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 3nwa_1_B DATA FIRST_RESID 103 DATA SEQUENCE DIKAENTDAN FYVcPPPTGA TVVQFEQPRR cPTRPEGQNY TEGIAVVFKE DATA SEQUENCE NIAPYKFKAT MYYKDVTVSQ VRFGHRYSQF MGIFEDRAPV PFEEVIDKIN DATA SEQUENCE AKGVcRSTAK YVRNNLETTA FHRDDHETDM ELKPANAATR TSRGWHTTDL DATA SEQUENCE KYNPSRVEAF HRYGTTVNcI VEEVDARSVY PYDEFVLATG DFVYMSPFYG DATA SEQUENCE YREGSHTEHT SYAADRFKQV DGFYARDLTT KARATAPTTR NLLTTPKFTV DATA SEQUENCE AWDWVPKRPS VcTMTKWQEV DEMLRSEYGG SFRFSSDAIS TTFTTNLTEY DATA SEQUENCE PLSRVDLGDc IGKDARDAMD RIFARRYNAT HIKVGQPQYY LANGGFLIAY DATA SEQUENCE QPLLSNTLAE LYVREHLREQ SRKPXXXXXX XXXXXXXXXV ERIKTTSSIE DATA SEQUENCE FARLQFTYNH IQRHVNDMLG RVAIAWcELQ NHELTLWNEA RKLNPNAIAS DATA SEQUENCE VTVGRRVSAR MLGDVMAVST cVPVAADNVI VQNSMRISSR PGAcYSRPLV DATA SEQUENCE SFRYEDQGPL VEGQLGENNE LRLTRDAIEP cTVGHRRYFT FGGGYVYFEE DATA SEQUENCE YAYSHQLSRA DITTVSTFID LNITMLEDHE FVPLEVYTRH EIKDSGLLDY DATA SEQUENCE TEVQRRNQLH DLRFADIDTV IH 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 103 D HA 0.000 nan 4.640 nan 0.000 0.175 103 D C 0.000 176.277 176.300 -0.039 0.000 2.045 103 D CA 0.000 53.976 54.000 -0.040 0.000 0.868 103 D CB 0.000 40.765 40.800 -0.058 0.000 0.688 104 I N 2.818 123.336 120.570 -0.087 0.000 2.389 104 I HA 0.185 4.355 4.170 0.000 0.000 0.295 104 I C 0.015 176.168 176.117 0.059 0.000 1.117 104 I CA 0.365 61.613 61.300 -0.086 0.000 1.317 104 I CB 0.354 38.145 38.000 -0.347 0.000 1.431 104 I HN 0.025 nan 8.210 nan 0.000 0.521 105 K N 4.470 124.942 120.400 0.121 0.000 2.185 105 K HA 0.707 5.027 4.320 0.000 0.000 0.240 105 K C -0.081 176.679 176.600 0.267 0.000 0.983 105 K CA -0.875 55.520 56.287 0.179 0.000 0.873 105 K CB 1.747 34.294 32.500 0.078 0.000 1.118 105 K HN 0.587 nan 8.250 nan 0.000 0.441 106 A N 1.532 124.441 122.820 0.149 0.000 2.488 106 A HA 0.023 4.343 4.320 0.000 0.000 0.249 106 A C 0.549 178.152 177.584 0.032 0.000 1.083 106 A CA 0.076 52.078 52.037 -0.060 0.000 0.768 106 A CB -0.001 18.579 19.000 -0.699 0.000 1.017 106 A HN 0.863 nan 8.150 nan 0.000 0.496 107 E N 1.846 122.114 120.200 0.112 0.000 2.158 107 E HA -0.072 4.278 4.350 0.000 0.000 0.191 107 E C 0.147 176.773 176.600 0.044 0.000 0.982 107 E CA 0.295 56.754 56.400 0.098 0.000 0.823 107 E CB 0.053 29.842 29.700 0.149 0.000 0.766 107 E HN 0.670 nan 8.360 nan 0.000 0.468 108 N N 2.076 120.783 118.700 0.011 0.000 3.124 108 N HA -0.003 4.737 4.740 0.000 0.000 0.284 108 N C 0.480 175.959 175.510 -0.052 0.000 1.209 108 N CA 0.135 53.173 53.050 -0.019 0.000 1.149 108 N CB 0.719 39.188 38.487 -0.030 0.000 1.434 108 N HN 0.159 nan 8.380 nan 0.000 0.529 109 T N -2.225 112.314 114.554 -0.026 0.000 2.848 109 T HA -0.162 4.188 4.350 0.000 0.000 0.269 109 T C 0.546 175.227 174.700 -0.032 0.000 1.081 109 T CA 0.967 63.053 62.100 -0.023 0.000 1.125 109 T CB 0.001 68.866 68.868 -0.005 0.000 0.848 109 T HN 0.232 nan 8.240 nan 0.000 0.503 110 D N 2.299 122.675 120.400 -0.040 0.000 2.856 110 D HA 0.582 5.222 4.640 0.000 0.000 0.242 110 D C 0.410 176.669 176.300 -0.068 0.000 1.226 110 D CA 0.067 54.042 54.000 -0.041 0.000 0.855 110 D CB -0.281 40.502 40.800 -0.029 0.000 1.065 110 D HN 0.658 nan 8.370 nan 0.000 0.462 111 A N 0.227 122.990 122.820 -0.095 0.000 2.524 111 A HA 0.600 4.920 4.320 0.000 0.000 0.289 111 A C -0.703 176.768 177.584 -0.188 0.000 1.248 111 A CA -0.777 51.162 52.037 -0.163 0.000 0.712 111 A CB 1.949 20.790 19.000 -0.265 0.000 1.312 111 A HN 0.094 nan 8.150 nan 0.000 0.441 112 N N -0.472 118.045 118.700 -0.305 0.000 2.225 112 N HA 0.654 5.394 4.740 0.000 0.000 0.298 112 N C -2.028 173.082 175.510 -0.667 0.000 1.076 112 N CA -0.085 52.743 53.050 -0.370 0.000 0.792 112 N CB 1.438 39.743 38.487 -0.303 0.000 1.498 112 N HN 0.405 nan 8.380 nan 0.000 0.474 113 F N 1.710 121.342 119.950 -0.531 0.000 2.507 113 F HA 0.489 5.016 4.527 0.000 0.000 0.327 113 F C -0.559 174.808 175.800 -0.721 0.000 1.068 113 F CA -0.463 57.264 58.000 -0.453 0.000 0.965 113 F CB 1.159 39.977 39.000 -0.303 0.000 1.192 113 F HN 0.328 nan 8.300 nan 0.000 0.476 114 Y N 0.918 121.256 120.300 0.063 0.000 2.346 114 Y HA 0.508 5.058 4.550 0.000 0.000 0.332 114 Y C -0.648 175.234 175.900 -0.029 0.000 0.985 114 Y CA -1.232 56.874 58.100 0.010 0.000 1.112 114 Y CB 1.553 40.018 38.460 0.009 0.000 1.170 114 Y HN 0.166 nan 8.280 nan 0.000 0.447 115 V N 3.420 123.370 119.914 0.062 0.000 2.389 115 V HA 0.110 4.230 4.120 0.000 0.000 0.264 115 V C -0.186 175.989 176.094 0.135 0.000 1.049 115 V CA -0.463 61.864 62.300 0.045 0.000 0.932 115 V CB 0.083 31.952 31.823 0.077 0.000 1.011 115 V HN 0.889 nan 8.190 nan 0.000 0.475 116 c N 8.121 126.788 118.600 0.112 0.000 2.223 116 c HA 0.412 4.982 4.570 0.000 0.000 0.324 116 c C -1.911 172.235 174.090 0.093 0.000 1.196 116 c CA -1.487 54.904 56.329 0.102 0.000 1.628 116 c CB 0.164 42.723 42.510 0.081 0.000 2.229 116 c HN 0.651 nan 8.230 nan 0.000 0.486 117 P HA 0.132 nan 4.420 nan 0.000 0.267 117 P C -2.568 174.769 177.300 0.062 0.000 1.200 117 P CA -0.685 62.463 63.100 0.081 0.000 0.772 117 P CB -0.158 31.584 31.700 0.070 0.000 0.855 118 P HA 0.138 nan 4.420 nan 0.000 0.266 118 P C -2.332 174.990 177.300 0.036 0.000 1.215 118 P CA -1.197 61.929 63.100 0.044 0.000 0.763 118 P CB -0.813 30.912 31.700 0.041 0.000 0.806 119 P HA -0.076 nan 4.420 nan 0.000 0.256 119 P C 1.321 178.634 177.300 0.020 0.000 1.189 119 P CA 0.584 63.698 63.100 0.025 0.000 0.808 119 P CB -0.171 31.541 31.700 0.020 0.000 0.793 120 T N 1.032 115.598 114.554 0.020 0.000 2.822 120 T HA -0.122 4.228 4.350 0.000 0.000 0.270 120 T C 1.538 176.245 174.700 0.011 0.000 1.064 120 T CA 1.433 63.543 62.100 0.016 0.000 1.131 120 T CB -0.904 67.973 68.868 0.016 0.000 0.858 120 T HN 0.580 nan 8.240 nan 0.000 0.483 121 G N 0.073 108.879 108.800 0.009 0.000 2.176 121 G HA2 -0.105 3.855 3.960 0.000 0.000 0.232 121 G HA3 -0.105 3.855 3.960 0.000 0.000 0.232 121 G C 1.115 176.017 174.900 0.003 0.000 0.986 121 G CA 0.491 45.593 45.100 0.004 0.000 0.643 121 G HN 1.169 nan 8.290 nan 0.000 0.522 122 A N -0.584 122.240 122.820 0.006 0.000 1.969 122 A HA 0.428 4.749 4.320 0.000 0.000 0.218 122 A C 1.350 178.936 177.584 0.004 0.000 1.169 122 A CA 2.267 54.306 52.037 0.005 0.000 0.635 122 A CB -0.003 19.001 19.000 0.007 0.000 0.810 122 A HN 0.877 nan 8.150 nan 0.000 0.445 123 T N 0.174 114.730 114.554 0.004 0.000 2.791 123 T HA 0.541 4.891 4.350 0.000 0.000 0.288 123 T C -0.961 173.738 174.700 -0.001 0.000 0.999 123 T CA -0.295 61.807 62.100 0.003 0.000 0.952 123 T CB 1.538 70.410 68.868 0.007 0.000 0.938 123 T HN -0.051 nan 8.240 nan 0.000 0.444 124 V N 4.539 124.450 119.914 -0.005 0.000 2.555 124 V HA 0.765 4.885 4.120 0.000 0.000 0.302 124 V C -0.048 176.038 176.094 -0.014 0.000 1.038 124 V CA -0.686 61.605 62.300 -0.014 0.000 0.887 124 V CB 1.868 33.680 31.823 -0.018 0.000 0.991 124 V HN 0.797 nan 8.190 nan 0.000 0.434 125 V N 2.908 122.807 119.914 -0.024 0.000 3.074 125 V HA 0.825 4.945 4.120 0.000 0.000 0.314 125 V C -0.919 175.145 176.094 -0.050 0.000 1.117 125 V CA -0.733 61.558 62.300 -0.015 0.000 1.014 125 V CB 2.006 33.837 31.823 0.012 0.000 1.057 125 V HN 0.971 nan 8.190 nan 0.000 0.438 126 Q N 1.224 121.012 119.800 -0.021 0.000 2.413 126 Q HA 0.581 4.921 4.340 0.000 0.000 0.276 126 Q C -1.292 174.761 176.000 0.087 0.000 1.099 126 Q CA -0.791 54.983 55.803 -0.049 0.000 0.814 126 Q CB 2.526 31.252 28.738 -0.019 0.000 1.379 126 Q HN 0.725 nan 8.270 nan 0.000 0.436 127 F N 0.876 120.817 119.950 -0.014 0.000 2.459 127 F HA 0.091 4.618 4.527 0.000 0.000 0.346 127 F C 1.080 176.867 175.800 -0.022 0.000 1.128 127 F CA -0.610 57.373 58.000 -0.028 0.000 1.268 127 F CB 0.850 39.839 39.000 -0.018 0.000 1.161 127 F HN 0.662 nan 8.300 nan 0.000 0.583 128 E N 2.506 122.803 120.200 0.162 0.000 2.360 128 E HA 0.023 4.373 4.350 0.000 0.000 0.269 128 E C -0.603 176.042 176.600 0.076 0.000 1.022 128 E CA -0.816 55.631 56.400 0.077 0.000 0.887 128 E CB 0.750 30.463 29.700 0.022 0.000 0.990 128 E HN 0.437 nan 8.360 nan 0.000 0.426 129 Q N 3.017 122.855 119.800 0.063 0.000 2.199 129 Q HA 0.354 4.694 4.340 0.000 0.000 0.232 129 Q C -2.181 173.844 176.000 0.042 0.000 0.969 129 Q CA -2.166 53.673 55.803 0.060 0.000 0.925 129 Q CB 0.112 28.883 28.738 0.055 0.000 1.198 129 Q HN 0.497 nan 8.270 nan 0.000 0.494 130 P HA -0.034 nan 4.420 nan 0.000 0.260 130 P C -0.383 176.938 177.300 0.034 0.000 1.172 130 P CA 0.590 63.715 63.100 0.043 0.000 0.760 130 P CB 0.396 32.129 31.700 0.055 0.000 0.773 131 R N 2.291 122.809 120.500 0.029 0.000 2.615 131 R HA 0.292 4.632 4.340 0.000 0.000 0.270 131 R C 0.578 176.895 176.300 0.027 0.000 1.081 131 R CA -0.681 55.435 56.100 0.027 0.000 1.154 131 R CB 0.354 30.670 30.300 0.028 0.000 1.063 131 R HN 0.336 nan 8.270 nan 0.000 0.519 132 R N 0.987 121.501 120.500 0.023 0.000 2.401 132 R HA 0.062 4.402 4.340 0.000 0.000 0.299 132 R C -1.052 175.261 176.300 0.021 0.000 1.064 132 R CA 0.192 56.304 56.100 0.021 0.000 1.000 132 R CB 0.263 30.572 30.300 0.016 0.000 0.973 132 R HN 0.549 nan 8.270 nan 0.000 0.438 133 c N 7.177 125.789 118.600 0.020 0.000 2.358 133 c HA 0.518 5.088 4.570 0.000 0.000 0.342 133 c C -1.638 172.459 174.090 0.012 0.000 1.234 133 c CA -1.236 55.105 56.329 0.019 0.000 1.969 133 c CB 0.843 43.362 42.510 0.015 0.000 2.346 133 c HN 0.797 nan 8.230 nan 0.000 0.525 134 P HA 0.296 nan 4.420 nan 0.000 0.274 134 P C -0.351 176.947 177.300 -0.003 0.000 1.264 134 P CA 0.049 63.149 63.100 0.001 0.000 0.795 134 P CB 0.287 31.987 31.700 -0.001 0.000 1.064 135 T N -3.104 111.444 114.554 -0.010 0.000 2.907 135 T HA 0.487 4.838 4.350 0.000 0.000 0.292 135 T C -0.146 174.541 174.700 -0.021 0.000 1.043 135 T CA -1.205 60.888 62.100 -0.013 0.000 1.003 135 T CB 1.137 69.998 68.868 -0.012 0.000 1.084 135 T HN 0.179 nan 8.240 nan 0.000 0.483 136 R N 2.104 122.590 120.500 -0.023 0.000 2.502 136 R HA 0.211 4.551 4.340 0.000 0.000 0.292 136 R C -2.098 174.180 176.300 -0.035 0.000 0.998 136 R CA -0.897 55.184 56.100 -0.032 0.000 1.056 136 R CB -0.375 29.907 30.300 -0.030 0.000 0.939 136 R HN 0.509 nan 8.270 nan 0.000 0.411 137 P HA -0.107 nan 4.420 nan 0.000 0.267 137 P C -0.555 176.714 177.300 -0.051 0.000 1.201 137 P CA 0.224 63.294 63.100 -0.051 0.000 0.775 137 P CB 0.435 32.095 31.700 -0.066 0.000 0.854 138 E N 0.865 121.034 120.200 -0.052 0.000 2.493 138 E HA 0.081 4.431 4.350 0.000 0.000 0.255 138 E C 0.751 177.311 176.600 -0.068 0.000 0.999 138 E CA 0.112 56.481 56.400 -0.052 0.000 0.934 138 E CB 0.255 29.925 29.700 -0.050 0.000 0.940 138 E HN 0.516 nan 8.360 nan 0.000 0.473 139 G N 3.432 112.198 108.800 -0.057 0.000 2.313 139 G HA2 -0.034 3.927 3.960 0.000 0.000 0.250 139 G HA3 -0.034 3.927 3.960 0.000 0.000 0.250 139 G C 0.048 174.887 174.900 -0.102 0.000 1.281 139 G CA -0.293 44.768 45.100 -0.066 0.000 0.917 139 G HN 0.429 nan 8.290 nan 0.000 0.501 140 Q N 2.028 121.730 119.800 -0.164 0.000 2.313 140 Q HA 0.076 4.416 4.340 0.000 0.000 0.266 140 Q C 0.136 175.931 176.000 -0.341 0.000 0.989 140 Q CA -0.130 55.509 55.803 -0.272 0.000 0.890 140 Q CB 0.437 28.941 28.738 -0.389 0.000 1.200 140 Q HN 0.556 nan 8.270 nan 0.000 0.396 141 N N 3.542 122.077 118.700 -0.276 0.000 2.499 141 N HA 0.169 4.909 4.740 0.000 0.000 0.281 141 N C -1.221 174.115 175.510 -0.291 0.000 1.098 141 N CA 0.033 52.970 53.050 -0.188 0.000 0.979 141 N CB 0.619 39.067 38.487 -0.064 0.000 1.121 141 N HN 0.528 nan 8.380 nan 0.000 0.466 142 Y N 0.075 120.399 120.300 0.041 0.000 2.341 142 Y HA 0.228 4.778 4.550 0.000 0.000 0.337 142 Y C 0.751 176.692 175.900 0.070 0.000 1.014 142 Y CA -0.654 57.477 58.100 0.051 0.000 1.111 142 Y CB 1.499 39.992 38.460 0.055 0.000 1.194 142 Y HN 0.253 nan 8.280 nan 0.000 0.462 143 T N 3.678 118.369 114.554 0.228 0.000 2.771 143 T HA 0.179 4.529 4.350 0.000 0.000 0.291 143 T C -0.202 174.652 174.700 0.256 0.000 0.954 143 T CA -0.786 61.437 62.100 0.206 0.000 1.045 143 T CB 0.349 69.331 68.868 0.190 0.000 0.917 143 T HN 0.533 nan 8.240 nan 0.000 0.484 144 E N 1.167 121.485 120.200 0.197 0.000 2.366 144 E HA 0.542 4.892 4.350 0.000 0.000 0.266 144 E C 0.334 176.974 176.600 0.067 0.000 1.051 144 E CA -0.387 56.101 56.400 0.146 0.000 0.884 144 E CB 0.955 30.706 29.700 0.085 0.000 1.006 144 E HN 0.807 nan 8.360 nan 0.000 0.417 145 G N 1.477 110.276 108.800 -0.001 0.000 2.601 145 G HA2 0.425 4.385 3.960 0.000 0.000 0.291 145 G HA3 0.425 4.385 3.960 0.000 0.000 0.291 145 G C -1.128 173.612 174.900 -0.267 0.000 1.456 145 G CA -0.831 44.010 45.100 -0.431 0.000 0.804 145 G HN 0.383 nan 8.290 nan 0.000 0.499 146 I N 0.531 120.874 120.570 -0.379 0.000 2.428 146 I HA 0.652 4.823 4.170 0.000 0.000 0.296 146 I C 0.473 176.544 176.117 -0.077 0.000 0.985 146 I CA -0.748 60.486 61.300 -0.110 0.000 1.260 146 I CB 1.772 39.748 38.000 -0.039 0.000 1.389 146 I HN 0.672 nan 8.210 nan 0.000 0.484 147 A N 5.376 128.237 122.820 0.068 0.000 2.475 147 A HA 0.800 5.120 4.320 0.000 0.000 0.301 147 A C -1.162 176.431 177.584 0.016 0.000 1.059 147 A CA -0.503 51.606 52.037 0.121 0.000 0.710 147 A CB 1.906 21.053 19.000 0.244 0.000 1.288 147 A HN 0.409 nan 8.150 nan 0.000 0.408 148 V N 2.085 122.000 119.914 0.001 0.000 2.444 148 V HA 0.483 4.603 4.120 0.000 0.000 0.294 148 V C -0.413 175.568 176.094 -0.189 0.000 1.022 148 V CA -0.568 61.656 62.300 -0.127 0.000 0.850 148 V CB 1.453 33.214 31.823 -0.104 0.000 0.992 148 V HN 0.693 nan 8.190 nan 0.000 0.426 149 V N 5.214 124.957 119.914 -0.285 0.000 2.472 149 V HA 0.582 4.702 4.120 0.000 0.000 0.290 149 V C -0.568 175.425 176.094 -0.169 0.000 1.037 149 V CA -0.444 61.777 62.300 -0.132 0.000 0.908 149 V CB 1.401 33.179 31.823 -0.075 0.000 0.985 149 V HN 0.648 nan 8.190 nan 0.000 0.454 150 F N 3.172 123.241 119.950 0.199 0.000 2.522 150 F HA 0.693 5.220 4.527 0.000 0.000 0.324 150 F C 0.287 176.182 175.800 0.158 0.000 1.077 150 F CA -0.830 57.282 58.000 0.187 0.000 0.944 150 F CB 1.900 40.961 39.000 0.102 0.000 1.175 150 F HN 0.461 nan 8.300 nan 0.000 0.468 151 K N 0.453 121.001 120.400 0.247 0.000 2.340 151 K HA 0.444 4.764 4.320 0.000 0.000 0.244 151 K C -0.730 175.852 176.600 -0.030 0.000 0.973 151 K CA -0.987 55.290 56.287 -0.016 0.000 0.828 151 K CB 2.133 34.541 32.500 -0.153 0.000 1.226 151 K HN 0.687 nan 8.250 nan 0.000 0.437 152 E N 1.722 121.839 120.200 -0.138 0.000 2.608 152 E HA -0.163 4.187 4.350 0.000 0.000 0.259 152 E C -0.600 175.965 176.600 -0.058 0.000 0.951 152 E CA -0.029 56.305 56.400 -0.111 0.000 0.945 152 E CB 0.446 30.051 29.700 -0.158 0.000 0.916 152 E HN 0.479 nan 8.360 nan 0.000 0.477 153 N N 4.208 122.896 118.700 -0.019 0.000 2.458 153 N HA 0.063 4.803 4.740 0.000 0.000 0.270 153 N C 0.299 175.819 175.510 0.017 0.000 1.102 153 N CA -0.033 53.033 53.050 0.027 0.000 0.967 153 N CB 0.573 39.105 38.487 0.075 0.000 1.078 153 N HN 0.611 nan 8.380 nan 0.000 0.471 154 I N 0.221 120.804 120.570 0.023 0.000 4.240 154 I HA 0.501 4.671 4.170 0.000 0.000 0.331 154 I C 0.356 176.502 176.117 0.049 0.000 1.381 154 I CA -0.603 60.709 61.300 0.020 0.000 1.136 154 I CB 0.544 38.537 38.000 -0.012 0.000 1.137 154 I HN 0.245 nan 8.210 nan 0.000 0.411 155 A N 2.286 125.149 122.820 0.071 0.000 2.327 155 A HA 0.762 5.082 4.320 0.000 0.000 0.283 155 A C -2.445 175.218 177.584 0.132 0.000 1.127 155 A CA -1.215 50.870 52.037 0.079 0.000 0.810 155 A CB -0.293 18.748 19.000 0.068 0.000 1.066 155 A HN 0.128 nan 8.150 nan 0.000 0.492 156 P HA 0.156 nan 4.420 nan 0.000 0.274 156 P C -0.747 176.680 177.300 0.212 0.000 1.231 156 P CA -0.041 63.176 63.100 0.195 0.000 0.790 156 P CB 0.199 31.970 31.700 0.118 0.000 0.951 157 Y N 2.823 123.231 120.300 0.180 0.000 2.632 157 Y HA 0.085 4.635 4.550 0.000 0.000 0.329 157 Y C 0.001 175.961 175.900 0.100 0.000 1.174 157 Y CA 0.500 58.647 58.100 0.080 0.000 1.469 157 Y CB 0.171 38.594 38.460 -0.060 0.000 1.242 157 Y HN 0.202 nan 8.280 nan 0.000 0.540 158 K N 8.061 128.142 120.400 -0.532 0.000 2.270 158 K HA 0.557 4.877 4.320 0.000 0.000 0.255 158 K C -1.445 174.865 176.600 -0.483 0.000 0.936 158 K CA -0.697 55.352 56.287 -0.397 0.000 0.809 158 K CB 1.854 34.228 32.500 -0.210 0.000 1.131 158 K HN 0.642 nan 8.250 nan 0.000 0.427 159 F N -1.934 117.684 119.950 -0.553 0.000 2.711 159 F HA 0.688 5.215 4.527 0.000 0.000 0.313 159 F C -1.007 174.653 175.800 -0.233 0.000 1.141 159 F CA -1.329 56.424 58.000 -0.412 0.000 0.941 159 F CB 0.742 39.463 39.000 -0.466 0.000 1.349 159 F HN 0.326 nan 8.300 nan 0.000 0.464 160 K N 0.875 121.223 120.400 -0.087 0.000 2.143 160 K HA 0.931 5.251 4.320 0.000 0.000 0.272 160 K C -0.844 175.727 176.600 -0.049 0.000 1.001 160 K CA -0.218 55.999 56.287 -0.117 0.000 0.915 160 K CB 0.868 33.380 32.500 0.020 0.000 1.047 160 K HN 1.580 nan 8.250 nan 0.000 0.458 161 A N 0.655 123.406 122.820 -0.117 0.000 2.530 161 A HA 0.930 5.250 4.320 0.000 0.000 0.288 161 A C -0.509 177.106 177.584 0.051 0.000 1.172 161 A CA -0.519 51.547 52.037 0.047 0.000 0.733 161 A CB 1.523 20.478 19.000 -0.075 0.000 1.320 161 A HN 0.726 nan 8.150 nan 0.000 0.419 162 T N 1.286 115.904 114.554 0.106 0.000 2.928 162 T HA 0.525 4.876 4.350 0.000 0.000 0.296 162 T C -0.527 174.034 174.700 -0.231 0.000 1.000 162 T CA -0.203 61.850 62.100 -0.078 0.000 0.989 162 T CB 1.009 69.839 68.868 -0.064 0.000 1.005 162 T HN 0.565 nan 8.240 nan 0.000 0.442 163 M N 2.907 122.313 119.600 -0.324 0.000 2.367 163 M HA 0.526 5.006 4.480 0.000 0.000 0.339 163 M C -1.373 174.639 176.300 -0.480 0.000 1.177 163 M CA -0.587 54.605 55.300 -0.181 0.000 1.068 163 M CB 1.067 33.657 32.600 -0.017 0.000 1.602 163 M HN 0.599 nan 8.290 nan 0.000 0.457 164 Y N 2.656 123.103 120.300 0.244 0.000 2.327 164 Y HA 0.543 5.093 4.550 0.000 0.000 0.325 164 Y C -0.911 175.131 175.900 0.235 0.000 0.999 164 Y CA -1.103 57.076 58.100 0.133 0.000 1.195 164 Y CB 0.731 39.259 38.460 0.113 0.000 1.132 164 Y HN 0.601 nan 8.280 nan 0.000 0.455 165 Y N -0.760 119.655 120.300 0.191 0.000 2.638 165 Y HA 0.782 5.332 4.550 0.000 0.000 0.335 165 Y C -1.765 174.174 175.900 0.066 0.000 1.155 165 Y CA -2.047 56.126 58.100 0.121 0.000 1.046 165 Y CB 1.584 40.120 38.460 0.127 0.000 1.303 165 Y HN 0.292 nan 8.280 nan 0.000 0.460 166 K N 1.313 121.817 120.400 0.173 0.000 2.270 166 K HA 0.297 4.617 4.320 0.000 0.000 0.255 166 K C -1.725 174.976 176.600 0.168 0.000 0.936 166 K CA -1.025 55.315 56.287 0.088 0.000 0.809 166 K CB 1.862 34.385 32.500 0.039 0.000 1.131 166 K HN 0.578 nan 8.250 nan 0.000 0.427 167 D N 2.377 122.870 120.400 0.154 0.000 2.338 167 D HA 0.091 4.731 4.640 0.000 0.000 0.255 167 D C -0.561 175.794 176.300 0.092 0.000 1.237 167 D CA 0.025 54.101 54.000 0.125 0.000 0.883 167 D CB 0.988 41.855 40.800 0.113 0.000 1.087 167 D HN 0.067 nan 8.370 nan 0.000 0.485 168 V N 3.345 123.296 119.914 0.060 0.000 2.370 168 V HA 0.364 4.484 4.120 0.000 0.000 0.283 168 V C 0.428 176.562 176.094 0.066 0.000 1.023 168 V CA -0.386 61.976 62.300 0.104 0.000 0.857 168 V CB 1.829 33.740 31.823 0.147 0.000 0.985 168 V HN 0.450 nan 8.190 nan 0.000 0.443 169 T N 4.339 118.979 114.554 0.143 0.000 2.848 169 T HA 0.583 4.934 4.350 0.000 0.000 0.285 169 T C -0.586 174.271 174.700 0.262 0.000 0.995 169 T CA -0.446 61.738 62.100 0.139 0.000 0.970 169 T CB 1.787 70.722 68.868 0.112 0.000 0.976 169 T HN 0.299 nan 8.240 nan 0.000 0.441 170 V N 3.773 123.899 119.914 0.353 0.000 2.376 170 V HA 0.493 4.613 4.120 0.000 0.000 0.287 170 V C 0.265 176.566 176.094 0.345 0.000 1.015 170 V CA -0.842 61.692 62.300 0.391 0.000 0.834 170 V CB 1.468 33.562 31.823 0.453 0.000 1.001 170 V HN 1.067 nan 8.190 nan 0.000 0.428 171 S N 4.146 120.012 115.700 0.278 0.000 2.585 171 S HA 0.646 5.116 4.470 0.000 0.000 0.277 171 S C -0.512 174.202 174.600 0.189 0.000 1.241 171 S CA -0.658 57.688 58.200 0.243 0.000 1.041 171 S CB 1.723 65.085 63.200 0.269 0.000 0.987 171 S HN 0.770 nan 8.310 nan 0.000 0.512 172 Q N 1.993 121.855 119.800 0.103 0.000 2.333 172 Q HA 0.608 4.948 4.340 0.000 0.000 0.265 172 Q C -1.406 174.475 176.000 -0.197 0.000 0.989 172 Q CA -0.796 54.871 55.803 -0.227 0.000 0.842 172 Q CB 1.276 29.883 28.738 -0.218 0.000 1.262 172 Q HN 0.711 nan 8.270 nan 0.000 0.451 173 V N 2.795 122.507 119.914 -0.336 0.000 3.019 173 V HA 0.772 4.892 4.120 0.000 0.000 0.317 173 V C -0.604 175.238 176.094 -0.419 0.000 1.094 173 V CA -1.054 60.989 62.300 -0.428 0.000 1.000 173 V CB 1.772 33.304 31.823 -0.486 0.000 1.060 173 V HN 0.956 nan 8.190 nan 0.000 0.443 174 R N 0.801 120.939 120.500 -0.603 0.000 2.604 174 R HA 0.667 5.007 4.340 0.000 0.000 0.270 174 R C -2.358 173.519 176.300 -0.706 0.000 1.052 174 R CA -0.465 55.378 56.100 -0.428 0.000 0.902 174 R CB 1.383 31.533 30.300 -0.251 0.000 1.233 174 R HN 0.438 nan 8.270 nan 0.000 0.455 175 F N 1.522 121.292 119.950 -0.299 0.000 2.482 175 F HA 0.745 5.272 4.527 0.000 0.000 0.331 175 F C 0.902 176.420 175.800 -0.469 0.000 1.115 175 F CA -0.219 57.545 58.000 -0.394 0.000 0.955 175 F CB 2.591 41.421 39.000 -0.284 0.000 1.136 175 F HN 0.821 nan 8.300 nan 0.000 0.452 176 G N -1.046 107.321 108.800 -0.721 0.000 2.601 176 G HA2 0.502 4.462 3.960 0.000 0.000 0.317 176 G HA3 0.502 4.462 3.960 0.000 0.000 0.317 176 G C -1.057 173.689 174.900 -0.256 0.000 1.246 176 G CA -0.636 44.101 45.100 -0.605 0.000 1.012 176 G HN 0.995 nan 8.290 nan 0.000 0.494 177 H N -0.622 118.454 119.070 0.010 0.000 3.082 177 H HA 0.502 5.058 4.556 0.000 0.000 0.275 177 H C 1.218 176.629 175.328 0.140 0.000 1.032 177 H CA 0.514 56.599 56.048 0.062 0.000 1.477 177 H CB -0.479 29.328 29.762 0.074 0.000 1.520 177 H HN 0.757 nan 8.280 nan 0.000 0.521 178 R N 0.189 120.740 120.500 0.084 0.000 3.423 178 R HA -0.155 4.185 4.340 0.000 0.000 0.271 178 R C -1.005 175.428 176.300 0.222 0.000 1.093 178 R CA 1.316 57.485 56.100 0.115 0.000 0.730 178 R CB -2.535 27.823 30.300 0.097 0.000 1.190 178 R HN 1.347 nan 8.270 nan 0.000 0.437 179 Y N -4.162 116.152 120.300 0.024 0.000 2.721 179 Y HA 0.519 5.069 4.550 0.000 0.000 0.357 179 Y C -1.623 174.242 175.900 -0.059 0.000 1.183 179 Y CA -0.847 57.242 58.100 -0.017 0.000 1.231 179 Y CB 0.940 39.379 38.460 -0.034 0.000 1.390 179 Y HN -0.019 nan 8.280 nan 0.000 0.488 180 S N 2.968 118.545 115.700 -0.205 0.000 2.569 180 S HA 0.635 5.105 4.470 0.000 0.000 0.280 180 S C -1.702 172.689 174.600 -0.348 0.000 1.111 180 S CA -0.988 56.869 58.200 -0.572 0.000 0.887 180 S CB 2.330 65.040 63.200 -0.817 0.000 1.095 180 S HN 0.779 nan 8.310 nan 0.000 0.476 181 Q N 0.653 120.181 119.800 -0.453 0.000 2.359 181 Q HA 0.530 4.870 4.340 0.000 0.000 0.274 181 Q C -1.796 173.975 176.000 -0.381 0.000 1.074 181 Q CA -0.709 54.946 55.803 -0.248 0.000 0.810 181 Q CB 1.286 30.020 28.738 -0.008 0.000 1.342 181 Q HN 0.603 nan 8.270 nan 0.000 0.427 182 F N 3.344 123.222 119.950 -0.120 0.000 2.472 182 F HA 0.107 4.635 4.527 0.000 0.000 0.364 182 F C 1.230 176.983 175.800 -0.079 0.000 1.090 182 F CA -0.089 57.844 58.000 -0.111 0.000 1.188 182 F CB 0.736 39.695 39.000 -0.069 0.000 1.105 182 F HN 0.557 nan 8.300 nan 0.000 0.536 183 M N 2.003 121.648 119.600 0.076 0.000 2.501 183 M HA 0.274 4.754 4.480 0.000 0.000 0.261 183 M C 0.829 177.180 176.300 0.085 0.000 1.129 183 M CA 0.313 55.639 55.300 0.043 0.000 1.126 183 M CB -0.578 32.005 32.600 -0.028 0.000 1.359 183 M HN 0.608 nan 8.290 nan 0.000 0.471 184 G N 0.334 109.211 108.800 0.130 0.000 2.579 184 G HA2 0.626 4.586 3.960 0.000 0.000 0.292 184 G HA3 0.626 4.586 3.960 0.000 0.000 0.292 184 G C -1.694 173.292 174.900 0.143 0.000 1.484 184 G CA -0.673 44.505 45.100 0.129 0.000 0.813 184 G HN 0.128 nan 8.290 nan 0.000 0.515 185 I N 1.043 121.672 120.570 0.099 0.000 2.529 185 I HA 0.276 4.446 4.170 0.000 0.000 0.284 185 I C -1.144 175.069 176.117 0.160 0.000 1.088 185 I CA -0.561 60.786 61.300 0.078 0.000 1.062 185 I CB 2.047 39.977 38.000 -0.116 0.000 1.218 185 I HN 0.437 nan 8.210 nan 0.000 0.442 186 F N 6.358 126.354 119.950 0.077 0.000 2.438 186 F HA 0.448 4.975 4.527 0.000 0.000 0.356 186 F C 0.089 175.935 175.800 0.076 0.000 1.099 186 F CA 0.069 58.119 58.000 0.084 0.000 1.185 186 F CB 0.647 39.717 39.000 0.116 0.000 1.115 186 F HN 0.421 nan 8.300 nan 0.000 0.526 187 E N 3.955 123.837 120.200 -0.530 0.000 2.248 187 E HA 0.367 4.717 4.350 0.000 0.000 0.267 187 E C -1.625 174.573 176.600 -0.670 0.000 0.877 187 E CA -0.861 55.255 56.400 -0.473 0.000 0.759 187 E CB 1.999 31.573 29.700 -0.208 0.000 1.182 187 E HN 0.516 nan 8.360 nan 0.000 0.418 188 D N 0.720 120.842 120.400 -0.463 0.000 2.599 188 D HA 0.341 4.981 4.640 0.000 0.000 0.252 188 D C -1.344 174.873 176.300 -0.139 0.000 1.232 188 D CA -0.634 53.190 54.000 -0.293 0.000 0.819 188 D CB 1.571 42.220 40.800 -0.253 0.000 1.401 188 D HN 0.229 nan 8.370 nan 0.000 0.429 189 R N 0.448 120.882 120.500 -0.111 0.000 2.514 189 R HA 0.851 5.191 4.340 0.000 0.000 0.301 189 R C -0.931 175.237 176.300 -0.220 0.000 0.962 189 R CA -0.923 55.119 56.100 -0.097 0.000 0.882 189 R CB 2.021 32.238 30.300 -0.139 0.000 1.143 189 R HN 0.353 nan 8.270 nan 0.000 0.452 190 A N 4.391 127.039 122.820 -0.286 0.000 2.365 190 A HA 0.650 4.970 4.320 0.000 0.000 0.318 190 A C -2.578 174.908 177.584 -0.163 0.000 1.091 190 A CA -2.020 49.619 52.037 -0.664 0.000 0.763 190 A CB 1.451 19.714 19.000 -1.229 0.000 1.248 190 A HN 0.363 nan 8.150 nan 0.000 0.442 191 P HA 0.263 nan 4.420 nan 0.000 0.271 191 P C -0.441 176.925 177.300 0.110 0.000 1.218 191 P CA -0.129 63.032 63.100 0.103 0.000 0.780 191 P CB 0.760 32.511 31.700 0.086 0.000 0.901 192 V N 5.737 125.750 119.914 0.166 0.000 2.530 192 V HA 0.192 4.312 4.120 0.000 0.000 0.282 192 V C -1.910 174.241 176.094 0.096 0.000 1.048 192 V CA -1.539 60.830 62.300 0.115 0.000 0.997 192 V CB 0.547 32.442 31.823 0.120 0.000 0.987 192 V HN 0.556 nan 8.190 nan 0.000 0.477 193 P HA 0.065 nan 4.420 nan 0.000 0.269 193 P C 0.633 177.977 177.300 0.072 0.000 1.209 193 P CA -0.253 62.904 63.100 0.095 0.000 0.776 193 P CB 0.391 32.139 31.700 0.080 0.000 0.876 194 F N 3.597 123.523 119.950 -0.040 0.000 2.053 194 F HA -0.357 4.170 4.527 0.000 0.000 0.295 194 F C 1.679 177.432 175.800 -0.079 0.000 1.102 194 F CA 2.271 60.223 58.000 -0.079 0.000 1.225 194 F CB -0.919 38.043 39.000 -0.063 0.000 0.961 194 F HN 0.335 nan 8.300 nan 0.000 0.495 195 E N 0.100 120.102 120.200 -0.330 0.000 2.085 195 E HA -0.232 4.118 4.350 0.000 0.000 0.194 195 E C 2.237 178.661 176.600 -0.292 0.000 0.994 195 E CA 1.610 57.740 56.400 -0.449 0.000 0.801 195 E CB -0.516 29.087 29.700 -0.162 0.000 0.743 195 E HN 0.742 nan 8.360 nan 0.000 0.453 196 E N 0.398 120.498 120.200 -0.168 0.000 2.106 196 E HA -0.142 4.208 4.350 0.000 0.000 0.192 196 E C 1.940 178.442 176.600 -0.164 0.000 0.984 196 E CA 0.849 57.173 56.400 -0.125 0.000 0.806 196 E CB 0.160 29.823 29.700 -0.062 0.000 0.750 196 E HN 0.089 nan 8.360 nan 0.000 0.458 197 V N 1.774 121.553 119.914 -0.225 0.000 2.255 197 V HA -0.301 3.819 4.120 0.000 0.000 0.247 197 V C 2.408 178.361 176.094 -0.235 0.000 1.051 197 V CA 1.483 63.595 62.300 -0.313 0.000 1.018 197 V CB -0.398 31.122 31.823 -0.505 0.000 0.641 197 V HN 0.366 nan 8.190 nan 0.000 0.445 198 I N -0.013 120.395 120.570 -0.270 0.000 2.110 198 I HA -0.145 4.025 4.170 0.000 0.000 0.236 198 I C 2.345 178.377 176.117 -0.140 0.000 1.068 198 I CA 1.692 62.887 61.300 -0.176 0.000 1.333 198 I CB -1.486 36.337 38.000 -0.295 0.000 1.054 198 I HN 0.322 nan 8.210 nan 0.000 0.402 199 D N 1.122 121.417 120.400 -0.175 0.000 2.078 199 D HA -0.150 4.490 4.640 0.000 0.000 0.193 199 D C 2.223 178.468 176.300 -0.092 0.000 0.990 199 D CA 1.301 55.228 54.000 -0.121 0.000 0.827 199 D CB -0.076 40.653 40.800 -0.120 0.000 0.975 199 D HN 0.188 nan 8.370 nan 0.000 0.451 200 K N 0.362 120.706 120.400 -0.093 0.000 1.995 200 K HA 0.079 4.399 4.320 0.000 0.000 0.207 200 K C 2.481 179.039 176.600 -0.070 0.000 1.041 200 K CA 0.395 56.639 56.287 -0.071 0.000 0.942 200 K CB -0.612 31.852 32.500 -0.060 0.000 0.731 200 K HN 0.213 nan 8.250 nan 0.000 0.439 201 I N 1.277 121.802 120.570 -0.075 0.000 2.130 201 I HA -0.244 3.926 4.170 0.000 0.000 0.234 201 I C 2.350 178.428 176.117 -0.066 0.000 1.067 201 I CA 1.356 62.617 61.300 -0.064 0.000 1.339 201 I CB -0.565 37.410 38.000 -0.043 0.000 1.073 201 I HN 0.200 nan 8.210 nan 0.000 0.405 202 N N 1.298 119.970 118.700 -0.047 0.000 2.137 202 N HA -0.201 4.540 4.740 0.000 0.000 0.190 202 N C 1.716 177.186 175.510 -0.066 0.000 1.017 202 N CA 1.865 54.901 53.050 -0.023 0.000 0.859 202 N CB -0.038 38.487 38.487 0.064 0.000 1.002 202 N HN 0.367 nan 8.380 nan 0.000 0.428 203 A N -0.039 122.739 122.820 -0.071 0.000 1.854 203 A HA 0.013 4.333 4.320 0.000 0.000 0.214 203 A C 1.800 179.339 177.584 -0.074 0.000 1.192 203 A CA 1.437 53.429 52.037 -0.076 0.000 0.611 203 A CB -0.097 18.861 19.000 -0.071 0.000 0.832 203 A HN 0.443 nan 8.150 nan 0.000 0.442 204 K N -2.158 118.199 120.400 -0.072 0.000 2.438 204 K HA 0.337 4.657 4.320 0.000 0.000 0.206 204 K C 0.662 177.217 176.600 -0.075 0.000 1.081 204 K CA 0.390 56.637 56.287 -0.067 0.000 1.053 204 K CB 0.747 33.214 32.500 -0.055 0.000 0.908 204 K HN 0.623 nan 8.250 nan 0.000 0.556 205 G N 2.361 111.107 108.800 -0.091 0.000 2.246 205 G HA2 -0.237 3.723 3.960 0.000 0.000 0.273 205 G HA3 -0.237 3.723 3.960 0.000 0.000 0.273 205 G C 0.028 174.877 174.900 -0.085 0.000 1.055 205 G CA 0.486 45.517 45.100 -0.114 0.000 0.851 205 G HN 0.284 nan 8.290 nan 0.000 0.500 206 V N -4.122 115.753 119.914 -0.065 0.000 3.040 206 V HA 0.903 5.023 4.120 0.000 0.000 0.312 206 V C 0.212 176.283 176.094 -0.038 0.000 1.115 206 V CA -1.016 61.256 62.300 -0.047 0.000 0.998 206 V CB 2.094 33.894 31.823 -0.039 0.000 1.042 206 V HN 0.701 nan 8.190 nan 0.000 0.433 207 c N 1.807 120.391 118.600 -0.028 0.000 2.707 207 c HA 0.682 5.252 4.570 0.000 0.000 0.313 207 c C 0.296 174.377 174.090 -0.016 0.000 1.209 207 c CA -0.571 55.747 56.329 -0.019 0.000 1.635 207 c CB 2.054 44.557 42.510 -0.012 0.000 2.206 207 c HN 1.091 nan 8.230 nan 0.000 0.485 208 R N 1.143 121.636 120.500 -0.010 0.000 2.539 208 R HA 0.231 4.571 4.340 0.000 0.000 0.275 208 R C 1.132 177.431 176.300 -0.002 0.000 1.077 208 R CA 0.181 56.280 56.100 -0.003 0.000 1.097 208 R CB 0.887 31.184 30.300 -0.004 0.000 1.018 208 R HN 0.915 nan 8.270 nan 0.000 0.483 209 S N -0.608 115.101 115.700 0.015 0.000 2.603 209 S HA -0.054 4.416 4.470 0.000 0.000 0.220 209 S C 0.863 175.480 174.600 0.029 0.000 0.967 209 S CA 0.069 58.287 58.200 0.031 0.000 0.920 209 S CB -0.105 63.146 63.200 0.084 0.000 0.773 209 S HN 0.714 nan 8.310 nan 0.000 0.529 210 T N -0.743 113.781 114.554 -0.051 0.000 2.945 210 T HA 0.805 5.155 4.350 0.000 0.000 0.286 210 T C -0.571 174.072 174.700 -0.094 0.000 1.025 210 T CA -0.591 61.389 62.100 -0.200 0.000 1.039 210 T CB 1.768 70.359 68.868 -0.462 0.000 1.068 210 T HN 0.398 nan 8.240 nan 0.000 0.497 211 A N 1.820 124.600 122.820 -0.067 0.000 2.330 211 A HA 0.747 5.067 4.320 0.000 0.000 0.313 211 A C -0.396 177.281 177.584 0.155 0.000 1.124 211 A CA -0.935 51.145 52.037 0.071 0.000 0.774 211 A CB 1.143 20.216 19.000 0.122 0.000 1.198 211 A HN 0.965 nan 8.150 nan 0.000 0.465 212 K N 2.604 123.129 120.400 0.208 0.000 2.578 212 K HA 0.629 4.949 4.320 0.000 0.000 0.250 212 K C -1.607 175.176 176.600 0.305 0.000 0.955 212 K CA -0.481 55.922 56.287 0.193 0.000 0.825 212 K CB 0.988 33.526 32.500 0.063 0.000 1.151 212 K HN 0.873 nan 8.250 nan 0.000 0.432 213 Y N -0.371 119.956 120.300 0.045 0.000 2.744 213 Y HA 0.576 5.126 4.550 0.000 0.000 0.330 213 Y C -1.627 174.305 175.900 0.053 0.000 1.263 213 Y CA -1.510 56.623 58.100 0.054 0.000 1.065 213 Y CB 0.992 39.493 38.460 0.067 0.000 1.306 213 Y HN 0.062 nan 8.280 nan 0.000 0.459 214 V N 2.311 122.255 119.914 0.050 0.000 2.439 214 V HA 0.779 4.899 4.120 0.000 0.000 0.282 214 V C -0.923 175.152 176.094 -0.032 0.000 1.039 214 V CA -0.255 62.010 62.300 -0.057 0.000 0.913 214 V CB 1.153 32.988 31.823 0.021 0.000 0.983 214 V HN 0.884 nan 8.190 nan 0.000 0.460 215 R N 4.965 125.385 120.500 -0.133 0.000 2.651 215 R HA 0.488 4.828 4.340 0.000 0.000 0.278 215 R C -0.007 176.292 176.300 -0.001 0.000 1.010 215 R CA -0.281 55.818 56.100 -0.001 0.000 0.896 215 R CB 0.972 31.289 30.300 0.028 0.000 1.211 215 R HN 0.783 nan 8.270 nan 0.000 0.456 216 N N 2.836 121.560 118.700 0.041 0.000 2.702 216 N HA -0.287 4.453 4.740 0.000 0.000 0.255 216 N C -1.001 174.512 175.510 0.004 0.000 0.983 216 N CA 1.654 54.720 53.050 0.027 0.000 0.768 216 N CB -1.335 37.172 38.487 0.032 0.000 0.918 216 N HN 0.920 nan 8.380 nan 0.000 0.540 217 N N -3.469 115.233 118.700 0.003 0.000 2.800 217 N HA -0.252 4.488 4.740 0.000 0.000 0.250 217 N C -0.711 174.787 175.510 -0.019 0.000 1.078 217 N CA 1.009 54.057 53.050 -0.004 0.000 0.804 217 N CB -0.723 37.763 38.487 -0.001 0.000 1.135 217 N HN 0.479 nan 8.380 nan 0.000 0.565 218 L N 0.487 121.687 121.223 -0.039 0.000 2.354 218 L HA 0.461 4.801 4.340 0.000 0.000 0.269 218 L C -0.310 176.505 176.870 -0.092 0.000 1.005 218 L CA -0.649 54.157 54.840 -0.056 0.000 0.819 218 L CB 1.767 43.789 42.059 -0.062 0.000 1.311 218 L HN 0.097 nan 8.230 nan 0.000 0.423 219 E N 2.114 122.269 120.200 -0.075 0.000 2.130 219 E HA 0.352 4.702 4.350 0.000 0.000 0.284 219 E C -1.130 175.403 176.600 -0.112 0.000 1.018 219 E CA -0.201 56.144 56.400 -0.093 0.000 0.817 219 E CB 0.918 30.594 29.700 -0.039 0.000 1.078 219 E HN 0.654 nan 8.360 nan 0.000 0.396 220 T N 2.449 116.878 114.554 -0.208 0.000 2.908 220 T HA 0.541 4.891 4.350 0.000 0.000 0.290 220 T C -0.996 173.643 174.700 -0.103 0.000 1.034 220 T CA -0.447 61.547 62.100 -0.175 0.000 1.010 220 T CB 1.686 70.406 68.868 -0.247 0.000 1.068 220 T HN 0.354 nan 8.240 nan 0.000 0.481 221 T N 2.520 117.073 114.554 -0.002 0.000 2.928 221 T HA 0.744 5.094 4.350 0.000 0.000 0.296 221 T C -0.932 173.792 174.700 0.040 0.000 1.000 221 T CA -0.646 61.457 62.100 0.005 0.000 0.989 221 T CB 1.368 70.239 68.868 0.004 0.000 1.005 221 T HN 0.922 nan 8.240 nan 0.000 0.442 222 A N 2.656 125.469 122.820 -0.013 0.000 2.365 222 A HA 0.889 5.209 4.320 0.000 0.000 0.318 222 A C -1.324 176.198 177.584 -0.104 0.000 1.091 222 A CA -0.688 51.400 52.037 0.085 0.000 0.763 222 A CB 0.771 19.898 19.000 0.212 0.000 1.248 222 A HN 0.724 nan 8.150 nan 0.000 0.442 223 F N 1.185 121.225 119.950 0.150 0.000 2.427 223 F HA 0.318 4.845 4.527 0.000 0.000 0.348 223 F C 0.571 176.449 175.800 0.130 0.000 1.125 223 F CA -0.263 57.810 58.000 0.122 0.000 0.989 223 F CB 1.399 40.436 39.000 0.062 0.000 1.165 223 F HN 0.777 nan 8.300 nan 0.000 0.442 224 H N 4.944 124.122 119.070 0.180 0.000 3.125 224 H HA 0.100 4.656 4.556 0.000 0.000 0.310 224 H C 0.806 176.149 175.328 0.026 0.000 0.980 224 H CA 0.591 56.712 56.048 0.122 0.000 1.422 224 H CB 0.435 30.249 29.762 0.087 0.000 1.432 224 H HN 0.598 nan 8.280 nan 0.000 0.577 225 R N 3.051 123.209 120.500 -0.571 0.000 4.000 225 R HA -0.247 4.093 4.340 0.000 0.000 0.362 225 R C -0.282 175.726 176.300 -0.487 0.000 1.183 225 R CA 1.011 56.501 56.100 -1.017 0.000 1.011 225 R CB -2.087 27.704 30.300 -0.848 0.000 1.501 225 R HN 0.997 nan 8.270 nan 0.000 0.553 226 D N -0.377 119.981 120.400 -0.070 0.000 2.955 226 D HA -0.188 4.452 4.640 0.000 0.000 0.226 226 D C 0.310 176.491 176.300 -0.198 0.000 1.178 226 D CA 2.010 56.013 54.000 0.004 0.000 0.808 226 D CB -0.494 40.330 40.800 0.040 0.000 1.099 226 D HN 0.510 nan 8.370 nan 0.000 0.421 227 D N -1.198 119.110 120.400 -0.154 0.000 2.539 227 D HA 0.274 4.914 4.640 0.000 0.000 0.276 227 D C 0.243 176.448 176.300 -0.159 0.000 1.206 227 D CA -0.321 53.523 54.000 -0.260 0.000 1.081 227 D CB 0.687 41.388 40.800 -0.165 0.000 1.142 227 D HN 0.133 nan 8.370 nan 0.000 0.595 228 H N -0.350 118.732 119.070 0.020 0.000 2.615 228 H HA 0.182 4.739 4.556 0.000 0.000 0.363 228 H C 0.061 175.507 175.328 0.195 0.000 1.148 228 H CA -0.333 55.768 56.048 0.089 0.000 1.401 228 H CB 0.623 30.406 29.762 0.036 0.000 1.461 228 H HN 0.277 nan 8.280 nan 0.000 0.588 229 E N 1.558 121.996 120.200 0.396 0.000 2.384 229 E HA 0.076 4.426 4.350 0.000 0.000 0.266 229 E C -0.413 176.284 176.600 0.162 0.000 1.012 229 E CA -0.202 56.353 56.400 0.260 0.000 0.901 229 E CB 0.551 30.379 29.700 0.213 0.000 0.967 229 E HN 0.734 nan 8.360 nan 0.000 0.435 230 T N 0.988 115.613 114.554 0.118 0.000 2.669 230 T HA 0.405 4.755 4.350 0.000 0.000 0.283 230 T C -0.870 173.856 174.700 0.044 0.000 1.019 230 T CA -1.068 61.076 62.100 0.074 0.000 1.039 230 T CB 1.384 70.293 68.868 0.070 0.000 1.374 230 T HN 0.291 nan 8.240 nan 0.000 0.523 231 D N 0.548 120.962 120.400 0.024 0.000 2.248 231 D HA 0.598 5.238 4.640 0.000 0.000 0.246 231 D C -0.549 175.749 176.300 -0.003 0.000 1.027 231 D CA -0.386 53.617 54.000 0.004 0.000 0.853 231 D CB 1.679 42.476 40.800 -0.004 0.000 1.243 231 D HN 0.554 nan 8.370 nan 0.000 0.462 232 M N 0.547 120.137 119.600 -0.017 0.000 2.535 232 M HA 0.295 4.775 4.480 0.000 0.000 0.314 232 M C 0.134 176.412 176.300 -0.036 0.000 1.153 232 M CA -0.877 54.406 55.300 -0.028 0.000 0.924 232 M CB 2.749 35.321 32.600 -0.048 0.000 1.710 232 M HN 0.160 nan 8.290 nan 0.000 0.451 233 E N 2.034 122.212 120.200 -0.036 0.000 2.383 233 E HA 0.329 4.679 4.350 0.000 0.000 0.264 233 E C -1.498 175.072 176.600 -0.049 0.000 1.050 233 E CA -0.270 56.106 56.400 -0.040 0.000 0.896 233 E CB 0.920 30.600 29.700 -0.032 0.000 0.982 233 E HN 0.550 nan 8.360 nan 0.000 0.424 234 L N 5.051 126.247 121.223 -0.046 0.000 2.275 234 L HA 0.297 4.637 4.340 0.000 0.000 0.288 234 L C 0.079 176.978 176.870 0.049 0.000 1.046 234 L CA -0.296 54.533 54.840 -0.018 0.000 0.805 234 L CB 0.871 42.908 42.059 -0.037 0.000 1.193 234 L HN 0.478 nan 8.230 nan 0.000 0.426 235 K N 3.470 123.887 120.400 0.029 0.000 2.208 235 K HA 0.700 5.020 4.320 0.000 0.000 0.247 235 K C -2.844 173.873 176.600 0.195 0.000 0.953 235 K CA -2.216 54.118 56.287 0.078 0.000 0.837 235 K CB 1.501 33.941 32.500 -0.101 0.000 1.131 235 K HN 0.079 nan 8.250 nan 0.000 0.431 236 P HA -0.052 nan 4.420 nan 0.000 0.268 236 P C -0.761 176.520 177.300 -0.032 0.000 1.208 236 P CA -0.031 62.966 63.100 -0.172 0.000 0.777 236 P CB 0.604 32.221 31.700 -0.139 0.000 0.875 237 A N 2.983 125.742 122.820 -0.101 0.000 2.425 237 A HA 0.117 4.437 4.320 0.000 0.000 0.242 237 A C 0.332 177.896 177.584 -0.034 0.000 1.077 237 A CA -0.301 51.748 52.037 0.020 0.000 0.781 237 A CB -0.407 18.515 19.000 -0.130 0.000 1.020 237 A HN 0.541 nan 8.150 nan 0.000 0.494 238 N N 0.935 119.632 118.700 -0.006 0.000 2.357 238 N HA 0.192 4.932 4.740 0.000 0.000 0.257 238 N C 0.416 175.888 175.510 -0.063 0.000 1.250 238 N CA 0.968 54.004 53.050 -0.023 0.000 0.862 238 N CB 0.277 38.750 38.487 -0.023 0.000 1.066 238 N HN 0.811 nan 8.380 nan 0.000 0.468 239 A N 1.383 124.169 122.820 -0.057 0.000 2.584 239 A HA 0.396 4.716 4.320 0.000 0.000 0.239 239 A C 0.350 177.894 177.584 -0.066 0.000 1.043 239 A CA 0.218 52.214 52.037 -0.068 0.000 0.756 239 A CB -0.152 18.818 19.000 -0.050 0.000 0.963 239 A HN 0.769 nan 8.150 nan 0.000 0.511 240 A N 2.319 125.092 122.820 -0.077 0.000 2.449 240 A HA 0.722 5.042 4.320 0.000 0.000 0.302 240 A C 0.208 177.753 177.584 -0.065 0.000 1.048 240 A CA 0.149 52.145 52.037 -0.069 0.000 0.708 240 A CB 0.849 19.802 19.000 -0.078 0.000 1.274 240 A HN 1.872 nan 8.150 nan 0.000 0.410 241 T N 0.423 114.945 114.554 -0.054 0.000 2.916 241 T HA 0.372 4.722 4.350 0.000 0.000 0.303 241 T C 0.416 175.084 174.700 -0.054 0.000 1.025 241 T CA 0.164 62.235 62.100 -0.049 0.000 1.142 241 T CB -0.261 68.584 68.868 -0.039 0.000 0.947 241 T HN 1.022 nan 8.240 nan 0.000 0.544 242 R N 0.935 121.403 120.500 -0.053 0.000 3.127 242 R HA -0.141 4.199 4.340 0.000 0.000 0.247 242 R C -0.147 176.112 176.300 -0.068 0.000 0.896 242 R CA 0.764 56.830 56.100 -0.056 0.000 0.624 242 R CB -3.003 27.268 30.300 -0.049 0.000 1.154 242 R HN 1.035 nan 8.270 nan 0.000 0.474 243 T N -3.231 111.275 114.554 -0.079 0.000 2.900 243 T HA 0.548 4.898 4.350 0.000 0.000 0.303 243 T C 0.478 175.115 174.700 -0.105 0.000 1.142 243 T CA -0.349 61.695 62.100 -0.094 0.000 1.007 243 T CB 2.119 70.925 68.868 -0.103 0.000 1.156 243 T HN 0.299 nan 8.240 nan 0.000 0.490 244 S N 1.812 117.446 115.700 -0.109 0.000 2.617 244 S HA 0.406 4.876 4.470 0.000 0.000 0.255 244 S C 0.306 174.805 174.600 -0.169 0.000 1.318 244 S CA -0.991 57.140 58.200 -0.114 0.000 0.978 244 S CB 0.006 63.147 63.200 -0.099 0.000 0.961 244 S HN 0.844 nan 8.310 nan 0.000 0.582 245 R N -0.048 120.333 120.500 -0.198 0.000 2.539 245 R HA 0.565 4.905 4.340 0.000 0.000 0.275 245 R C 0.430 176.407 176.300 -0.539 0.000 1.077 245 R CA 0.064 55.908 56.100 -0.426 0.000 1.097 245 R CB 0.688 30.708 30.300 -0.468 0.000 1.018 245 R HN 0.830 nan 8.270 nan 0.000 0.483 246 G N 1.225 109.542 108.800 -0.805 0.000 2.672 246 G HA2 0.608 4.568 3.960 0.000 0.000 0.292 246 G HA3 0.608 4.568 3.960 0.000 0.000 0.292 246 G C -1.704 172.751 174.900 -0.743 0.000 1.375 246 G CA -0.547 44.230 45.100 -0.539 0.000 0.890 246 G HN 0.432 nan 8.290 nan 0.000 0.476 247 W N -0.086 121.220 121.300 0.010 0.000 3.217 247 W HA 0.474 5.134 4.660 0.000 0.000 0.323 247 W C -0.492 176.076 176.519 0.081 0.000 1.216 247 W CA -0.613 56.757 57.345 0.041 0.000 1.194 247 W CB 2.308 31.762 29.460 -0.011 0.000 1.397 247 W HN 0.992 nan 8.180 nan 0.000 0.537 248 H N -2.820 116.338 119.070 0.146 0.000 3.008 248 H HA 0.529 5.085 4.556 0.000 0.000 0.354 248 H C 0.367 175.721 175.328 0.042 0.000 1.252 248 H CA -0.194 55.882 56.048 0.047 0.000 1.117 248 H CB 1.924 31.686 29.762 -0.001 0.000 1.857 248 H HN 0.170 nan 8.280 nan 0.000 0.547 249 T N -2.253 112.293 114.554 -0.015 0.000 3.042 249 T HA 0.172 4.522 4.350 0.000 0.000 0.245 249 T C 0.524 175.178 174.700 -0.078 0.000 1.029 249 T CA 0.560 62.606 62.100 -0.090 0.000 1.120 249 T CB -0.084 68.742 68.868 -0.070 0.000 0.917 249 T HN 0.515 nan 8.240 nan 0.000 0.467 250 T N 2.844 117.420 114.554 0.036 0.000 2.823 250 T HA 0.455 4.805 4.350 0.000 0.000 0.279 250 T C -0.174 174.675 174.700 0.247 0.000 0.998 250 T CA -0.497 61.635 62.100 0.053 0.000 0.994 250 T CB 1.667 70.500 68.868 -0.058 0.000 0.960 250 T HN 0.460 nan 8.240 nan 0.000 0.448 251 D N 1.854 122.378 120.400 0.206 0.000 2.454 251 D HA 0.195 4.835 4.640 0.000 0.000 0.214 251 D C 0.351 176.740 176.300 0.149 0.000 1.088 251 D CA 0.060 54.187 54.000 0.212 0.000 0.855 251 D CB 0.319 41.258 40.800 0.231 0.000 1.025 251 D HN 0.287 nan 8.370 nan 0.000 0.502 252 L N 0.330 121.660 121.223 0.178 0.000 2.319 252 L HA 0.448 4.788 4.340 0.000 0.000 0.267 252 L C -0.003 176.999 176.870 0.220 0.000 1.011 252 L CA -1.226 53.720 54.840 0.177 0.000 0.818 252 L CB 1.854 44.021 42.059 0.180 0.000 1.316 252 L HN -0.226 nan 8.230 nan 0.000 0.432 253 K N 1.845 122.352 120.400 0.179 0.000 2.248 253 K HA 0.202 4.522 4.320 0.000 0.000 0.281 253 K C -0.842 175.880 176.600 0.202 0.000 1.054 253 K CA -0.481 55.919 56.287 0.189 0.000 0.903 253 K CB 1.151 33.728 32.500 0.128 0.000 1.077 253 K HN 0.332 nan 8.250 nan 0.000 0.474 254 Y N 3.996 124.352 120.300 0.094 0.000 2.436 254 Y HA 0.096 4.646 4.550 0.000 0.000 0.336 254 Y C -0.498 175.449 175.900 0.078 0.000 1.049 254 Y CA 0.026 58.150 58.100 0.041 0.000 1.294 254 Y CB 0.423 38.829 38.460 -0.090 0.000 1.179 254 Y HN 0.451 nan 8.280 nan 0.000 0.520 255 N N 7.961 126.282 118.700 -0.631 0.000 2.284 255 N HA 0.328 5.068 4.740 0.000 0.000 0.300 255 N C -2.956 172.064 175.510 -0.816 0.000 1.047 255 N CA -1.651 51.032 53.050 -0.611 0.000 0.821 255 N CB 1.968 40.341 38.487 -0.190 0.000 1.337 255 N HN 0.418 nan 8.380 nan 0.000 0.482 256 P HA 0.039 nan 4.420 nan 0.000 0.268 256 P C 0.068 177.288 177.300 -0.134 0.000 1.204 256 P CA 0.122 62.979 63.100 -0.404 0.000 0.768 256 P CB 0.633 32.065 31.700 -0.448 0.000 0.842 257 S N 1.676 117.315 115.700 -0.102 0.000 2.614 257 S HA 0.107 4.577 4.470 0.000 0.000 0.265 257 S C 1.567 175.890 174.600 -0.462 0.000 1.303 257 S CA -0.543 57.562 58.200 -0.159 0.000 1.000 257 S CB 0.287 63.422 63.200 -0.108 0.000 0.935 257 S HN 0.462 nan 8.310 nan 0.000 0.551 258 R N 0.931 120.938 120.500 -0.822 0.000 2.105 258 R HA -0.103 4.237 4.340 0.000 0.000 0.239 258 R C 1.748 177.594 176.300 -0.758 0.000 1.135 258 R CA 2.221 57.439 56.100 -1.469 0.000 0.967 258 R CB -0.657 29.003 30.300 -1.068 0.000 0.861 258 R HN 0.646 nan 8.270 nan 0.000 0.442 259 V N -1.532 118.122 119.914 -0.434 0.000 2.871 259 V HA 0.013 4.133 4.120 0.000 0.000 0.256 259 V C 0.404 176.344 176.094 -0.256 0.000 1.082 259 V CA 0.939 63.063 62.300 -0.293 0.000 1.105 259 V CB -0.418 31.282 31.823 -0.205 0.000 0.713 259 V HN 0.175 nan 8.190 nan 0.000 0.473 260 E N 1.626 121.699 120.200 -0.211 0.000 2.323 260 E HA 0.383 4.733 4.350 0.000 0.000 0.313 260 E C 1.505 178.034 176.600 -0.118 0.000 1.236 260 E CA 0.344 56.675 56.400 -0.115 0.000 1.333 260 E CB 0.284 30.004 29.700 0.032 0.000 1.138 260 E HN 0.660 nan 8.360 nan 0.000 0.492 261 A N 1.496 124.154 122.820 -0.270 0.000 2.216 261 A HA -0.099 4.221 4.320 0.000 0.000 0.214 261 A C 0.836 178.435 177.584 0.024 0.000 1.160 261 A CA 0.695 52.610 52.037 -0.203 0.000 0.725 261 A CB -0.050 18.768 19.000 -0.304 0.000 0.784 261 A HN 0.357 nan 8.150 nan 0.000 0.472 262 F N -1.150 118.846 119.950 0.077 0.000 2.641 262 F HA 0.246 4.773 4.527 0.000 0.000 0.302 262 F C 0.811 176.726 175.800 0.192 0.000 1.098 262 F CA -0.408 57.653 58.000 0.101 0.000 1.318 262 F CB -0.507 38.532 39.000 0.064 0.000 1.035 262 F HN 0.487 nan 8.300 nan 0.000 0.551 263 H N 0.289 119.483 119.070 0.207 0.000 2.596 263 H HA 0.280 4.836 4.556 0.000 0.000 0.240 263 H C 0.605 176.027 175.328 0.156 0.000 1.406 263 H CA -0.229 55.935 56.048 0.193 0.000 1.504 263 H CB 0.523 30.383 29.762 0.163 0.000 1.688 263 H HN -0.184 nan 8.280 nan 0.000 0.546 264 R N 2.239 122.821 120.500 0.136 0.000 2.334 264 R HA 0.107 4.447 4.340 0.000 0.000 0.216 264 R C -0.845 175.279 176.300 -0.293 0.000 0.905 264 R CA 0.141 56.191 56.100 -0.084 0.000 1.064 264 R CB -0.146 30.100 30.300 -0.091 0.000 1.046 264 R HN 0.427 nan 8.270 nan 0.000 0.508 265 Y N -1.071 119.208 120.300 -0.034 0.000 2.487 265 Y HA 0.616 5.167 4.550 0.000 0.000 0.337 265 Y C 0.852 176.715 175.900 -0.062 0.000 1.076 265 Y CA -1.040 57.069 58.100 0.015 0.000 1.115 265 Y CB 2.130 40.665 38.460 0.125 0.000 1.235 265 Y HN -0.066 nan 8.280 nan 0.000 0.468 266 G N 0.914 109.816 108.800 0.171 0.000 2.737 266 G HA2 0.465 4.425 3.960 0.000 0.000 0.290 266 G HA3 0.465 4.425 3.960 0.000 0.000 0.290 266 G C -1.287 173.834 174.900 0.367 0.000 1.482 266 G CA -0.667 44.541 45.100 0.179 0.000 1.017 266 G HN 0.451 nan 8.290 nan 0.000 0.529 267 T N 2.259 117.123 114.554 0.516 0.000 2.767 267 T HA 0.589 4.939 4.350 0.000 0.000 0.288 267 T C 0.219 175.135 174.700 0.359 0.000 0.963 267 T CA -0.005 62.336 62.100 0.400 0.000 1.019 267 T CB 1.268 70.354 68.868 0.363 0.000 0.923 267 T HN 0.425 nan 8.240 nan 0.000 0.468 268 T N 2.593 117.340 114.554 0.322 0.000 2.888 268 T HA 0.660 5.010 4.350 0.000 0.000 0.284 268 T C -0.517 174.406 174.700 0.371 0.000 1.017 268 T CA -0.632 61.682 62.100 0.358 0.000 1.022 268 T CB 1.555 70.616 68.868 0.321 0.000 1.013 268 T HN 0.318 nan 8.240 nan 0.000 0.465 269 V N 2.902 123.118 119.914 0.504 0.000 2.638 269 V HA 0.597 4.717 4.120 0.000 0.000 0.306 269 V C -0.816 175.346 176.094 0.114 0.000 1.052 269 V CA -0.877 61.569 62.300 0.244 0.000 0.885 269 V CB 2.058 33.992 31.823 0.185 0.000 0.999 269 V HN 0.851 nan 8.190 nan 0.000 0.424 270 N N 2.796 121.545 118.700 0.082 0.000 2.576 270 N HA 0.269 5.009 4.740 0.000 0.000 0.269 270 N C -0.795 174.731 175.510 0.026 0.000 1.058 270 N CA -0.247 52.831 53.050 0.047 0.000 0.860 270 N CB 1.384 39.922 38.487 0.084 0.000 1.249 270 N HN 0.768 nan 8.380 nan 0.000 0.525 271 c N 5.282 123.883 118.600 0.001 0.000 2.632 271 c HA 0.546 5.116 4.570 0.000 0.000 0.415 271 c C 0.137 174.196 174.090 -0.052 0.000 1.332 271 c CA -0.377 55.938 56.329 -0.023 0.000 1.874 271 c CB -1.479 41.026 42.510 -0.008 0.000 2.596 271 c HN 0.608 nan 8.230 nan 0.000 0.590 272 I N 6.521 126.961 120.570 -0.216 0.000 2.466 272 I HA 0.433 4.603 4.170 0.000 0.000 0.289 272 I C -0.504 175.400 176.117 -0.356 0.000 1.026 272 I CA -0.460 60.645 61.300 -0.325 0.000 1.078 272 I CB 1.837 39.468 38.000 -0.616 0.000 1.249 272 I HN 0.347 nan 8.210 nan 0.000 0.429 273 V N 5.640 125.499 119.914 -0.092 0.000 2.513 273 V HA 0.502 4.622 4.120 0.000 0.000 0.299 273 V C -0.259 175.846 176.094 0.019 0.000 1.035 273 V CA -0.634 61.621 62.300 -0.074 0.000 0.889 273 V CB 1.829 33.705 31.823 0.089 0.000 0.988 273 V HN 0.686 nan 8.190 nan 0.000 0.440 274 E N 2.451 122.600 120.200 -0.085 0.000 2.293 274 E HA 0.451 4.801 4.350 0.000 0.000 0.270 274 E C -1.255 175.330 176.600 -0.026 0.000 0.879 274 E CA -0.795 55.587 56.400 -0.030 0.000 0.756 274 E CB 2.902 32.566 29.700 -0.060 0.000 1.208 274 E HN 0.671 nan 8.360 nan 0.000 0.428 275 E N 1.715 121.929 120.200 0.023 0.000 2.167 275 E HA 0.286 4.636 4.350 0.000 0.000 0.284 275 E C -0.476 176.084 176.600 -0.066 0.000 1.016 275 E CA -0.471 55.934 56.400 0.008 0.000 0.817 275 E CB 1.319 31.063 29.700 0.072 0.000 1.080 275 E HN 0.242 nan 8.360 nan 0.000 0.397 276 V N -0.119 119.735 119.914 -0.100 0.000 2.914 276 V HA 0.434 4.554 4.120 0.000 0.000 0.314 276 V C -0.333 175.640 176.094 -0.201 0.000 1.084 276 V CA -1.299 60.912 62.300 -0.149 0.000 0.963 276 V CB 2.109 33.828 31.823 -0.174 0.000 1.025 276 V HN 0.380 nan 8.190 nan 0.000 0.432 277 D N 1.965 122.236 120.400 -0.215 0.000 2.345 277 D HA 0.683 5.324 4.640 0.000 0.000 0.247 277 D C 0.100 176.177 176.300 -0.372 0.000 1.108 277 D CA 0.568 54.400 54.000 -0.280 0.000 0.894 277 D CB 1.754 42.426 40.800 -0.214 0.000 1.203 277 D HN 1.139 nan 8.370 nan 0.000 0.430 278 A N 2.669 125.133 122.820 -0.593 0.000 2.401 278 A HA 0.803 5.123 4.320 0.000 0.000 0.310 278 A C -0.345 176.955 177.584 -0.473 0.000 1.075 278 A CA -0.730 50.930 52.037 -0.627 0.000 0.746 278 A CB 1.397 19.690 19.000 -1.179 0.000 1.277 278 A HN 0.507 nan 8.150 nan 0.000 0.425 279 R N 0.097 120.495 120.500 -0.170 0.000 2.744 279 R HA 0.747 5.087 4.340 0.000 0.000 0.279 279 R C -1.053 175.338 176.300 0.152 0.000 0.977 279 R CA -0.488 55.598 56.100 -0.024 0.000 0.906 279 R CB 2.363 32.629 30.300 -0.057 0.000 1.197 279 R HN 0.671 nan 8.270 nan 0.000 0.463 280 S N 1.283 117.150 115.700 0.277 0.000 2.619 280 S HA 0.419 4.889 4.470 0.000 0.000 0.280 280 S C -0.653 174.233 174.600 0.476 0.000 1.150 280 S CA -0.755 57.679 58.200 0.389 0.000 0.978 280 S CB 1.222 64.703 63.200 0.469 0.000 1.041 280 S HN 0.414 nan 8.310 nan 0.000 0.485 281 V N 3.645 123.744 119.914 0.309 0.000 2.904 281 V HA 0.546 4.666 4.120 0.000 0.000 0.305 281 V C 0.052 176.101 176.094 -0.075 0.000 1.067 281 V CA -0.879 61.551 62.300 0.217 0.000 1.044 281 V CB 0.183 32.080 31.823 0.123 0.000 1.050 281 V HN 0.882 nan 8.190 nan 0.000 0.475 282 Y N 4.923 124.929 120.300 -0.489 0.000 2.717 282 Y HA 0.300 4.850 4.550 0.000 0.000 0.330 282 Y C -1.574 174.032 175.900 -0.490 0.000 1.217 282 Y CA -1.131 56.344 58.100 -1.041 0.000 1.506 282 Y CB 0.919 39.072 38.460 -0.511 0.000 1.268 282 Y HN 0.617 nan 8.280 nan 0.000 0.561 283 P HA 0.160 nan 4.420 nan 0.000 0.254 283 P C -1.565 175.351 177.300 -0.640 0.000 1.620 283 P CA -0.022 62.259 63.100 -1.364 0.000 1.050 283 P CB -0.527 30.634 31.700 -0.898 0.000 1.539 284 Y N 0.283 120.570 120.300 -0.021 0.000 3.091 284 Y HA -0.208 4.342 4.550 0.000 0.000 0.189 284 Y C 0.773 176.761 175.900 0.147 0.000 1.520 284 Y CA 0.240 58.416 58.100 0.126 0.000 1.121 284 Y CB -2.661 35.971 38.460 0.286 0.000 1.411 284 Y HN 0.220 nan 8.280 nan 0.000 0.459 285 D N -0.042 120.474 120.400 0.193 0.000 2.423 285 D HA 0.068 4.708 4.640 0.000 0.000 0.208 285 D C 0.672 177.157 176.300 0.308 0.000 1.068 285 D CA 1.022 55.143 54.000 0.202 0.000 0.860 285 D CB 0.503 41.313 40.800 0.017 0.000 0.992 285 D HN 0.759 nan 8.370 nan 0.000 0.504 286 E N -0.517 119.856 120.200 0.289 0.000 2.456 286 E HA 0.505 4.855 4.350 0.000 0.000 0.278 286 E C -1.338 175.458 176.600 0.327 0.000 1.034 286 E CA -1.047 55.526 56.400 0.288 0.000 0.846 286 E CB 1.786 31.631 29.700 0.242 0.000 1.460 286 E HN 0.048 nan 8.360 nan 0.000 0.463 287 F N -1.186 118.749 119.950 -0.025 0.000 2.779 287 F HA 0.720 5.247 4.527 0.000 0.000 0.316 287 F C -1.534 174.057 175.800 -0.349 0.000 1.164 287 F CA -0.947 56.978 58.000 -0.125 0.000 0.924 287 F CB 0.968 39.945 39.000 -0.038 0.000 1.348 287 F HN 0.421 nan 8.300 nan 0.000 0.467 288 V N -0.067 119.698 119.914 -0.249 0.000 3.046 288 V HA 0.802 4.922 4.120 0.000 0.000 0.316 288 V C -1.011 174.938 176.094 -0.242 0.000 1.104 288 V CA -1.088 60.914 62.300 -0.496 0.000 1.006 288 V CB 1.653 33.062 31.823 -0.691 0.000 1.058 288 V HN 0.983 nan 8.190 nan 0.000 0.440 289 L N 1.276 122.319 121.223 -0.299 0.000 2.304 289 L HA 0.726 5.066 4.340 0.000 0.000 0.268 289 L C 1.691 178.409 176.870 -0.253 0.000 1.010 289 L CA -0.343 54.341 54.840 -0.260 0.000 0.813 289 L CB 1.745 43.624 42.059 -0.300 0.000 1.315 289 L HN 0.842 nan 8.230 nan 0.000 0.445 290 A N -0.547 122.136 122.820 -0.229 0.000 2.121 290 A HA -0.112 4.208 4.320 0.000 0.000 0.218 290 A C 1.928 179.403 177.584 -0.181 0.000 1.154 290 A CA 1.683 53.605 52.037 -0.192 0.000 0.679 290 A CB -0.893 18.005 19.000 -0.170 0.000 0.795 290 A HN 0.894 nan 8.150 nan 0.000 0.458 291 T N -4.526 109.902 114.554 -0.210 0.000 3.055 291 T HA 0.341 4.691 4.350 0.000 0.000 0.265 291 T C 1.444 176.039 174.700 -0.174 0.000 1.111 291 T CA 1.270 63.252 62.100 -0.198 0.000 1.118 291 T CB -0.040 68.669 68.868 -0.264 0.000 0.909 291 T HN 1.588 nan 8.240 nan 0.000 0.501 292 G N 0.815 109.503 108.800 -0.188 0.000 2.168 292 G HA2 -0.141 3.819 3.960 0.000 0.000 0.197 292 G HA3 -0.141 3.819 3.960 0.000 0.000 0.197 292 G C -0.489 174.340 174.900 -0.118 0.000 0.997 292 G CA -0.142 44.869 45.100 -0.148 0.000 0.658 292 G HN 0.555 nan 8.290 nan 0.000 0.513 293 D N 0.254 120.551 120.400 -0.172 0.000 2.249 293 D HA 0.481 5.121 4.640 0.000 0.000 0.246 293 D C 0.030 176.252 176.300 -0.131 0.000 1.114 293 D CA -0.112 53.849 54.000 -0.066 0.000 0.854 293 D CB 0.722 41.438 40.800 -0.139 0.000 1.132 293 D HN 0.044 nan 8.370 nan 0.000 0.461 294 F N 1.358 121.211 119.950 -0.162 0.000 2.456 294 F HA 0.109 4.636 4.527 0.000 0.000 0.358 294 F C 0.601 176.109 175.800 -0.488 0.000 1.095 294 F CA -0.211 57.526 58.000 -0.438 0.000 1.216 294 F CB 0.949 39.536 39.000 -0.690 0.000 1.125 294 F HN -0.016 nan 8.300 nan 0.000 0.549 295 V N 5.810 125.377 119.914 -0.578 0.000 2.334 295 V HA 0.118 4.238 4.120 0.000 0.000 0.281 295 V C -0.634 175.195 176.094 -0.442 0.000 1.016 295 V CA -0.856 61.126 62.300 -0.530 0.000 0.832 295 V CB 0.725 31.879 31.823 -1.115 0.000 0.999 295 V HN 0.570 nan 8.190 nan 0.000 0.439 296 Y N 5.117 125.508 120.300 0.152 0.000 2.994 296 Y HA 0.506 5.056 4.550 0.000 0.000 0.393 296 Y C 0.377 176.356 175.900 0.133 0.000 1.118 296 Y CA 0.018 58.178 58.100 0.101 0.000 1.906 296 Y CB 0.156 38.573 38.460 -0.073 0.000 1.925 296 Y HN 0.581 nan 8.280 nan 0.000 0.446 297 M N 0.035 119.800 119.600 0.274 0.000 2.378 297 M HA 0.392 4.872 4.480 0.000 0.000 0.289 297 M C -0.525 176.003 176.300 0.379 0.000 1.136 297 M CA -0.695 54.748 55.300 0.239 0.000 0.917 297 M CB 1.743 34.491 32.600 0.246 0.000 1.669 297 M HN 0.022 nan 8.290 nan 0.000 0.461 298 S N 3.967 119.864 115.700 0.330 0.000 2.558 298 S HA 0.149 4.619 4.470 0.000 0.000 0.293 298 S C -1.897 172.843 174.600 0.233 0.000 1.292 298 S CA -0.669 57.730 58.200 0.331 0.000 1.063 298 S CB 0.525 63.950 63.200 0.374 0.000 0.831 298 S HN 0.608 nan 8.310 nan 0.000 0.499 299 P HA -0.014 nan 4.420 nan 0.000 0.225 299 P C 0.214 177.296 177.300 -0.363 0.000 1.148 299 P CA 1.222 63.845 63.100 -0.795 0.000 0.779 299 P CB -0.007 30.715 31.700 -1.630 0.000 0.780 300 F N -4.247 115.809 119.950 0.176 0.000 2.695 300 F HA 0.191 4.718 4.527 0.000 0.000 0.303 300 F C 1.083 177.164 175.800 0.468 0.000 1.091 300 F CA -0.833 57.299 58.000 0.219 0.000 1.300 300 F CB -0.572 38.435 39.000 0.010 0.000 1.071 300 F HN -0.179 nan 8.300 nan 0.000 0.578 301 Y N 1.666 122.185 120.300 0.366 0.000 2.497 301 Y HA 0.469 5.019 4.550 0.000 0.000 0.334 301 Y C 0.577 176.488 175.900 0.019 0.000 1.199 301 Y CA 0.430 58.609 58.100 0.132 0.000 1.425 301 Y CB 0.358 38.779 38.460 -0.067 0.000 1.291 301 Y HN 0.126 nan 8.280 nan 0.000 0.562 302 G N 2.882 111.206 108.800 -0.793 0.000 2.341 302 G HA2 0.071 4.031 3.960 0.000 0.000 0.299 302 G HA3 0.071 4.031 3.960 0.000 0.000 0.299 302 G C -1.319 173.303 174.900 -0.463 0.000 1.274 302 G CA -0.531 44.201 45.100 -0.614 0.000 0.853 302 G HN 0.410 nan 8.290 nan 0.000 0.493 303 Y N 0.417 120.579 120.300 -0.230 0.000 2.500 303 Y HA 0.264 4.814 4.550 0.000 0.000 0.284 303 Y C 2.024 177.754 175.900 -0.283 0.000 1.118 303 Y CA 0.605 58.597 58.100 -0.181 0.000 1.241 303 Y CB 0.001 38.362 38.460 -0.166 0.000 1.171 303 Y HN 0.547 nan 8.280 nan 0.000 0.540 304 R N 1.515 121.859 120.500 -0.259 0.000 2.441 304 R HA 0.266 4.606 4.340 0.000 0.000 0.284 304 R C -0.239 175.925 176.300 -0.227 0.000 1.070 304 R CA -0.163 55.777 56.100 -0.266 0.000 1.047 304 R CB 0.095 30.201 30.300 -0.323 0.000 1.016 304 R HN 0.309 nan 8.270 nan 0.000 0.477 305 E N 1.051 121.193 120.200 -0.096 0.000 2.416 305 E HA -0.225 4.125 4.350 0.000 0.000 0.249 305 E C 0.269 176.884 176.600 0.025 0.000 1.124 305 E CA 0.458 56.851 56.400 -0.012 0.000 0.732 305 E CB -1.871 27.861 29.700 0.052 0.000 1.286 305 E HN 1.172 nan 8.360 nan 0.000 0.394 306 G N -0.283 108.522 108.800 0.008 0.000 2.246 306 G HA2 -0.383 3.577 3.960 0.000 0.000 0.273 306 G HA3 -0.383 3.577 3.960 0.000 0.000 0.273 306 G C 0.724 175.662 174.900 0.064 0.000 1.055 306 G CA 0.488 45.613 45.100 0.041 0.000 0.851 306 G HN 0.409 nan 8.290 nan 0.000 0.500 307 S N -0.960 114.748 115.700 0.014 0.000 2.406 307 S HA 0.009 4.479 4.470 0.000 0.000 0.224 307 S C 1.655 176.173 174.600 -0.137 0.000 1.030 307 S CA 0.799 58.993 58.200 -0.010 0.000 0.958 307 S CB -0.244 62.826 63.200 -0.217 0.000 0.811 307 S HN 0.680 nan 8.310 nan 0.000 0.489 308 H N 1.211 120.132 119.070 -0.248 0.000 2.568 308 H HA -0.018 4.538 4.556 0.000 0.000 0.281 308 H C 1.545 176.878 175.328 0.009 0.000 1.028 308 H CA 1.001 56.914 56.048 -0.226 0.000 1.199 308 H CB 0.159 29.885 29.762 -0.061 0.000 1.352 308 H HN 0.321 nan 8.280 nan 0.000 0.605 309 T N 0.314 114.924 114.554 0.094 0.000 2.770 309 T HA -0.075 4.275 4.350 0.000 0.000 0.263 309 T C 0.855 175.654 174.700 0.165 0.000 1.039 309 T CA 0.433 62.604 62.100 0.118 0.000 1.142 309 T CB 0.168 69.096 68.868 0.099 0.000 0.868 309 T HN 0.372 nan 8.240 nan 0.000 0.435 310 E N 1.420 121.748 120.200 0.214 0.000 2.455 310 E HA 0.017 4.367 4.350 0.000 0.000 0.259 310 E C -0.059 176.764 176.600 0.370 0.000 1.245 310 E CA 0.165 56.755 56.400 0.317 0.000 1.013 310 E CB 0.103 30.042 29.700 0.399 0.000 0.978 310 E HN 0.477 nan 8.360 nan 0.000 0.479 311 H N -0.708 118.473 119.070 0.184 0.000 2.610 311 H HA 0.258 4.814 4.556 0.000 0.000 0.336 311 H C -0.776 174.456 175.328 -0.160 0.000 1.087 311 H CA 0.257 56.326 56.048 0.036 0.000 1.405 311 H CB 0.892 30.674 29.762 0.033 0.000 1.460 311 H HN 0.267 nan 8.280 nan 0.000 0.538 312 T N 2.834 116.735 114.554 -1.089 0.000 2.952 312 T HA 0.289 4.639 4.350 0.000 0.000 0.305 312 T C 0.063 174.169 174.700 -0.990 0.000 1.064 312 T CA -0.606 60.852 62.100 -1.070 0.000 1.008 312 T CB 1.142 69.360 68.868 -1.083 0.000 1.078 312 T HN 0.630 nan 8.240 nan 0.000 0.459 313 S N 2.651 117.876 115.700 -0.791 0.000 2.540 313 S HA 0.299 4.769 4.470 0.000 0.000 0.218 313 S C -0.293 173.968 174.600 -0.566 0.000 0.977 313 S CA -0.214 57.633 58.200 -0.589 0.000 0.918 313 S CB -0.117 62.771 63.200 -0.521 0.000 0.806 313 S HN 0.678 nan 8.310 nan 0.000 0.496 314 Y N 1.292 121.478 120.300 -0.190 0.000 2.545 314 Y HA 0.678 5.228 4.550 0.000 0.000 0.324 314 Y C 0.644 176.502 175.900 -0.071 0.000 1.220 314 Y CA -1.285 56.755 58.100 -0.101 0.000 1.290 314 Y CB 0.435 38.851 38.460 -0.073 0.000 1.355 314 Y HN 0.035 nan 8.280 nan 0.000 0.516 315 A N 0.407 123.325 122.820 0.163 0.000 2.351 315 A HA 0.516 4.836 4.320 0.000 0.000 0.257 315 A C 1.220 178.891 177.584 0.146 0.000 1.087 315 A CA 0.076 52.180 52.037 0.111 0.000 0.798 315 A CB 0.007 19.062 19.000 0.092 0.000 1.033 315 A HN 0.997 nan 8.150 nan 0.000 0.488 316 A N 1.140 124.048 122.820 0.146 0.000 1.940 316 A HA -0.175 4.145 4.320 0.000 0.000 0.219 316 A C 1.488 179.203 177.584 0.217 0.000 1.176 316 A CA 1.983 54.152 52.037 0.219 0.000 0.631 316 A CB -0.562 18.560 19.000 0.203 0.000 0.814 316 A HN 0.889 nan 8.150 nan 0.000 0.446 317 D N -1.012 119.467 120.400 0.132 0.000 2.363 317 D HA -0.078 4.562 4.640 0.000 0.000 0.226 317 D C 1.601 177.939 176.300 0.063 0.000 1.020 317 D CA 0.317 54.365 54.000 0.080 0.000 0.892 317 D CB -0.409 40.423 40.800 0.054 0.000 0.900 317 D HN 0.485 nan 8.370 nan 0.000 0.531 318 R N -0.863 119.698 120.500 0.103 0.000 2.275 318 R HA 0.111 4.451 4.340 0.000 0.000 0.199 318 R C -0.107 176.250 176.300 0.095 0.000 0.989 318 R CA 0.069 56.208 56.100 0.065 0.000 1.016 318 R CB 0.141 30.463 30.300 0.036 0.000 0.918 318 R HN 0.126 nan 8.270 nan 0.000 0.473 319 F N 1.167 121.101 119.950 -0.027 0.000 2.467 319 F HA 0.426 4.953 4.527 0.000 0.000 0.336 319 F C -0.904 174.834 175.800 -0.103 0.000 1.123 319 F CA -1.141 56.829 58.000 -0.050 0.000 0.964 319 F CB 1.145 40.165 39.000 0.034 0.000 1.136 319 F HN -0.434 nan 8.300 nan 0.000 0.447 320 K N 3.929 123.747 120.400 -0.969 0.000 2.316 320 K HA 0.381 4.701 4.320 0.000 0.000 0.251 320 K C -1.353 174.497 176.600 -1.250 0.000 0.934 320 K CA -0.670 55.027 56.287 -0.983 0.000 0.802 320 K CB 1.847 33.706 32.500 -1.068 0.000 1.171 320 K HN 0.688 nan 8.250 nan 0.000 0.426 321 Q N 2.359 121.635 119.800 -0.872 0.000 2.413 321 Q HA 0.366 4.706 4.340 0.000 0.000 0.258 321 Q C -1.218 174.612 176.000 -0.284 0.000 1.037 321 Q CA -0.674 54.742 55.803 -0.645 0.000 0.764 321 Q CB 1.176 29.533 28.738 -0.635 0.000 1.217 321 Q HN 0.349 nan 8.270 nan 0.000 0.490 322 V N 2.731 122.512 119.914 -0.222 0.000 2.408 322 V HA 0.292 4.412 4.120 0.000 0.000 0.267 322 V C 0.424 176.513 176.094 -0.008 0.000 1.047 322 V CA 0.160 62.433 62.300 -0.045 0.000 0.937 322 V CB 0.557 32.404 31.823 0.040 0.000 0.999 322 V HN 0.835 nan 8.190 nan 0.000 0.472 323 D N 2.991 123.401 120.400 0.017 0.000 2.283 323 D HA 0.502 5.142 4.640 0.000 0.000 0.248 323 D C 1.212 177.540 176.300 0.048 0.000 1.072 323 D CA -0.140 53.871 54.000 0.018 0.000 0.929 323 D CB 1.275 42.076 40.800 0.000 0.000 1.182 323 D HN 1.639 nan 8.370 nan 0.000 0.433 324 G N -0.121 108.686 108.800 0.012 0.000 2.338 324 G HA2 -0.104 3.856 3.960 0.000 0.000 0.296 324 G HA3 -0.104 3.856 3.960 0.000 0.000 0.296 324 G C 0.079 174.921 174.900 -0.097 0.000 1.040 324 G CA 0.453 45.520 45.100 -0.055 0.000 1.004 324 G HN 1.117 nan 8.290 nan 0.000 0.509 325 F N 0.957 120.777 119.950 -0.216 0.000 2.420 325 F HA 0.651 5.178 4.527 0.000 0.000 0.352 325 F C -0.037 175.589 175.800 -0.290 0.000 1.108 325 F CA -1.359 56.546 58.000 -0.159 0.000 1.162 325 F CB 0.563 39.519 39.000 -0.074 0.000 1.118 325 F HN 0.130 nan 8.300 nan 0.000 0.510 326 Y N 5.510 125.376 120.300 -0.723 0.000 2.369 326 Y HA 0.581 5.131 4.550 0.000 0.000 0.337 326 Y C 0.482 175.857 175.900 -0.874 0.000 0.961 326 Y CA -0.765 56.993 58.100 -0.571 0.000 1.186 326 Y CB 0.894 39.172 38.460 -0.304 0.000 1.139 326 Y HN 0.810 nan 8.280 nan 0.000 0.494 327 A N 4.333 126.894 122.820 -0.432 0.000 2.313 327 A HA 0.646 4.966 4.320 0.000 0.000 0.261 327 A C -0.127 177.400 177.584 -0.094 0.000 1.090 327 A CA -0.597 51.317 52.037 -0.205 0.000 0.807 327 A CB 0.505 19.590 19.000 0.142 0.000 1.055 327 A HN 0.806 nan 8.150 nan 0.000 0.492 328 R N 0.845 121.309 120.500 -0.060 0.000 2.507 328 R HA 0.230 4.570 4.340 0.000 0.000 0.298 328 R C -1.398 174.857 176.300 -0.075 0.000 1.087 328 R CA -0.463 55.596 56.100 -0.068 0.000 0.917 328 R CB 0.848 31.092 30.300 -0.092 0.000 1.173 328 R HN 0.949 nan 8.270 nan 0.000 0.472 329 D N 3.034 123.402 120.400 -0.053 0.000 2.533 329 D HA -0.082 4.558 4.640 0.000 0.000 0.236 329 D C 1.010 177.210 176.300 -0.167 0.000 1.137 329 D CA 0.362 54.320 54.000 -0.069 0.000 0.867 329 D CB 0.903 41.704 40.800 0.002 0.000 1.170 329 D HN 0.536 nan 8.370 nan 0.000 0.474 330 L N 2.701 123.698 121.223 -0.378 0.000 2.554 330 L HA 0.004 4.344 4.340 0.000 0.000 0.226 330 L C 1.791 178.474 176.870 -0.313 0.000 1.137 330 L CA 0.498 55.001 54.840 -0.562 0.000 0.863 330 L CB -0.052 41.246 42.059 -1.269 0.000 0.985 330 L HN 0.524 nan 8.230 nan 0.000 0.451 331 T N -2.111 112.425 114.554 -0.031 0.000 3.044 331 T HA -0.083 4.267 4.350 0.000 0.000 0.237 331 T C 1.909 176.650 174.700 0.068 0.000 1.001 331 T CA 1.373 63.564 62.100 0.152 0.000 1.160 331 T CB 0.042 69.112 68.868 0.335 0.000 0.889 331 T HN 0.378 nan 8.240 nan 0.000 0.442 332 T N 0.528 115.113 114.554 0.051 0.000 3.055 332 T HA 0.065 4.415 4.350 0.000 0.000 0.265 332 T C 0.968 175.666 174.700 -0.004 0.000 1.111 332 T CA 0.656 62.773 62.100 0.027 0.000 1.118 332 T CB -0.431 68.456 68.868 0.031 0.000 0.909 332 T HN 0.499 nan 8.240 nan 0.000 0.501 333 K N -0.000 120.382 120.400 -0.030 0.000 3.407 333 K HA -0.139 4.181 4.320 0.000 0.000 0.312 333 K C 0.236 176.809 176.600 -0.046 0.000 1.302 333 K CA 0.495 56.752 56.287 -0.050 0.000 0.931 333 K CB -2.570 29.905 32.500 -0.042 0.000 1.257 333 K HN 0.680 nan 8.250 nan 0.000 0.454 334 A N 1.999 124.800 122.820 -0.031 0.000 2.301 334 A HA 0.527 4.847 4.320 0.000 0.000 0.298 334 A C 0.283 177.848 177.584 -0.032 0.000 1.185 334 A CA -0.558 51.461 52.037 -0.029 0.000 0.830 334 A CB 0.583 19.576 19.000 -0.012 0.000 1.112 334 A HN 0.353 nan 8.150 nan 0.000 0.508 335 R N 2.414 122.886 120.500 -0.047 0.000 2.404 335 R HA 0.668 5.008 4.340 0.000 0.000 0.291 335 R C 0.195 176.493 176.300 -0.003 0.000 1.025 335 R CA 0.373 56.447 56.100 -0.044 0.000 0.991 335 R CB 0.601 30.845 30.300 -0.093 0.000 1.053 335 R HN 0.900 nan 8.270 nan 0.000 0.479 336 A N 1.813 124.668 122.820 0.057 0.000 2.536 336 A HA 0.085 4.405 4.320 0.000 0.000 0.234 336 A C 1.209 178.882 177.584 0.149 0.000 1.076 336 A CA 0.402 52.505 52.037 0.110 0.000 0.769 336 A CB -0.244 18.837 19.000 0.135 0.000 1.020 336 A HN 1.013 nan 8.150 nan 0.000 0.508 337 T N -1.032 113.598 114.554 0.126 0.000 2.937 337 T HA 0.395 4.745 4.350 0.000 0.000 0.260 337 T C 0.829 175.670 174.700 0.236 0.000 1.051 337 T CA 1.001 63.170 62.100 0.115 0.000 1.141 337 T CB -0.316 68.592 68.868 0.066 0.000 0.879 337 T HN 1.396 nan 8.240 nan 0.000 0.459 338 A N 2.350 125.305 122.820 0.224 0.000 2.288 338 A HA 0.854 5.175 4.320 0.000 0.000 0.328 338 A C -2.738 174.859 177.584 0.022 0.000 1.123 338 A CA -2.070 50.086 52.037 0.198 0.000 0.861 338 A CB 1.066 20.120 19.000 0.091 0.000 1.272 338 A HN 0.379 nan 8.150 nan 0.000 0.490 339 P HA 0.596 nan 4.420 nan 0.000 0.289 339 P C -0.716 176.472 177.300 -0.186 0.000 1.302 339 P CA -0.238 62.487 63.100 -0.624 0.000 0.923 339 P CB 1.989 33.116 31.700 -0.955 0.000 1.238 340 T N -3.431 111.089 114.554 -0.056 0.000 2.883 340 T HA 0.509 4.859 4.350 0.000 0.000 0.284 340 T C -0.411 174.339 174.700 0.084 0.000 1.041 340 T CA -0.582 61.558 62.100 0.066 0.000 1.007 340 T CB 0.346 69.297 68.868 0.138 0.000 1.220 340 T HN 0.177 nan 8.240 nan 0.000 0.552 341 T N 2.144 116.756 114.554 0.096 0.000 2.811 341 T HA 0.427 4.777 4.350 0.000 0.000 0.309 341 T C -0.064 174.622 174.700 -0.024 0.000 1.005 341 T CA -0.414 61.720 62.100 0.058 0.000 0.955 341 T CB -0.016 68.934 68.868 0.137 0.000 0.970 341 T HN 0.504 nan 8.240 nan 0.000 0.496 342 R N 3.648 124.059 120.500 -0.148 0.000 2.216 342 R HA 0.295 4.635 4.340 0.000 0.000 0.332 342 R C -0.362 175.689 176.300 -0.415 0.000 1.056 342 R CA -0.491 55.389 56.100 -0.367 0.000 0.901 342 R CB -0.142 29.613 30.300 -0.909 0.000 1.039 342 R HN 0.350 nan 8.270 nan 0.000 0.456 343 N N 3.550 121.954 118.700 -0.493 0.000 2.499 343 N HA 0.377 5.117 4.740 0.000 0.000 0.281 343 N C -1.097 174.144 175.510 -0.448 0.000 1.098 343 N CA -0.186 52.477 53.050 -0.646 0.000 0.979 343 N CB 0.978 38.736 38.487 -1.215 0.000 1.121 343 N HN 0.363 nan 8.380 nan 0.000 0.466 344 L N 1.719 122.736 121.223 -0.343 0.000 2.438 344 L HA 0.530 4.870 4.340 0.000 0.000 0.270 344 L C -1.111 175.827 176.870 0.113 0.000 0.972 344 L CA -0.628 54.190 54.840 -0.036 0.000 0.831 344 L CB 1.922 43.954 42.059 -0.044 0.000 1.273 344 L HN 0.326 nan 8.230 nan 0.000 0.405 345 L N 2.053 123.472 121.223 0.326 0.000 2.381 345 L HA 0.654 4.994 4.340 0.000 0.000 0.274 345 L C -0.399 176.523 176.870 0.086 0.000 0.988 345 L CA 0.198 55.174 54.840 0.228 0.000 0.824 345 L CB 2.124 44.334 42.059 0.252 0.000 1.263 345 L HN 0.518 nan 8.230 nan 0.000 0.410 346 T N 3.466 118.016 114.554 -0.006 0.000 2.729 346 T HA 0.395 4.745 4.350 0.000 0.000 0.296 346 T C 0.331 174.912 174.700 -0.198 0.000 0.928 346 T CA -0.016 62.061 62.100 -0.038 0.000 1.045 346 T CB 0.390 69.271 68.868 0.022 0.000 0.902 346 T HN 0.815 nan 8.240 nan 0.000 0.500 347 T N 1.780 116.136 114.554 -0.329 0.000 2.849 347 T HA 0.385 4.735 4.350 0.000 0.000 0.276 347 T C -1.822 172.752 174.700 -0.211 0.000 0.971 347 T CA -2.026 59.841 62.100 -0.388 0.000 0.949 347 T CB 0.758 69.172 68.868 -0.757 0.000 1.093 347 T HN 0.077 nan 8.240 nan 0.000 0.545 348 P HA 0.086 nan 4.420 nan 0.000 0.222 348 P C 0.866 178.153 177.300 -0.023 0.000 1.147 348 P CA 1.036 64.136 63.100 -0.001 0.000 0.790 348 P CB 0.110 31.837 31.700 0.046 0.000 0.780 349 K N -2.041 118.266 120.400 -0.155 0.000 2.402 349 K HA 0.237 4.557 4.320 0.000 0.000 0.204 349 K C -0.098 176.550 176.600 0.081 0.000 1.056 349 K CA 0.045 56.304 56.287 -0.047 0.000 1.069 349 K CB 0.689 33.215 32.500 0.044 0.000 0.888 349 K HN 0.184 nan 8.250 nan 0.000 0.546 350 F N -2.834 117.125 119.950 0.015 0.000 2.769 350 F HA 0.302 4.829 4.527 0.000 0.000 0.313 350 F C -1.268 174.618 175.800 0.143 0.000 1.146 350 F CA -1.146 56.918 58.000 0.107 0.000 0.934 350 F CB 0.873 39.916 39.000 0.072 0.000 1.283 350 F HN -0.398 nan 8.300 nan 0.000 0.443 351 T N 2.268 117.098 114.554 0.460 0.000 2.771 351 T HA 0.612 4.962 4.350 0.000 0.000 0.281 351 T C -1.308 173.757 174.700 0.609 0.000 0.982 351 T CA -0.660 61.681 62.100 0.402 0.000 0.978 351 T CB 1.526 70.585 68.868 0.318 0.000 0.930 351 T HN 0.796 nan 8.240 nan 0.000 0.447 352 V N 3.185 123.437 119.914 0.564 0.000 2.487 352 V HA 0.852 4.972 4.120 0.000 0.000 0.298 352 V C -0.485 176.026 176.094 0.696 0.000 1.028 352 V CA -0.584 62.083 62.300 0.611 0.000 0.860 352 V CB 1.100 33.276 31.823 0.589 0.000 0.991 352 V HN 1.070 nan 8.190 nan 0.000 0.427 353 A N 6.396 129.614 122.820 0.664 0.000 2.311 353 A HA 1.052 5.372 4.320 0.000 0.000 0.334 353 A C -1.090 176.920 177.584 0.710 0.000 1.139 353 A CA -0.415 51.951 52.037 0.548 0.000 0.830 353 A CB 1.194 20.431 19.000 0.395 0.000 1.234 353 A HN 1.814 nan 8.150 nan 0.000 0.483 354 W N 0.082 121.503 121.300 0.202 0.000 3.298 354 W HA 0.539 5.199 4.660 0.000 0.000 0.302 354 W C -1.977 174.634 176.519 0.153 0.000 1.255 354 W CA -0.803 56.670 57.345 0.214 0.000 1.196 354 W CB 0.461 30.141 29.460 0.367 0.000 1.364 354 W HN 0.491 nan 8.180 nan 0.000 0.566 355 D N 2.048 122.590 120.400 0.236 0.000 2.348 355 D HA 0.047 4.687 4.640 0.000 0.000 0.253 355 D C -0.710 175.639 176.300 0.083 0.000 1.161 355 D CA 0.449 54.512 54.000 0.106 0.000 0.876 355 D CB 0.567 41.456 40.800 0.147 0.000 1.160 355 D HN 0.518 nan 8.370 nan 0.000 0.459 356 W N 4.500 125.713 121.300 -0.145 0.000 2.303 356 W HA 0.337 4.997 4.660 0.000 0.000 0.318 356 W C -0.551 175.979 176.519 0.019 0.000 1.362 356 W CA -0.416 56.871 57.345 -0.097 0.000 1.234 356 W CB 0.406 29.782 29.460 -0.141 0.000 1.248 356 W HN 0.167 nan 8.180 nan 0.000 0.546 357 V N 4.965 124.295 119.914 -0.973 0.000 2.876 357 V HA 0.664 4.784 4.120 0.000 0.000 0.312 357 V C -2.543 172.769 176.094 -1.302 0.000 1.085 357 V CA -3.256 58.457 62.300 -0.978 0.000 0.945 357 V CB 1.502 33.122 31.823 -0.338 0.000 1.017 357 V HN 0.471 nan 8.190 nan 0.000 0.428 358 P HA 0.166 nan 4.420 nan 0.000 0.266 358 P C 0.483 177.465 177.300 -0.531 0.000 1.195 358 P CA -0.017 62.720 63.100 -0.605 0.000 0.768 358 P CB 0.768 32.280 31.700 -0.313 0.000 0.838 359 K N 3.536 123.575 120.400 -0.602 0.000 1.973 359 K HA -0.173 4.147 4.320 0.000 0.000 0.212 359 K C 1.811 177.963 176.600 -0.747 0.000 1.047 359 K CA 1.437 57.014 56.287 -1.185 0.000 0.937 359 K CB -0.118 31.866 32.500 -0.861 0.000 0.721 359 K HN 0.240 nan 8.250 nan 0.000 0.440 360 R N -0.307 119.949 120.500 -0.407 0.000 2.127 360 R HA -0.098 4.242 4.340 0.000 0.000 0.238 360 R C -0.948 175.221 176.300 -0.219 0.000 1.134 360 R CA 1.199 57.143 56.100 -0.260 0.000 0.975 360 R CB -0.806 29.401 30.300 -0.154 0.000 0.865 360 R HN 0.362 nan 8.270 nan 0.000 0.447 361 P HA 0.192 nan 4.420 nan 0.000 0.262 361 P C 0.149 177.362 177.300 -0.146 0.000 1.304 361 P CA 0.577 63.587 63.100 -0.150 0.000 0.859 361 P CB 0.904 32.530 31.700 -0.123 0.000 1.310 362 S N -1.409 114.148 115.700 -0.238 0.000 2.613 362 S HA 0.141 4.611 4.470 0.000 0.000 0.235 362 S C 0.679 175.191 174.600 -0.145 0.000 1.073 362 S CA -0.118 57.990 58.200 -0.154 0.000 0.899 362 S CB 0.293 63.389 63.200 -0.173 0.000 0.818 362 S HN 0.033 nan 8.310 nan 0.000 0.484 363 V N -0.607 119.109 119.914 -0.331 0.000 2.667 363 V HA 0.847 4.967 4.120 0.000 0.000 0.308 363 V C -0.646 175.401 176.094 -0.078 0.000 1.048 363 V CA -1.060 61.092 62.300 -0.247 0.000 0.928 363 V CB 1.263 32.729 31.823 -0.595 0.000 1.004 363 V HN 0.247 nan 8.190 nan 0.000 0.444 364 c N 3.654 122.277 118.600 0.039 0.000 2.686 364 c HA 0.654 5.224 4.570 0.000 0.000 0.318 364 c C 1.569 175.723 174.090 0.107 0.000 1.160 364 c CA 0.491 56.855 56.329 0.058 0.000 1.396 364 c CB 1.477 44.008 42.510 0.035 0.000 1.924 364 c HN 1.257 nan 8.230 nan 0.000 0.471 365 T N 1.812 116.411 114.554 0.075 0.000 3.118 365 T HA 0.174 4.524 4.350 0.000 0.000 0.260 365 T C 0.574 175.271 174.700 -0.004 0.000 1.139 365 T CA 0.644 62.755 62.100 0.018 0.000 1.085 365 T CB -0.142 68.679 68.868 -0.080 0.000 0.934 365 T HN 0.556 nan 8.240 nan 0.000 0.518 366 M N 1.558 121.174 119.600 0.026 0.000 2.602 366 M HA 0.511 4.991 4.480 0.000 0.000 0.312 366 M C -0.878 175.520 176.300 0.164 0.000 1.181 366 M CA -0.517 54.823 55.300 0.067 0.000 0.910 366 M CB 2.002 34.613 32.600 0.019 0.000 1.723 366 M HN -0.052 nan 8.290 nan 0.000 0.459 367 T N 0.784 115.482 114.554 0.240 0.000 2.861 367 T HA 0.392 4.742 4.350 0.000 0.000 0.287 367 T C -0.415 174.487 174.700 0.336 0.000 1.003 367 T CA -0.866 61.387 62.100 0.254 0.000 0.977 367 T CB 2.332 71.294 68.868 0.157 0.000 0.996 367 T HN 0.585 nan 8.240 nan 0.000 0.448 368 K N 1.272 121.821 120.400 0.247 0.000 2.350 368 K HA 0.145 4.465 4.320 0.000 0.000 0.279 368 K C -0.106 176.535 176.600 0.068 0.000 1.027 368 K CA -0.232 55.995 56.287 -0.100 0.000 0.969 368 K CB 0.478 32.885 32.500 -0.154 0.000 0.954 368 K HN 0.747 nan 8.250 nan 0.000 0.474 369 W N 3.139 124.324 121.300 -0.192 0.000 3.178 369 W HA 0.209 4.870 4.660 0.000 0.000 0.241 369 W C -0.574 175.895 176.519 -0.084 0.000 1.122 369 W CA 0.393 57.698 57.345 -0.066 0.000 1.595 369 W CB 0.909 30.388 29.460 0.031 0.000 0.918 369 W HN 0.447 nan 8.180 nan 0.000 0.700 370 Q N 1.561 121.183 119.800 -0.297 0.000 2.331 370 Q HA 0.263 4.603 4.340 0.000 0.000 0.272 370 Q C -1.406 174.421 176.000 -0.288 0.000 1.062 370 Q CA -0.418 55.112 55.803 -0.455 0.000 0.806 370 Q CB 2.153 30.489 28.738 -0.670 0.000 1.312 370 Q HN 0.189 nan 8.270 nan 0.000 0.431 371 E N 1.351 121.416 120.200 -0.224 0.000 2.156 371 E HA 0.491 4.841 4.350 0.000 0.000 0.279 371 E C -0.756 175.775 176.600 -0.114 0.000 0.965 371 E CA -0.580 55.734 56.400 -0.143 0.000 0.789 371 E CB 1.849 31.490 29.700 -0.099 0.000 1.098 371 E HN 0.152 nan 8.360 nan 0.000 0.397 372 V N 3.804 123.680 119.914 -0.063 0.000 2.407 372 V HA 0.048 4.168 4.120 0.000 0.000 0.291 372 V C 0.200 176.316 176.094 0.037 0.000 1.018 372 V CA -0.632 61.656 62.300 -0.020 0.000 0.842 372 V CB 1.504 33.334 31.823 0.011 0.000 0.996 372 V HN 0.647 nan 8.190 nan 0.000 0.426 373 D N 2.128 122.551 120.400 0.038 0.000 2.078 373 D HA -0.069 4.571 4.640 0.000 0.000 0.193 373 D C 0.760 177.159 176.300 0.166 0.000 0.990 373 D CA 1.507 55.565 54.000 0.097 0.000 0.827 373 D CB 0.353 41.170 40.800 0.029 0.000 0.975 373 D HN 0.627 nan 8.370 nan 0.000 0.451 374 E N 0.197 120.476 120.200 0.131 0.000 2.101 374 E HA 0.262 4.612 4.350 0.000 0.000 0.260 374 E C -0.756 175.950 176.600 0.176 0.000 0.897 374 E CA -0.424 56.069 56.400 0.155 0.000 0.744 374 E CB 1.504 31.282 29.700 0.131 0.000 1.140 374 E HN 0.020 nan 8.360 nan 0.000 0.419 375 M N 4.138 123.902 119.600 0.273 0.000 2.149 375 M HA 0.292 4.772 4.480 0.000 0.000 0.342 375 M C -1.502 175.033 176.300 0.390 0.000 1.068 375 M CA -0.385 55.132 55.300 0.362 0.000 0.991 375 M CB 0.574 33.470 32.600 0.492 0.000 1.596 375 M HN 0.361 nan 8.290 nan 0.000 0.439 376 L N 5.223 126.591 121.223 0.242 0.000 2.265 376 L HA 0.522 4.862 4.340 0.000 0.000 0.288 376 L C 0.188 177.101 176.870 0.071 0.000 1.058 376 L CA -0.504 54.447 54.840 0.185 0.000 0.809 376 L CB 0.694 42.798 42.059 0.076 0.000 1.179 376 L HN 0.622 nan 8.230 nan 0.000 0.429 377 R N 3.296 123.787 120.500 -0.014 0.000 2.295 377 R HA 0.466 4.806 4.340 0.000 0.000 0.324 377 R C -1.102 175.160 176.300 -0.063 0.000 0.968 377 R CA -0.187 55.690 56.100 -0.371 0.000 0.837 377 R CB 1.608 31.486 30.300 -0.704 0.000 1.133 377 R HN 0.738 nan 8.270 nan 0.000 0.450 378 S N 2.762 118.433 115.700 -0.048 0.000 2.672 378 S HA 0.351 4.821 4.470 0.000 0.000 0.291 378 S C -0.921 173.711 174.600 0.054 0.000 1.145 378 S CA -1.022 57.188 58.200 0.017 0.000 1.013 378 S CB 1.675 64.861 63.200 -0.023 0.000 1.017 378 S HN 0.600 nan 8.310 nan 0.000 0.487 379 E N 2.757 122.978 120.200 0.035 0.000 2.194 379 E HA 0.518 4.869 4.350 0.000 0.000 0.284 379 E C -0.912 175.681 176.600 -0.012 0.000 1.035 379 E CA -0.653 55.660 56.400 -0.145 0.000 0.836 379 E CB 0.466 30.024 29.700 -0.237 0.000 1.070 379 E HN 0.789 nan 8.360 nan 0.000 0.401 380 Y N -1.042 119.139 120.300 -0.199 0.000 2.573 380 Y HA 0.470 5.021 4.550 0.000 0.000 0.328 380 Y C 0.323 176.158 175.900 -0.109 0.000 1.170 380 Y CA -0.705 57.311 58.100 -0.140 0.000 1.078 380 Y CB 0.716 39.114 38.460 -0.103 0.000 1.341 380 Y HN 0.548 nan 8.280 nan 0.000 0.459 381 G N 0.784 109.617 108.800 0.055 0.000 2.143 381 G HA2 0.178 4.139 3.960 0.000 0.000 0.248 381 G HA3 0.178 4.139 3.960 0.000 0.000 0.248 381 G C 1.229 176.085 174.900 -0.074 0.000 0.991 381 G CA 0.995 46.097 45.100 0.003 0.000 0.689 381 G HN 2.647 nan 8.290 nan 0.000 0.522 382 G N -2.152 106.579 108.800 -0.115 0.000 2.179 382 G HA2 -0.046 3.914 3.960 0.000 0.000 0.260 382 G HA3 -0.046 3.914 3.960 0.000 0.000 0.260 382 G C 0.418 175.221 174.900 -0.162 0.000 0.977 382 G CA 0.965 45.992 45.100 -0.122 0.000 0.641 382 G HN 1.809 nan 8.290 nan 0.000 0.533 383 S N -0.495 115.075 115.700 -0.216 0.000 2.607 383 S HA 0.822 5.292 4.470 0.000 0.000 0.303 383 S C -0.406 173.987 174.600 -0.346 0.000 1.086 383 S CA -0.670 57.411 58.200 -0.197 0.000 0.995 383 S CB 1.452 64.581 63.200 -0.118 0.000 1.084 383 S HN 0.269 nan 8.310 nan 0.000 0.507 384 F N 1.358 121.202 119.950 -0.178 0.000 2.370 384 F HA 0.607 5.134 4.527 0.000 0.000 0.319 384 F C 0.775 176.401 175.800 -0.290 0.000 1.129 384 F CA -0.381 57.428 58.000 -0.317 0.000 1.109 384 F CB 0.768 39.495 39.000 -0.454 0.000 1.262 384 F HN 0.279 nan 8.300 nan 0.000 0.534 385 R N 0.635 121.036 120.500 -0.165 0.000 2.686 385 R HA 0.543 4.883 4.340 0.000 0.000 0.286 385 R C -1.930 174.247 176.300 -0.205 0.000 0.969 385 R CA -0.581 55.483 56.100 -0.060 0.000 0.898 385 R CB 1.256 31.532 30.300 -0.041 0.000 1.183 385 R HN 0.349 nan 8.270 nan 0.000 0.456 386 F N 0.593 120.619 119.950 0.126 0.000 2.477 386 F HA 0.506 5.033 4.527 0.000 0.000 0.335 386 F C -0.100 175.835 175.800 0.226 0.000 1.130 386 F CA -0.463 57.614 58.000 0.128 0.000 0.948 386 F CB 2.243 41.299 39.000 0.094 0.000 1.154 386 F HN 0.287 nan 8.300 nan 0.000 0.439 387 S N 1.483 117.377 115.700 0.324 0.000 2.503 387 S HA 0.644 5.114 4.470 0.000 0.000 0.301 387 S C -0.717 174.040 174.600 0.262 0.000 1.087 387 S CA -0.811 57.575 58.200 0.310 0.000 1.042 387 S CB 1.909 65.305 63.200 0.328 0.000 1.043 387 S HN 0.497 nan 8.310 nan 0.000 0.489 388 S N 0.932 116.737 115.700 0.175 0.000 2.707 388 S HA 0.315 4.785 4.470 0.000 0.000 0.303 388 S C -0.008 174.525 174.600 -0.111 0.000 1.132 388 S CA -0.659 57.575 58.200 0.056 0.000 1.046 388 S CB 1.282 64.491 63.200 0.015 0.000 1.004 388 S HN 0.731 nan 8.310 nan 0.000 0.483 389 D N 4.073 124.473 120.400 -0.000 0.000 2.289 389 D HA 0.196 4.836 4.640 0.000 0.000 0.207 389 D C 1.973 178.168 176.300 -0.175 0.000 0.966 389 D CA 1.125 55.088 54.000 -0.062 0.000 0.868 389 D CB 0.137 41.011 40.800 0.124 0.000 0.943 389 D HN 0.643 nan 8.370 nan 0.000 0.514 390 A N 0.724 123.470 122.820 -0.123 0.000 1.883 390 A HA -0.134 4.186 4.320 0.000 0.000 0.217 390 A C 2.107 179.571 177.584 -0.200 0.000 1.186 390 A CA 1.641 53.600 52.037 -0.130 0.000 0.624 390 A CB -0.757 18.186 19.000 -0.095 0.000 0.822 390 A HN 0.528 nan 8.150 nan 0.000 0.444 391 I N -5.244 115.169 120.570 -0.262 0.000 4.082 391 I HA 0.262 4.432 4.170 0.000 0.000 0.337 391 I C 0.190 176.022 176.117 -0.476 0.000 1.352 391 I CA 0.478 61.593 61.300 -0.310 0.000 1.097 391 I CB 0.129 37.960 38.000 -0.281 0.000 1.048 391 I HN 0.071 nan 8.210 nan 0.000 0.393 392 S N 1.218 116.459 115.700 -0.766 0.000 3.631 392 S HA -0.152 4.318 4.470 0.000 0.000 0.366 392 S C 0.203 174.078 174.600 -1.208 0.000 0.993 392 S CA 1.060 58.331 58.200 -1.547 0.000 1.167 392 S CB -2.301 60.327 63.200 -0.954 0.000 0.909 392 S HN 0.766 nan 8.310 nan 0.000 0.478 393 T N 1.639 115.697 114.554 -0.827 0.000 2.861 393 T HA 0.598 4.948 4.350 0.000 0.000 0.287 393 T C -0.125 174.288 174.700 -0.478 0.000 1.003 393 T CA -0.542 61.185 62.100 -0.621 0.000 0.977 393 T CB 2.079 70.561 68.868 -0.642 0.000 0.996 393 T HN 0.136 nan 8.240 nan 0.000 0.448 394 T N 3.438 117.694 114.554 -0.497 0.000 2.847 394 T HA 0.609 4.959 4.350 0.000 0.000 0.291 394 T C -0.869 173.585 174.700 -0.410 0.000 0.998 394 T CA -0.465 61.490 62.100 -0.241 0.000 0.967 394 T CB 0.133 69.047 68.868 0.078 0.000 0.954 394 T HN 0.340 nan 8.240 nan 0.000 0.441 395 F N 1.035 121.048 119.950 0.105 0.000 2.483 395 F HA 0.689 5.216 4.527 0.000 0.000 0.329 395 F C 0.936 176.871 175.800 0.226 0.000 1.064 395 F CA -0.983 57.097 58.000 0.132 0.000 0.986 395 F CB 1.555 40.603 39.000 0.081 0.000 1.218 395 F HN 0.240 nan 8.300 nan 0.000 0.484 396 T N 0.451 115.255 114.554 0.416 0.000 2.906 396 T HA 0.473 4.823 4.350 0.000 0.000 0.302 396 T C -0.411 174.453 174.700 0.273 0.000 1.002 396 T CA -0.801 61.470 62.100 0.284 0.000 0.988 396 T CB 1.122 70.092 68.868 0.171 0.000 0.972 396 T HN 0.818 nan 8.240 nan 0.000 0.447 397 T N 1.329 116.061 114.554 0.297 0.000 2.942 397 T HA 0.589 4.939 4.350 0.000 0.000 0.289 397 T C 0.061 174.911 174.700 0.249 0.000 1.044 397 T CA -0.963 61.306 62.100 0.281 0.000 1.023 397 T CB 1.095 70.159 68.868 0.328 0.000 1.123 397 T HN 0.246 nan 8.240 nan 0.000 0.512 398 N N 0.652 119.505 118.700 0.255 0.000 2.371 398 N HA 0.172 4.912 4.740 0.000 0.000 0.243 398 N C 1.190 176.881 175.510 0.302 0.000 1.287 398 N CA -0.440 52.736 53.050 0.211 0.000 0.911 398 N CB 0.331 38.938 38.487 0.201 0.000 1.142 398 N HN 0.610 nan 8.380 nan 0.000 0.451 399 L N 0.154 121.462 121.223 0.143 0.000 2.551 399 L HA -0.032 4.308 4.340 0.000 0.000 0.228 399 L C 0.363 177.510 176.870 0.461 0.000 1.153 399 L CA 0.770 55.672 54.840 0.104 0.000 0.851 399 L CB -0.399 41.570 42.059 -0.151 0.000 0.959 399 L HN 0.443 nan 8.230 nan 0.000 0.451 400 T N -1.718 113.094 114.554 0.430 0.000 2.895 400 T HA 0.252 4.602 4.350 0.000 0.000 0.283 400 T C -0.055 174.895 174.700 0.418 0.000 1.014 400 T CA -0.786 61.545 62.100 0.384 0.000 1.037 400 T CB 2.274 71.270 68.868 0.214 0.000 1.006 400 T HN -0.011 nan 8.240 nan 0.000 0.468 401 E N 0.595 120.893 120.200 0.164 0.000 2.422 401 E HA 0.071 4.421 4.350 0.000 0.000 0.260 401 E C -1.276 175.328 176.600 0.008 0.000 1.108 401 E CA -0.114 56.149 56.400 -0.227 0.000 0.943 401 E CB 0.472 30.020 29.700 -0.255 0.000 0.961 401 E HN 0.628 nan 8.360 nan 0.000 0.443 402 Y N 3.825 124.044 120.300 -0.134 0.000 2.369 402 Y HA 0.292 4.842 4.550 0.000 0.000 0.337 402 Y C -2.260 173.613 175.900 -0.045 0.000 0.961 402 Y CA -2.727 55.355 58.100 -0.028 0.000 1.186 402 Y CB 1.046 39.519 38.460 0.020 0.000 1.139 402 Y HN 0.304 nan 8.280 nan 0.000 0.494 403 P HA -0.031 nan 4.420 nan 0.000 0.266 403 P C 0.356 177.431 177.300 -0.375 0.000 1.215 403 P CA 0.025 62.932 63.100 -0.322 0.000 0.763 403 P CB 0.954 32.465 31.700 -0.314 0.000 0.806 404 L N 3.431 124.474 121.223 -0.300 0.000 2.362 404 L HA -0.125 4.215 4.340 0.000 0.000 0.219 404 L C 1.833 178.556 176.870 -0.246 0.000 1.134 404 L CA 1.713 56.346 54.840 -0.345 0.000 0.807 404 L CB -1.190 40.526 42.059 -0.572 0.000 0.927 404 L HN 0.331 nan 8.230 nan 0.000 0.447 405 S N -2.155 113.415 115.700 -0.218 0.000 2.603 405 S HA -0.049 4.421 4.470 0.000 0.000 0.220 405 S C 1.929 176.434 174.600 -0.157 0.000 0.967 405 S CA -0.007 58.097 58.200 -0.161 0.000 0.920 405 S CB -0.344 62.778 63.200 -0.131 0.000 0.773 405 S HN 0.438 nan 8.310 nan 0.000 0.529 406 R N 0.801 121.168 120.500 -0.220 0.000 2.300 406 R HA 0.276 4.616 4.340 0.000 0.000 0.199 406 R C -0.430 175.811 176.300 -0.098 0.000 0.920 406 R CA 0.107 56.079 56.100 -0.213 0.000 1.046 406 R CB 0.230 30.263 30.300 -0.446 0.000 0.984 406 R HN 0.287 nan 8.270 nan 0.000 0.493 407 V N 1.097 120.971 119.914 -0.067 0.000 2.617 407 V HA 0.107 4.227 4.120 0.000 0.000 0.298 407 V C -0.347 175.737 176.094 -0.016 0.000 1.048 407 V CA -0.795 61.499 62.300 -0.010 0.000 0.964 407 V CB 1.654 33.472 31.823 -0.009 0.000 1.004 407 V HN 0.055 nan 8.190 nan 0.000 0.466 408 D N 2.896 123.305 120.400 0.015 0.000 2.277 408 D HA 0.375 5.015 4.640 0.000 0.000 0.249 408 D C 0.567 176.909 176.300 0.071 0.000 1.134 408 D CA -0.069 53.963 54.000 0.054 0.000 0.863 408 D CB 0.473 41.347 40.800 0.123 0.000 1.143 408 D HN 0.527 nan 8.370 nan 0.000 0.458 409 L N 2.833 124.084 121.223 0.046 0.000 3.739 409 L HA -0.210 4.130 4.340 0.000 0.000 0.442 409 L C 0.827 177.698 176.870 0.001 0.000 1.241 409 L CA 0.610 55.469 54.840 0.031 0.000 0.819 409 L CB -1.311 40.822 42.059 0.123 0.000 1.679 409 L HN 0.608 nan 8.230 nan 0.000 0.889 410 G N -0.787 107.989 108.800 -0.041 0.000 4.420 410 G HA2 0.329 4.289 3.960 0.000 0.000 0.299 410 G HA3 0.329 4.289 3.960 0.000 0.000 0.299 410 G C 0.425 175.254 174.900 -0.118 0.000 1.343 410 G CA -0.264 44.785 45.100 -0.084 0.000 1.272 410 G HN 0.383 nan 8.290 nan 0.000 0.610 411 D N 0.329 120.674 120.400 -0.092 0.000 2.424 411 D HA 0.014 4.654 4.640 0.000 0.000 0.220 411 D C 2.097 178.353 176.300 -0.073 0.000 1.150 411 D CA -0.031 53.912 54.000 -0.094 0.000 0.831 411 D CB 0.578 41.328 40.800 -0.082 0.000 0.981 411 D HN 0.508 nan 8.370 nan 0.000 0.500 412 c N -1.517 117.045 118.600 -0.064 0.000 2.551 412 c HA 0.265 4.835 4.570 0.000 0.000 0.277 412 c C 2.484 176.555 174.090 -0.031 0.000 1.349 412 c CA -0.318 56.001 56.329 -0.018 0.000 1.750 412 c CB -0.953 41.572 42.510 0.026 0.000 2.058 412 c HN 0.119 nan 8.230 nan 0.000 0.518 413 I N 2.814 123.283 120.570 -0.169 0.000 2.090 413 I HA 0.015 4.185 4.170 0.000 0.000 0.236 413 I C 3.077 179.086 176.117 -0.180 0.000 1.064 413 I CA 1.947 63.017 61.300 -0.384 0.000 1.324 413 I CB -1.185 36.441 38.000 -0.624 0.000 1.044 413 I HN 0.450 nan 8.210 nan 0.000 0.399 414 G N 1.098 109.785 108.800 -0.187 0.000 2.599 414 G HA2 -0.315 3.645 3.960 0.000 0.000 0.219 414 G HA3 -0.315 3.645 3.960 0.000 0.000 0.219 414 G C 1.727 176.663 174.900 0.060 0.000 1.193 414 G CA 1.276 46.338 45.100 -0.064 0.000 0.778 414 G HN 0.343 nan 8.290 nan 0.000 0.589 415 K N -0.038 120.383 120.400 0.035 0.000 2.155 415 K HA 0.001 4.321 4.320 0.000 0.000 0.203 415 K C 2.162 178.827 176.600 0.108 0.000 1.052 415 K CA 1.019 57.343 56.287 0.062 0.000 0.948 415 K CB -0.027 32.494 32.500 0.036 0.000 0.728 415 K HN 0.143 nan 8.250 nan 0.000 0.448 416 D N 0.884 121.376 120.400 0.154 0.000 2.144 416 D HA -0.102 4.538 4.640 0.000 0.000 0.200 416 D C 1.820 178.279 176.300 0.265 0.000 0.978 416 D CA 1.130 55.264 54.000 0.225 0.000 0.833 416 D CB -0.167 40.844 40.800 0.352 0.000 0.961 416 D HN 0.168 nan 8.370 nan 0.000 0.470 417 A N 1.825 124.861 122.820 0.360 0.000 1.842 417 A HA -0.256 4.064 4.320 0.000 0.000 0.217 417 A C 2.152 179.835 177.584 0.165 0.000 1.206 417 A CA 1.900 54.132 52.037 0.324 0.000 0.630 417 A CB -0.626 18.604 19.000 0.382 0.000 0.839 417 A HN 0.192 nan 8.150 nan 0.000 0.447 418 R N -0.515 120.066 120.500 0.134 0.000 2.096 418 R HA -0.196 4.144 4.340 0.000 0.000 0.240 418 R C 1.964 178.303 176.300 0.066 0.000 1.139 418 R CA 1.555 57.701 56.100 0.077 0.000 0.952 418 R CB -0.860 29.478 30.300 0.063 0.000 0.854 418 R HN 0.634 nan 8.270 nan 0.000 0.436 419 D N 0.918 121.362 120.400 0.074 0.000 2.106 419 D HA -0.176 4.464 4.640 0.000 0.000 0.191 419 D C 1.866 178.201 176.300 0.058 0.000 0.997 419 D CA 2.043 56.079 54.000 0.061 0.000 0.834 419 D CB -0.127 40.710 40.800 0.062 0.000 0.956 419 D HN 0.254 nan 8.370 nan 0.000 0.448 420 A N -0.233 122.624 122.820 0.061 0.000 1.897 420 A HA -0.070 4.250 4.320 0.000 0.000 0.215 420 A C 2.475 180.094 177.584 0.057 0.000 1.181 420 A CA 1.509 53.574 52.037 0.047 0.000 0.620 420 A CB -0.541 18.476 19.000 0.029 0.000 0.821 420 A HN 0.315 nan 8.150 nan 0.000 0.443 421 M N -0.321 119.316 119.600 0.063 0.000 2.091 421 M HA -0.175 4.305 4.480 0.000 0.000 0.259 421 M C 1.795 178.163 176.300 0.113 0.000 1.076 421 M CA 1.915 57.259 55.300 0.073 0.000 1.111 421 M CB -0.738 31.883 32.600 0.034 0.000 1.291 421 M HN 0.299 nan 8.290 nan 0.000 0.417 422 D N -0.034 120.409 120.400 0.073 0.000 2.191 422 D HA -0.240 4.400 4.640 0.000 0.000 0.190 422 D C 1.868 178.254 176.300 0.142 0.000 1.007 422 D CA 1.603 55.655 54.000 0.088 0.000 0.865 422 D CB -0.542 40.284 40.800 0.044 0.000 0.929 422 D HN 0.332 nan 8.370 nan 0.000 0.447 423 R N 0.259 120.819 120.500 0.099 0.000 2.083 423 R HA -0.100 4.240 4.340 0.000 0.000 0.237 423 R C 2.515 178.870 176.300 0.092 0.000 1.137 423 R CA 1.099 57.248 56.100 0.082 0.000 0.951 423 R CB -0.267 30.064 30.300 0.052 0.000 0.851 423 R HN 0.191 nan 8.270 nan 0.000 0.434 424 I N -0.286 120.349 120.570 0.109 0.000 2.193 424 I HA -0.231 3.939 4.170 0.000 0.000 0.240 424 I C 2.114 178.328 176.117 0.161 0.000 1.084 424 I CA 1.012 62.373 61.300 0.101 0.000 1.365 424 I CB -0.375 37.692 38.000 0.112 0.000 1.064 424 I HN 0.173 nan 8.210 nan 0.000 0.410 425 F N 1.923 121.954 119.950 0.135 0.000 2.115 425 F HA -0.363 4.164 4.527 0.000 0.000 0.300 425 F C 2.423 178.298 175.800 0.124 0.000 1.092 425 F CA 1.677 59.807 58.000 0.218 0.000 1.245 425 F CB -0.272 38.801 39.000 0.122 0.000 0.995 425 F HN 0.050 nan 8.300 nan 0.000 0.481 426 A N 0.610 123.583 122.820 0.256 0.000 1.841 426 A HA -0.256 4.064 4.320 0.000 0.000 0.216 426 A C 2.305 179.868 177.584 -0.035 0.000 1.199 426 A CA 1.736 53.845 52.037 0.120 0.000 0.621 426 A CB -1.035 18.041 19.000 0.128 0.000 0.835 426 A HN 0.441 nan 8.150 nan 0.000 0.445 427 R N -0.849 119.629 120.500 -0.037 0.000 2.395 427 R HA -0.044 4.296 4.340 0.000 0.000 0.203 427 R C 1.565 177.749 176.300 -0.194 0.000 1.076 427 R CA 1.421 57.467 56.100 -0.090 0.000 1.059 427 R CB -0.102 30.160 30.300 -0.063 0.000 0.860 427 R HN 0.593 nan 8.270 nan 0.000 0.476 428 R N -2.564 117.747 120.500 -0.314 0.000 2.570 428 R HA 0.044 4.384 4.340 0.000 0.000 0.203 428 R C 0.128 175.949 176.300 -0.798 0.000 0.968 428 R CA 0.011 55.758 56.100 -0.590 0.000 1.514 428 R CB 0.233 30.047 30.300 -0.811 0.000 1.719 428 R HN 0.198 nan 8.270 nan 0.000 0.503 429 Y N 0.271 120.291 120.300 -0.466 0.000 2.425 429 Y HA 0.169 4.719 4.550 0.000 0.000 0.261 429 Y C 1.634 177.080 175.900 -0.756 0.000 1.084 429 Y CA 0.020 57.737 58.100 -0.638 0.000 1.248 429 Y CB 0.429 38.329 38.460 -0.933 0.000 1.270 429 Y HN 0.114 nan 8.280 nan 0.000 0.524 430 N N 1.683 119.981 118.700 -0.670 0.000 2.334 430 N HA -0.182 4.558 4.740 0.000 0.000 0.187 430 N C 1.247 176.726 175.510 -0.051 0.000 1.016 430 N CA 1.687 54.572 53.050 -0.276 0.000 0.879 430 N CB -0.042 38.448 38.487 0.005 0.000 0.965 430 N HN 0.387 nan 8.380 nan 0.000 0.438 431 A N -0.054 122.730 122.820 -0.059 0.000 1.944 431 A HA 0.141 4.461 4.320 0.000 0.000 0.209 431 A C 2.131 179.717 177.584 0.003 0.000 1.328 431 A CA 1.076 53.106 52.037 -0.011 0.000 0.693 431 A CB -0.569 18.418 19.000 -0.023 0.000 0.994 431 A HN 0.349 nan 8.150 nan 0.000 0.485 432 T N -0.076 114.502 114.554 0.039 0.000 3.088 432 T HA 0.187 4.537 4.350 0.000 0.000 0.259 432 T C 0.136 174.685 174.700 -0.251 0.000 1.122 432 T CA 1.001 63.072 62.100 -0.047 0.000 1.095 432 T CB -0.279 68.620 68.868 0.051 0.000 0.930 432 T HN 0.606 nan 8.240 nan 0.000 0.508 433 H N -1.323 117.762 119.070 0.026 0.000 2.966 433 H HA 0.740 5.296 4.556 0.000 0.000 0.330 433 H C -1.166 174.244 175.328 0.137 0.000 1.292 433 H CA -1.040 55.051 56.048 0.072 0.000 1.127 433 H CB 1.291 31.111 29.762 0.096 0.000 1.863 433 H HN 0.012 nan 8.280 nan 0.000 0.543 434 I N -0.443 120.367 120.570 0.399 0.000 3.095 434 I HA 0.371 4.541 4.170 0.000 0.000 0.310 434 I C -1.108 175.285 176.117 0.460 0.000 1.196 434 I CA -0.868 60.749 61.300 0.529 0.000 0.985 434 I CB 1.837 39.999 38.000 0.270 0.000 1.250 434 I HN 0.554 nan 8.210 nan 0.000 0.446 435 K N 2.209 122.746 120.400 0.228 0.000 2.132 435 K HA 0.625 4.946 4.320 0.000 0.000 0.240 435 K C -1.287 175.357 176.600 0.073 0.000 1.036 435 K CA -0.595 55.697 56.287 0.010 0.000 0.888 435 K CB 0.629 32.979 32.500 -0.251 0.000 1.071 435 K HN 0.348 nan 8.250 nan 0.000 0.502 436 V N 1.241 121.120 119.914 -0.060 0.000 2.555 436 V HA 0.403 4.523 4.120 0.000 0.000 0.283 436 V C -0.052 175.841 176.094 -0.335 0.000 1.020 436 V CA -0.278 61.904 62.300 -0.196 0.000 0.883 436 V CB 0.704 32.448 31.823 -0.131 0.000 1.030 436 V HN 1.084 nan 8.190 nan 0.000 0.448 437 G N 4.493 112.988 108.800 -0.508 0.000 2.828 437 G HA2 -0.103 3.857 3.960 0.000 0.000 0.463 437 G HA3 -0.103 3.857 3.960 0.000 0.000 0.463 437 G C -0.813 174.005 174.900 -0.137 0.000 1.394 437 G CA -0.692 44.216 45.100 -0.320 0.000 0.862 437 G HN 0.598 nan 8.290 nan 0.000 0.540 438 Q N 0.227 119.984 119.800 -0.073 0.000 2.235 438 Q HA 0.490 4.830 4.340 0.000 0.000 0.250 438 Q C -2.024 173.936 176.000 -0.066 0.000 0.909 438 Q CA -1.610 54.165 55.803 -0.047 0.000 0.910 438 Q CB 0.726 29.462 28.738 -0.004 0.000 1.223 438 Q HN 0.425 nan 8.270 nan 0.000 0.432 439 P HA -0.134 nan 4.420 nan 0.000 0.267 439 P C -0.651 176.480 177.300 -0.282 0.000 1.175 439 P CA 0.820 63.806 63.100 -0.189 0.000 0.763 439 P CB 0.453 32.054 31.700 -0.165 0.000 0.795 440 Q N 0.988 120.538 119.800 -0.417 0.000 2.445 440 Q HA 0.634 4.974 4.340 0.000 0.000 0.281 440 Q C -1.146 174.372 176.000 -0.803 0.000 1.101 440 Q CA -0.649 54.902 55.803 -0.419 0.000 0.833 440 Q CB 1.713 30.354 28.738 -0.161 0.000 1.416 440 Q HN 0.378 nan 8.270 nan 0.000 0.451 441 Y N -0.223 119.914 120.300 -0.270 0.000 2.421 441 Y HA 0.524 5.074 4.550 0.000 0.000 0.339 441 Y C -1.292 174.403 175.900 -0.343 0.000 0.996 441 Y CA -0.767 57.233 58.100 -0.168 0.000 1.046 441 Y CB 1.473 39.906 38.460 -0.046 0.000 1.226 441 Y HN 0.492 nan 8.280 nan 0.000 0.445 442 Y N 1.946 122.322 120.300 0.128 0.000 2.553 442 Y HA 0.593 5.143 4.550 0.000 0.000 0.347 442 Y C -1.186 174.698 175.900 -0.027 0.000 1.019 442 Y CA -1.216 56.939 58.100 0.092 0.000 1.032 442 Y CB 1.961 40.434 38.460 0.022 0.000 1.284 442 Y HN 0.476 nan 8.280 nan 0.000 0.466 443 L N 2.709 123.999 121.223 0.111 0.000 2.277 443 L HA 0.795 5.135 4.340 0.000 0.000 0.284 443 L C -0.104 176.806 176.870 0.067 0.000 1.028 443 L CA -0.453 54.331 54.840 -0.094 0.000 0.835 443 L CB 0.097 41.922 42.059 -0.390 0.000 1.215 443 L HN 0.733 nan 8.230 nan 0.000 0.425 444 A N 4.166 127.052 122.820 0.111 0.000 2.332 444 A HA 0.447 4.767 4.320 0.000 0.000 0.258 444 A C 0.122 177.858 177.584 0.255 0.000 1.087 444 A CA -0.572 51.608 52.037 0.238 0.000 0.802 444 A CB 0.095 19.293 19.000 0.330 0.000 1.042 444 A HN 0.766 nan 8.150 nan 0.000 0.489 445 N N -0.162 118.709 118.700 0.286 0.000 2.453 445 N HA 0.369 5.109 4.740 0.000 0.000 0.253 445 N C 1.120 176.830 175.510 0.332 0.000 1.252 445 N CA 1.381 54.555 53.050 0.207 0.000 0.917 445 N CB 0.917 39.490 38.487 0.143 0.000 1.117 445 N HN 1.288 nan 8.380 nan 0.000 0.442 446 G N -0.251 108.605 108.800 0.094 0.000 2.195 446 G HA2 -0.183 3.777 3.960 0.000 0.000 0.246 446 G HA3 -0.183 3.777 3.960 0.000 0.000 0.246 446 G C 0.610 175.418 174.900 -0.153 0.000 0.984 446 G CA 0.375 45.536 45.100 0.102 0.000 0.633 446 G HN 1.344 nan 8.290 nan 0.000 0.525 447 G N -0.919 107.832 108.800 -0.080 0.000 2.256 447 G HA2 -0.059 3.901 3.960 0.000 0.000 0.272 447 G HA3 -0.059 3.901 3.960 0.000 0.000 0.272 447 G C 0.073 174.766 174.900 -0.345 0.000 1.076 447 G CA 0.434 45.405 45.100 -0.215 0.000 0.882 447 G HN 1.248 nan 8.290 nan 0.000 0.497 448 F N -1.269 118.691 119.950 0.017 0.000 2.425 448 F HA 0.746 5.274 4.527 0.000 0.000 0.331 448 F C 0.397 176.165 175.800 -0.054 0.000 1.085 448 F CA -1.343 56.658 58.000 0.001 0.000 1.028 448 F CB 1.819 40.828 39.000 0.014 0.000 1.177 448 F HN 0.119 nan 8.300 nan 0.000 0.487 449 L N 4.252 125.588 121.223 0.188 0.000 2.343 449 L HA 0.606 4.946 4.340 0.000 0.000 0.278 449 L C -1.107 175.910 176.870 0.246 0.000 0.996 449 L CA -0.357 54.563 54.840 0.133 0.000 0.831 449 L CB 0.872 42.982 42.059 0.084 0.000 1.232 449 L HN 0.443 nan 8.230 nan 0.000 0.413 450 I N 5.205 125.821 120.570 0.076 0.000 2.339 450 I HA 0.599 4.769 4.170 0.000 0.000 0.290 450 I C 0.268 176.446 176.117 0.102 0.000 0.994 450 I CA -0.590 60.698 61.300 -0.020 0.000 1.191 450 I CB 1.709 39.445 38.000 -0.439 0.000 1.343 450 I HN 0.765 nan 8.210 nan 0.000 0.458 451 A N 6.563 129.513 122.820 0.217 0.000 2.301 451 A HA 0.536 4.856 4.320 0.000 0.000 0.298 451 A C -1.301 176.318 177.584 0.058 0.000 1.185 451 A CA -0.149 51.921 52.037 0.056 0.000 0.830 451 A CB 0.341 19.507 19.000 0.276 0.000 1.112 451 A HN 0.629 nan 8.150 nan 0.000 0.508 452 Y N 1.519 121.718 120.300 -0.168 0.000 2.373 452 Y HA 0.517 5.067 4.550 0.000 0.000 0.336 452 Y C -0.311 175.545 175.900 -0.075 0.000 0.979 452 Y CA -0.737 57.330 58.100 -0.056 0.000 1.080 452 Y CB 2.129 40.630 38.460 0.069 0.000 1.190 452 Y HN 0.659 nan 8.280 nan 0.000 0.446 453 Q N 8.414 127.928 119.800 -0.476 0.000 2.431 453 Q HA 0.487 4.828 4.340 0.000 0.000 0.249 453 Q C -2.849 172.784 176.000 -0.612 0.000 1.025 453 Q CA -2.689 52.868 55.803 -0.410 0.000 0.835 453 Q CB 1.275 29.869 28.738 -0.241 0.000 1.207 453 Q HN 0.322 nan 8.270 nan 0.000 0.490 454 P HA 0.005 nan 4.420 nan 0.000 0.264 454 P C -0.862 176.315 177.300 -0.205 0.000 1.193 454 P CA 0.422 63.339 63.100 -0.305 0.000 0.763 454 P CB 0.583 32.234 31.700 -0.082 0.000 0.810 455 L N 3.128 124.242 121.223 -0.183 0.000 2.347 455 L HA 0.750 5.090 4.340 0.000 0.000 0.268 455 L C -0.298 176.607 176.870 0.060 0.000 1.019 455 L CA -1.058 53.715 54.840 -0.111 0.000 0.806 455 L CB 0.929 42.732 42.059 -0.425 0.000 1.339 455 L HN 0.176 nan 8.230 nan 0.000 0.463 456 L N 0.150 121.487 121.223 0.189 0.000 2.641 456 L HA 0.315 4.655 4.340 0.000 0.000 0.261 456 L C -0.542 176.441 176.870 0.188 0.000 0.926 456 L CA -0.203 54.764 54.840 0.212 0.000 0.917 456 L CB 2.038 44.216 42.059 0.199 0.000 1.361 456 L HN 0.626 nan 8.230 nan 0.000 0.417 457 S N 2.698 118.426 115.700 0.046 0.000 2.549 457 S HA 0.256 4.726 4.470 0.000 0.000 0.279 457 S C 0.826 175.369 174.600 -0.096 0.000 1.321 457 S CA -0.366 57.667 58.200 -0.278 0.000 1.054 457 S CB 0.623 63.652 63.200 -0.286 0.000 0.899 457 S HN 0.692 nan 8.310 nan 0.000 0.497 458 N N 2.942 121.575 118.700 -0.112 0.000 2.334 458 N HA -0.126 4.614 4.740 0.000 0.000 0.187 458 N C 1.495 176.984 175.510 -0.034 0.000 1.016 458 N CA 1.568 54.587 53.050 -0.051 0.000 0.879 458 N CB -1.165 37.289 38.487 -0.055 0.000 0.965 458 N HN 0.741 nan 8.380 nan 0.000 0.438 459 T N 1.639 116.163 114.554 -0.050 0.000 2.684 459 T HA -0.042 4.308 4.350 0.000 0.000 0.267 459 T C 1.619 176.323 174.700 0.006 0.000 1.036 459 T CA 0.856 62.943 62.100 -0.022 0.000 1.148 459 T CB -0.123 68.729 68.868 -0.027 0.000 0.863 459 T HN 0.238 nan 8.240 nan 0.000 0.436 460 L N 0.810 122.045 121.223 0.021 0.000 2.728 460 L HA 0.393 4.733 4.340 0.000 0.000 0.235 460 L C 2.417 179.330 176.870 0.073 0.000 1.197 460 L CA -0.263 54.606 54.840 0.048 0.000 0.992 460 L CB -0.550 41.545 42.059 0.061 0.000 1.263 460 L HN 0.162 nan 8.230 nan 0.000 0.484 461 A N 0.606 123.462 122.820 0.060 0.000 2.148 461 A HA -0.229 4.091 4.320 0.000 0.000 0.222 461 A C 2.046 179.702 177.584 0.119 0.000 1.161 461 A CA 1.631 53.718 52.037 0.084 0.000 0.662 461 A CB -0.231 18.781 19.000 0.019 0.000 0.799 461 A HN 0.479 nan 8.150 nan 0.000 0.466 462 E N -0.454 119.798 120.200 0.088 0.000 2.204 462 E HA -0.135 4.215 4.350 0.000 0.000 0.195 462 E C 1.185 177.850 176.600 0.108 0.000 0.990 462 E CA 1.184 57.636 56.400 0.085 0.000 0.821 462 E CB -0.253 29.482 29.700 0.058 0.000 0.750 462 E HN 0.646 nan 8.360 nan 0.000 0.477 463 L N -0.603 120.692 121.223 0.120 0.000 2.607 463 L HA 0.101 4.441 4.340 0.000 0.000 0.228 463 L C 1.602 178.561 176.870 0.149 0.000 1.123 463 L CA 0.171 55.078 54.840 0.111 0.000 0.890 463 L CB -0.535 41.576 42.059 0.086 0.000 1.103 463 L HN 0.059 nan 8.230 nan 0.000 0.468 464 Y N 0.985 121.332 120.300 0.077 0.000 2.096 464 Y HA -0.356 4.194 4.550 0.000 0.000 0.278 464 Y C 2.288 178.271 175.900 0.138 0.000 1.192 464 Y CA 2.226 60.394 58.100 0.114 0.000 1.143 464 Y CB -0.250 38.273 38.460 0.105 0.000 0.963 464 Y HN 0.029 nan 8.280 nan 0.000 0.505 465 V N 0.593 120.584 119.914 0.128 0.000 2.358 465 V HA -0.274 3.846 4.120 0.000 0.000 0.246 465 V C 2.421 178.519 176.094 0.006 0.000 1.047 465 V CA 2.111 64.424 62.300 0.021 0.000 1.035 465 V CB -0.914 30.956 31.823 0.077 0.000 0.658 465 V HN 0.290 nan 8.190 nan 0.000 0.452 466 R N 1.382 121.905 120.500 0.038 0.000 2.075 466 R HA -0.178 4.162 4.340 0.000 0.000 0.230 466 R C 2.153 178.469 176.300 0.026 0.000 1.140 466 R CA 2.235 58.355 56.100 0.034 0.000 0.928 466 R CB -0.927 29.399 30.300 0.044 0.000 0.834 466 R HN 0.612 nan 8.270 nan 0.000 0.429 467 E N -1.006 119.208 120.200 0.023 0.000 2.118 467 E HA -0.249 4.101 4.350 0.000 0.000 0.195 467 E C 1.987 178.570 176.600 -0.028 0.000 0.992 467 E CA 1.548 57.954 56.400 0.009 0.000 0.804 467 E CB -0.356 29.353 29.700 0.016 0.000 0.741 467 E HN 0.585 nan 8.360 nan 0.000 0.458 468 H N -0.295 118.669 119.070 -0.176 0.000 2.539 468 H HA -0.132 4.424 4.556 0.000 0.000 0.292 468 H C 1.793 177.055 175.328 -0.110 0.000 1.069 468 H CA 0.874 56.786 56.048 -0.226 0.000 1.244 468 H CB 0.229 29.731 29.762 -0.434 0.000 1.365 468 H HN 0.100 nan 8.280 nan 0.000 0.575 469 L N -0.538 120.717 121.223 0.054 0.000 2.269 469 L HA 0.073 4.413 4.340 0.000 0.000 0.200 469 L C 2.037 178.932 176.870 0.042 0.000 1.069 469 L CA 1.038 55.908 54.840 0.050 0.000 0.804 469 L CB -0.351 41.731 42.059 0.040 0.000 0.987 469 L HN -0.035 nan 8.230 nan 0.000 0.468 470 R N 0.789 121.313 120.500 0.041 0.000 2.117 470 R HA -0.092 4.248 4.340 0.000 0.000 0.243 470 R C 1.484 177.828 176.300 0.075 0.000 1.143 470 R CA 1.095 57.231 56.100 0.061 0.000 0.968 470 R CB -0.873 29.465 30.300 0.064 0.000 0.863 470 R HN 0.498 nan 8.270 nan 0.000 0.444 471 E N 1.213 121.435 120.200 0.038 0.000 2.405 471 E HA -0.073 4.277 4.350 0.000 0.000 0.194 471 E C 0.501 177.122 176.600 0.037 0.000 1.149 471 E CA 0.385 56.806 56.400 0.035 0.000 0.933 471 E CB 0.032 29.708 29.700 -0.041 0.000 1.028 471 E HN 0.485 nan 8.360 nan 0.000 0.487 472 Q N -1.265 118.569 119.800 0.056 0.000 2.036 472 Q HA 0.086 4.427 4.340 0.000 0.000 0.208 472 Q C 1.363 177.405 176.000 0.071 0.000 0.770 472 Q CA 0.134 55.970 55.803 0.054 0.000 0.992 472 Q CB 0.824 29.587 28.738 0.042 0.000 1.209 472 Q HN 0.172 nan 8.270 nan 0.000 0.445 473 S N 0.328 116.086 115.700 0.096 0.000 2.406 473 S HA -0.029 4.441 4.470 0.000 0.000 0.224 473 S C 1.742 176.418 174.600 0.126 0.000 1.030 473 S CA 0.295 58.555 58.200 0.100 0.000 0.958 473 S CB 0.018 63.278 63.200 0.101 0.000 0.811 473 S HN 0.151 nan 8.310 nan 0.000 0.489 474 R N 1.755 122.365 120.500 0.184 0.000 2.236 474 R HA 0.284 4.624 4.340 0.000 0.000 0.208 474 R C 0.584 176.962 176.300 0.131 0.000 1.036 474 R CA 0.274 56.512 56.100 0.229 0.000 1.001 474 R CB -0.338 30.225 30.300 0.438 0.000 0.896 474 R HN 0.293 nan 8.270 nan 0.000 0.464 475 K N 1.961 122.411 120.400 0.083 0.000 2.591 475 K HA -0.042 4.278 4.320 0.000 0.000 0.280 475 K C -1.950 174.665 176.600 0.025 0.000 0.964 475 K CA -0.475 55.832 56.287 0.033 0.000 1.014 475 K CB -0.295 32.224 32.500 0.032 0.000 0.877 475 K HN -0.044 nan 8.250 nan 0.000 0.502 493 E N 1.756 121.970 120.200 0.023 0.000 2.430 493 E HA 0.872 5.222 4.350 0.000 0.000 0.279 493 E C -1.098 175.503 176.600 0.001 0.000 1.003 493 E CA -0.800 55.614 56.400 0.023 0.000 0.801 493 E CB 2.334 32.055 29.700 0.035 0.000 1.313 493 E HN 1.021 nan 8.360 nan 0.000 0.459 494 R N 0.900 121.373 120.500 -0.045 0.000 2.393 494 R HA 0.675 5.015 4.340 0.000 0.000 0.310 494 R C -0.835 175.401 176.300 -0.106 0.000 0.968 494 R CA -0.550 55.479 56.100 -0.119 0.000 0.867 494 R CB 0.711 30.854 30.300 -0.262 0.000 1.124 494 R HN 0.619 nan 8.270 nan 0.000 0.450 495 I N 5.126 125.627 120.570 -0.115 0.000 2.352 495 I HA 0.169 4.339 4.170 0.000 0.000 0.290 495 I C -0.022 176.003 176.117 -0.152 0.000 1.036 495 I CA -0.584 60.641 61.300 -0.125 0.000 1.336 495 I CB 1.178 39.093 38.000 -0.141 0.000 1.407 495 I HN 0.347 nan 8.210 nan 0.000 0.497 496 K N 5.543 125.855 120.400 -0.146 0.000 2.285 496 K HA 0.350 4.670 4.320 0.000 0.000 0.286 496 K C -0.264 176.210 176.600 -0.211 0.000 1.072 496 K CA -0.355 55.837 56.287 -0.158 0.000 0.913 496 K CB 0.678 33.103 32.500 -0.124 0.000 1.067 496 K HN 0.453 nan 8.250 nan 0.000 0.479 497 T N 1.445 115.840 114.554 -0.266 0.000 2.875 497 T HA 0.142 4.492 4.350 0.000 0.000 0.284 497 T C 0.413 174.923 174.700 -0.316 0.000 0.995 497 T CA -0.335 61.516 62.100 -0.415 0.000 1.060 497 T CB 1.438 69.967 68.868 -0.565 0.000 0.967 497 T HN 0.478 nan 8.240 nan 0.000 0.476 498 T N 0.837 115.205 114.554 -0.309 0.000 2.868 498 T HA 0.141 4.491 4.350 0.000 0.000 0.292 498 T C 1.410 176.050 174.700 -0.099 0.000 1.028 498 T CA -0.416 61.596 62.100 -0.146 0.000 1.059 498 T CB 0.508 69.333 68.868 -0.072 0.000 0.991 498 T HN 0.487 nan 8.240 nan 0.000 0.531 499 S N 1.690 117.364 115.700 -0.043 0.000 2.496 499 S HA 0.146 4.616 4.470 0.000 0.000 0.224 499 S C 0.746 175.380 174.600 0.057 0.000 0.996 499 S CA 0.019 58.207 58.200 -0.020 0.000 0.927 499 S CB 0.078 63.268 63.200 -0.016 0.000 0.774 499 S HN 0.651 nan 8.310 nan 0.000 0.524 500 S N 0.576 116.351 115.700 0.124 0.000 2.449 500 S HA 0.494 4.964 4.470 0.000 0.000 0.310 500 S C 0.079 174.908 174.600 0.382 0.000 1.096 500 S CA -0.608 57.709 58.200 0.195 0.000 1.095 500 S CB 1.003 64.297 63.200 0.157 0.000 1.007 500 S HN 0.190 nan 8.310 nan 0.000 0.474 501 I N 5.026 125.760 120.570 0.273 0.000 3.956 501 I HA 0.213 4.383 4.170 0.000 0.000 0.333 501 I C 1.930 177.998 176.117 -0.082 0.000 1.302 501 I CA 0.177 61.565 61.300 0.147 0.000 1.122 501 I CB -0.306 37.758 38.000 0.107 0.000 1.013 501 I HN 0.925 nan 8.210 nan 0.000 0.405 502 E N 1.135 121.390 120.200 0.091 0.000 2.085 502 E HA -0.314 4.036 4.350 0.000 0.000 0.194 502 E C 2.110 178.701 176.600 -0.016 0.000 0.994 502 E CA 1.999 58.414 56.400 0.025 0.000 0.801 502 E CB -1.018 28.726 29.700 0.073 0.000 0.743 502 E HN 0.550 nan 8.360 nan 0.000 0.453 503 F N 1.767 121.719 119.950 0.003 0.000 2.065 503 F HA -0.142 4.386 4.527 0.000 0.000 0.298 503 F C 2.471 178.253 175.800 -0.029 0.000 1.112 503 F CA 1.283 59.280 58.000 -0.005 0.000 1.212 503 F CB -0.837 38.174 39.000 0.018 0.000 0.975 503 F HN 0.073 nan 8.300 nan 0.000 0.476 504 A N 0.680 122.666 122.820 -1.390 0.000 2.067 504 A HA -0.048 4.272 4.320 0.000 0.000 0.219 504 A C 2.302 179.580 177.584 -0.511 0.000 1.158 504 A CA 1.229 52.667 52.037 -0.997 0.000 0.661 504 A CB -0.675 17.465 19.000 -1.433 0.000 0.801 504 A HN 0.566 nan 8.150 nan 0.000 0.452 505 R N -0.801 119.462 120.500 -0.394 0.000 2.100 505 R HA 0.173 4.513 4.340 0.000 0.000 0.220 505 R C 1.895 178.172 176.300 -0.037 0.000 1.091 505 R CA 0.742 56.719 56.100 -0.206 0.000 0.986 505 R CB -0.395 29.789 30.300 -0.195 0.000 0.888 505 R HN 0.446 nan 8.270 nan 0.000 0.444 506 L N 0.831 122.031 121.223 -0.038 0.000 1.994 506 L HA -0.231 4.109 4.340 0.000 0.000 0.208 506 L C 2.695 179.610 176.870 0.075 0.000 1.071 506 L CA 1.360 56.217 54.840 0.028 0.000 0.745 506 L CB -0.461 41.607 42.059 0.016 0.000 0.892 506 L HN 0.107 nan 8.230 nan 0.000 0.431 507 Q N -0.087 119.733 119.800 0.034 0.000 2.096 507 Q HA -0.300 4.040 4.340 0.000 0.000 0.208 507 Q C 2.002 178.086 176.000 0.139 0.000 0.993 507 Q CA 2.284 58.130 55.803 0.071 0.000 0.862 507 Q CB -0.551 28.203 28.738 0.026 0.000 0.915 507 Q HN 0.471 nan 8.270 nan 0.000 0.416 508 F N -0.444 119.471 119.950 -0.058 0.000 2.146 508 F HA -0.155 4.372 4.527 0.000 0.000 0.298 508 F C 1.883 177.678 175.800 -0.008 0.000 1.096 508 F CA 1.886 59.852 58.000 -0.056 0.000 1.275 508 F CB -0.374 38.510 39.000 -0.192 0.000 1.008 508 F HN 0.047 nan 8.300 nan 0.000 0.480 509 T N -0.541 114.137 114.554 0.206 0.000 2.770 509 T HA -0.196 4.154 4.350 0.000 0.000 0.263 509 T C 1.538 176.285 174.700 0.079 0.000 1.039 509 T CA 1.508 63.682 62.100 0.124 0.000 1.142 509 T CB -0.814 68.149 68.868 0.158 0.000 0.868 509 T HN 0.476 nan 8.240 nan 0.000 0.435 510 Y N 2.703 123.008 120.300 0.007 0.000 2.128 510 Y HA -0.231 4.319 4.550 0.000 0.000 0.284 510 Y C 2.242 178.143 175.900 0.002 0.000 1.154 510 Y CA 1.488 59.594 58.100 0.009 0.000 1.149 510 Y CB -0.446 38.026 38.460 0.019 0.000 0.976 510 Y HN 0.093 nan 8.280 nan 0.000 0.505 511 N N -0.636 118.188 118.700 0.207 0.000 2.069 511 N HA -0.208 4.532 4.740 0.000 0.000 0.191 511 N C 1.845 177.338 175.510 -0.030 0.000 1.031 511 N CA 1.917 55.033 53.050 0.110 0.000 0.852 511 N CB -0.714 37.856 38.487 0.138 0.000 1.018 511 N HN 0.545 nan 8.380 nan 0.000 0.423 512 H N -0.289 118.622 119.070 -0.265 0.000 2.387 512 H HA 0.043 4.599 4.556 0.000 0.000 0.299 512 H C 1.901 177.127 175.328 -0.171 0.000 1.090 512 H CA 0.912 56.789 56.048 -0.285 0.000 1.332 512 H CB 0.181 29.661 29.762 -0.469 0.000 1.386 512 H HN 0.208 nan 8.280 nan 0.000 0.516 513 I N 0.436 120.971 120.570 -0.059 0.000 2.406 513 I HA -0.220 3.950 4.170 0.000 0.000 0.249 513 I C 2.785 178.821 176.117 -0.136 0.000 1.122 513 I CA 0.654 61.901 61.300 -0.088 0.000 1.431 513 I CB -0.242 37.694 38.000 -0.106 0.000 1.087 513 I HN 0.269 nan 8.210 nan 0.000 0.424 514 Q N 1.257 120.899 119.800 -0.264 0.000 2.030 514 Q HA -0.245 4.095 4.340 0.000 0.000 0.204 514 Q C 2.349 178.264 176.000 -0.141 0.000 0.986 514 Q CA 1.730 57.362 55.803 -0.286 0.000 0.843 514 Q CB 0.034 28.561 28.738 -0.352 0.000 0.904 514 Q HN 0.323 nan 8.270 nan 0.000 0.420 515 R N -0.451 119.982 120.500 -0.111 0.000 2.120 515 R HA -0.140 4.200 4.340 0.000 0.000 0.234 515 R C 2.001 178.261 176.300 -0.067 0.000 1.123 515 R CA 1.751 57.793 56.100 -0.096 0.000 0.975 515 R CB -1.276 28.955 30.300 -0.114 0.000 0.866 515 R HN 0.540 nan 8.270 nan 0.000 0.446 516 H N 0.837 119.827 119.070 -0.133 0.000 2.363 516 H HA -0.041 4.515 4.556 0.000 0.000 0.301 516 H C 1.861 177.136 175.328 -0.087 0.000 1.074 516 H CA 1.902 57.888 56.048 -0.104 0.000 1.354 516 H CB 0.155 29.861 29.762 -0.092 0.000 1.397 516 H HN 0.016 nan 8.280 nan 0.000 0.516 517 V N -0.868 119.016 119.914 -0.051 0.000 2.488 517 V HA -0.128 3.992 4.120 0.000 0.000 0.246 517 V C 1.873 177.891 176.094 -0.127 0.000 1.046 517 V CA 1.784 64.025 62.300 -0.099 0.000 1.053 517 V CB -0.465 31.330 31.823 -0.047 0.000 0.679 517 V HN 0.342 nan 8.190 nan 0.000 0.458 518 N N 1.436 120.069 118.700 -0.112 0.000 2.137 518 N HA -0.185 4.555 4.740 0.000 0.000 0.190 518 N C 1.506 176.947 175.510 -0.116 0.000 1.017 518 N CA 2.139 55.127 53.050 -0.103 0.000 0.859 518 N CB -0.547 37.884 38.487 -0.095 0.000 1.002 518 N HN 0.618 nan 8.380 nan 0.000 0.428 519 D N 0.217 120.528 120.400 -0.148 0.000 2.077 519 D HA -0.032 4.608 4.640 0.000 0.000 0.196 519 D C 2.023 178.222 176.300 -0.169 0.000 0.986 519 D CA 0.839 54.746 54.000 -0.155 0.000 0.829 519 D CB -0.149 40.549 40.800 -0.170 0.000 0.983 519 D HN 0.131 nan 8.370 nan 0.000 0.453 520 M N 0.003 119.455 119.600 -0.246 0.000 2.229 520 M HA 0.004 4.484 4.480 0.000 0.000 0.264 520 M C 2.280 178.507 176.300 -0.122 0.000 1.063 520 M CA 0.797 55.977 55.300 -0.200 0.000 1.114 520 M CB -0.820 31.620 32.600 -0.266 0.000 1.387 520 M HN 0.061 nan 8.290 nan 0.000 0.420 521 L N -0.671 120.483 121.223 -0.115 0.000 2.217 521 L HA -0.045 4.295 4.340 0.000 0.000 0.211 521 L C 2.579 179.406 176.870 -0.072 0.000 1.107 521 L CA 0.875 55.663 54.840 -0.086 0.000 0.783 521 L CB -1.052 40.956 42.059 -0.085 0.000 0.919 521 L HN 0.352 nan 8.230 nan 0.000 0.442 522 G N 0.073 108.827 108.800 -0.077 0.000 2.421 522 G HA2 -0.238 3.722 3.960 0.000 0.000 0.216 522 G HA3 -0.238 3.722 3.960 0.000 0.000 0.216 522 G C 1.726 176.600 174.900 -0.044 0.000 1.171 522 G CA 0.395 45.459 45.100 -0.059 0.000 0.775 522 G HN 0.262 nan 8.290 nan 0.000 0.543 523 R N -0.258 120.210 120.500 -0.052 0.000 2.081 523 R HA -0.007 4.333 4.340 0.000 0.000 0.235 523 R C 2.682 178.974 176.300 -0.013 0.000 1.131 523 R CA 1.047 57.125 56.100 -0.036 0.000 0.960 523 R CB -0.649 29.622 30.300 -0.049 0.000 0.856 523 R HN 0.279 nan 8.270 nan 0.000 0.436 524 V N 1.273 121.176 119.914 -0.017 0.000 2.233 524 V HA -0.313 3.807 4.120 0.000 0.000 0.247 524 V C 2.508 178.634 176.094 0.053 0.000 1.050 524 V CA 2.137 64.446 62.300 0.014 0.000 1.010 524 V CB -0.854 30.960 31.823 -0.014 0.000 0.637 524 V HN 0.453 nan 8.190 nan 0.000 0.444 525 A N -0.378 122.451 122.820 0.016 0.000 1.917 525 A HA -0.248 4.072 4.320 0.000 0.000 0.219 525 A C 2.180 179.819 177.584 0.092 0.000 1.182 525 A CA 2.310 54.371 52.037 0.040 0.000 0.633 525 A CB -0.666 18.327 19.000 -0.012 0.000 0.819 525 A HN 0.541 nan 8.150 nan 0.000 0.448 526 I N -0.574 120.023 120.570 0.045 0.000 2.226 526 I HA -0.306 3.864 4.170 0.000 0.000 0.245 526 I C 2.992 179.132 176.117 0.039 0.000 1.100 526 I CA 1.126 62.446 61.300 0.033 0.000 1.374 526 I CB -0.399 37.603 38.000 0.004 0.000 1.057 526 I HN 0.401 nan 8.210 nan 0.000 0.413 527 A N 0.704 123.553 122.820 0.048 0.000 1.873 527 A HA -0.260 4.060 4.320 0.000 0.000 0.215 527 A C 2.271 179.889 177.584 0.057 0.000 1.186 527 A CA 1.263 53.316 52.037 0.026 0.000 0.616 527 A CB -1.193 17.828 19.000 0.034 0.000 0.823 527 A HN 0.700 nan 8.150 nan 0.000 0.442 528 W N 0.255 121.527 121.300 -0.047 0.000 2.317 528 W HA -0.300 4.360 4.660 0.000 0.000 0.318 528 W C 2.455 178.951 176.519 -0.038 0.000 1.227 528 W CA 2.111 59.434 57.345 -0.037 0.000 1.269 528 W CB -0.770 28.671 29.460 -0.031 0.000 1.155 528 W HN 0.433 nan 8.180 nan 0.000 0.484 529 c N 1.398 120.099 118.600 0.168 0.000 2.432 529 c HA -0.187 4.383 4.570 0.000 0.000 0.277 529 c C 2.574 176.626 174.090 -0.064 0.000 1.249 529 c CA 1.848 58.210 56.329 0.056 0.000 1.725 529 c CB -1.197 41.365 42.510 0.086 0.000 2.028 529 c HN 0.384 nan 8.230 nan 0.000 0.477 530 E N -0.283 119.866 120.200 -0.085 0.000 2.209 530 E HA -0.242 4.109 4.350 0.000 0.000 0.196 530 E C 1.834 178.251 176.600 -0.306 0.000 0.993 530 E CA 1.292 57.576 56.400 -0.193 0.000 0.819 530 E CB -0.255 29.316 29.700 -0.216 0.000 0.745 530 E HN 0.647 nan 8.360 nan 0.000 0.477 531 L N 0.767 121.833 121.223 -0.261 0.000 2.270 531 L HA -0.111 4.229 4.340 0.000 0.000 0.210 531 L C 1.990 178.714 176.870 -0.242 0.000 1.104 531 L CA 1.256 55.934 54.840 -0.271 0.000 0.804 531 L CB 0.040 41.910 42.059 -0.315 0.000 0.937 531 L HN -0.065 nan 8.230 nan 0.000 0.450 532 Q N -0.120 119.505 119.800 -0.293 0.000 2.083 532 Q HA -0.101 4.239 4.340 0.000 0.000 0.198 532 Q C 1.997 177.966 176.000 -0.052 0.000 0.969 532 Q CA 1.321 56.998 55.803 -0.211 0.000 0.838 532 Q CB -0.702 27.910 28.738 -0.211 0.000 0.900 532 Q HN 0.536 nan 8.270 nan 0.000 0.436 533 N N 0.502 119.197 118.700 -0.008 0.000 2.104 533 N HA -0.152 4.588 4.740 0.000 0.000 0.190 533 N C 1.642 177.273 175.510 0.201 0.000 1.024 533 N CA 1.241 54.349 53.050 0.098 0.000 0.853 533 N CB -0.394 38.173 38.487 0.134 0.000 1.008 533 N HN 0.374 nan 8.380 nan 0.000 0.424 534 H N 0.777 119.830 119.070 -0.028 0.000 2.436 534 H HA 0.136 4.692 4.556 0.000 0.000 0.294 534 H C 1.589 176.918 175.328 0.002 0.000 1.048 534 H CA 0.681 56.720 56.048 -0.015 0.000 1.353 534 H CB 0.126 29.870 29.762 -0.030 0.000 1.414 534 H HN 0.274 nan 8.280 nan 0.000 0.536 535 E N 0.305 120.584 120.200 0.132 0.000 2.285 535 E HA -0.083 4.267 4.350 0.000 0.000 0.194 535 E C 2.147 178.896 176.600 0.247 0.000 0.997 535 E CA 0.115 56.588 56.400 0.122 0.000 0.845 535 E CB -0.165 29.608 29.700 0.122 0.000 0.782 535 E HN 0.273 nan 8.360 nan 0.000 0.491 536 L N 1.640 122.996 121.223 0.222 0.000 1.997 536 L HA -0.214 4.127 4.340 0.000 0.000 0.216 536 L C 2.144 179.152 176.870 0.230 0.000 1.074 536 L CA 2.115 57.093 54.840 0.230 0.000 0.763 536 L CB -1.250 40.875 42.059 0.110 0.000 0.890 536 L HN -0.017 nan 8.230 nan 0.000 0.434 537 T N 0.201 114.830 114.554 0.125 0.000 2.721 537 T HA -0.217 4.133 4.350 0.000 0.000 0.268 537 T C 1.946 176.679 174.700 0.055 0.000 1.038 537 T CA 1.916 64.060 62.100 0.074 0.000 1.145 537 T CB -0.345 68.523 68.868 -0.001 0.000 0.858 537 T HN 0.357 nan 8.240 nan 0.000 0.459 538 L N -1.330 119.898 121.223 0.010 0.000 2.093 538 L HA -0.060 4.280 4.340 0.000 0.000 0.208 538 L C 2.379 179.163 176.870 -0.143 0.000 1.085 538 L CA 1.389 56.158 54.840 -0.119 0.000 0.755 538 L CB -0.546 41.364 42.059 -0.249 0.000 0.904 538 L HN 0.414 nan 8.230 nan 0.000 0.435 539 W N 0.253 121.559 121.300 0.011 0.000 2.402 539 W HA -0.108 4.552 4.660 0.000 0.000 0.286 539 W C 2.419 179.055 176.519 0.194 0.000 1.221 539 W CA 0.358 57.730 57.345 0.044 0.000 1.257 539 W CB -0.472 28.919 29.460 -0.115 0.000 1.120 539 W HN 0.156 nan 8.180 nan 0.000 0.551 540 N N 0.261 119.194 118.700 0.387 0.000 2.289 540 N HA -0.141 4.599 4.740 0.000 0.000 0.184 540 N C 1.437 177.045 175.510 0.164 0.000 1.016 540 N CA 1.239 54.471 53.050 0.304 0.000 0.872 540 N CB -0.271 38.345 38.487 0.215 0.000 0.973 540 N HN 0.202 nan 8.380 nan 0.000 0.433 541 E N 0.036 120.298 120.200 0.104 0.000 2.216 541 E HA 0.163 4.513 4.350 0.000 0.000 0.192 541 E C 1.667 178.292 176.600 0.043 0.000 0.973 541 E CA 0.258 56.686 56.400 0.047 0.000 0.851 541 E CB -0.127 29.576 29.700 0.005 0.000 0.804 541 E HN 0.255 nan 8.360 nan 0.000 0.477 542 A N 2.158 125.003 122.820 0.041 0.000 2.066 542 A HA -0.161 4.159 4.320 0.000 0.000 0.218 542 A C 2.147 179.804 177.584 0.121 0.000 1.157 542 A CA 1.134 53.187 52.037 0.027 0.000 0.670 542 A CB -0.464 18.481 19.000 -0.092 0.000 0.804 542 A HN 0.235 nan 8.150 nan 0.000 0.453 543 R N 0.318 120.942 120.500 0.206 0.000 2.081 543 R HA -0.115 4.225 4.340 0.000 0.000 0.235 543 R C 1.745 178.108 176.300 0.106 0.000 1.131 543 R CA 1.724 57.950 56.100 0.210 0.000 0.960 543 R CB -0.502 29.929 30.300 0.218 0.000 0.856 543 R HN 0.383 nan 8.270 nan 0.000 0.436 544 K N 0.834 121.279 120.400 0.074 0.000 2.148 544 K HA 0.018 4.338 4.320 0.000 0.000 0.204 544 K C 2.149 178.772 176.600 0.039 0.000 1.050 544 K CA 1.116 57.428 56.287 0.042 0.000 0.942 544 K CB -0.087 32.431 32.500 0.029 0.000 0.724 544 K HN 0.182 nan 8.250 nan 0.000 0.446 545 L N 0.339 121.587 121.223 0.041 0.000 2.109 545 L HA -0.066 4.274 4.340 0.000 0.000 0.207 545 L C 0.824 177.719 176.870 0.041 0.000 1.086 545 L CA 0.573 55.432 54.840 0.032 0.000 0.760 545 L CB -0.038 42.031 42.059 0.018 0.000 0.910 545 L HN 0.191 nan 8.230 nan 0.000 0.437 546 N N -1.193 117.541 118.700 0.057 0.000 2.732 546 N HA 0.159 4.900 4.740 0.000 0.000 0.247 546 N C -2.316 173.246 175.510 0.086 0.000 1.305 546 N CA -1.236 51.853 53.050 0.064 0.000 0.762 546 N CB 1.323 39.846 38.487 0.061 0.000 1.361 546 N HN -0.233 nan 8.380 nan 0.000 0.545 547 P HA 0.070 nan 4.420 nan 0.000 0.220 547 P C 0.831 178.180 177.300 0.081 0.000 1.152 547 P CA 0.849 63.997 63.100 0.080 0.000 0.812 547 P CB 0.584 32.315 31.700 0.051 0.000 0.792 548 N N -0.342 118.397 118.700 0.064 0.000 2.142 548 N HA -0.085 4.655 4.740 0.000 0.000 0.186 548 N C 1.700 177.243 175.510 0.054 0.000 1.023 548 N CA 1.542 54.623 53.050 0.051 0.000 0.852 548 N CB -0.987 37.525 38.487 0.042 0.000 0.998 548 N HN 0.027 nan 8.380 nan 0.000 0.424 549 A N 0.122 122.985 122.820 0.071 0.000 1.897 549 A HA 0.024 4.344 4.320 0.000 0.000 0.215 549 A C 2.058 179.721 177.584 0.131 0.000 1.181 549 A CA 0.837 52.923 52.037 0.081 0.000 0.620 549 A CB -0.437 18.613 19.000 0.084 0.000 0.821 549 A HN 0.113 nan 8.150 nan 0.000 0.443 550 I N 0.165 120.847 120.570 0.185 0.000 2.286 550 I HA -0.144 4.026 4.170 0.000 0.000 0.245 550 I C 2.831 179.063 176.117 0.191 0.000 1.104 550 I CA 1.098 62.572 61.300 0.288 0.000 1.397 550 I CB -0.575 37.662 38.000 0.394 0.000 1.072 550 I HN 0.304 nan 8.210 nan 0.000 0.417 551 A N -0.404 122.509 122.820 0.155 0.000 1.851 551 A HA -0.229 4.091 4.320 0.000 0.000 0.216 551 A C 2.508 180.122 177.584 0.051 0.000 1.195 551 A CA 2.336 54.439 52.037 0.110 0.000 0.622 551 A CB -1.175 17.872 19.000 0.079 0.000 0.831 551 A HN 0.382 nan 8.150 nan 0.000 0.444 552 S N -1.035 114.682 115.700 0.029 0.000 2.392 552 S HA -0.175 4.295 4.470 0.000 0.000 0.232 552 S C 1.893 176.480 174.600 -0.022 0.000 1.041 552 S CA 1.510 59.700 58.200 -0.016 0.000 1.026 552 S CB -0.559 62.614 63.200 -0.045 0.000 0.845 552 S HN 0.410 nan 8.310 nan 0.000 0.465 553 V N 0.814 120.728 119.914 0.000 0.000 2.346 553 V HA -0.123 3.997 4.120 0.000 0.000 0.244 553 V C 2.289 178.319 176.094 -0.106 0.000 1.037 553 V CA 2.128 64.412 62.300 -0.027 0.000 1.029 553 V CB -0.948 30.897 31.823 0.036 0.000 0.663 553 V HN 0.490 nan 8.190 nan 0.000 0.454 554 T N -0.239 114.221 114.554 -0.156 0.000 2.595 554 T HA -0.222 4.128 4.350 0.000 0.000 0.264 554 T C 1.822 176.452 174.700 -0.116 0.000 1.058 554 T CA 2.048 64.008 62.100 -0.234 0.000 1.166 554 T CB -0.559 68.180 68.868 -0.215 0.000 0.863 554 T HN 0.265 nan 8.240 nan 0.000 0.415 555 V N 0.635 120.524 119.914 -0.042 0.000 2.453 555 V HA -0.067 4.054 4.120 0.000 0.000 0.252 555 V C 1.815 177.889 176.094 -0.033 0.000 1.068 555 V CA 2.041 64.330 62.300 -0.019 0.000 1.070 555 V CB -1.133 30.693 31.823 0.004 0.000 0.664 555 V HN 0.953 nan 8.190 nan 0.000 0.461 556 G N 0.750 109.523 108.800 -0.044 0.000 2.165 556 G HA2 -0.250 3.710 3.960 0.000 0.000 0.226 556 G HA3 -0.250 3.710 3.960 0.000 0.000 0.226 556 G C 0.139 175.018 174.900 -0.035 0.000 1.035 556 G CA 0.364 45.439 45.100 -0.041 0.000 0.744 556 G HN 1.014 nan 8.290 nan 0.000 0.501 557 R N -2.097 118.377 120.500 -0.042 0.000 2.687 557 R HA 0.580 4.920 4.340 0.000 0.000 0.265 557 R C -0.677 175.572 176.300 -0.085 0.000 1.048 557 R CA -1.248 54.821 56.100 -0.052 0.000 0.884 557 R CB 0.698 30.984 30.300 -0.023 0.000 1.258 557 R HN -0.013 nan 8.270 nan 0.000 0.469 558 R N 1.787 122.190 120.500 -0.161 0.000 2.446 558 R HA 0.161 4.501 4.340 0.000 0.000 0.314 558 R C 0.061 176.297 176.300 -0.107 0.000 1.003 558 R CA 0.183 56.138 56.100 -0.242 0.000 1.018 558 R CB 0.304 30.237 30.300 -0.612 0.000 0.945 558 R HN 0.504 nan 8.270 nan 0.000 0.419 559 V N -0.803 119.072 119.914 -0.064 0.000 3.126 559 V HA 0.651 4.771 4.120 0.000 0.000 0.314 559 V C -0.064 176.032 176.094 0.004 0.000 1.138 559 V CA -1.008 61.285 62.300 -0.012 0.000 1.034 559 V CB 2.319 34.143 31.823 0.002 0.000 1.075 559 V HN 0.543 nan 8.190 nan 0.000 0.442 560 S N 0.518 116.232 115.700 0.024 0.000 2.475 560 S HA 0.906 5.376 4.470 0.000 0.000 0.298 560 S C -0.266 174.352 174.600 0.030 0.000 1.119 560 S CA 0.289 58.509 58.200 0.033 0.000 1.085 560 S CB 0.928 64.154 63.200 0.044 0.000 1.028 560 S HN 1.854 nan 8.310 nan 0.000 0.489 561 A N 3.745 126.585 122.820 0.032 0.000 2.569 561 A HA 0.999 5.319 4.320 0.000 0.000 0.290 561 A C -1.000 176.599 177.584 0.026 0.000 1.136 561 A CA -1.045 51.009 52.037 0.028 0.000 0.710 561 A CB 1.498 20.519 19.000 0.034 0.000 1.303 561 A HN 1.007 nan 8.150 nan 0.000 0.413 562 R N 0.254 120.762 120.500 0.014 0.000 2.664 562 R HA 0.491 4.831 4.340 0.000 0.000 0.260 562 R C -1.392 174.904 176.300 -0.006 0.000 1.062 562 R CA -0.928 55.178 56.100 0.010 0.000 0.902 562 R CB 0.623 30.931 30.300 0.014 0.000 1.258 562 R HN 0.529 nan 8.270 nan 0.000 0.465 563 M N 3.342 122.936 119.600 -0.010 0.000 2.219 563 M HA 0.200 4.680 4.480 0.000 0.000 0.353 563 M C -0.065 176.222 176.300 -0.021 0.000 1.304 563 M CA 0.033 55.317 55.300 -0.027 0.000 1.115 563 M CB 0.187 32.772 32.600 -0.025 0.000 1.664 563 M HN 0.592 nan 8.290 nan 0.000 0.459 564 L N 3.214 124.419 121.223 -0.030 0.000 2.843 564 L HA 0.401 4.741 4.340 0.000 0.000 0.234 564 L C 1.119 177.973 176.870 -0.026 0.000 1.264 564 L CA -0.332 54.494 54.840 -0.022 0.000 1.052 564 L CB -0.378 41.669 42.059 -0.020 0.000 1.372 564 L HN 1.112 nan 8.230 nan 0.000 0.466 565 G N 0.882 109.667 108.800 -0.025 0.000 3.226 565 G HA2 -0.293 3.667 3.960 0.000 0.000 0.270 565 G HA3 -0.293 3.667 3.960 0.000 0.000 0.270 565 G C 0.420 175.297 174.900 -0.037 0.000 1.592 565 G CA 0.328 45.413 45.100 -0.025 0.000 1.055 565 G HN 0.398 nan 8.290 nan 0.000 0.582 566 D N 0.794 121.167 120.400 -0.044 0.000 2.417 566 D HA 0.330 4.970 4.640 0.000 0.000 0.207 566 D C 1.365 177.608 176.300 -0.095 0.000 1.075 566 D CA 1.079 55.043 54.000 -0.060 0.000 0.851 566 D CB 1.028 41.803 40.800 -0.043 0.000 0.976 566 D HN 0.892 nan 8.370 nan 0.000 0.505 567 V N -1.984 117.878 119.914 -0.088 0.000 3.193 567 V HA 0.622 4.742 4.120 0.000 0.000 0.320 567 V C -0.193 175.834 176.094 -0.113 0.000 1.112 567 V CA -1.015 61.217 62.300 -0.113 0.000 1.026 567 V CB 2.399 34.177 31.823 -0.075 0.000 1.128 567 V HN -0.156 nan 8.190 nan 0.000 0.452 568 M N 1.843 121.369 119.600 -0.124 0.000 2.383 568 M HA 0.791 5.271 4.480 0.000 0.000 0.325 568 M C -0.329 175.942 176.300 -0.049 0.000 1.092 568 M CA -0.576 54.667 55.300 -0.095 0.000 0.961 568 M CB 1.830 34.351 32.600 -0.133 0.000 1.672 568 M HN 1.120 nan 8.290 nan 0.000 0.438 569 A N 3.422 126.227 122.820 -0.026 0.000 2.306 569 A HA 0.782 5.102 4.320 0.000 0.000 0.314 569 A C -1.028 176.557 177.584 0.002 0.000 1.164 569 A CA -0.611 51.420 52.037 -0.009 0.000 0.822 569 A CB 0.761 19.758 19.000 -0.004 0.000 1.130 569 A HN 0.855 nan 8.150 nan 0.000 0.496 570 V N 0.317 120.236 119.914 0.008 0.000 2.686 570 V HA 0.872 4.992 4.120 0.000 0.000 0.306 570 V C -0.335 175.770 176.094 0.019 0.000 1.065 570 V CA -0.102 62.207 62.300 0.016 0.000 0.894 570 V CB 1.135 32.968 31.823 0.018 0.000 1.004 570 V HN 1.381 nan 8.190 nan 0.000 0.424 571 S N 2.174 117.889 115.700 0.025 0.000 2.536 571 S HA 0.727 5.197 4.470 0.000 0.000 0.298 571 S C -0.184 174.436 174.600 0.034 0.000 1.083 571 S CA -0.588 57.629 58.200 0.029 0.000 0.995 571 S CB 1.809 65.030 63.200 0.035 0.000 1.058 571 S HN 0.963 nan 8.310 nan 0.000 0.488 572 T N 2.772 117.348 114.554 0.037 0.000 2.832 572 T HA 0.319 4.670 4.350 0.000 0.000 0.296 572 T C 0.602 175.343 174.700 0.068 0.000 0.968 572 T CA -0.407 61.719 62.100 0.043 0.000 1.107 572 T CB -0.168 68.725 68.868 0.041 0.000 0.916 572 T HN 0.803 nan 8.240 nan 0.000 0.517 573 c N 2.819 121.467 118.600 0.081 0.000 2.713 573 c HA 0.447 5.017 4.570 0.000 0.000 0.330 573 c C 0.783 174.980 174.090 0.177 0.000 1.416 573 c CA -0.621 55.790 56.329 0.136 0.000 2.351 573 c CB -0.050 42.557 42.510 0.162 0.000 2.388 573 c HN 0.618 nan 8.230 nan 0.000 0.729 574 V N 2.251 122.294 119.914 0.215 0.000 2.638 574 V HA 0.389 4.509 4.120 0.000 0.000 0.306 574 V C -2.379 173.799 176.094 0.141 0.000 1.052 574 V CA -1.132 61.285 62.300 0.195 0.000 0.885 574 V CB 2.107 34.071 31.823 0.235 0.000 0.999 574 V HN 0.718 nan 8.190 nan 0.000 0.424 575 P HA 0.445 nan 4.420 nan 0.000 0.278 575 P C -1.205 176.051 177.300 -0.073 0.000 1.238 575 P CA -0.185 62.843 63.100 -0.121 0.000 0.794 575 P CB 1.138 32.793 31.700 -0.076 0.000 0.955 576 V N 1.531 121.353 119.914 -0.153 0.000 2.925 576 V HA 0.648 4.768 4.120 0.000 0.000 0.311 576 V C 0.477 176.543 176.094 -0.047 0.000 1.104 576 V CA -0.910 61.325 62.300 -0.109 0.000 0.954 576 V CB 1.772 33.417 31.823 -0.296 0.000 1.022 576 V HN 0.694 nan 8.190 nan 0.000 0.427 577 A N 2.640 125.446 122.820 -0.023 0.000 2.267 577 A HA 0.775 5.095 4.320 0.000 0.000 0.276 577 A C 1.317 178.912 177.584 0.017 0.000 1.336 577 A CA 0.751 52.793 52.037 0.009 0.000 0.815 577 A CB -0.035 18.967 19.000 0.005 0.000 1.256 577 A HN 1.414 nan 8.150 nan 0.000 0.512 578 A N -2.792 120.041 122.820 0.022 0.000 2.013 578 A HA 0.397 4.717 4.320 0.000 0.000 0.204 578 A C 1.739 179.295 177.584 -0.047 0.000 1.262 578 A CA 1.435 53.471 52.037 -0.000 0.000 0.800 578 A CB -0.956 18.078 19.000 0.056 0.000 0.909 578 A HN 0.997 nan 8.150 nan 0.000 0.472 579 D N 0.412 120.801 120.400 -0.018 0.000 2.310 579 D HA -0.098 4.542 4.640 0.000 0.000 0.212 579 D C 1.088 177.377 176.300 -0.018 0.000 0.965 579 D CA 1.136 55.130 54.000 -0.010 0.000 0.879 579 D CB -0.609 40.191 40.800 0.001 0.000 0.921 579 D HN 0.379 nan 8.370 nan 0.000 0.510 580 N N -0.427 118.255 118.700 -0.030 0.000 2.313 580 N HA 0.209 4.949 4.740 0.000 0.000 0.207 580 N C -0.864 174.618 175.510 -0.046 0.000 1.141 580 N CA 0.184 53.222 53.050 -0.019 0.000 0.830 580 N CB 1.401 39.892 38.487 0.006 0.000 1.008 580 N HN 0.347 nan 8.380 nan 0.000 0.481 581 V N 1.344 121.196 119.914 -0.104 0.000 2.612 581 V HA 0.447 4.567 4.120 0.000 0.000 0.301 581 V C -0.253 175.820 176.094 -0.034 0.000 1.059 581 V CA -0.711 61.493 62.300 -0.160 0.000 0.886 581 V CB 2.239 33.714 31.823 -0.580 0.000 1.007 581 V HN -0.068 nan 8.190 nan 0.000 0.426 582 I N 4.039 124.615 120.570 0.010 0.000 2.693 582 I HA 0.668 4.838 4.170 0.000 0.000 0.303 582 I C -0.735 175.399 176.117 0.028 0.000 1.025 582 I CA -1.096 60.228 61.300 0.040 0.000 1.086 582 I CB 2.505 40.501 38.000 -0.007 0.000 1.268 582 I HN 0.272 nan 8.210 nan 0.000 0.440 583 V N 3.329 123.237 119.914 -0.010 0.000 2.628 583 V HA 0.348 4.468 4.120 0.000 0.000 0.306 583 V C -0.514 175.513 176.094 -0.111 0.000 1.045 583 V CA -0.783 61.461 62.300 -0.094 0.000 0.905 583 V CB 1.847 33.541 31.823 -0.214 0.000 0.997 583 V HN 0.575 nan 8.190 nan 0.000 0.436 584 Q N 3.187 122.950 119.800 -0.061 0.000 2.261 584 Q HA 0.294 4.635 4.340 0.000 0.000 0.252 584 Q C 0.894 176.943 176.000 0.081 0.000 0.915 584 Q CA -0.185 55.600 55.803 -0.029 0.000 0.915 584 Q CB 0.643 29.364 28.738 -0.029 0.000 1.204 584 Q HN 0.802 nan 8.270 nan 0.000 0.421 585 N N -0.348 118.361 118.700 0.014 0.000 2.314 585 N HA -0.012 4.728 4.740 0.000 0.000 0.200 585 N C -0.553 175.050 175.510 0.156 0.000 1.135 585 N CA -0.074 53.006 53.050 0.050 0.000 0.835 585 N CB 0.629 39.062 38.487 -0.091 0.000 0.989 585 N HN 0.204 nan 8.380 nan 0.000 0.478 586 S N 0.250 116.084 115.700 0.223 0.000 2.594 586 S HA 0.456 4.926 4.470 0.000 0.000 0.296 586 S C 0.361 175.152 174.600 0.319 0.000 1.124 586 S CA -0.675 57.678 58.200 0.256 0.000 1.011 586 S CB 1.289 64.576 63.200 0.144 0.000 1.016 586 S HN 0.145 nan 8.310 nan 0.000 0.485 587 M N 3.185 123.027 119.600 0.404 0.000 2.441 587 M HA 0.262 4.742 4.480 0.000 0.000 0.244 587 M C 0.631 177.096 176.300 0.275 0.000 1.122 587 M CA 0.097 55.644 55.300 0.412 0.000 1.041 587 M CB 0.261 33.084 32.600 0.371 0.000 1.438 587 M HN 0.412 nan 8.290 nan 0.000 0.484 588 R N 1.902 122.475 120.500 0.123 0.000 2.296 588 R HA 0.278 4.618 4.340 0.000 0.000 0.323 588 R C -0.511 175.741 176.300 -0.079 0.000 1.067 588 R CA 0.010 56.041 56.100 -0.113 0.000 0.946 588 R CB 0.339 30.593 30.300 -0.077 0.000 0.991 588 R HN 0.271 nan 8.270 nan 0.000 0.448 589 I N 2.384 122.805 120.570 -0.248 0.000 2.406 589 I HA -0.105 4.065 4.170 0.000 0.000 0.293 589 I C 1.764 177.810 176.117 -0.119 0.000 1.101 589 I CA 0.221 61.401 61.300 -0.200 0.000 1.334 589 I CB 1.149 38.929 38.000 -0.367 0.000 1.421 589 I HN 0.672 nan 8.210 nan 0.000 0.513 590 S N 4.429 120.100 115.700 -0.048 0.000 2.356 590 S HA -0.184 4.286 4.470 0.000 0.000 0.223 590 S C 2.195 176.767 174.600 -0.045 0.000 1.032 590 S CA 2.112 60.289 58.200 -0.037 0.000 1.005 590 S CB -0.044 63.150 63.200 -0.010 0.000 0.867 590 S HN 0.862 nan 8.310 nan 0.000 0.449 591 S N 1.032 116.709 115.700 -0.039 0.000 2.402 591 S HA 0.051 4.521 4.470 0.000 0.000 0.229 591 S C 1.057 175.624 174.600 -0.054 0.000 1.021 591 S CA 0.326 58.503 58.200 -0.037 0.000 0.974 591 S CB -0.386 62.800 63.200 -0.025 0.000 0.800 591 S HN 0.529 nan 8.310 nan 0.000 0.484 592 R N 2.203 122.655 120.500 -0.081 0.000 3.050 592 R HA 0.400 4.740 4.340 0.000 0.000 0.275 592 R C -2.958 173.269 176.300 -0.120 0.000 1.373 592 R CA -2.043 54.000 56.100 -0.096 0.000 1.612 592 R CB 0.532 30.766 30.300 -0.111 0.000 1.218 592 R HN 0.348 nan 8.270 nan 0.000 0.621 593 P HA -0.043 nan 4.420 nan 0.000 0.268 593 P C 0.976 178.209 177.300 -0.113 0.000 1.208 593 P CA 0.922 63.957 63.100 -0.109 0.000 0.777 593 P CB 0.745 32.400 31.700 -0.075 0.000 0.875 594 G N 0.317 109.038 108.800 -0.131 0.000 2.284 594 G HA2 -0.156 3.804 3.960 0.000 0.000 0.247 594 G HA3 -0.156 3.804 3.960 0.000 0.000 0.247 594 G C 0.250 175.059 174.900 -0.153 0.000 1.012 594 G CA 0.110 45.138 45.100 -0.119 0.000 0.618 594 G HN 0.887 nan 8.290 nan 0.000 0.521 595 A N -0.780 121.924 122.820 -0.193 0.000 2.342 595 A HA 0.776 5.096 4.320 0.000 0.000 0.323 595 A C -0.187 177.177 177.584 -0.368 0.000 1.125 595 A CA 0.250 52.147 52.037 -0.234 0.000 0.785 595 A CB 1.721 20.604 19.000 -0.196 0.000 1.221 595 A HN 1.174 nan 8.150 nan 0.000 0.463 596 c N 0.744 119.100 118.600 -0.406 0.000 2.888 596 c HA 0.531 5.101 4.570 0.000 0.000 0.308 596 c C -0.794 173.085 174.090 -0.352 0.000 1.213 596 c CA -0.840 55.164 56.329 -0.541 0.000 1.461 596 c CB 0.940 42.902 42.510 -0.912 0.000 1.934 596 c HN 0.822 nan 8.230 nan 0.000 0.474 597 Y N 1.706 121.971 120.300 -0.058 0.000 2.620 597 Y HA 0.083 4.633 4.550 0.000 0.000 0.330 597 Y C 1.785 177.749 175.900 0.106 0.000 1.186 597 Y CA 0.284 58.383 58.100 -0.001 0.000 1.467 597 Y CB 0.580 39.013 38.460 -0.045 0.000 1.262 597 Y HN 0.827 nan 8.280 nan 0.000 0.550 598 S N 2.437 118.275 115.700 0.230 0.000 2.371 598 S HA -0.016 4.454 4.470 0.000 0.000 0.224 598 S C 0.898 175.597 174.600 0.166 0.000 1.029 598 S CA 0.730 59.073 58.200 0.238 0.000 0.978 598 S CB 0.047 63.350 63.200 0.173 0.000 0.833 598 S HN 0.591 nan 8.310 nan 0.000 0.466 599 R N 0.862 121.328 120.500 -0.056 0.000 2.867 599 R HA 0.487 4.827 4.340 0.000 0.000 0.227 599 R C -2.934 172.953 176.300 -0.688 0.000 1.372 599 R CA -2.317 53.442 56.100 -0.568 0.000 1.083 599 R CB 0.371 30.440 30.300 -0.385 0.000 1.596 599 R HN 0.105 nan 8.270 nan 0.000 0.522 600 P HA 0.235 nan 4.420 nan 0.000 0.281 600 P C -1.073 175.965 177.300 -0.437 0.000 1.264 600 P CA -0.544 62.123 63.100 -0.723 0.000 0.824 600 P CB 0.646 31.867 31.700 -0.798 0.000 1.092 601 L N 1.420 122.426 121.223 -0.361 0.000 2.360 601 L HA 0.629 4.969 4.340 0.000 0.000 0.271 601 L C -0.005 176.753 176.870 -0.186 0.000 1.057 601 L CA -0.258 54.389 54.840 -0.321 0.000 0.803 601 L CB 1.441 43.261 42.059 -0.398 0.000 1.207 601 L HN 0.263 nan 8.230 nan 0.000 0.445 602 V N -1.540 118.299 119.914 -0.126 0.000 3.188 602 V HA 0.877 4.997 4.120 0.000 0.000 0.305 602 V C -0.751 175.335 176.094 -0.014 0.000 1.232 602 V CA -0.622 61.642 62.300 -0.059 0.000 1.043 602 V CB 2.034 33.841 31.823 -0.028 0.000 1.068 602 V HN 0.682 nan 8.190 nan 0.000 0.439 603 S N 2.135 117.834 115.700 -0.002 0.000 2.536 603 S HA 1.008 5.478 4.470 0.000 0.000 0.298 603 S C -0.851 173.780 174.600 0.052 0.000 1.083 603 S CA -0.449 57.740 58.200 -0.019 0.000 0.995 603 S CB 1.582 64.741 63.200 -0.068 0.000 1.058 603 S HN 1.717 nan 8.310 nan 0.000 0.488 604 F N -0.593 119.266 119.950 -0.153 0.000 2.713 604 F HA 0.761 5.288 4.527 0.000 0.000 0.311 604 F C -1.485 174.207 175.800 -0.179 0.000 1.141 604 F CA -1.316 56.565 58.000 -0.198 0.000 0.939 604 F CB 1.235 40.063 39.000 -0.287 0.000 1.325 604 F HN 0.609 nan 8.300 nan 0.000 0.453 605 R N 1.244 121.748 120.500 0.006 0.000 2.621 605 R HA 0.429 4.769 4.340 0.000 0.000 0.292 605 R C -0.962 175.432 176.300 0.157 0.000 0.969 605 R CA -0.766 55.312 56.100 -0.037 0.000 0.887 605 R CB 1.416 31.710 30.300 -0.011 0.000 1.180 605 R HN 0.884 nan 8.270 nan 0.000 0.450 606 Y N 1.207 121.623 120.300 0.193 0.000 2.224 606 Y HA -0.155 4.395 4.550 0.000 0.000 0.289 606 Y C 0.139 176.099 175.900 0.100 0.000 1.146 606 Y CA 1.359 59.580 58.100 0.201 0.000 1.182 606 Y CB 0.264 38.817 38.460 0.156 0.000 0.983 606 Y HN 0.616 nan 8.280 nan 0.000 0.524 607 E N -1.219 119.109 120.200 0.215 0.000 2.263 607 E HA 0.172 4.522 4.350 0.000 0.000 0.264 607 E C -0.094 176.549 176.600 0.073 0.000 0.923 607 E CA -0.511 55.960 56.400 0.118 0.000 0.802 607 E CB 0.748 30.504 29.700 0.093 0.000 1.228 607 E HN -0.170 nan 8.360 nan 0.000 0.417 608 D N 0.632 121.061 120.400 0.048 0.000 2.203 608 D HA -0.171 4.470 4.640 0.000 0.000 0.199 608 D C -0.267 176.046 176.300 0.021 0.000 0.997 608 D CA 1.585 55.603 54.000 0.029 0.000 0.863 608 D CB 0.088 40.901 40.800 0.022 0.000 0.928 608 D HN 0.345 nan 8.370 nan 0.000 0.458 609 Q N -1.015 118.799 119.800 0.024 0.000 2.616 609 Q HA 0.632 4.972 4.340 0.000 0.000 0.250 609 Q C -0.221 175.789 176.000 0.016 0.000 0.991 609 Q CA -0.470 55.342 55.803 0.014 0.000 0.707 609 Q CB 2.294 31.038 28.738 0.010 0.000 1.247 609 Q HN 0.094 nan 8.270 nan 0.000 0.491 610 G N 1.350 110.157 108.800 0.011 0.000 2.608 610 G HA2 0.592 4.552 3.960 0.000 0.000 0.291 610 G HA3 0.592 4.552 3.960 0.000 0.000 0.291 610 G C -3.050 171.842 174.900 -0.014 0.000 1.425 610 G CA -1.289 43.818 45.100 0.012 0.000 0.787 610 G HN 0.159 nan 8.290 nan 0.000 0.484 611 P HA 0.266 nan 4.420 nan 0.000 0.263 611 P C -0.368 176.866 177.300 -0.110 0.000 1.195 611 P CA -0.385 62.684 63.100 -0.051 0.000 0.762 611 P CB 0.643 32.319 31.700 -0.039 0.000 0.799 612 L N 5.528 126.675 121.223 -0.127 0.000 2.361 612 L HA 0.118 4.458 4.340 0.000 0.000 0.278 612 L C -0.004 176.705 176.870 -0.268 0.000 1.113 612 L CA 0.072 54.793 54.840 -0.198 0.000 0.849 612 L CB 0.496 42.477 42.059 -0.130 0.000 1.155 612 L HN 0.137 nan 8.230 nan 0.000 0.452 613 V N 4.148 123.758 119.914 -0.506 0.000 2.973 613 V HA 0.435 4.555 4.120 0.000 0.000 0.314 613 V C -0.093 175.798 176.094 -0.340 0.000 1.066 613 V CA -0.924 61.064 62.300 -0.521 0.000 1.021 613 V CB 1.782 33.038 31.823 -0.946 0.000 1.076 613 V HN 0.721 nan 8.190 nan 0.000 0.462 614 E N 0.890 120.984 120.200 -0.176 0.000 2.187 614 E HA 0.736 5.087 4.350 0.000 0.000 0.268 614 E C 0.030 176.626 176.600 -0.007 0.000 0.896 614 E CA -0.366 55.987 56.400 -0.079 0.000 0.766 614 E CB 2.096 31.756 29.700 -0.066 0.000 1.142 614 E HN 0.954 nan 8.360 nan 0.000 0.408 615 G N 1.638 110.442 108.800 0.007 0.000 2.427 615 G HA2 0.333 4.293 3.960 0.000 0.000 0.306 615 G HA3 0.333 4.293 3.960 0.000 0.000 0.306 615 G C -1.780 173.090 174.900 -0.051 0.000 1.280 615 G CA -0.776 44.337 45.100 0.021 0.000 0.837 615 G HN 0.492 nan 8.290 nan 0.000 0.482 616 Q N -1.229 118.536 119.800 -0.058 0.000 2.484 616 Q HA 0.746 5.086 4.340 0.000 0.000 0.285 616 Q C -1.380 174.577 176.000 -0.072 0.000 1.097 616 Q CA -1.066 54.664 55.803 -0.121 0.000 0.802 616 Q CB 2.613 31.237 28.738 -0.191 0.000 1.444 616 Q HN 0.657 nan 8.270 nan 0.000 0.429 617 L N 2.221 123.379 121.223 -0.108 0.000 2.363 617 L HA 0.428 4.768 4.340 0.000 0.000 0.286 617 L C 0.262 177.123 176.870 -0.014 0.000 1.106 617 L CA 0.522 55.344 54.840 -0.030 0.000 0.859 617 L CB 0.324 42.355 42.059 -0.047 0.000 1.223 617 L HN 0.856 nan 8.230 nan 0.000 0.446 618 G N 4.105 112.931 108.800 0.044 0.000 2.525 618 G HA2 0.146 4.106 3.960 0.000 0.000 0.276 618 G HA3 0.146 4.106 3.960 0.000 0.000 0.276 618 G C -0.253 174.711 174.900 0.107 0.000 1.388 618 G CA -0.562 44.577 45.100 0.064 0.000 1.050 618 G HN 0.678 nan 8.290 nan 0.000 0.520 619 E N -0.698 119.567 120.200 0.110 0.000 2.314 619 E HA 0.166 4.516 4.350 0.000 0.000 0.262 619 E C -0.145 176.521 176.600 0.110 0.000 1.093 619 E CA -0.206 56.271 56.400 0.128 0.000 0.908 619 E CB 0.555 30.323 29.700 0.113 0.000 1.091 619 E HN 0.536 nan 8.360 nan 0.000 0.425 620 N N 2.046 120.806 118.700 0.100 0.000 2.727 620 N HA -0.224 4.516 4.740 0.000 0.000 0.249 620 N C -0.889 174.650 175.510 0.048 0.000 1.048 620 N CA 0.351 53.435 53.050 0.056 0.000 0.714 620 N CB -0.971 37.538 38.487 0.036 0.000 0.959 620 N HN 0.551 nan 8.380 nan 0.000 0.544 621 N N -1.136 117.596 118.700 0.052 0.000 2.693 621 N HA -0.237 4.503 4.740 0.000 0.000 0.249 621 N C -0.245 175.376 175.510 0.185 0.000 1.119 621 N CA 1.387 54.432 53.050 -0.008 0.000 0.717 621 N CB -0.693 37.417 38.487 -0.627 0.000 1.071 621 N HN 0.783 nan 8.380 nan 0.000 0.555 622 E N 0.789 121.101 120.200 0.188 0.000 2.259 622 E HA 0.210 4.560 4.350 0.000 0.000 0.281 622 E C -0.092 176.592 176.600 0.140 0.000 1.037 622 E CA -0.353 56.156 56.400 0.181 0.000 0.854 622 E CB 0.544 30.318 29.700 0.123 0.000 1.051 622 E HN 0.202 nan 8.360 nan 0.000 0.409 623 L N 6.141 127.401 121.223 0.062 0.000 2.295 623 L HA 0.306 4.646 4.340 0.000 0.000 0.288 623 L C 0.384 177.233 176.870 -0.035 0.000 1.079 623 L CA -0.200 54.590 54.840 -0.083 0.000 0.830 623 L CB 0.413 42.193 42.059 -0.466 0.000 1.200 623 L HN 0.408 nan 8.230 nan 0.000 0.438 624 R N 3.578 124.086 120.500 0.013 0.000 2.297 624 R HA 0.286 4.626 4.340 0.000 0.000 0.308 624 R C 0.729 177.066 176.300 0.062 0.000 1.029 624 R CA -0.561 55.563 56.100 0.040 0.000 0.929 624 R CB 1.555 31.876 30.300 0.034 0.000 1.046 624 R HN 0.623 nan 8.270 nan 0.000 0.461 625 L N 1.054 122.331 121.223 0.090 0.000 2.023 625 L HA -0.044 4.296 4.340 0.000 0.000 0.205 625 L C 0.806 177.719 176.870 0.071 0.000 1.073 625 L CA 1.216 56.126 54.840 0.117 0.000 0.745 625 L CB -0.132 42.007 42.059 0.133 0.000 0.900 625 L HN 0.573 nan 8.230 nan 0.000 0.435 626 T N 1.143 115.730 114.554 0.055 0.000 2.794 626 T HA 0.156 4.506 4.350 0.000 0.000 0.296 626 T C 0.662 175.377 174.700 0.026 0.000 0.949 626 T CA -0.321 61.803 62.100 0.041 0.000 1.101 626 T CB 0.562 69.456 68.868 0.043 0.000 0.905 626 T HN 0.172 nan 8.240 nan 0.000 0.516 627 R N 2.455 122.963 120.500 0.014 0.000 4.464 627 R HA 0.065 4.405 4.340 0.000 0.000 0.229 627 R C 0.435 176.783 176.300 0.081 0.000 1.916 627 R CA -0.110 55.984 56.100 -0.010 0.000 1.601 627 R CB -0.238 30.016 30.300 -0.076 0.000 1.315 627 R HN 0.644 nan 8.270 nan 0.000 0.725 628 D N -0.424 120.019 120.400 0.071 0.000 2.339 628 D HA -0.021 4.619 4.640 0.000 0.000 0.217 628 D C 0.343 176.698 176.300 0.091 0.000 1.050 628 D CA -0.117 53.933 54.000 0.082 0.000 0.856 628 D CB 0.363 41.196 40.800 0.055 0.000 0.922 628 D HN 0.109 nan 8.370 nan 0.000 0.518 629 A N 0.689 123.571 122.820 0.104 0.000 2.391 629 A HA 0.553 4.873 4.320 0.000 0.000 0.316 629 A C -0.527 177.143 177.584 0.143 0.000 1.381 629 A CA -0.460 51.636 52.037 0.099 0.000 0.998 629 A CB -0.464 18.580 19.000 0.073 0.000 1.147 629 A HN 0.183 nan 8.150 nan 0.000 0.545 630 I N 1.386 122.008 120.570 0.086 0.000 2.828 630 I HA 0.501 4.672 4.170 0.000 0.000 0.302 630 I C 0.047 176.172 176.117 0.013 0.000 1.101 630 I CA -0.373 60.945 61.300 0.030 0.000 1.031 630 I CB 2.391 40.354 38.000 -0.061 0.000 1.231 630 I HN 0.817 nan 8.210 nan 0.000 0.427 631 E N 3.638 123.833 120.200 -0.009 0.000 2.410 631 E HA 0.652 5.002 4.350 0.000 0.000 0.269 631 E C -2.918 173.654 176.600 -0.046 0.000 0.937 631 E CA -2.419 53.986 56.400 0.009 0.000 0.793 631 E CB 1.968 31.717 29.700 0.081 0.000 1.314 631 E HN 0.106 nan 8.360 nan 0.000 0.447 632 P HA 0.123 nan 4.420 nan 0.000 0.276 632 P C -0.337 176.935 177.300 -0.047 0.000 1.253 632 P CA -0.367 62.703 63.100 -0.051 0.000 0.766 632 P CB 0.406 32.094 31.700 -0.019 0.000 0.845 633 c N 2.504 121.017 118.600 -0.145 0.000 2.865 633 c HA 0.341 4.912 4.570 0.000 0.000 0.365 633 c C 1.279 175.376 174.090 0.011 0.000 1.330 633 c CA 0.690 56.900 56.329 -0.199 0.000 2.106 633 c CB -0.613 41.691 42.510 -0.344 0.000 2.590 633 c HN 0.633 nan 8.230 nan 0.000 0.754 634 T N -1.283 113.359 114.554 0.146 0.000 2.677 634 T HA 0.496 4.846 4.350 0.000 0.000 0.305 634 T C -1.578 173.256 174.700 0.224 0.000 1.569 634 T CA -0.410 61.794 62.100 0.172 0.000 0.984 634 T CB 0.815 69.790 68.868 0.178 0.000 1.629 634 T HN 0.533 nan 8.240 nan 0.000 0.494 635 V N 1.158 121.163 119.914 0.152 0.000 2.769 635 V HA 0.726 4.846 4.120 0.000 0.000 0.312 635 V C 1.593 177.755 176.094 0.113 0.000 1.058 635 V CA 0.460 62.837 62.300 0.130 0.000 0.952 635 V CB 0.925 32.796 31.823 0.080 0.000 1.019 635 V HN 1.552 nan 8.190 nan 0.000 0.445 636 G N 1.199 110.059 108.800 0.100 0.000 2.225 636 G HA2 -0.280 3.680 3.960 0.000 0.000 0.254 636 G HA3 -0.280 3.680 3.960 0.000 0.000 0.254 636 G C 0.497 175.428 174.900 0.052 0.000 0.988 636 G CA 0.388 45.527 45.100 0.065 0.000 0.625 636 G HN 1.218 nan 8.290 nan 0.000 0.527 637 H N 2.133 121.181 119.070 -0.036 0.000 3.173 637 H HA 0.058 4.615 4.556 0.000 0.000 0.241 637 H C 0.432 175.647 175.328 -0.188 0.000 0.781 637 H CA 1.217 57.169 56.048 -0.161 0.000 1.436 637 H CB 0.041 29.566 29.762 -0.396 0.000 1.406 637 H HN 0.567 nan 8.280 nan 0.000 0.491 638 R N 4.908 125.126 120.500 -0.469 0.000 2.670 638 R HA 0.608 4.948 4.340 0.000 0.000 0.289 638 R C -0.194 175.726 176.300 -0.633 0.000 0.965 638 R CA -1.050 54.789 56.100 -0.436 0.000 0.899 638 R CB 1.969 32.211 30.300 -0.097 0.000 1.173 638 R HN 0.538 nan 8.270 nan 0.000 0.456 639 R N 1.757 121.855 120.500 -0.670 0.000 2.680 639 R HA 0.365 4.705 4.340 0.000 0.000 0.269 639 R C -1.572 174.303 176.300 -0.709 0.000 1.026 639 R CA -0.944 54.721 56.100 -0.725 0.000 0.889 639 R CB 1.684 31.395 30.300 -0.981 0.000 1.241 639 R HN 0.576 nan 8.270 nan 0.000 0.463 640 Y N 0.905 120.791 120.300 -0.690 0.000 2.361 640 Y HA 0.504 5.054 4.550 0.000 0.000 0.337 640 Y C -0.573 175.028 175.900 -0.498 0.000 0.965 640 Y CA -0.542 57.321 58.100 -0.394 0.000 1.091 640 Y CB 1.686 39.960 38.460 -0.310 0.000 1.182 640 Y HN 0.371 nan 8.280 nan 0.000 0.450 641 F N 1.102 121.253 119.950 0.334 0.000 2.477 641 F HA 0.315 4.842 4.527 0.000 0.000 0.335 641 F C 0.483 176.532 175.800 0.415 0.000 1.130 641 F CA -1.240 56.931 58.000 0.285 0.000 0.948 641 F CB 1.663 40.724 39.000 0.101 0.000 1.154 641 F HN 0.321 nan 8.300 nan 0.000 0.439 642 T N 4.187 119.074 114.554 0.555 0.000 2.656 642 T HA -0.120 4.230 4.350 0.000 0.000 0.258 642 T C -0.893 174.039 174.700 0.386 0.000 1.020 642 T CA 1.106 63.388 62.100 0.304 0.000 1.191 642 T CB -0.610 68.363 68.868 0.175 0.000 1.004 642 T HN 0.354 nan 8.240 nan 0.000 0.498 643 F N 3.918 123.931 119.950 0.106 0.000 2.659 643 F HA 0.531 5.058 4.527 0.000 0.000 0.342 643 F C 0.700 176.559 175.800 0.097 0.000 1.168 643 F CA -0.051 58.066 58.000 0.195 0.000 1.003 643 F CB 0.441 39.620 39.000 0.299 0.000 1.267 643 F HN 0.824 nan 8.300 nan 0.000 0.463 644 G N 4.032 112.668 108.800 -0.275 0.000 2.583 644 G HA2 -0.290 3.670 3.960 0.000 0.000 0.292 644 G HA3 -0.290 3.670 3.960 0.000 0.000 0.292 644 G C 1.077 175.827 174.900 -0.251 0.000 1.203 644 G CA 0.160 45.044 45.100 -0.360 0.000 0.987 644 G HN 1.549 nan 8.290 nan 0.000 0.554 645 G N 0.763 109.458 108.800 -0.175 0.000 2.848 645 G HA2 0.562 4.522 3.960 0.000 0.000 0.208 645 G HA3 0.562 4.522 3.960 0.000 0.000 0.208 645 G C 0.784 175.596 174.900 -0.147 0.000 1.152 645 G CA 1.624 46.642 45.100 -0.136 0.000 0.789 645 G HN 1.762 nan 8.290 nan 0.000 0.531 646 G N -1.199 107.507 108.800 -0.156 0.000 3.003 646 G HA2 0.556 4.516 3.960 0.000 0.000 0.243 646 G HA3 0.556 4.516 3.960 0.000 0.000 0.243 646 G C -1.682 173.053 174.900 -0.275 0.000 1.176 646 G CA -0.907 44.076 45.100 -0.195 0.000 0.812 646 G HN 0.034 nan 8.290 nan 0.000 0.584 647 Y N -1.570 118.879 120.300 0.248 0.000 2.485 647 Y HA 0.648 5.198 4.550 0.000 0.000 0.345 647 Y C -0.083 176.047 175.900 0.383 0.000 0.998 647 Y CA -0.849 57.446 58.100 0.325 0.000 1.059 647 Y CB 2.544 41.188 38.460 0.308 0.000 1.234 647 Y HN 0.346 nan 8.280 nan 0.000 0.461 648 V N 3.333 123.596 119.914 0.582 0.000 2.547 648 V HA 0.418 4.538 4.120 0.000 0.000 0.299 648 V C -1.574 174.718 176.094 0.329 0.000 1.040 648 V CA -0.665 61.882 62.300 0.412 0.000 0.913 648 V CB 1.440 33.447 31.823 0.306 0.000 0.992 648 V HN 0.685 nan 8.190 nan 0.000 0.449 649 Y N 5.942 126.157 120.300 -0.141 0.000 2.468 649 Y HA 0.743 5.293 4.550 0.000 0.000 0.342 649 Y C -1.377 174.362 175.900 -0.268 0.000 1.021 649 Y CA -1.604 56.241 58.100 -0.424 0.000 1.079 649 Y CB 1.874 39.804 38.460 -0.883 0.000 1.226 649 Y HN 0.553 nan 8.280 nan 0.000 0.460 650 F N 3.302 122.536 119.950 -1.193 0.000 2.574 650 F HA 0.418 4.945 4.527 0.000 0.000 0.313 650 F C -0.872 174.404 175.800 -0.872 0.000 1.130 650 F CA -0.905 56.672 58.000 -0.706 0.000 0.936 650 F CB 2.085 41.068 39.000 -0.028 0.000 1.219 650 F HN 0.447 nan 8.300 nan 0.000 0.445 651 E N 2.523 122.452 120.200 -0.452 0.000 2.176 651 E HA 0.373 4.723 4.350 0.000 0.000 0.267 651 E C -0.817 175.804 176.600 0.034 0.000 0.893 651 E CA -0.806 55.483 56.400 -0.185 0.000 0.761 651 E CB 1.587 31.180 29.700 -0.179 0.000 1.133 651 E HN 0.567 nan 8.360 nan 0.000 0.409 652 E N 1.717 122.012 120.200 0.159 0.000 2.228 652 E HA -0.275 4.075 4.350 0.000 0.000 0.213 652 E C -0.960 175.664 176.600 0.041 0.000 1.282 652 E CA 0.562 57.001 56.400 0.065 0.000 0.707 652 E CB -1.693 28.076 29.700 0.115 0.000 1.150 652 E HN 0.704 nan 8.360 nan 0.000 0.362 653 Y N -4.799 115.318 120.300 -0.306 0.000 4.753 653 Y HA -0.352 4.198 4.550 0.000 0.000 0.232 653 Y C 0.569 176.598 175.900 0.215 0.000 1.029 653 Y CA 0.687 58.734 58.100 -0.088 0.000 1.996 653 Y CB -1.730 36.609 38.460 -0.201 0.000 1.602 653 Y HN 0.442 nan 8.280 nan 0.000 0.621 654 A N -0.330 122.585 122.820 0.158 0.000 2.287 654 A HA 0.558 4.878 4.320 0.000 0.000 0.317 654 A C -0.525 176.723 177.584 -0.560 0.000 1.220 654 A CA -0.721 51.283 52.037 -0.055 0.000 0.835 654 A CB 0.233 19.213 19.000 -0.033 0.000 1.180 654 A HN 0.296 nan 8.150 nan 0.000 0.500 655 Y N 3.133 122.785 120.300 -1.080 0.000 2.881 655 Y HA 0.066 4.616 4.550 0.000 0.000 0.335 655 Y C 1.325 176.843 175.900 -0.636 0.000 1.263 655 Y CA 1.689 58.967 58.100 -1.370 0.000 1.572 655 Y CB 0.710 38.733 38.460 -0.728 0.000 1.237 655 Y HN 0.710 nan 8.280 nan 0.000 0.568 656 S N 4.400 119.520 115.700 -0.967 0.000 2.559 656 S HA 0.138 4.608 4.470 0.000 0.000 0.212 656 S C -0.204 174.152 174.600 -0.407 0.000 0.994 656 S CA 0.604 58.521 58.200 -0.472 0.000 0.903 656 S CB -0.111 62.906 63.200 -0.304 0.000 0.861 656 S HN 0.933 nan 8.310 nan 0.000 0.601 657 H N -0.818 117.932 119.070 -0.533 0.000 2.883 657 H HA 0.519 5.075 4.556 0.000 0.000 0.277 657 H C -1.438 173.799 175.328 -0.152 0.000 1.451 657 H CA -0.883 55.001 56.048 -0.274 0.000 1.157 657 H CB 0.391 30.131 29.762 -0.038 0.000 1.851 657 H HN 0.291 nan 8.280 nan 0.000 0.566 658 Q N 0.146 120.102 119.800 0.259 0.000 2.306 658 Q HA 0.707 5.047 4.340 0.000 0.000 0.269 658 Q C -0.783 175.435 176.000 0.364 0.000 1.053 658 Q CA -1.011 54.973 55.803 0.302 0.000 0.879 658 Q CB 3.017 31.968 28.738 0.356 0.000 1.344 658 Q HN 0.436 nan 8.270 nan 0.000 0.464 659 L N -0.897 120.525 121.223 0.333 0.000 2.502 659 L HA 0.572 4.912 4.340 0.000 0.000 0.253 659 L C -0.747 176.270 176.870 0.245 0.000 1.070 659 L CA -0.701 54.315 54.840 0.295 0.000 0.871 659 L CB 2.279 44.546 42.059 0.346 0.000 1.487 659 L HN 0.450 nan 8.230 nan 0.000 0.408 660 S N -1.257 114.560 115.700 0.195 0.000 2.600 660 S HA 0.469 4.939 4.470 0.000 0.000 0.300 660 S C 0.707 175.409 174.600 0.169 0.000 1.087 660 S CA -0.640 57.642 58.200 0.137 0.000 0.965 660 S CB 1.859 65.111 63.200 0.086 0.000 1.089 660 S HN 0.581 nan 8.310 nan 0.000 0.496 661 R N 1.279 121.846 120.500 0.112 0.000 2.117 661 R HA -0.171 4.169 4.340 0.000 0.000 0.243 661 R C 2.174 178.544 176.300 0.117 0.000 1.143 661 R CA 1.574 57.770 56.100 0.160 0.000 0.968 661 R CB -0.737 29.604 30.300 0.067 0.000 0.863 661 R HN 0.670 nan 8.270 nan 0.000 0.444 662 A N 1.699 124.564 122.820 0.075 0.000 1.978 662 A HA -0.180 4.140 4.320 0.000 0.000 0.220 662 A C 1.362 178.973 177.584 0.045 0.000 1.170 662 A CA 1.749 53.816 52.037 0.050 0.000 0.636 662 A CB -0.320 18.703 19.000 0.039 0.000 0.810 662 A HN 0.175 nan 8.150 nan 0.000 0.448 663 D N -0.457 119.983 120.400 0.066 0.000 2.351 663 D HA 0.037 4.677 4.640 0.000 0.000 0.216 663 D C 0.401 176.708 176.300 0.012 0.000 0.968 663 D CA 0.737 54.767 54.000 0.051 0.000 0.899 663 D CB -0.106 40.747 40.800 0.089 0.000 0.907 663 D HN 0.500 nan 8.370 nan 0.000 0.514 664 I N 0.475 121.052 120.570 0.011 0.000 2.509 664 I HA 0.126 4.296 4.170 0.000 0.000 0.293 664 I C 0.356 176.446 176.117 -0.044 0.000 1.020 664 I CA -0.943 60.319 61.300 -0.065 0.000 1.088 664 I CB 2.027 39.946 38.000 -0.136 0.000 1.267 664 I HN -0.225 nan 8.210 nan 0.000 0.430 665 T N 1.250 115.762 114.554 -0.070 0.000 2.932 665 T HA 0.202 4.552 4.350 0.000 0.000 0.312 665 T C 0.081 174.750 174.700 -0.053 0.000 1.071 665 T CA -0.376 61.692 62.100 -0.053 0.000 1.128 665 T CB 0.570 69.401 68.868 -0.061 0.000 0.984 665 T HN 0.570 nan 8.240 nan 0.000 0.549 666 T N 2.369 116.903 114.554 -0.034 0.000 2.807 666 T HA 0.607 4.957 4.350 0.000 0.000 0.279 666 T C 0.220 174.894 174.700 -0.044 0.000 0.993 666 T CA -0.763 61.318 62.100 -0.033 0.000 0.970 666 T CB 1.265 70.130 68.868 -0.006 0.000 0.950 666 T HN 0.884 nan 8.240 nan 0.000 0.441 667 V N 0.353 120.227 119.914 -0.067 0.000 3.103 667 V HA 0.941 5.061 4.120 0.000 0.000 0.318 667 V C -0.156 175.863 176.094 -0.125 0.000 1.114 667 V CA -0.854 61.399 62.300 -0.078 0.000 1.020 667 V CB 2.051 33.825 31.823 -0.081 0.000 1.085 667 V HN 0.749 nan 8.190 nan 0.000 0.446 668 S N -0.397 115.218 115.700 -0.143 0.000 2.513 668 S HA 0.528 4.998 4.470 0.000 0.000 0.299 668 S C 0.315 174.724 174.600 -0.319 0.000 1.087 668 S CA 0.005 58.042 58.200 -0.271 0.000 1.012 668 S CB 1.832 64.954 63.200 -0.131 0.000 1.044 668 S HN 1.067 nan 8.310 nan 0.000 0.485 669 T N 3.925 118.122 114.554 -0.594 0.000 3.206 669 T HA 0.368 4.718 4.350 0.000 0.000 0.253 669 T C -0.957 173.609 174.700 -0.223 0.000 1.042 669 T CA 0.050 61.920 62.100 -0.384 0.000 0.931 669 T CB -0.544 68.111 68.868 -0.355 0.000 1.029 669 T HN 0.391 nan 8.240 nan 0.000 0.564 670 F N 1.105 121.059 119.950 0.006 0.000 2.443 670 F HA 0.589 5.116 4.527 0.000 0.000 0.335 670 F C 0.157 175.965 175.800 0.013 0.000 1.104 670 F CA -2.548 55.461 58.000 0.014 0.000 1.013 670 F CB 0.582 39.593 39.000 0.018 0.000 1.136 670 F HN -0.096 nan 8.300 nan 0.000 0.470 671 I N 2.988 123.686 120.570 0.212 0.000 2.428 671 I HA 0.159 4.329 4.170 0.000 0.000 0.289 671 I C 0.270 176.454 176.117 0.111 0.000 1.019 671 I CA -0.110 61.265 61.300 0.125 0.000 1.351 671 I CB 0.250 38.302 38.000 0.087 0.000 1.412 671 I HN 0.390 nan 8.210 nan 0.000 0.513 672 D N 5.121 125.571 120.400 0.083 0.000 2.304 672 D HA 0.502 5.142 4.640 0.000 0.000 0.247 672 D C -0.814 175.512 176.300 0.043 0.000 1.089 672 D CA 0.009 54.045 54.000 0.061 0.000 0.910 672 D CB 1.489 42.319 40.800 0.051 0.000 1.199 672 D HN 0.221 nan 8.370 nan 0.000 0.426 673 L N 2.311 123.551 121.223 0.028 0.000 2.753 673 L HA 0.210 4.550 4.340 0.000 0.000 0.259 673 L C -1.353 175.521 176.870 0.006 0.000 0.958 673 L CA -0.332 54.520 54.840 0.019 0.000 0.955 673 L CB 1.099 43.172 42.059 0.023 0.000 1.317 673 L HN 0.309 nan 8.230 nan 0.000 0.436 674 N N 6.008 124.711 118.700 0.005 0.000 2.500 674 N HA 0.310 5.050 4.740 0.000 0.000 0.236 674 N C -0.954 174.554 175.510 -0.004 0.000 1.022 674 N CA -0.637 52.413 53.050 -0.001 0.000 0.935 674 N CB 0.674 39.162 38.487 0.001 0.000 1.147 674 N HN 0.433 nan 8.380 nan 0.000 0.512 675 I N 2.913 123.477 120.570 -0.010 0.000 2.396 675 I HA 0.179 4.349 4.170 0.000 0.000 0.292 675 I C 0.874 176.984 176.117 -0.013 0.000 0.999 675 I CA -0.368 60.924 61.300 -0.013 0.000 1.310 675 I CB 1.048 39.035 38.000 -0.022 0.000 1.404 675 I HN 0.477 nan 8.210 nan 0.000 0.496 676 T N 4.211 118.759 114.554 -0.010 0.000 2.887 676 T HA 0.695 5.045 4.350 0.000 0.000 0.288 676 T C -0.078 174.616 174.700 -0.008 0.000 1.021 676 T CA -1.007 61.088 62.100 -0.009 0.000 1.000 676 T CB 1.721 70.586 68.868 -0.006 0.000 1.034 676 T HN 0.515 nan 8.240 nan 0.000 0.467 677 M N 1.858 121.454 119.600 -0.007 0.000 2.241 677 M HA 0.535 5.015 4.480 0.000 0.000 0.335 677 M C -0.345 175.955 176.300 -0.000 0.000 1.122 677 M CA -0.945 54.352 55.300 -0.005 0.000 1.164 677 M CB 0.262 32.860 32.600 -0.003 0.000 1.459 677 M HN 0.529 nan 8.290 nan 0.000 0.461 678 L N 3.310 124.535 121.223 0.004 0.000 2.477 678 L HA 0.158 4.498 4.340 0.000 0.000 0.272 678 L C 0.254 177.134 176.870 0.017 0.000 1.157 678 L CA 0.513 55.358 54.840 0.009 0.000 0.889 678 L CB 0.205 42.273 42.059 0.015 0.000 1.158 678 L HN 0.904 nan 8.230 nan 0.000 0.473 679 E N 3.266 123.474 120.200 0.014 0.000 2.418 679 E HA 0.022 4.372 4.350 0.000 0.000 0.261 679 E C -0.840 175.786 176.600 0.044 0.000 1.070 679 E CA -0.582 55.831 56.400 0.022 0.000 0.931 679 E CB 0.436 30.146 29.700 0.018 0.000 0.954 679 E HN 0.527 nan 8.360 nan 0.000 0.439 680 D N 1.192 121.617 120.400 0.042 0.000 2.382 680 D HA 0.105 4.745 4.640 0.000 0.000 0.245 680 D C -0.601 175.743 176.300 0.073 0.000 1.120 680 D CA 0.417 54.450 54.000 0.054 0.000 0.890 680 D CB 0.563 41.380 40.800 0.027 0.000 1.201 680 D HN 0.418 nan 8.370 nan 0.000 0.433 681 H N 1.122 120.151 119.070 -0.069 0.000 2.865 681 H HA 0.274 4.830 4.556 0.000 0.000 0.362 681 H C -1.271 173.892 175.328 -0.276 0.000 1.114 681 H CA -0.591 55.332 56.048 -0.209 0.000 1.208 681 H CB 1.732 31.302 29.762 -0.320 0.000 1.727 681 H HN 0.338 nan 8.280 nan 0.000 0.534 682 E N 4.224 123.912 120.200 -0.853 0.000 2.145 682 E HA 0.249 4.599 4.350 0.000 0.000 0.270 682 E C -1.249 174.942 176.600 -0.683 0.000 0.906 682 E CA -0.717 55.371 56.400 -0.519 0.000 0.761 682 E CB 0.771 30.305 29.700 -0.277 0.000 1.116 682 E HN 0.288 nan 8.360 nan 0.000 0.408 683 F N 4.927 124.801 119.950 -0.127 0.000 2.375 683 F HA 0.193 4.720 4.527 0.000 0.000 0.362 683 F C 0.242 176.025 175.800 -0.029 0.000 1.129 683 F CA -0.867 57.114 58.000 -0.031 0.000 1.154 683 F CB 0.666 39.697 39.000 0.051 0.000 1.205 683 F HN 0.186 nan 8.300 nan 0.000 0.513 684 V N 1.935 121.896 119.914 0.079 0.000 2.686 684 V HA 0.555 4.675 4.120 0.000 0.000 0.295 684 V C -2.090 174.051 176.094 0.078 0.000 1.057 684 V CA -2.232 60.099 62.300 0.052 0.000 1.012 684 V CB 0.207 32.032 31.823 0.004 0.000 1.006 684 V HN 0.468 nan 8.190 nan 0.000 0.477 685 P HA 0.416 nan 4.420 nan 0.000 0.265 685 P C -0.927 176.400 177.300 0.045 0.000 1.187 685 P CA 0.104 63.236 63.100 0.052 0.000 0.766 685 P CB 0.336 32.058 31.700 0.038 0.000 0.820 686 L N 1.966 123.215 121.223 0.044 0.000 2.588 686 L HA 0.385 4.725 4.340 0.000 0.000 0.263 686 L C -1.328 175.557 176.870 0.025 0.000 0.935 686 L CA -0.150 54.709 54.840 0.031 0.000 0.891 686 L CB 1.930 44.013 42.059 0.039 0.000 1.318 686 L HN 0.407 nan 8.230 nan 0.000 0.409 687 E N 3.599 123.804 120.200 0.009 0.000 2.292 687 E HA 0.388 4.738 4.350 0.000 0.000 0.272 687 E C 0.183 176.755 176.600 -0.046 0.000 0.881 687 E CA -0.852 55.553 56.400 0.008 0.000 0.754 687 E CB 2.349 32.070 29.700 0.035 0.000 1.201 687 E HN 0.374 nan 8.360 nan 0.000 0.425 688 V N 1.334 121.198 119.914 -0.083 0.000 2.343 688 V HA -0.166 3.954 4.120 0.000 0.000 0.247 688 V C 0.121 175.896 176.094 -0.531 0.000 1.051 688 V CA 1.426 63.550 62.300 -0.294 0.000 1.036 688 V CB -0.596 31.065 31.823 -0.271 0.000 0.654 688 V HN 0.558 nan 8.190 nan 0.000 0.451 689 Y N -0.495 119.822 120.300 0.028 0.000 2.421 689 Y HA 0.494 5.044 4.550 0.000 0.000 0.339 689 Y C 0.535 176.455 175.900 0.033 0.000 0.996 689 Y CA -0.917 57.200 58.100 0.028 0.000 1.046 689 Y CB 1.455 39.926 38.460 0.019 0.000 1.226 689 Y HN 0.024 nan 8.280 nan 0.000 0.445 690 T N -1.389 113.270 114.554 0.176 0.000 2.766 690 T HA 0.199 4.549 4.350 0.000 0.000 0.295 690 T C 1.264 176.042 174.700 0.130 0.000 1.024 690 T CA -0.545 61.634 62.100 0.131 0.000 1.018 690 T CB 1.130 70.069 68.868 0.118 0.000 1.002 690 T HN 0.839 nan 8.240 nan 0.000 0.532 691 R N -0.665 119.899 120.500 0.107 0.000 2.127 691 R HA -0.164 4.176 4.340 0.000 0.000 0.238 691 R C 2.291 178.644 176.300 0.090 0.000 1.134 691 R CA 1.817 57.968 56.100 0.086 0.000 0.975 691 R CB -0.579 29.766 30.300 0.075 0.000 0.865 691 R HN 0.936 nan 8.270 nan 0.000 0.447 692 H N 0.318 119.413 119.070 0.041 0.000 2.428 692 H HA 0.011 4.567 4.556 0.000 0.000 0.296 692 H C 1.539 176.890 175.328 0.039 0.000 1.062 692 H CA 1.623 57.692 56.048 0.035 0.000 1.350 692 H CB 0.244 30.024 29.762 0.031 0.000 1.403 692 H HN 0.274 nan 8.280 nan 0.000 0.533 693 E N 0.269 120.494 120.200 0.041 0.000 2.085 693 E HA -0.164 4.186 4.350 0.000 0.000 0.194 693 E C 2.113 178.655 176.600 -0.097 0.000 0.994 693 E CA 1.351 57.756 56.400 0.008 0.000 0.801 693 E CB 0.048 29.848 29.700 0.166 0.000 0.743 693 E HN 0.581 nan 8.360 nan 0.000 0.453 694 I N 1.015 121.541 120.570 -0.074 0.000 2.353 694 I HA -0.216 3.954 4.170 0.000 0.000 0.248 694 I C 2.548 178.589 176.117 -0.126 0.000 1.119 694 I CA 0.950 62.184 61.300 -0.108 0.000 1.417 694 I CB -0.331 37.632 38.000 -0.062 0.000 1.078 694 I HN 0.044 nan 8.210 nan 0.000 0.421 695 K N 0.852 121.163 120.400 -0.149 0.000 2.280 695 K HA -0.249 4.071 4.320 0.000 0.000 0.202 695 K C 1.194 177.662 176.600 -0.221 0.000 1.047 695 K CA 1.691 57.882 56.287 -0.160 0.000 0.942 695 K CB -0.029 32.385 32.500 -0.143 0.000 0.739 695 K HN 0.203 nan 8.250 nan 0.000 0.457 696 D N -0.878 119.334 120.400 -0.314 0.000 2.363 696 D HA 0.010 4.650 4.640 0.000 0.000 0.214 696 D C 1.335 177.556 176.300 -0.130 0.000 1.093 696 D CA 0.235 54.089 54.000 -0.244 0.000 0.837 696 D CB 0.443 41.048 40.800 -0.325 0.000 0.948 696 D HN 0.176 nan 8.370 nan 0.000 0.507 697 S N -1.286 114.339 115.700 -0.125 0.000 2.406 697 S HA 0.135 4.605 4.470 0.000 0.000 0.224 697 S C 1.550 176.104 174.600 -0.076 0.000 1.030 697 S CA 0.036 58.174 58.200 -0.103 0.000 0.958 697 S CB -0.477 62.640 63.200 -0.138 0.000 0.811 697 S HN 0.181 nan 8.310 nan 0.000 0.489 698 G N 2.022 110.782 108.800 -0.067 0.000 2.340 698 G HA2 0.385 4.345 3.960 0.000 0.000 0.245 698 G HA3 0.385 4.345 3.960 0.000 0.000 0.245 698 G C 0.544 175.425 174.900 -0.032 0.000 1.294 698 G CA -0.384 44.688 45.100 -0.046 0.000 0.896 698 G HN 0.277 nan 8.290 nan 0.000 0.522 699 L N 2.807 124.014 121.223 -0.026 0.000 1.970 699 L HA 0.098 4.438 4.340 0.000 0.000 0.212 699 L C 1.277 178.143 176.870 -0.006 0.000 1.071 699 L CA 1.533 56.362 54.840 -0.017 0.000 0.751 699 L CB -0.462 41.586 42.059 -0.018 0.000 0.889 699 L HN 0.461 nan 8.230 nan 0.000 0.432 700 L N 0.357 121.580 121.223 0.001 0.000 2.317 700 L HA 0.299 4.639 4.340 0.000 0.000 0.281 700 L C -0.580 176.311 176.870 0.035 0.000 1.024 700 L CA -0.438 54.414 54.840 0.020 0.000 0.810 700 L CB 1.383 43.458 42.059 0.026 0.000 1.240 700 L HN 0.122 nan 8.230 nan 0.000 0.427 701 D N 1.388 121.817 120.400 0.048 0.000 2.381 701 D HA 0.024 4.664 4.640 0.000 0.000 0.235 701 D C 0.242 176.610 176.300 0.112 0.000 1.068 701 D CA -0.381 53.659 54.000 0.068 0.000 0.832 701 D CB 1.439 42.262 40.800 0.038 0.000 1.101 701 D HN 0.456 nan 8.370 nan 0.000 0.515 702 Y N 3.559 123.858 120.300 -0.001 0.000 2.145 702 Y HA -0.218 4.332 4.550 0.000 0.000 0.286 702 Y C 2.025 177.930 175.900 0.008 0.000 1.145 702 Y CA 1.922 60.025 58.100 0.003 0.000 1.148 702 Y CB -0.425 38.038 38.460 0.005 0.000 0.981 702 Y HN 0.381 nan 8.280 nan 0.000 0.507 703 T N 0.401 114.920 114.554 -0.058 0.000 2.652 703 T HA -0.212 4.138 4.350 0.000 0.000 0.267 703 T C 1.717 176.346 174.700 -0.119 0.000 1.039 703 T CA 1.875 63.888 62.100 -0.146 0.000 1.153 703 T CB -0.303 68.546 68.868 -0.030 0.000 0.863 703 T HN 0.432 nan 8.240 nan 0.000 0.428 704 E N 0.223 120.396 120.200 -0.044 0.000 2.070 704 E HA -0.129 4.221 4.350 0.000 0.000 0.197 704 E C 2.380 178.959 176.600 -0.036 0.000 1.004 704 E CA 1.209 57.595 56.400 -0.025 0.000 0.805 704 E CB -0.279 29.425 29.700 0.006 0.000 0.744 704 E HN 0.225 nan 8.360 nan 0.000 0.451 705 V N 1.366 121.258 119.914 -0.037 0.000 2.261 705 V HA -0.277 3.843 4.120 0.000 0.000 0.246 705 V C 2.418 178.471 176.094 -0.069 0.000 1.047 705 V CA 1.638 63.922 62.300 -0.027 0.000 1.015 705 V CB -0.526 31.304 31.823 0.011 0.000 0.642 705 V HN 0.265 nan 8.190 nan 0.000 0.446 706 Q N -0.148 119.545 119.800 -0.177 0.000 2.045 706 Q HA -0.271 4.069 4.340 0.000 0.000 0.206 706 Q C 2.385 178.319 176.000 -0.111 0.000 0.991 706 Q CA 2.145 57.826 55.803 -0.203 0.000 0.851 706 Q CB -0.564 27.927 28.738 -0.412 0.000 0.911 706 Q HN 0.596 nan 8.270 nan 0.000 0.418 707 R N 0.548 120.988 120.500 -0.100 0.000 2.094 707 R HA -0.180 4.160 4.340 0.000 0.000 0.239 707 R C 2.381 178.667 176.300 -0.022 0.000 1.137 707 R CA 1.830 57.897 56.100 -0.054 0.000 0.943 707 R CB -0.164 30.110 30.300 -0.043 0.000 0.850 707 R HN 0.125 nan 8.270 nan 0.000 0.433 708 R N 0.080 120.574 120.500 -0.009 0.000 2.070 708 R HA -0.135 4.205 4.340 0.000 0.000 0.232 708 R C 2.034 178.368 176.300 0.058 0.000 1.138 708 R CA 2.057 58.173 56.100 0.025 0.000 0.936 708 R CB -0.310 30.011 30.300 0.036 0.000 0.839 708 R HN 0.289 nan 8.270 nan 0.000 0.429 709 N N 1.045 119.772 118.700 0.046 0.000 2.069 709 N HA -0.224 4.516 4.740 0.000 0.000 0.196 709 N C 1.243 176.799 175.510 0.078 0.000 1.024 709 N CA 1.660 54.747 53.050 0.061 0.000 0.869 709 N CB -0.287 38.208 38.487 0.014 0.000 1.035 709 N HN 0.442 nan 8.380 nan 0.000 0.434 710 Q N -0.278 119.544 119.800 0.036 0.000 2.373 710 Q HA 0.156 4.497 4.340 0.000 0.000 0.206 710 Q C 0.994 177.020 176.000 0.043 0.000 0.942 710 Q CA 0.054 55.878 55.803 0.035 0.000 0.953 710 Q CB 0.195 28.933 28.738 0.001 0.000 1.022 710 Q HN 0.399 nan 8.270 nan 0.000 0.502 711 L N -1.372 119.888 121.223 0.062 0.000 2.616 711 L HA 0.056 4.396 4.340 0.000 0.000 0.229 711 L C 1.745 178.656 176.870 0.068 0.000 1.110 711 L CA 0.038 54.898 54.840 0.034 0.000 0.884 711 L CB 0.033 42.089 42.059 -0.005 0.000 1.115 711 L HN 0.292 nan 8.230 nan 0.000 0.481 712 H N 0.909 120.028 119.070 0.081 0.000 2.319 712 H HA -0.228 4.328 4.556 0.000 0.000 0.297 712 H C 1.546 176.985 175.328 0.184 0.000 1.097 712 H CA 2.346 58.514 56.048 0.200 0.000 1.285 712 H CB 0.334 30.197 29.762 0.169 0.000 1.368 712 H HN 0.225 nan 8.280 nan 0.000 0.495 713 D N -0.679 119.822 120.400 0.169 0.000 2.249 713 D HA -0.034 4.606 4.640 0.000 0.000 0.205 713 D C 2.189 178.495 176.300 0.010 0.000 0.962 713 D CA 0.462 54.522 54.000 0.100 0.000 0.860 713 D CB -0.047 40.817 40.800 0.106 0.000 0.955 713 D HN 0.373 nan 8.370 nan 0.000 0.505 714 L N 0.164 121.374 121.223 -0.022 0.000 2.156 714 L HA -0.012 4.328 4.340 0.000 0.000 0.208 714 L C 2.395 179.179 176.870 -0.144 0.000 1.095 714 L CA 0.928 55.730 54.840 -0.063 0.000 0.770 714 L CB 0.001 42.027 42.059 -0.054 0.000 0.914 714 L HN -0.085 nan 8.230 nan 0.000 0.439 715 R N -0.933 119.415 120.500 -0.253 0.000 2.057 715 R HA 0.016 4.356 4.340 0.000 0.000 0.224 715 R C 1.911 177.861 176.300 -0.583 0.000 1.136 715 R CA 1.280 57.063 56.100 -0.528 0.000 0.968 715 R CB -0.187 29.595 30.300 -0.863 0.000 0.863 715 R HN 0.221 nan 8.270 nan 0.000 0.433 716 F N -0.239 119.598 119.950 -0.188 0.000 2.717 716 F HA 0.364 4.891 4.527 0.000 0.000 0.295 716 F C 1.010 176.746 175.800 -0.108 0.000 1.117 716 F CA -0.358 57.529 58.000 -0.190 0.000 1.361 716 F CB 0.596 39.377 39.000 -0.366 0.000 1.112 716 F HN 0.024 nan 8.300 nan 0.000 0.594 717 A N -0.953 121.906 122.820 0.065 0.000 2.539 717 A HA 0.556 4.876 4.320 0.000 0.000 0.272 717 A C -1.544 176.057 177.584 0.028 0.000 1.286 717 A CA -0.432 51.642 52.037 0.061 0.000 0.792 717 A CB 0.770 19.823 19.000 0.087 0.000 1.355 717 A HN -0.057 nan 8.150 nan 0.000 0.472 718 D N 0.318 120.738 120.400 0.032 0.000 2.505 718 D HA 0.391 5.031 4.640 0.000 0.000 0.250 718 D C 0.265 176.579 176.300 0.024 0.000 1.164 718 D CA -0.266 53.746 54.000 0.020 0.000 0.870 718 D CB 1.026 41.838 40.800 0.019 0.000 1.160 718 D HN 0.511 nan 8.370 nan 0.000 0.549 719 I N 0.012 120.593 120.570 0.018 0.000 3.883 719 I HA 0.301 4.471 4.170 0.000 0.000 0.326 719 I C 0.070 176.196 176.117 0.015 0.000 1.283 719 I CA 0.021 61.333 61.300 0.020 0.000 1.161 719 I CB 0.485 38.496 38.000 0.018 0.000 1.012 719 I HN -0.039 nan 8.210 nan 0.000 0.421 720 D N 0.765 121.173 120.400 0.013 0.000 2.469 720 D HA 0.118 4.758 4.640 0.000 0.000 0.240 720 D C 0.476 176.786 176.300 0.016 0.000 1.087 720 D CA 0.575 54.582 54.000 0.012 0.000 0.876 720 D CB 0.625 41.430 40.800 0.008 0.000 1.160 720 D HN 0.163 nan 8.370 nan 0.000 0.497 721 T N 1.413 115.979 114.554 0.019 0.000 2.851 721 T HA 0.313 4.663 4.350 0.000 0.000 0.298 721 T C 0.248 174.967 174.700 0.033 0.000 0.977 721 T CA -0.138 61.977 62.100 0.025 0.000 1.126 721 T CB 1.814 70.697 68.868 0.024 0.000 0.916 721 T HN -0.279 nan 8.240 nan 0.000 0.529 722 V N 5.683 125.623 119.914 0.044 0.000 2.398 722 V HA 0.412 4.532 4.120 0.000 0.000 0.286 722 V C 0.117 176.271 176.094 0.101 0.000 1.026 722 V CA -0.898 61.440 62.300 0.063 0.000 0.868 722 V CB 1.135 32.996 31.823 0.064 0.000 0.982 722 V HN 0.707 nan 8.190 nan 0.000 0.443 723 I N 5.335 125.969 120.570 0.106 0.000 2.498 723 I HA 0.753 4.923 4.170 0.000 0.000 0.301 723 I C -0.052 176.209 176.117 0.240 0.000 0.984 723 I CA -0.111 61.261 61.300 0.119 0.000 1.204 723 I CB 1.310 39.355 38.000 0.075 0.000 1.362 723 I HN 1.136 nan 8.210 nan 0.000 0.471 724 H N 0.000 119.075 119.070 0.009 0.000 2.539 724 H HA 0.000 4.556 4.556 0.000 0.000 0.296 724 H CA 0.000 56.053 56.048 0.009 0.000 1.023 724 H CB 0.000 29.768 29.762 0.009 0.000 1.292 724 H HN 0.000 nan 8.280 nan 0.000 0.496