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 2gw1_1_A DATA FIRST_RESID 94 DATA SEQUENCE EKDKYALALK DKGNQFFRNK KYDDAIKYYN WALELKEDPV FYSNLSACYV DATA SEQUENCE SVGDLKKVVE MSTKALELKP DYSKVLLRRA SANEGLGKFA DAMFDLSVLS DATA SEQUENCE LNGDFNDASI EPMLERNLNK QAMSKLKEKX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXNLPS VTSMASFFGI FKPELTFANY DESNEADKEL MNGLSNLYKR DATA SEQUENCE SPESYDKADE SFTKAARLFE EQLDKNNEDE KLKEKLAISL EHTGIFKFLK DATA SEQUENCE NDPLGAHEDI KKAIELFPRV NSYIYMALIM ADRNDSTEYY NYFDKALKLD DATA SEQUENCE SNNSSVYYHR GQMNFILQNY DQAGKDFDKA KELDPENIFP YIQLAcLAYR DATA SEQUENCE ENKFDDcETL FSEAKRKFPE APEVPNFFAE ILTDKNDFDK ALKQYDLAIE DATA SEQUENCE LENKLDGIYV GIAPLVGKAT LLTRNPTVEN FIEATNLLEK ASKLDPRSEQ DATA SEQUENCE AKIGLAQMKL QQEDIDEAIT LFEESADLAR TMEEKLQAIT FAEAAKVQQR DATA SEQUENCE IRSDPVLAKK IQET 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 94 E HA 0.000 nan 4.350 nan 0.000 0.291 94 E C 0.000 176.639 176.600 0.065 0.000 1.382 94 E CA 0.000 56.426 56.400 0.043 0.000 0.976 94 E CB 0.000 29.721 29.700 0.036 0.000 0.812 95 K N -0.169 120.272 120.400 0.069 0.000 2.147 95 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 95 K C 0.613 177.284 176.600 0.119 0.000 1.049 95 K CA 1.819 58.161 56.287 0.091 0.000 0.936 95 K CB -0.027 32.516 32.500 0.071 0.000 0.722 95 K HN -0.041 nan 8.250 nan 0.000 0.446 96 D N 1.429 121.888 120.400 0.100 0.000 2.263 96 D HA -0.158 4.482 4.640 -0.000 0.000 0.208 96 D C 1.720 178.083 176.300 0.105 0.000 0.971 96 D CA 1.157 55.224 54.000 0.111 0.000 0.867 96 D CB 0.003 40.848 40.800 0.075 0.000 0.929 96 D HN 0.237 nan 8.370 nan 0.000 0.492 97 K N -0.057 120.392 120.400 0.080 0.000 2.002 97 K HA -0.160 4.160 4.320 -0.000 0.000 0.209 97 K C 1.452 178.069 176.600 0.028 0.000 1.048 97 K CA 1.262 57.570 56.287 0.035 0.000 0.930 97 K CB -0.616 31.893 32.500 0.015 0.000 0.714 97 K HN 0.171 nan 8.250 nan 0.000 0.438 98 Y N 0.021 120.352 120.300 0.051 0.000 2.490 98 Y HA 0.320 4.870 4.550 -0.000 0.000 0.281 98 Y C 1.674 177.616 175.900 0.070 0.000 1.174 98 Y CA 0.122 58.252 58.100 0.050 0.000 1.295 98 Y CB -0.060 38.412 38.460 0.019 0.000 1.062 98 Y HN 0.219 nan 8.280 nan 0.000 0.522 99 A N -0.490 122.484 122.820 0.257 0.000 1.903 99 A HA -0.060 4.260 4.320 -0.000 0.000 0.213 99 A C 2.116 179.908 177.584 0.347 0.000 1.185 99 A CA 1.077 53.274 52.037 0.267 0.000 0.628 99 A CB -0.686 18.487 19.000 0.288 0.000 0.830 99 A HN 0.372 nan 8.150 nan 0.000 0.446 100 L N -0.168 121.212 121.223 0.261 0.000 2.072 100 L HA -0.042 4.298 4.340 -0.000 0.000 0.205 100 L C 2.500 179.475 176.870 0.175 0.000 1.079 100 L CA 2.387 57.356 54.840 0.215 0.000 0.752 100 L CB -1.344 40.780 42.059 0.109 0.000 0.906 100 L HN 0.361 nan 8.230 nan 0.000 0.436 101 A N 0.715 123.597 122.820 0.103 0.000 1.883 101 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 101 A C 2.318 180.026 177.584 0.206 0.000 1.186 101 A CA 2.003 54.057 52.037 0.028 0.000 0.624 101 A CB -0.823 17.975 19.000 -0.336 0.000 0.822 101 A HN 0.534 nan 8.150 nan 0.000 0.444 102 L N -0.628 120.802 121.223 0.344 0.000 1.989 102 L HA -0.249 4.090 4.340 -0.000 0.000 0.211 102 L C 2.647 179.733 176.870 0.360 0.000 1.071 102 L CA 2.100 57.174 54.840 0.390 0.000 0.749 102 L CB -0.586 41.612 42.059 0.231 0.000 0.890 102 L HN 0.489 nan 8.230 nan 0.000 0.431 103 K N 0.312 120.925 120.400 0.355 0.000 2.000 103 K HA -0.271 4.049 4.320 -0.000 0.000 0.218 103 K C 1.796 178.605 176.600 0.349 0.000 1.053 103 K CA 2.338 58.921 56.287 0.494 0.000 0.946 103 K CB -0.227 32.635 32.500 0.604 0.000 0.723 103 K HN 0.320 nan 8.250 nan 0.000 0.446 104 D N 0.345 120.874 120.400 0.216 0.000 2.106 104 D HA -0.207 4.433 4.640 -0.000 0.000 0.191 104 D C 1.916 178.221 176.300 0.007 0.000 0.997 104 D CA 1.328 55.389 54.000 0.101 0.000 0.834 104 D CB -0.158 40.675 40.800 0.055 0.000 0.956 104 D HN 0.308 nan 8.370 nan 0.000 0.448 105 K N 0.481 120.871 120.400 -0.018 0.000 2.152 105 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 105 K C 2.088 178.368 176.600 -0.534 0.000 1.048 105 K CA 1.406 57.535 56.287 -0.262 0.000 0.933 105 K CB -0.191 32.244 32.500 -0.108 0.000 0.721 105 K HN 0.122 nan 8.250 nan 0.000 0.447 106 G N 0.363 109.019 108.800 -0.241 0.000 2.394 106 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.215 106 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.215 106 G C 1.014 175.851 174.900 -0.104 0.000 1.165 106 G CA 0.728 45.632 45.100 -0.326 0.000 0.784 106 G HN 0.394 nan 8.290 nan 0.000 0.535 107 N N 0.016 118.775 118.700 0.099 0.000 2.192 107 N HA -0.192 4.548 4.740 -0.000 0.000 0.188 107 N C 2.174 177.757 175.510 0.121 0.000 1.013 107 N CA 1.150 54.296 53.050 0.161 0.000 0.863 107 N CB -0.089 38.463 38.487 0.109 0.000 0.990 107 N HN 0.454 nan 8.380 nan 0.000 0.430 108 Q N 0.456 120.244 119.800 -0.020 0.000 2.062 108 Q HA -0.010 4.330 4.340 -0.000 0.000 0.196 108 Q C 1.506 177.535 176.000 0.050 0.000 0.967 108 Q CA 0.806 56.589 55.803 -0.035 0.000 0.832 108 Q CB -0.028 28.605 28.738 -0.175 0.000 0.899 108 Q HN 0.396 nan 8.270 nan 0.000 0.442 109 F N -0.393 119.482 119.950 -0.125 0.000 2.449 109 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 109 F C 1.633 177.352 175.800 -0.136 0.000 1.092 109 F CA 0.010 57.897 58.000 -0.188 0.000 1.446 109 F CB 0.147 38.956 39.000 -0.318 0.000 1.084 109 F HN 0.256 nan 8.300 nan 0.000 0.567 110 F N 0.504 120.462 119.950 0.014 0.000 2.343 110 F HA 0.098 4.625 4.527 -0.000 0.000 0.286 110 F C 2.435 178.186 175.800 -0.081 0.000 1.057 110 F CA 0.697 58.700 58.000 0.006 0.000 1.365 110 F CB -0.552 38.561 39.000 0.189 0.000 1.114 110 F HN -0.335 nan 8.300 nan 0.000 0.545 111 R N 0.482 121.176 120.500 0.324 0.000 2.103 111 R HA -0.209 4.131 4.340 -0.000 0.000 0.242 111 R C 0.623 176.922 176.300 -0.003 0.000 1.142 111 R CA 2.019 58.235 56.100 0.194 0.000 0.960 111 R CB -0.537 29.841 30.300 0.129 0.000 0.858 111 R HN 0.221 nan 8.270 nan 0.000 0.439 112 N N 0.501 119.159 118.700 -0.069 0.000 2.389 112 N HA 0.030 4.770 4.740 -0.000 0.000 0.237 112 N C -0.576 174.755 175.510 -0.299 0.000 1.148 112 N CA 0.142 53.114 53.050 -0.129 0.000 0.854 112 N CB 0.538 38.986 38.487 -0.064 0.000 1.115 112 N HN 0.098 nan 8.380 nan 0.000 0.492 113 K N -1.022 119.037 120.400 -0.567 0.000 3.445 113 K HA -0.263 4.057 4.320 -0.000 0.000 0.316 113 K C -0.362 175.603 176.600 -1.059 0.000 1.278 113 K CA 1.012 56.639 56.287 -1.100 0.000 0.976 113 K CB -1.313 30.880 32.500 -0.513 0.000 1.238 113 K HN 0.352 nan 8.250 nan 0.000 0.430 114 K N 0.948 120.980 120.400 -0.613 0.000 3.233 114 K HA 0.057 4.377 4.320 -0.000 0.000 0.283 114 K C 0.469 176.842 176.600 -0.377 0.000 1.209 114 K CA -0.005 56.036 56.287 -0.410 0.000 1.197 114 K CB -0.373 31.943 32.500 -0.306 0.000 1.431 114 K HN 0.266 nan 8.250 nan 0.000 0.326 115 Y N 0.988 121.139 120.300 -0.248 0.000 2.069 115 Y HA -0.347 4.203 4.550 -0.000 0.000 0.278 115 Y C 1.628 177.393 175.900 -0.225 0.000 1.175 115 Y CA 1.395 59.336 58.100 -0.266 0.000 1.134 115 Y CB -0.372 37.890 38.460 -0.330 0.000 0.965 115 Y HN 0.381 nan 8.280 nan 0.000 0.498 116 D N 0.023 120.379 120.400 -0.073 0.000 2.191 116 D HA -0.209 4.431 4.640 -0.000 0.000 0.195 116 D C 1.332 177.522 176.300 -0.183 0.000 1.003 116 D CA 1.960 55.876 54.000 -0.140 0.000 0.867 116 D CB -0.520 40.200 40.800 -0.134 0.000 0.926 116 D HN 0.482 nan 8.370 nan 0.000 0.450 117 D N 0.437 120.687 120.400 -0.251 0.000 2.077 117 D HA -0.075 4.565 4.640 -0.000 0.000 0.197 117 D C 2.138 178.333 176.300 -0.175 0.000 0.983 117 D CA 1.646 55.429 54.000 -0.362 0.000 0.841 117 D CB -0.639 39.662 40.800 -0.832 0.000 0.992 117 D HN 0.183 nan 8.370 nan 0.000 0.450 118 A N 0.989 123.749 122.820 -0.100 0.000 1.909 118 A HA -0.302 4.018 4.320 -0.000 0.000 0.221 118 A C 2.293 179.644 177.584 -0.388 0.000 1.223 118 A CA 1.946 53.852 52.037 -0.219 0.000 0.658 118 A CB -1.282 17.670 19.000 -0.080 0.000 0.831 118 A HN 0.299 nan 8.150 nan 0.000 0.462 119 I N -0.614 119.869 120.570 -0.146 0.000 2.121 119 I HA -0.427 3.743 4.170 -0.000 0.000 0.243 119 I C 2.542 178.604 176.117 -0.092 0.000 1.047 119 I CA 2.099 63.388 61.300 -0.018 0.000 1.308 119 I CB -0.518 37.423 38.000 -0.099 0.000 1.015 119 I HN 0.311 nan 8.210 nan 0.000 0.410 120 K N 0.314 120.585 120.400 -0.214 0.000 1.978 120 K HA -0.216 4.104 4.320 -0.000 0.000 0.214 120 K C 2.088 178.452 176.600 -0.393 0.000 1.049 120 K CA 1.904 57.899 56.287 -0.487 0.000 0.939 120 K CB -1.003 31.156 32.500 -0.570 0.000 0.721 120 K HN 0.285 nan 8.250 nan 0.000 0.441 121 Y N 0.370 120.490 120.300 -0.300 0.000 2.283 121 Y HA -0.235 4.315 4.550 -0.000 0.000 0.285 121 Y C 2.247 178.095 175.900 -0.086 0.000 1.176 121 Y CA 1.230 59.261 58.100 -0.114 0.000 1.229 121 Y CB -0.726 37.676 38.460 -0.097 0.000 0.975 121 Y HN 0.251 nan 8.280 nan 0.000 0.537 122 Y N -1.139 119.166 120.300 0.009 0.000 2.269 122 Y HA -0.165 4.385 4.550 -0.000 0.000 0.294 122 Y C 2.269 178.035 175.900 -0.223 0.000 1.120 122 Y CA 0.210 58.233 58.100 -0.128 0.000 1.159 122 Y CB -0.183 38.290 38.460 0.022 0.000 1.024 122 Y HN 0.059 nan 8.280 nan 0.000 0.532 123 N N -0.365 118.325 118.700 -0.016 0.000 2.166 123 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 123 N C 1.312 176.818 175.510 -0.006 0.000 1.019 123 N CA 1.296 54.303 53.050 -0.072 0.000 0.856 123 N CB -0.313 38.065 38.487 -0.182 0.000 0.993 123 N HN 0.425 nan 8.380 nan 0.000 0.426 124 W N 1.025 122.261 121.300 -0.106 0.000 2.576 124 W HA 0.293 4.953 4.660 -0.000 0.000 0.270 124 W C 2.298 178.693 176.519 -0.207 0.000 1.255 124 W CA -0.170 57.084 57.345 -0.152 0.000 1.314 124 W CB -0.975 28.367 29.460 -0.196 0.000 1.101 124 W HN -0.004 nan 8.180 nan 0.000 0.595 125 A N 0.183 122.941 122.820 -0.102 0.000 2.067 125 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 125 A C 2.015 179.348 177.584 -0.418 0.000 1.158 125 A CA 0.987 52.804 52.037 -0.366 0.000 0.661 125 A CB -0.816 17.692 19.000 -0.820 0.000 0.801 125 A HN 0.222 nan 8.150 nan 0.000 0.452 126 L N -0.490 120.547 121.223 -0.310 0.000 2.291 126 L HA -0.099 4.241 4.340 -0.000 0.000 0.214 126 L C 2.201 179.086 176.870 0.025 0.000 1.120 126 L CA 0.597 55.375 54.840 -0.102 0.000 0.799 126 L CB -0.304 41.689 42.059 -0.110 0.000 0.925 126 L HN 0.315 nan 8.230 nan 0.000 0.446 127 E N 0.244 120.463 120.200 0.032 0.000 2.152 127 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 127 E C 2.272 178.898 176.600 0.044 0.000 0.983 127 E CA 0.997 57.426 56.400 0.050 0.000 0.818 127 E CB -0.065 29.659 29.700 0.039 0.000 0.758 127 E HN 0.498 nan 8.360 nan 0.000 0.467 128 L N -0.170 121.081 121.223 0.046 0.000 2.034 128 L HA 0.037 4.377 4.340 -0.000 0.000 0.203 128 L C 1.456 178.393 176.870 0.112 0.000 1.074 128 L CA 0.870 55.753 54.840 0.071 0.000 0.748 128 L CB -0.031 42.079 42.059 0.086 0.000 0.905 128 L HN -0.091 nan 8.230 nan 0.000 0.439 129 K N 0.312 120.821 120.400 0.182 0.000 2.468 129 K HA 0.152 4.472 4.320 -0.000 0.000 0.252 129 K C -0.872 175.891 176.600 0.272 0.000 0.932 129 K CA -0.473 55.940 56.287 0.209 0.000 0.794 129 K CB 1.999 34.629 32.500 0.217 0.000 1.241 129 K HN -0.109 nan 8.250 nan 0.000 0.428 130 E N 3.823 124.133 120.200 0.183 0.000 1.979 130 E HA -0.005 4.345 4.350 -0.000 0.000 0.285 130 E C -0.941 175.746 176.600 0.145 0.000 1.188 130 E CA -0.279 56.232 56.400 0.184 0.000 1.214 130 E CB 0.193 30.002 29.700 0.183 0.000 1.210 130 E HN 0.389 nan 8.360 nan 0.000 0.477 131 D N 2.987 123.438 120.400 0.085 0.000 2.264 131 D HA 0.089 4.729 4.640 -0.000 0.000 0.250 131 D C -1.713 174.524 176.300 -0.105 0.000 1.113 131 D CA -2.311 51.596 54.000 -0.155 0.000 0.871 131 D CB 1.803 42.260 40.800 -0.572 0.000 1.167 131 D HN 0.175 nan 8.370 nan 0.000 0.447 132 P HA -0.190 nan 4.420 nan 0.000 0.216 132 P C 1.617 179.026 177.300 0.182 0.000 1.157 132 P CA 0.805 64.041 63.100 0.228 0.000 0.880 132 P CB 0.266 32.075 31.700 0.182 0.000 0.791 133 V N -1.610 118.297 119.914 -0.010 0.000 2.439 133 V HA -0.269 3.851 4.120 -0.000 0.000 0.253 133 V C 2.090 178.123 176.094 -0.101 0.000 1.074 133 V CA 1.763 64.034 62.300 -0.048 0.000 1.076 133 V CB -1.443 30.257 31.823 -0.204 0.000 0.664 133 V HN -0.004 nan 8.190 nan 0.000 0.461 134 F N -0.906 118.967 119.950 -0.128 0.000 2.186 134 F HA -0.059 4.468 4.527 -0.000 0.000 0.299 134 F C 2.235 177.870 175.800 -0.274 0.000 1.090 134 F CA 0.839 58.668 58.000 -0.285 0.000 1.307 134 F CB -1.145 37.689 39.000 -0.277 0.000 1.019 134 F HN 0.177 nan 8.300 nan 0.000 0.489 135 Y N -0.913 119.468 120.300 0.136 0.000 2.220 135 Y HA -0.211 4.339 4.550 -0.000 0.000 0.291 135 Y C 2.856 178.749 175.900 -0.011 0.000 1.129 135 Y CA 1.295 59.437 58.100 0.069 0.000 1.161 135 Y CB -0.735 37.764 38.460 0.065 0.000 0.997 135 Y HN 0.014 nan 8.280 nan 0.000 0.522 136 S N 0.494 116.259 115.700 0.107 0.000 2.359 136 S HA -0.261 4.209 4.470 -0.000 0.000 0.224 136 S C 1.630 176.190 174.600 -0.067 0.000 1.035 136 S CA 2.113 60.270 58.200 -0.071 0.000 1.018 136 S CB -0.632 62.488 63.200 -0.133 0.000 0.876 136 S HN 0.561 nan 8.310 nan 0.000 0.448 137 N N 0.355 118.972 118.700 -0.138 0.000 2.244 137 N HA 0.009 4.749 4.740 -0.000 0.000 0.183 137 N C 1.767 177.236 175.510 -0.069 0.000 1.016 137 N CA 1.180 54.063 53.050 -0.279 0.000 0.866 137 N CB -0.182 37.837 38.487 -0.780 0.000 0.980 137 N HN 0.371 nan 8.380 nan 0.000 0.430 138 L N 0.681 121.928 121.223 0.040 0.000 1.973 138 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 138 L C 2.726 179.843 176.870 0.410 0.000 1.073 138 L CA 1.270 56.314 54.840 0.339 0.000 0.746 138 L CB -0.794 41.478 42.059 0.355 0.000 0.891 138 L HN 0.266 nan 8.230 nan 0.000 0.433 139 S N 0.353 116.193 115.700 0.232 0.000 2.392 139 S HA -0.285 4.185 4.470 -0.000 0.000 0.232 139 S C 2.118 176.819 174.600 0.169 0.000 1.041 139 S CA 1.169 59.460 58.200 0.153 0.000 1.026 139 S CB -0.758 62.458 63.200 0.026 0.000 0.845 139 S HN 0.401 nan 8.310 nan 0.000 0.465 140 A N 1.546 124.454 122.820 0.147 0.000 1.883 140 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 140 A C 2.754 180.510 177.584 0.287 0.000 1.186 140 A CA 1.865 54.002 52.037 0.165 0.000 0.624 140 A CB -1.754 17.303 19.000 0.094 0.000 0.822 140 A HN 1.114 nan 8.150 nan 0.000 0.444 141 C N -2.962 116.599 119.300 0.436 0.000 2.466 141 C HA -0.006 4.454 4.460 -0.000 0.000 0.278 141 C C 2.413 177.347 174.990 -0.094 0.000 1.288 141 C CA 0.861 60.041 59.018 0.270 0.000 1.722 141 C CB -1.889 26.121 27.740 0.450 0.000 2.017 141 C HN 0.566 nan 8.230 nan 0.000 0.488 142 Y N 1.810 122.115 120.300 0.008 0.000 2.384 142 Y HA -0.114 4.436 4.550 -0.000 0.000 0.289 142 Y C 2.711 178.535 175.900 -0.127 0.000 1.152 142 Y CA 1.772 59.837 58.100 -0.058 0.000 1.258 142 Y CB -0.380 38.068 38.460 -0.020 0.000 0.979 142 Y HN 0.250 nan 8.280 nan 0.000 0.549 143 V N -1.482 118.440 119.914 0.014 0.000 2.270 143 V HA -0.271 3.848 4.120 -0.000 0.000 0.245 143 V C 2.162 178.145 176.094 -0.185 0.000 1.043 143 V CA 2.080 64.339 62.300 -0.068 0.000 1.014 143 V CB -0.894 30.905 31.823 -0.041 0.000 0.645 143 V HN 0.283 nan 8.190 nan 0.000 0.447 144 S N -0.040 115.455 115.700 -0.341 0.000 2.419 144 S HA -0.149 4.321 4.470 -0.000 0.000 0.235 144 S C 1.847 176.158 174.600 -0.483 0.000 1.019 144 S CA 1.407 59.265 58.200 -0.570 0.000 0.982 144 S CB -0.167 62.215 63.200 -1.362 0.000 0.789 144 S HN 0.396 nan 8.310 nan 0.000 0.490 145 V N -0.013 119.665 119.914 -0.393 0.000 2.878 145 V HA 0.210 4.329 4.120 -0.000 0.000 0.250 145 V C 1.860 177.880 176.094 -0.124 0.000 1.075 145 V CA 1.014 63.179 62.300 -0.226 0.000 1.096 145 V CB -0.642 31.058 31.823 -0.205 0.000 0.724 145 V HN 0.599 nan 8.190 nan 0.000 0.467 146 G N 0.421 109.148 108.800 -0.121 0.000 2.176 146 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.232 146 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.232 146 G C 0.089 174.909 174.900 -0.134 0.000 0.986 146 G CA 0.161 45.194 45.100 -0.112 0.000 0.643 146 G HN 0.475 nan 8.290 nan 0.000 0.522 147 D N 1.112 121.485 120.400 -0.044 0.000 2.402 147 D HA 0.372 5.011 4.640 -0.000 0.000 0.235 147 D C 1.855 178.097 176.300 -0.096 0.000 1.226 147 D CA -0.288 53.699 54.000 -0.022 0.000 0.918 147 D CB 0.128 41.059 40.800 0.219 0.000 1.043 147 D HN 0.300 nan 8.370 nan 0.000 0.506 148 L N 3.180 124.253 121.223 -0.249 0.000 2.095 148 L HA -0.075 4.265 4.340 -0.000 0.000 0.204 148 L C 2.348 179.111 176.870 -0.179 0.000 1.080 148 L CA 0.584 55.284 54.840 -0.233 0.000 0.759 148 L CB -0.174 41.675 42.059 -0.350 0.000 0.914 148 L HN 0.233 nan 8.230 nan 0.000 0.439 149 K N -0.012 120.282 120.400 -0.177 0.000 2.211 149 K HA -0.152 4.168 4.320 -0.000 0.000 0.204 149 K C 2.094 178.599 176.600 -0.158 0.000 1.047 149 K CA 0.852 57.061 56.287 -0.131 0.000 0.935 149 K CB -0.017 32.428 32.500 -0.092 0.000 0.728 149 K HN 0.140 nan 8.250 nan 0.000 0.452 150 K N 0.818 121.090 120.400 -0.214 0.000 2.098 150 K HA -0.006 4.314 4.320 -0.000 0.000 0.203 150 K C 2.160 178.548 176.600 -0.354 0.000 1.051 150 K CA 0.623 56.674 56.287 -0.393 0.000 0.957 150 K CB -0.241 31.806 32.500 -0.755 0.000 0.738 150 K HN -0.066 nan 8.250 nan 0.000 0.447 151 V N 1.398 121.179 119.914 -0.220 0.000 2.324 151 V HA -0.216 3.904 4.120 -0.000 0.000 0.250 151 V C 2.398 178.425 176.094 -0.112 0.000 1.060 151 V CA 1.495 63.725 62.300 -0.116 0.000 1.042 151 V CB -0.378 31.409 31.823 -0.060 0.000 0.650 151 V HN -0.010 nan 8.190 nan 0.000 0.450 152 V N -0.460 119.384 119.914 -0.116 0.000 2.809 152 V HA -0.188 3.932 4.120 -0.000 0.000 0.256 152 V C 2.297 178.327 176.094 -0.106 0.000 1.080 152 V CA 1.892 64.137 62.300 -0.093 0.000 1.102 152 V CB -0.339 31.436 31.823 -0.080 0.000 0.705 152 V HN 0.647 nan 8.190 nan 0.000 0.475 153 E N -0.134 119.983 120.200 -0.138 0.000 2.024 153 E HA -0.141 4.209 4.350 -0.000 0.000 0.190 153 E C 2.345 178.854 176.600 -0.153 0.000 0.974 153 E CA 0.883 57.199 56.400 -0.141 0.000 0.810 153 E CB -0.040 29.569 29.700 -0.152 0.000 0.775 153 E HN 0.294 nan 8.360 nan 0.000 0.453 154 M N 0.854 120.364 119.600 -0.149 0.000 2.106 154 M HA -0.155 4.324 4.480 -0.000 0.000 0.259 154 M C 2.472 178.715 176.300 -0.095 0.000 1.068 154 M CA 1.201 56.455 55.300 -0.078 0.000 1.100 154 M CB -1.289 31.319 32.600 0.013 0.000 1.351 154 M HN 0.045 nan 8.290 nan 0.000 0.404 155 S N 0.028 115.673 115.700 -0.092 0.000 2.368 155 S HA -0.122 4.348 4.470 -0.000 0.000 0.225 155 S C 1.955 176.492 174.600 -0.106 0.000 1.030 155 S CA 1.849 59.992 58.200 -0.096 0.000 0.999 155 S CB -0.163 62.987 63.200 -0.083 0.000 0.844 155 S HN 0.538 nan 8.310 nan 0.000 0.459 156 T N 2.006 116.491 114.554 -0.114 0.000 2.674 156 T HA -0.070 4.280 4.350 -0.000 0.000 0.265 156 T C 1.803 176.406 174.700 -0.161 0.000 1.039 156 T CA 1.170 63.206 62.100 -0.107 0.000 1.150 156 T CB -0.252 68.556 68.868 -0.101 0.000 0.864 156 T HN 0.389 nan 8.240 nan 0.000 0.427 157 K N 1.079 121.309 120.400 -0.283 0.000 2.074 157 K HA -0.120 4.200 4.320 -0.000 0.000 0.209 157 K C 2.627 178.961 176.600 -0.443 0.000 1.048 157 K CA 1.334 57.323 56.287 -0.496 0.000 0.926 157 K CB -0.368 31.542 32.500 -0.983 0.000 0.713 157 K HN 0.309 nan 8.250 nan 0.000 0.444 158 A N 1.503 124.147 122.820 -0.294 0.000 1.835 158 A HA -0.175 4.145 4.320 -0.000 0.000 0.215 158 A C 2.172 179.811 177.584 0.091 0.000 1.199 158 A CA 1.390 53.447 52.037 0.032 0.000 0.615 158 A CB -0.850 18.196 19.000 0.077 0.000 0.838 158 A HN 0.186 nan 8.150 nan 0.000 0.444 159 L N -0.491 120.759 121.223 0.045 0.000 2.043 159 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 159 L C 2.572 179.468 176.870 0.044 0.000 1.075 159 L CA 1.775 56.663 54.840 0.080 0.000 0.752 159 L CB -0.638 41.444 42.059 0.039 0.000 0.891 159 L HN 0.505 nan 8.230 nan 0.000 0.432 160 E N -0.223 119.971 120.200 -0.009 0.000 2.273 160 E HA -0.225 4.125 4.350 -0.000 0.000 0.198 160 E C 1.921 178.526 176.600 0.008 0.000 1.002 160 E CA 1.012 57.403 56.400 -0.015 0.000 0.828 160 E CB -0.043 29.623 29.700 -0.058 0.000 0.747 160 E HN 0.567 nan 8.360 nan 0.000 0.491 161 L N -0.631 120.612 121.223 0.033 0.000 2.638 161 L HA 0.194 4.534 4.340 -0.000 0.000 0.232 161 L C 0.940 177.836 176.870 0.042 0.000 1.099 161 L CA 0.083 54.955 54.840 0.052 0.000 0.883 161 L CB 0.482 42.601 42.059 0.100 0.000 1.136 161 L HN -0.157 nan 8.230 nan 0.000 0.492 162 K N 0.432 120.867 120.400 0.057 0.000 2.834 162 K HA 0.230 4.550 4.320 -0.000 0.000 0.259 162 K C -2.434 174.200 176.600 0.056 0.000 1.158 162 K CA -1.141 55.159 56.287 0.021 0.000 1.068 162 K CB 1.737 34.213 32.500 -0.041 0.000 1.324 162 K HN -0.283 nan 8.250 nan 0.000 0.552 163 P HA -0.202 nan 4.420 nan 0.000 0.214 163 P C -0.318 177.001 177.300 0.032 0.000 1.163 163 P CA 1.330 64.451 63.100 0.033 0.000 0.889 163 P CB -0.003 31.703 31.700 0.010 0.000 0.790 164 D N -0.658 119.734 120.400 -0.015 0.000 2.540 164 D HA -0.099 4.541 4.640 -0.000 0.000 0.237 164 D C -0.689 175.599 176.300 -0.021 0.000 1.181 164 D CA 0.036 54.010 54.000 -0.044 0.000 1.119 164 D CB -1.196 39.554 40.800 -0.083 0.000 1.119 164 D HN 0.184 nan 8.370 nan 0.000 0.498 165 Y N 1.012 121.260 120.300 -0.086 0.000 2.516 165 Y HA 0.153 4.703 4.550 -0.000 0.000 0.329 165 Y C 1.003 176.845 175.900 -0.096 0.000 1.095 165 Y CA -1.464 56.589 58.100 -0.078 0.000 1.213 165 Y CB 0.486 38.921 38.460 -0.042 0.000 1.109 165 Y HN 0.127 nan 8.280 nan 0.000 0.630 166 S N 1.022 116.735 115.700 0.022 0.000 2.359 166 S HA -0.261 4.209 4.470 -0.000 0.000 0.222 166 S C 2.097 176.700 174.600 0.005 0.000 1.038 166 S CA 1.850 59.959 58.200 -0.151 0.000 1.051 166 S CB -0.086 62.700 63.200 -0.689 0.000 0.944 166 S HN 0.675 nan 8.310 nan 0.000 0.433 167 K N 0.866 121.318 120.400 0.086 0.000 2.189 167 K HA -0.197 4.123 4.320 -0.000 0.000 0.207 167 K C 1.719 178.279 176.600 -0.066 0.000 1.046 167 K CA 1.691 58.030 56.287 0.086 0.000 0.928 167 K CB -0.201 32.367 32.500 0.114 0.000 0.720 167 K HN 0.272 nan 8.250 nan 0.000 0.458 168 V N 0.651 120.429 119.914 -0.227 0.000 2.492 168 V HA -0.151 3.969 4.120 -0.000 0.000 0.241 168 V C 2.144 178.168 176.094 -0.117 0.000 1.041 168 V CA 0.993 63.114 62.300 -0.297 0.000 1.057 168 V CB -0.352 31.104 31.823 -0.612 0.000 0.711 168 V HN 0.298 nan 8.190 nan 0.000 0.468 169 L N 0.139 121.326 121.223 -0.060 0.000 2.042 169 L HA -0.170 4.169 4.340 -0.000 0.000 0.210 169 L C 2.187 179.074 176.870 0.029 0.000 1.076 169 L CA 1.912 56.750 54.840 -0.002 0.000 0.749 169 L CB -0.604 41.460 42.059 0.008 0.000 0.893 169 L HN 0.248 nan 8.230 nan 0.000 0.432 170 L N -0.790 120.466 121.223 0.055 0.000 2.131 170 L HA -0.210 4.129 4.340 -0.000 0.000 0.210 170 L C 2.790 179.697 176.870 0.062 0.000 1.092 170 L CA 1.315 56.214 54.840 0.098 0.000 0.759 170 L CB -0.278 41.894 42.059 0.189 0.000 0.903 170 L HN 0.357 nan 8.230 nan 0.000 0.435 171 R N -0.223 120.293 120.500 0.026 0.000 2.090 171 R HA -0.197 4.143 4.340 -0.000 0.000 0.228 171 R C 2.441 178.742 176.300 0.002 0.000 1.110 171 R CA 1.356 57.459 56.100 0.005 0.000 0.973 171 R CB -0.145 30.138 30.300 -0.027 0.000 0.869 171 R HN 0.261 nan 8.270 nan 0.000 0.440 172 R N -0.079 120.420 120.500 -0.001 0.000 2.115 172 R HA -0.031 4.309 4.340 -0.000 0.000 0.226 172 R C 2.018 178.340 176.300 0.037 0.000 1.100 172 R CA 1.211 57.314 56.100 0.004 0.000 0.980 172 R CB -0.165 30.136 30.300 0.002 0.000 0.875 172 R HN 0.283 nan 8.270 nan 0.000 0.445 173 A N -0.256 122.599 122.820 0.058 0.000 1.933 173 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 173 A C 2.121 179.755 177.584 0.084 0.000 1.175 173 A CA 1.907 53.995 52.037 0.085 0.000 0.628 173 A CB -0.632 18.422 19.000 0.091 0.000 0.814 173 A HN 0.421 nan 8.150 nan 0.000 0.444 174 S N -0.808 114.930 115.700 0.063 0.000 2.377 174 S HA 0.109 4.579 4.470 -0.000 0.000 0.223 174 S C 2.180 176.807 174.600 0.046 0.000 1.030 174 S CA 1.225 59.461 58.200 0.061 0.000 0.970 174 S CB -0.422 62.802 63.200 0.040 0.000 0.830 174 S HN 0.763 nan 8.310 nan 0.000 0.473 175 A N 2.117 124.947 122.820 0.016 0.000 1.933 175 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 175 A C 2.059 179.646 177.584 0.004 0.000 1.175 175 A CA 1.650 53.677 52.037 -0.016 0.000 0.628 175 A CB -0.851 18.125 19.000 -0.040 0.000 0.814 175 A HN 0.578 nan 8.150 nan 0.000 0.444 176 N N -0.373 118.348 118.700 0.034 0.000 2.120 176 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 176 N C 1.757 177.330 175.510 0.105 0.000 1.024 176 N CA 1.505 54.586 53.050 0.052 0.000 0.852 176 N CB -0.333 38.196 38.487 0.070 0.000 1.003 176 N HN 0.740 nan 8.380 nan 0.000 0.424 177 E N -0.012 120.282 120.200 0.158 0.000 2.110 177 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 177 E C 1.846 178.595 176.600 0.250 0.000 0.988 177 E CA 1.096 57.658 56.400 0.270 0.000 0.804 177 E CB -0.193 29.640 29.700 0.222 0.000 0.745 177 E HN 0.373 nan 8.360 nan 0.000 0.458 178 G N 0.982 109.871 108.800 0.148 0.000 2.418 178 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 178 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 178 G C 1.443 176.459 174.900 0.193 0.000 1.158 178 G CA 0.454 45.642 45.100 0.147 0.000 0.771 178 G HN 0.221 nan 8.290 nan 0.000 0.545 179 L N 0.771 122.055 121.223 0.102 0.000 2.622 179 L HA 0.189 4.529 4.340 -0.000 0.000 0.233 179 L C 2.124 179.020 176.870 0.042 0.000 1.156 179 L CA 0.431 55.337 54.840 0.110 0.000 0.866 179 L CB -0.217 41.854 42.059 0.020 0.000 0.980 179 L HN 0.417 nan 8.230 nan 0.000 0.448 180 G N 0.383 109.194 108.800 0.018 0.000 2.162 180 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.260 180 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.260 180 G C 0.375 174.869 174.900 -0.676 0.000 0.976 180 G CA -0.022 44.890 45.100 -0.313 0.000 0.655 180 G HN 0.446 nan 8.290 nan 0.000 0.533 181 K N 0.801 121.060 120.400 -0.236 0.000 2.278 181 K HA 0.419 4.739 4.320 -0.000 0.000 0.237 181 K C 1.206 177.826 176.600 0.035 0.000 1.229 181 K CA -0.565 55.630 56.287 -0.155 0.000 1.155 181 K CB -0.370 32.099 32.500 -0.052 0.000 1.590 181 K HN 0.429 nan 8.250 nan 0.000 0.290 182 F N 0.783 120.769 119.950 0.059 0.000 2.095 182 F HA -0.312 4.215 4.527 -0.000 0.000 0.298 182 F C 2.571 178.411 175.800 0.067 0.000 1.104 182 F CA 0.510 58.549 58.000 0.065 0.000 1.232 182 F CB -0.219 38.820 39.000 0.064 0.000 0.987 182 F HN 0.468 nan 8.300 nan 0.000 0.475 183 A N 0.707 123.662 122.820 0.225 0.000 1.873 183 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 183 A C 1.744 179.424 177.584 0.160 0.000 1.193 183 A CA 2.389 54.520 52.037 0.157 0.000 0.629 183 A CB -0.916 18.137 19.000 0.087 0.000 0.826 183 A HN 0.306 nan 8.150 nan 0.000 0.447 184 D N -0.138 120.332 120.400 0.115 0.000 2.178 184 D HA 0.034 4.674 4.640 -0.000 0.000 0.202 184 D C 2.146 178.566 176.300 0.199 0.000 0.974 184 D CA 1.316 55.387 54.000 0.119 0.000 0.841 184 D CB -0.469 40.349 40.800 0.031 0.000 0.953 184 D HN 0.450 nan 8.370 nan 0.000 0.478 185 A N 0.604 123.536 122.820 0.187 0.000 1.908 185 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 185 A C 2.188 179.873 177.584 0.169 0.000 1.181 185 A CA 1.369 53.516 52.037 0.183 0.000 0.627 185 A CB -0.504 18.630 19.000 0.223 0.000 0.818 185 A HN 0.172 nan 8.150 nan 0.000 0.445 186 M N -2.370 117.335 119.600 0.176 0.000 2.288 186 M HA 0.047 4.527 4.480 -0.000 0.000 0.266 186 M C 2.079 178.460 176.300 0.135 0.000 1.072 186 M CA 1.085 56.465 55.300 0.132 0.000 1.132 186 M CB -0.326 32.345 32.600 0.118 0.000 1.386 186 M HN 0.534 nan 8.290 nan 0.000 0.432 187 F N 2.077 122.055 119.950 0.048 0.000 2.075 187 F HA -0.246 4.281 4.527 -0.000 0.000 0.297 187 F C 1.971 177.790 175.800 0.031 0.000 1.113 187 F CA 1.859 59.879 58.000 0.034 0.000 1.218 187 F CB -0.322 38.695 39.000 0.028 0.000 0.984 187 F HN 0.109 nan 8.300 nan 0.000 0.472 188 D N 0.737 121.299 120.400 0.269 0.000 2.123 188 D HA -0.195 4.445 4.640 -0.000 0.000 0.196 188 D C 2.453 178.756 176.300 0.006 0.000 0.992 188 D CA 1.751 55.832 54.000 0.134 0.000 0.833 188 D CB -0.506 40.398 40.800 0.175 0.000 0.954 188 D HN 0.360 nan 8.370 nan 0.000 0.455 189 L N 0.650 121.894 121.223 0.036 0.000 2.056 189 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 189 L C 2.615 179.471 176.870 -0.023 0.000 1.078 189 L CA 0.766 55.623 54.840 0.029 0.000 0.749 189 L CB -0.305 41.786 42.059 0.055 0.000 0.901 189 L HN -0.076 nan 8.230 nan 0.000 0.433 190 S N -0.453 115.204 115.700 -0.073 0.000 2.368 190 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 190 S C 2.017 176.515 174.600 -0.171 0.000 1.030 190 S CA 1.157 59.290 58.200 -0.112 0.000 0.999 190 S CB -0.193 62.927 63.200 -0.133 0.000 0.844 190 S HN 0.160 nan 8.310 nan 0.000 0.459 191 V N 1.630 121.367 119.914 -0.294 0.000 2.490 191 V HA -0.103 4.017 4.120 -0.000 0.000 0.250 191 V C 2.182 178.192 176.094 -0.141 0.000 1.061 191 V CA 1.209 63.339 62.300 -0.283 0.000 1.064 191 V CB -0.569 31.018 31.823 -0.394 0.000 0.670 191 V HN 0.326 nan 8.190 nan 0.000 0.461 192 L N 1.147 122.314 121.223 -0.092 0.000 2.072 192 L HA -0.094 4.246 4.340 -0.000 0.000 0.205 192 L C 2.719 179.583 176.870 -0.009 0.000 1.079 192 L CA 2.288 57.104 54.840 -0.040 0.000 0.752 192 L CB -0.752 41.320 42.059 0.022 0.000 0.906 192 L HN 0.510 nan 8.230 nan 0.000 0.436 193 S N -1.479 114.221 115.700 -0.000 0.000 2.440 193 S HA -0.152 4.318 4.470 -0.000 0.000 0.238 193 S C 1.773 176.373 174.600 -0.001 0.000 1.010 193 S CA 1.294 59.506 58.200 0.020 0.000 0.972 193 S CB -0.606 62.599 63.200 0.008 0.000 0.774 193 S HN 0.461 nan 8.310 nan 0.000 0.501 194 L N 1.715 122.918 121.223 -0.033 0.000 2.228 194 L HA 0.055 4.395 4.340 -0.000 0.000 0.196 194 L C 2.486 179.333 176.870 -0.038 0.000 1.162 194 L CA 0.756 55.574 54.840 -0.036 0.000 0.801 194 L CB -1.236 40.789 42.059 -0.055 0.000 0.983 194 L HN 0.337 nan 8.230 nan 0.000 0.471 195 N N 1.287 119.953 118.700 -0.057 0.000 1.996 195 N HA -0.195 4.545 4.740 -0.000 0.000 0.177 195 N C 0.990 176.458 175.510 -0.071 0.000 1.000 195 N CA 1.388 54.400 53.050 -0.064 0.000 0.905 195 N CB -1.725 36.716 38.487 -0.077 0.000 1.020 195 N HN 0.257 nan 8.380 nan 0.000 0.754 196 G N -1.624 107.104 108.800 -0.120 0.000 2.720 196 G HA2 0.022 3.982 3.960 -0.000 0.000 0.237 196 G HA3 0.022 3.982 3.960 -0.000 0.000 0.237 196 G C -0.399 174.463 174.900 -0.063 0.000 1.239 196 G CA -0.023 44.982 45.100 -0.159 0.000 0.847 196 G HN 0.536 nan 8.290 nan 0.000 0.593 197 D N 0.705 121.101 120.400 -0.006 0.000 2.690 197 D HA 0.146 4.786 4.640 -0.000 0.000 0.236 197 D C 1.291 177.720 176.300 0.214 0.000 1.218 197 D CA -0.052 53.994 54.000 0.078 0.000 0.829 197 D CB -0.131 40.705 40.800 0.060 0.000 1.009 197 D HN 0.400 nan 8.370 nan 0.000 0.482 198 F N 1.584 121.537 119.950 0.005 0.000 2.009 198 F HA -0.248 4.279 4.527 -0.000 0.000 0.293 198 F C 1.561 177.365 175.800 0.006 0.000 1.156 198 F CA 0.707 58.712 58.000 0.009 0.000 1.168 198 F CB -0.093 38.913 39.000 0.011 0.000 0.981 198 F HN 0.120 nan 8.300 nan 0.000 0.475 199 N N 0.228 119.064 118.700 0.226 0.000 1.165 199 N HA -0.348 4.392 4.740 -0.000 0.000 0.104 199 N C -0.691 174.850 175.510 0.052 0.000 0.736 199 N CA 1.138 54.250 53.050 0.104 0.000 0.825 199 N CB -1.348 37.182 38.487 0.072 0.000 1.022 199 N HN 0.473 nan 8.380 nan 0.000 0.678 200 D N -3.001 117.418 120.400 0.032 0.000 10.890 200 D HA -0.103 4.537 4.640 -0.000 0.000 0.359 200 D C 0.399 176.701 176.300 0.003 0.000 3.118 200 D CA 1.234 55.241 54.000 0.010 0.000 2.613 200 D CB -0.853 39.944 40.800 -0.004 0.000 1.178 200 D HN 1.193 nan 8.370 nan 0.000 0.941 201 A N 0.494 123.314 122.820 -0.000 0.000 2.292 201 A HA -0.061 4.259 4.320 -0.000 0.000 0.205 201 A C 1.883 179.465 177.584 -0.003 0.000 1.243 201 A CA 2.062 54.100 52.037 0.002 0.000 0.783 201 A CB -0.591 18.411 19.000 0.003 0.000 0.760 201 A HN 0.541 nan 8.150 nan 0.000 0.498 202 S N -0.677 115.012 115.700 -0.018 0.000 2.404 202 S HA 0.074 4.544 4.470 -0.000 0.000 0.223 202 S C 1.755 176.348 174.600 -0.011 0.000 1.040 202 S CA 0.892 59.071 58.200 -0.034 0.000 0.957 202 S CB -0.403 62.738 63.200 -0.098 0.000 0.826 202 S HN 0.573 nan 8.310 nan 0.000 0.491 203 I N 1.284 121.858 120.570 0.007 0.000 3.462 203 I HA 0.035 4.205 4.170 -0.000 0.000 0.290 203 I C 1.843 177.982 176.117 0.037 0.000 1.236 203 I CA 0.374 61.696 61.300 0.036 0.000 1.418 203 I CB 0.003 38.044 38.000 0.069 0.000 1.102 203 I HN 0.118 nan 8.210 nan 0.000 0.441 204 E N 2.433 122.649 120.200 0.028 0.000 2.049 204 E HA -0.214 4.136 4.350 -0.000 0.000 0.198 204 E C -0.629 175.988 176.600 0.029 0.000 1.007 204 E CA 1.745 58.158 56.400 0.023 0.000 0.809 204 E CB -2.334 27.375 29.700 0.016 0.000 0.749 204 E HN 0.482 nan 8.360 nan 0.000 0.450 205 P HA -0.133 nan 4.420 nan 0.000 0.216 205 P C 1.773 179.115 177.300 0.069 0.000 1.150 205 P CA 1.440 64.575 63.100 0.057 0.000 0.837 205 P CB -0.200 31.537 31.700 0.063 0.000 0.786 206 M N -1.013 118.624 119.600 0.060 0.000 2.080 206 M HA -0.131 4.348 4.480 -0.000 0.000 0.260 206 M C 2.491 178.824 176.300 0.055 0.000 1.068 206 M CA 1.751 57.090 55.300 0.065 0.000 1.109 206 M CB -0.976 31.663 32.600 0.065 0.000 1.342 206 M HN -0.126 nan 8.290 nan 0.000 0.405 207 L N 0.078 121.327 121.223 0.043 0.000 2.017 207 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 207 L C 2.459 179.335 176.870 0.011 0.000 1.073 207 L CA 1.513 56.371 54.840 0.031 0.000 0.745 207 L CB -0.731 41.342 42.059 0.023 0.000 0.894 207 L HN 0.333 nan 8.230 nan 0.000 0.432 208 E N -0.227 119.978 120.200 0.008 0.000 2.070 208 E HA -0.316 4.034 4.350 -0.000 0.000 0.197 208 E C 2.261 178.848 176.600 -0.022 0.000 1.004 208 E CA 1.441 57.824 56.400 -0.027 0.000 0.805 208 E CB -0.297 29.388 29.700 -0.025 0.000 0.744 208 E HN 0.367 nan 8.360 nan 0.000 0.451 209 R N 0.879 121.426 120.500 0.079 0.000 2.083 209 R HA -0.143 4.197 4.340 -0.000 0.000 0.237 209 R C 2.159 178.437 176.300 -0.036 0.000 1.137 209 R CA 1.551 57.739 56.100 0.147 0.000 0.951 209 R CB -0.053 30.344 30.300 0.162 0.000 0.851 209 R HN 0.162 nan 8.270 nan 0.000 0.434 210 N N 0.858 119.517 118.700 -0.068 0.000 2.058 210 N HA -0.197 4.543 4.740 -0.000 0.000 0.191 210 N C 1.869 177.284 175.510 -0.159 0.000 1.037 210 N CA 1.343 54.292 53.050 -0.168 0.000 0.848 210 N CB -0.368 38.115 38.487 -0.006 0.000 1.021 210 N HN 0.167 nan 8.380 nan 0.000 0.422 211 L N 2.090 123.277 121.223 -0.060 0.000 2.043 211 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 211 L C 1.882 178.704 176.870 -0.080 0.000 1.075 211 L CA 1.830 56.646 54.840 -0.039 0.000 0.752 211 L CB -1.156 40.881 42.059 -0.037 0.000 0.891 211 L HN 0.172 nan 8.230 nan 0.000 0.432 212 N N -0.519 118.104 118.700 -0.129 0.000 2.013 212 N HA -0.254 4.486 4.740 -0.000 0.000 0.195 212 N C 1.868 177.304 175.510 -0.123 0.000 1.051 212 N CA 2.124 55.081 53.050 -0.154 0.000 0.851 212 N CB -0.164 38.195 38.487 -0.214 0.000 1.044 212 N HN 0.352 nan 8.380 nan 0.000 0.422 213 K N -0.405 119.857 120.400 -0.230 0.000 2.113 213 K HA -0.253 4.067 4.320 -0.000 0.000 0.208 213 K C 2.100 178.659 176.600 -0.068 0.000 1.047 213 K CA 1.427 57.515 56.287 -0.331 0.000 0.928 213 K CB -0.213 31.636 32.500 -1.086 0.000 0.716 213 K HN 0.306 nan 8.250 nan 0.000 0.446 214 Q N 0.981 120.767 119.800 -0.023 0.000 2.050 214 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 214 Q C 1.881 177.978 176.000 0.162 0.000 0.980 214 Q CA 2.063 58.044 55.803 0.298 0.000 0.840 214 Q CB -0.350 28.523 28.738 0.225 0.000 0.898 214 Q HN 0.276 nan 8.270 nan 0.000 0.424 215 A N 0.150 123.009 122.820 0.065 0.000 1.858 215 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 215 A C 2.122 179.735 177.584 0.049 0.000 1.190 215 A CA 2.033 54.093 52.037 0.039 0.000 0.617 215 A CB -0.793 18.203 19.000 -0.007 0.000 0.827 215 A HN 0.537 nan 8.150 nan 0.000 0.443 216 M N 0.078 119.705 119.600 0.044 0.000 2.149 216 M HA -0.101 4.379 4.480 -0.000 0.000 0.261 216 M C 2.252 178.609 176.300 0.094 0.000 1.064 216 M CA 2.140 57.475 55.300 0.057 0.000 1.102 216 M CB -0.721 31.913 32.600 0.056 0.000 1.369 216 M HN 0.416 nan 8.290 nan 0.000 0.408 217 S N -0.349 115.439 115.700 0.147 0.000 2.345 217 S HA -0.133 4.337 4.470 -0.000 0.000 0.220 217 S C 2.047 176.711 174.600 0.105 0.000 1.031 217 S CA 1.202 59.498 58.200 0.161 0.000 0.996 217 S CB -0.190 63.161 63.200 0.251 0.000 0.882 217 S HN 0.438 nan 8.310 nan 0.000 0.445 218 K N 1.352 121.811 120.400 0.098 0.000 2.063 218 K HA -0.032 4.288 4.320 -0.000 0.000 0.208 218 K C 2.132 178.762 176.600 0.050 0.000 1.048 218 K CA 0.965 57.292 56.287 0.066 0.000 0.928 218 K CB -1.069 31.467 32.500 0.060 0.000 0.713 218 K HN 0.439 nan 8.250 nan 0.000 0.442 219 L N 1.408 122.660 121.223 0.048 0.000 2.079 219 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 219 L C 1.914 178.807 176.870 0.038 0.000 1.081 219 L CA 1.646 56.508 54.840 0.036 0.000 0.752 219 L CB -0.159 41.918 42.059 0.030 0.000 0.896 219 L HN 0.185 nan 8.230 nan 0.000 0.433 220 K N -0.260 120.170 120.400 0.050 0.000 2.442 220 K HA -0.132 4.188 4.320 -0.000 0.000 0.198 220 K C 1.552 178.177 176.600 0.043 0.000 1.042 220 K CA 0.847 57.164 56.287 0.049 0.000 0.958 220 K CB 0.056 32.593 32.500 0.061 0.000 0.766 220 K HN 0.543 nan 8.250 nan 0.000 0.474 221 E N 1.468 121.692 120.200 0.040 0.000 2.435 221 E HA -0.050 4.300 4.350 -0.000 0.000 0.195 221 E C -0.179 176.437 176.600 0.027 0.000 1.029 221 E CA 0.022 56.442 56.400 0.033 0.000 0.865 221 E CB -0.094 29.624 29.700 0.031 0.000 0.833 221 E HN 0.276 nan 8.360 nan 0.000 0.510 251 L N 2.420 123.678 121.223 0.059 0.000 2.640 251 L HA 0.052 4.392 4.340 -0.000 0.000 0.300 251 L C -1.266 175.614 176.870 0.016 0.000 1.259 251 L CA 0.221 55.091 54.840 0.050 0.000 0.879 251 L CB -0.618 41.511 42.059 0.116 0.000 1.125 251 L HN 0.466 nan 8.230 nan 0.000 0.507 252 P HA 0.136 nan 4.420 nan 0.000 0.286 252 P C -0.637 176.655 177.300 -0.014 0.000 1.293 252 P CA -0.661 62.421 63.100 -0.029 0.000 0.770 252 P CB 0.374 32.033 31.700 -0.069 0.000 1.206 253 S N -1.049 114.649 115.700 -0.003 0.000 2.554 253 S HA -0.022 4.448 4.470 -0.000 0.000 0.290 253 S C 1.469 176.070 174.600 0.001 0.000 1.309 253 S CA -0.418 57.791 58.200 0.016 0.000 1.047 253 S CB -0.550 62.668 63.200 0.029 0.000 0.828 253 S HN 0.245 nan 8.310 nan 0.000 0.509 254 V N 2.083 122.022 119.914 0.040 0.000 2.548 254 V HA -0.110 4.010 4.120 -0.000 0.000 0.249 254 V C 2.889 179.002 176.094 0.032 0.000 1.055 254 V CA 2.074 64.408 62.300 0.057 0.000 1.065 254 V CB -1.459 30.462 31.823 0.163 0.000 0.681 254 V HN 1.100 nan 8.190 nan 0.000 0.462 255 T N 0.172 114.763 114.554 0.062 0.000 2.962 255 T HA -0.145 4.205 4.350 -0.000 0.000 0.270 255 T C 2.041 176.781 174.700 0.067 0.000 1.088 255 T CA 1.900 64.050 62.100 0.083 0.000 1.127 255 T CB -0.206 68.716 68.868 0.091 0.000 0.883 255 T HN 0.741 nan 8.240 nan 0.000 0.493 256 S N 1.085 116.797 115.700 0.020 0.000 2.371 256 S HA 0.012 4.482 4.470 -0.000 0.000 0.221 256 S C 2.219 176.794 174.600 -0.042 0.000 1.036 256 S CA 0.637 58.847 58.200 0.016 0.000 0.965 256 S CB -0.466 62.725 63.200 -0.015 0.000 0.845 256 S HN 0.385 nan 8.310 nan 0.000 0.475 257 M N 2.510 121.997 119.600 -0.189 0.000 2.088 257 M HA -0.139 4.341 4.480 -0.000 0.000 0.256 257 M C 2.743 178.943 176.300 -0.168 0.000 1.071 257 M CA 2.060 57.151 55.300 -0.349 0.000 1.097 257 M CB -1.881 30.192 32.600 -0.878 0.000 1.315 257 M HN 0.556 nan 8.290 nan 0.000 0.406 258 A N 0.977 123.698 122.820 -0.165 0.000 1.917 258 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 258 A C 2.384 180.098 177.584 0.217 0.000 1.182 258 A CA 2.881 55.020 52.037 0.170 0.000 0.633 258 A CB -1.041 18.088 19.000 0.216 0.000 0.819 258 A HN 0.686 nan 8.150 nan 0.000 0.448 259 S N -1.849 113.965 115.700 0.191 0.000 2.453 259 S HA -0.051 4.419 4.470 -0.000 0.000 0.231 259 S C 1.717 176.370 174.600 0.089 0.000 1.005 259 S CA 1.087 59.440 58.200 0.255 0.000 0.949 259 S CB -0.585 62.802 63.200 0.313 0.000 0.774 259 S HN 0.574 nan 8.310 nan 0.000 0.510 260 F N 1.316 121.200 119.950 -0.109 0.000 2.179 260 F HA 0.268 4.795 4.527 -0.000 0.000 0.292 260 F C 1.266 176.966 175.800 -0.167 0.000 1.089 260 F CA 0.741 58.593 58.000 -0.248 0.000 1.295 260 F CB 0.003 38.707 39.000 -0.494 0.000 1.041 260 F HN 0.149 nan 8.300 nan 0.000 0.487 261 F N 0.492 120.464 119.950 0.036 0.000 2.797 261 F HA 0.248 4.775 4.527 0.000 0.000 0.302 261 F C 2.332 178.268 175.800 0.226 0.000 1.130 261 F CA 0.571 58.630 58.000 0.099 0.000 1.387 261 F CB -0.906 38.177 39.000 0.138 0.000 1.107 261 F HN 0.041 nan 8.300 nan 0.000 0.577 262 G N -0.143 108.762 108.800 0.175 0.000 2.679 262 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.212 262 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.212 262 G C 1.373 176.214 174.900 -0.097 0.000 1.137 262 G CA 0.464 45.653 45.100 0.148 0.000 0.787 262 G HN 0.290 nan 8.290 nan 0.000 0.534 263 I N -0.292 120.029 120.570 -0.415 0.000 3.603 263 I HA 0.287 4.457 4.170 -0.000 0.000 0.297 263 I C -0.012 175.813 176.117 -0.487 0.000 1.269 263 I CA -0.458 60.421 61.300 -0.701 0.000 1.361 263 I CB -0.176 37.102 38.000 -1.204 0.000 1.063 263 I HN -0.086 nan 8.210 nan 0.000 0.448 264 F N 1.246 121.164 119.950 -0.053 0.000 2.399 264 F HA 0.393 4.920 4.527 -0.000 0.000 0.328 264 F C 0.908 176.738 175.800 0.050 0.000 1.084 264 F CA -1.379 56.645 58.000 0.041 0.000 1.053 264 F CB 0.511 39.614 39.000 0.171 0.000 1.209 264 F HN -0.143 nan 8.300 nan 0.000 0.502 265 K N 1.683 122.188 120.400 0.175 0.000 2.339 265 K HA 0.431 4.750 4.320 -0.000 0.000 0.286 265 K C -2.902 173.620 176.600 -0.130 0.000 1.050 265 K CA -1.562 54.741 56.287 0.027 0.000 0.956 265 K CB 0.454 32.962 32.500 0.013 0.000 0.990 265 K HN 0.199 nan 8.250 nan 0.000 0.475 266 P HA 0.011 nan 4.420 nan 0.000 0.271 266 P C -0.880 175.978 177.300 -0.736 0.000 1.233 266 P CA -0.006 62.319 63.100 -1.292 0.000 0.764 266 P CB 0.664 31.792 31.700 -0.954 0.000 0.825 267 E N 2.295 122.138 120.200 -0.595 0.000 2.349 267 E HA 0.314 4.664 4.350 -0.000 0.000 0.262 267 E C 0.468 177.059 176.600 -0.015 0.000 1.088 267 E CA -0.295 56.063 56.400 -0.069 0.000 0.899 267 E CB 0.729 30.543 29.700 0.191 0.000 1.044 267 E HN 0.426 nan 8.360 nan 0.000 0.420 268 L N 0.713 121.948 121.223 0.020 0.000 4.368 268 L HA 0.004 4.344 4.340 -0.000 0.000 0.430 268 L C 1.117 177.956 176.870 -0.051 0.000 1.098 268 L CA 0.085 54.925 54.840 0.001 0.000 1.557 268 L CB 0.569 42.594 42.059 -0.056 0.000 1.638 268 L HN 0.524 nan 8.230 nan 0.000 0.622 269 T N 0.186 114.734 114.554 -0.010 0.000 3.523 269 T HA 0.192 4.542 4.350 -0.000 0.000 0.216 269 T C 0.247 174.880 174.700 -0.111 0.000 0.922 269 T CA 0.887 62.928 62.100 -0.099 0.000 1.558 269 T CB -0.026 68.814 68.868 -0.047 0.000 1.424 269 T HN 0.220 nan 8.240 nan 0.000 0.452 270 F N 0.686 120.658 119.950 0.037 0.000 2.099 270 F HA 0.079 4.606 4.527 0.001 0.000 0.440 270 F C -0.330 175.539 175.800 0.115 0.000 1.200 270 F CA -0.675 57.372 58.000 0.078 0.000 1.429 270 F CB -1.806 37.260 39.000 0.109 0.000 2.257 270 F HN 0.536 nan 8.300 nan 0.000 0.732 271 A N 4.473 127.435 122.820 0.238 0.000 2.567 271 A HA 0.186 4.505 4.320 -0.000 0.000 0.236 271 A C 1.300 178.987 177.584 0.172 0.000 1.088 271 A CA 0.475 52.603 52.037 0.151 0.000 0.776 271 A CB -0.174 18.923 19.000 0.161 0.000 1.033 271 A HN 1.623 nan 8.150 nan 0.000 0.513 272 N N -1.178 117.579 118.700 0.094 0.000 2.701 272 N HA -0.238 4.502 4.740 -0.000 0.000 0.250 272 N C -0.176 175.374 175.510 0.066 0.000 1.046 272 N CA 1.531 54.628 53.050 0.078 0.000 0.733 272 N CB -1.588 36.961 38.487 0.102 0.000 0.973 272 N HN 0.803 nan 8.380 nan 0.000 0.541 273 Y N 2.564 122.736 120.300 -0.213 0.000 2.969 273 Y HA -0.182 4.368 4.550 -0.001 0.000 0.339 273 Y C 1.350 177.195 175.900 -0.090 0.000 1.272 273 Y CA 0.685 58.502 58.100 -0.471 0.000 1.577 273 Y CB 0.453 38.520 38.460 -0.654 0.000 1.234 273 Y HN 0.492 nan 8.280 nan 0.000 0.590 274 D N 3.110 123.229 120.400 -0.469 0.000 4.068 274 D HA -0.313 4.326 4.640 -0.000 0.000 0.276 274 D C -0.773 175.360 176.300 -0.279 0.000 2.262 274 D CA 1.895 55.647 54.000 -0.413 0.000 1.014 274 D CB -0.096 40.173 40.800 -0.885 0.000 1.000 274 D HN 0.867 nan 8.370 nan 0.000 1.152 275 E N -2.859 117.224 120.200 -0.194 0.000 2.094 275 E HA 0.279 4.629 4.350 -0.000 0.000 0.237 275 E C -0.469 176.080 176.600 -0.086 0.000 1.460 275 E CA -0.064 56.268 56.400 -0.114 0.000 0.965 275 E CB 0.145 29.820 29.700 -0.041 0.000 1.641 275 E HN 0.484 nan 8.360 nan 0.000 0.532 276 S N 0.233 115.906 115.700 -0.045 0.000 2.942 276 S HA 0.099 4.569 4.470 -0.000 0.000 0.244 276 S C 0.187 174.780 174.600 -0.011 0.000 1.011 276 S CA -0.067 58.116 58.200 -0.029 0.000 1.102 276 S CB -0.773 62.415 63.200 -0.019 0.000 0.812 276 S HN 0.355 nan 8.310 nan 0.000 0.486 277 N N 2.461 121.161 118.700 -0.001 0.000 2.444 277 N HA 0.118 4.858 4.740 -0.000 0.000 0.271 277 N C 1.029 176.552 175.510 0.021 0.000 1.069 277 N CA -0.508 52.560 53.050 0.030 0.000 0.965 277 N CB 1.046 39.584 38.487 0.087 0.000 1.092 277 N HN 0.522 nan 8.380 nan 0.000 0.476 278 E N 2.902 123.100 120.200 -0.004 0.000 2.110 278 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 278 E C 1.309 177.856 176.600 -0.088 0.000 0.988 278 E CA 1.183 57.562 56.400 -0.035 0.000 0.804 278 E CB -0.192 29.481 29.700 -0.045 0.000 0.745 278 E HN 0.569 nan 8.360 nan 0.000 0.458 279 A N 2.227 124.962 122.820 -0.141 0.000 1.855 279 A HA -0.209 4.110 4.320 -0.000 0.000 0.215 279 A C 1.998 179.361 177.584 -0.369 0.000 1.191 279 A CA 1.680 53.458 52.037 -0.431 0.000 0.613 279 A CB -0.574 18.029 19.000 -0.663 0.000 0.829 279 A HN 0.194 nan 8.150 nan 0.000 0.442 280 D N -0.418 120.013 120.400 0.051 0.000 2.221 280 D HA -0.126 4.514 4.640 -0.000 0.000 0.204 280 D C 1.845 178.345 176.300 0.334 0.000 0.982 280 D CA 1.218 55.446 54.000 0.379 0.000 0.857 280 D CB -0.046 40.996 40.800 0.405 0.000 0.934 280 D HN 0.530 nan 8.370 nan 0.000 0.475 281 K N 0.419 120.906 120.400 0.146 0.000 2.076 281 K HA -0.043 4.277 4.320 -0.000 0.000 0.204 281 K C 2.004 178.628 176.600 0.041 0.000 1.051 281 K CA 0.432 56.805 56.287 0.142 0.000 0.949 281 K CB 0.192 32.729 32.500 0.062 0.000 0.726 281 K HN -0.029 nan 8.250 nan 0.000 0.443 282 E N 1.526 121.684 120.200 -0.070 0.000 2.085 282 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 282 E C 2.062 178.548 176.600 -0.190 0.000 0.994 282 E CA 0.812 57.120 56.400 -0.153 0.000 0.801 282 E CB -0.290 29.285 29.700 -0.208 0.000 0.743 282 E HN 0.266 nan 8.360 nan 0.000 0.453 283 L N 0.187 121.322 121.223 -0.145 0.000 1.990 283 L HA -0.228 4.112 4.340 -0.000 0.000 0.213 283 L C 2.489 179.303 176.870 -0.093 0.000 1.072 283 L CA 1.212 55.974 54.840 -0.131 0.000 0.755 283 L CB -0.164 41.813 42.059 -0.137 0.000 0.889 283 L HN 0.183 nan 8.230 nan 0.000 0.432 284 M N -0.422 119.259 119.600 0.136 0.000 2.108 284 M HA -0.249 4.231 4.480 -0.000 0.000 0.261 284 M C 2.010 178.263 176.300 -0.078 0.000 1.066 284 M CA 1.888 57.269 55.300 0.135 0.000 1.107 284 M CB -1.531 31.188 32.600 0.199 0.000 1.356 284 M HN 0.377 nan 8.290 nan 0.000 0.406 285 N N 0.158 118.783 118.700 -0.125 0.000 2.025 285 N HA -0.125 4.615 4.740 -0.000 0.000 0.194 285 N C 1.714 177.011 175.510 -0.355 0.000 1.044 285 N CA 2.438 55.371 53.050 -0.196 0.000 0.851 285 N CB -0.700 37.680 38.487 -0.179 0.000 1.036 285 N HN 0.325 nan 8.380 nan 0.000 0.422 286 G N 0.705 109.147 108.800 -0.597 0.000 2.421 286 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 286 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 286 G C 1.597 175.832 174.900 -1.108 0.000 1.171 286 G CA 0.766 45.213 45.100 -1.088 0.000 0.775 286 G HN 0.398 nan 8.290 nan 0.000 0.543 287 L N 0.632 121.345 121.223 -0.850 0.000 2.187 287 L HA -0.068 4.272 4.340 -0.000 0.000 0.213 287 L C 2.887 179.715 176.870 -0.070 0.000 1.100 287 L CA 1.665 56.361 54.840 -0.240 0.000 0.765 287 L CB -0.102 41.966 42.059 0.015 0.000 0.904 287 L HN 0.360 nan 8.230 nan 0.000 0.437 288 S N -0.418 115.192 115.700 -0.149 0.000 2.371 288 S HA -0.107 4.363 4.470 -0.000 0.000 0.221 288 S C 1.714 176.243 174.600 -0.118 0.000 1.036 288 S CA 0.880 59.038 58.200 -0.070 0.000 0.965 288 S CB -0.188 62.956 63.200 -0.093 0.000 0.845 288 S HN 0.543 nan 8.310 nan 0.000 0.475 289 N N 1.734 120.297 118.700 -0.228 0.000 2.453 289 N HA -0.005 4.735 4.740 -0.000 0.000 0.183 289 N C 1.714 177.029 175.510 -0.325 0.000 1.041 289 N CA 0.478 53.374 53.050 -0.257 0.000 0.900 289 N CB -0.382 37.944 38.487 -0.268 0.000 0.961 289 N HN 0.433 nan 8.380 nan 0.000 0.443 290 L N 0.098 121.119 121.223 -0.336 0.000 1.943 290 L HA -0.188 4.152 4.340 -0.000 0.000 0.215 290 L C 0.891 177.427 176.870 -0.557 0.000 1.074 290 L CA 1.495 56.074 54.840 -0.435 0.000 0.759 290 L CB -0.298 41.419 42.059 -0.569 0.000 0.888 290 L HN 0.001 nan 8.230 nan 0.000 0.433 291 Y N -0.084 120.141 120.300 -0.125 0.000 2.555 291 Y HA -0.029 4.521 4.550 -0.000 0.000 0.447 291 Y C 1.276 177.078 175.900 -0.164 0.000 1.389 291 Y CA 0.171 58.221 58.100 -0.084 0.000 2.017 291 Y CB -0.204 38.244 38.460 -0.020 0.000 1.787 291 Y HN 0.249 nan 8.280 nan 0.000 0.655 292 K N -0.538 119.907 120.400 0.075 0.000 3.230 292 K HA -0.316 4.004 4.320 -0.000 0.000 0.285 292 K C 0.238 176.779 176.600 -0.100 0.000 1.196 292 K CA 0.765 57.039 56.287 -0.021 0.000 0.838 292 K CB -1.242 31.232 32.500 -0.044 0.000 1.262 292 K HN 0.714 nan 8.250 nan 0.000 0.492 293 R N -0.180 120.245 120.500 -0.125 0.000 3.420 293 R HA -0.343 3.996 4.340 -0.000 0.000 0.609 293 R C 0.371 176.569 176.300 -0.171 0.000 0.241 293 R CA 2.509 58.531 56.100 -0.130 0.000 1.874 293 R CB -2.629 27.622 30.300 -0.082 0.000 0.810 293 R HN 1.583 nan 8.270 nan 0.000 0.638 294 S N -0.418 115.259 115.700 -0.039 0.000 3.441 294 S HA -0.123 4.347 4.470 -0.000 0.000 0.856 294 S C -2.585 172.007 174.600 -0.015 0.000 1.189 294 S CA 0.069 58.258 58.200 -0.018 0.000 0.923 294 S CB -0.861 62.313 63.200 -0.042 0.000 0.627 294 S HN 0.450 nan 8.310 nan 0.000 0.276 295 P HA 0.392 nan 4.420 nan 0.000 0.271 295 P C 1.118 178.442 177.300 0.040 0.000 1.233 295 P CA 0.791 63.936 63.100 0.076 0.000 0.789 295 P CB 0.403 32.144 31.700 0.069 0.000 0.951 296 E N 0.153 120.399 120.200 0.078 0.000 4.145 296 E HA -0.324 4.026 4.350 -0.000 0.000 0.296 296 E C 1.409 178.012 176.600 0.005 0.000 0.666 296 E CA 2.135 58.565 56.400 0.051 0.000 1.214 296 E CB -2.184 27.529 29.700 0.020 0.000 1.679 296 E HN 0.228 nan 8.360 nan 0.000 0.406 297 S N -1.764 113.892 115.700 -0.073 0.000 2.383 297 S HA -0.171 4.299 4.470 -0.000 0.000 0.229 297 S C 1.559 176.031 174.600 -0.213 0.000 1.030 297 S CA 1.568 59.648 58.200 -0.200 0.000 1.002 297 S CB -0.356 62.644 63.200 -0.334 0.000 0.829 297 S HN 0.504 nan 8.310 nan 0.000 0.467 298 Y N 1.615 121.950 120.300 0.059 0.000 2.220 298 Y HA 0.008 4.558 4.550 0.000 0.000 0.291 298 Y C 2.267 178.276 175.900 0.182 0.000 1.129 298 Y CA 1.276 59.469 58.100 0.155 0.000 1.161 298 Y CB -0.761 37.824 38.460 0.209 0.000 0.997 298 Y HN 0.305 nan 8.280 nan 0.000 0.522 299 D N -0.411 120.145 120.400 0.260 0.000 2.144 299 D HA -0.145 4.495 4.640 -0.000 0.000 0.199 299 D C 2.114 178.433 176.300 0.032 0.000 0.984 299 D CA 0.995 55.093 54.000 0.163 0.000 0.834 299 D CB -0.018 40.851 40.800 0.116 0.000 0.955 299 D HN -0.017 nan 8.370 nan 0.000 0.465 300 K N 0.742 121.130 120.400 -0.020 0.000 2.002 300 K HA -0.023 4.297 4.320 -0.000 0.000 0.209 300 K C 2.038 178.520 176.600 -0.197 0.000 1.048 300 K CA 1.143 57.369 56.287 -0.102 0.000 0.930 300 K CB -0.457 31.975 32.500 -0.113 0.000 0.714 300 K HN 0.115 nan 8.250 nan 0.000 0.438 301 A N 1.414 124.094 122.820 -0.233 0.000 1.908 301 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 301 A C 1.969 179.269 177.584 -0.474 0.000 1.181 301 A CA 2.332 54.109 52.037 -0.433 0.000 0.627 301 A CB -0.758 18.065 19.000 -0.295 0.000 0.818 301 A HN 0.513 nan 8.150 nan 0.000 0.445 302 D N -0.661 119.465 120.400 -0.458 0.000 2.088 302 D HA -0.234 4.406 4.640 -0.000 0.000 0.191 302 D C 1.993 178.132 176.300 -0.268 0.000 0.992 302 D CA 1.796 55.429 54.000 -0.611 0.000 0.831 302 D CB -0.287 40.309 40.800 -0.339 0.000 0.973 302 D HN 0.592 nan 8.370 nan 0.000 0.447 303 E N -0.378 119.719 120.200 -0.172 0.000 2.070 303 E HA -0.225 4.125 4.350 -0.000 0.000 0.197 303 E C 2.010 178.526 176.600 -0.140 0.000 1.004 303 E CA 1.866 58.195 56.400 -0.118 0.000 0.805 303 E CB -0.143 29.503 29.700 -0.089 0.000 0.744 303 E HN 0.420 nan 8.360 nan 0.000 0.451 304 S N -0.305 115.268 115.700 -0.212 0.000 2.383 304 S HA -0.132 4.338 4.470 -0.000 0.000 0.227 304 S C 1.911 176.374 174.600 -0.229 0.000 1.026 304 S CA 0.870 58.921 58.200 -0.248 0.000 0.981 304 S CB -0.788 62.209 63.200 -0.338 0.000 0.818 304 S HN 0.332 nan 8.310 nan 0.000 0.472 305 F N 2.896 122.693 119.950 -0.255 0.000 2.102 305 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 305 F C 3.308 179.001 175.800 -0.178 0.000 1.105 305 F CA 1.414 59.268 58.000 -0.243 0.000 1.239 305 F CB -0.796 38.017 39.000 -0.311 0.000 0.991 305 F HN 0.388 nan 8.300 nan 0.000 0.474 306 T N -1.416 113.161 114.554 0.038 0.000 2.720 306 T HA -0.285 4.065 4.350 -0.000 0.000 0.268 306 T C 1.896 176.577 174.700 -0.032 0.000 1.037 306 T CA 1.623 63.721 62.100 -0.003 0.000 1.144 306 T CB -0.530 68.326 68.868 -0.021 0.000 0.864 306 T HN 0.231 nan 8.240 nan 0.000 0.444 307 K N 1.415 121.775 120.400 -0.067 0.000 2.026 307 K HA 0.069 4.389 4.320 -0.000 0.000 0.208 307 K C 2.669 179.181 176.600 -0.146 0.000 1.048 307 K CA 1.141 57.371 56.287 -0.096 0.000 0.929 307 K CB -0.696 31.738 32.500 -0.110 0.000 0.713 307 K HN 0.419 nan 8.250 nan 0.000 0.439 308 A N 0.914 123.625 122.820 -0.182 0.000 2.024 308 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 308 A C 2.234 179.642 177.584 -0.294 0.000 1.164 308 A CA 1.932 53.759 52.037 -0.349 0.000 0.643 308 A CB -0.664 18.174 19.000 -0.269 0.000 0.806 308 A HN 0.513 nan 8.150 nan 0.000 0.451 309 A N -0.493 122.281 122.820 -0.078 0.000 1.897 309 A HA -0.064 4.256 4.320 -0.000 0.000 0.215 309 A C 2.231 179.820 177.584 0.009 0.000 1.181 309 A CA 1.185 53.235 52.037 0.022 0.000 0.620 309 A CB -0.411 18.612 19.000 0.039 0.000 0.821 309 A HN 0.513 nan 8.150 nan 0.000 0.443 310 R N -0.368 120.114 120.500 -0.031 0.000 2.083 310 R HA -0.118 4.222 4.340 -0.000 0.000 0.237 310 R C 2.090 178.377 176.300 -0.021 0.000 1.137 310 R CA 1.677 57.764 56.100 -0.021 0.000 0.951 310 R CB -0.628 29.651 30.300 -0.035 0.000 0.851 310 R HN 0.523 nan 8.270 nan 0.000 0.434 311 L N -0.536 120.636 121.223 -0.085 0.000 1.961 311 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 311 L C 2.430 179.326 176.870 0.043 0.000 1.072 311 L CA 1.605 56.397 54.840 -0.081 0.000 0.749 311 L CB -0.788 41.145 42.059 -0.210 0.000 0.889 311 L HN 0.167 nan 8.230 nan 0.000 0.432 312 F N 0.453 120.406 119.950 0.004 0.000 2.087 312 F HA -0.319 4.208 4.527 -0.001 0.000 0.299 312 F C 2.724 178.530 175.800 0.009 0.000 1.100 312 F CA 1.098 59.102 58.000 0.007 0.000 1.226 312 F CB -0.220 38.782 39.000 0.003 0.000 0.983 312 F HN 0.160 nan 8.300 nan 0.000 0.479 313 E N 0.710 121.035 120.200 0.208 0.000 2.171 313 E HA -0.230 4.120 4.350 -0.000 0.000 0.197 313 E C 1.748 178.398 176.600 0.085 0.000 0.997 313 E CA 1.683 58.152 56.400 0.116 0.000 0.810 313 E CB -0.153 29.593 29.700 0.077 0.000 0.738 313 E HN 0.468 nan 8.360 nan 0.000 0.467 314 E N -0.500 119.748 120.200 0.081 0.000 2.060 314 E HA -0.111 4.239 4.350 -0.000 0.000 0.189 314 E C 2.220 178.861 176.600 0.068 0.000 0.974 314 E CA 0.721 57.155 56.400 0.057 0.000 0.808 314 E CB -0.117 29.606 29.700 0.038 0.000 0.768 314 E HN 0.347 nan 8.360 nan 0.000 0.453 315 Q N 0.553 120.414 119.800 0.101 0.000 2.181 315 Q HA -0.170 4.169 4.340 -0.000 0.000 0.205 315 Q C 2.198 178.243 176.000 0.073 0.000 0.980 315 Q CA 0.758 56.621 55.803 0.100 0.000 0.862 315 Q CB -0.105 28.731 28.738 0.164 0.000 0.905 315 Q HN 0.146 nan 8.270 nan 0.000 0.429 316 L N 1.031 122.300 121.223 0.076 0.000 2.265 316 L HA -0.175 4.164 4.340 -0.000 0.000 0.215 316 L C 0.784 177.674 176.870 0.032 0.000 1.117 316 L CA 1.801 56.668 54.840 0.045 0.000 0.782 316 L CB -0.130 41.957 42.059 0.046 0.000 0.914 316 L HN 0.088 nan 8.230 nan 0.000 0.441 317 D N -1.375 119.046 120.400 0.035 0.000 2.347 317 D HA -0.101 4.539 4.640 -0.000 0.000 0.213 317 D C 1.953 178.266 176.300 0.022 0.000 0.985 317 D CA 0.368 54.383 54.000 0.025 0.000 0.879 317 D CB 0.041 40.855 40.800 0.025 0.000 0.919 317 D HN 0.111 nan 8.370 nan 0.000 0.526 318 K N 0.554 120.969 120.400 0.025 0.000 2.314 318 K HA 0.076 4.396 4.320 -0.000 0.000 0.198 318 K C -0.422 176.188 176.600 0.017 0.000 1.045 318 K CA 0.582 56.882 56.287 0.021 0.000 0.988 318 K CB 0.275 32.790 32.500 0.026 0.000 0.783 318 K HN 0.058 nan 8.250 nan 0.000 0.484 319 N N 0.977 119.687 118.700 0.017 0.000 2.711 319 N HA 0.138 4.878 4.740 -0.000 0.000 0.263 319 N C -0.589 174.925 175.510 0.006 0.000 1.667 319 N CA -0.261 52.795 53.050 0.010 0.000 0.785 319 N CB 0.827 39.318 38.487 0.008 0.000 1.231 319 N HN -0.021 nan 8.380 nan 0.000 0.503 320 N N 0.749 119.453 118.700 0.007 0.000 2.417 320 N HA -0.132 4.607 4.740 -0.000 0.000 0.187 320 N C 0.014 175.524 175.510 -0.000 0.000 1.027 320 N CA 1.041 54.095 53.050 0.006 0.000 0.891 320 N CB 0.203 38.694 38.487 0.006 0.000 0.956 320 N HN 0.417 nan 8.380 nan 0.000 0.442 321 E N 0.333 120.531 120.200 -0.004 0.000 3.388 321 E HA 0.107 4.457 4.350 -0.000 0.000 0.214 321 E C -1.003 175.589 176.600 -0.014 0.000 1.040 321 E CA -0.132 56.263 56.400 -0.010 0.000 1.327 321 E CB -0.000 29.695 29.700 -0.009 0.000 1.243 321 E HN 0.244 nan 8.360 nan 0.000 0.444 322 D N 0.583 120.973 120.400 -0.016 0.000 2.163 322 D HA 0.152 4.792 4.640 -0.000 0.000 0.248 322 D C 0.620 176.901 176.300 -0.031 0.000 1.035 322 D CA -0.183 53.804 54.000 -0.020 0.000 0.872 322 D CB 1.558 42.348 40.800 -0.017 0.000 1.183 322 D HN -0.018 nan 8.370 nan 0.000 0.445 323 E N 2.012 122.192 120.200 -0.033 0.000 2.057 323 E HA -0.089 4.261 4.350 -0.000 0.000 0.190 323 E C 1.780 178.366 176.600 -0.023 0.000 0.969 323 E CA 0.367 56.740 56.400 -0.045 0.000 0.812 323 E CB 0.211 29.880 29.700 -0.052 0.000 0.777 323 E HN 0.519 nan 8.360 nan 0.000 0.455 324 K N 1.329 121.722 120.400 -0.011 0.000 2.147 324 K HA -0.103 4.217 4.320 -0.000 0.000 0.205 324 K C 2.057 178.613 176.600 -0.073 0.000 1.049 324 K CA 1.080 57.367 56.287 0.001 0.000 0.936 324 K CB -0.183 32.326 32.500 0.015 0.000 0.722 324 K HN 0.082 nan 8.250 nan 0.000 0.446 325 L N 1.098 122.260 121.223 -0.102 0.000 2.072 325 L HA -0.075 4.265 4.340 -0.000 0.000 0.205 325 L C 2.497 179.242 176.870 -0.208 0.000 1.079 325 L CA 1.236 55.953 54.840 -0.204 0.000 0.752 325 L CB -0.268 41.727 42.059 -0.108 0.000 0.906 325 L HN 0.238 nan 8.230 nan 0.000 0.436 326 K N -0.004 120.345 120.400 -0.085 0.000 2.002 326 K HA -0.253 4.067 4.320 -0.000 0.000 0.209 326 K C 1.928 178.537 176.600 0.014 0.000 1.048 326 K CA 1.553 57.823 56.287 -0.029 0.000 0.930 326 K CB -0.215 32.283 32.500 -0.002 0.000 0.714 326 K HN 0.299 nan 8.250 nan 0.000 0.438 327 E N 1.639 121.897 120.200 0.096 0.000 2.070 327 E HA -0.238 4.112 4.350 -0.000 0.000 0.197 327 E C 1.830 178.428 176.600 -0.002 0.000 1.004 327 E CA 1.591 58.130 56.400 0.232 0.000 0.805 327 E CB 0.150 30.071 29.700 0.368 0.000 0.744 327 E HN 0.203 nan 8.360 nan 0.000 0.451 328 K N 0.445 120.732 120.400 -0.188 0.000 2.002 328 K HA -0.112 4.208 4.320 -0.000 0.000 0.209 328 K C 2.233 178.626 176.600 -0.346 0.000 1.048 328 K CA 1.110 57.132 56.287 -0.441 0.000 0.930 328 K CB -0.311 31.593 32.500 -0.993 0.000 0.714 328 K HN 0.232 nan 8.250 nan 0.000 0.438 329 L N 0.992 121.991 121.223 -0.372 0.000 2.362 329 L HA -0.065 4.275 4.340 -0.000 0.000 0.219 329 L C 2.008 178.919 176.870 0.069 0.000 1.134 329 L CA 1.309 56.180 54.840 0.052 0.000 0.807 329 L CB -0.807 41.286 42.059 0.057 0.000 0.927 329 L HN 0.126 nan 8.230 nan 0.000 0.447 330 A N 1.343 124.173 122.820 0.017 0.000 1.832 330 A HA -0.197 4.123 4.320 -0.000 0.000 0.214 330 A C 2.161 179.755 177.584 0.017 0.000 1.200 330 A CA 1.636 53.693 52.037 0.032 0.000 0.610 330 A CB -0.796 18.244 19.000 0.068 0.000 0.842 330 A HN 0.580 nan 8.150 nan 0.000 0.444 331 I N -2.246 118.329 120.570 0.008 0.000 2.423 331 I HA -0.156 4.014 4.170 -0.000 0.000 0.254 331 I C 2.247 178.453 176.117 0.147 0.000 1.151 331 I CA 2.035 63.369 61.300 0.056 0.000 1.421 331 I CB -0.403 37.628 38.000 0.051 0.000 1.079 331 I HN 0.293 nan 8.210 nan 0.000 0.431 332 S N 1.751 117.529 115.700 0.129 0.000 2.356 332 S HA -0.086 4.384 4.470 -0.000 0.000 0.223 332 S C 2.025 176.669 174.600 0.074 0.000 1.032 332 S CA 1.443 59.744 58.200 0.168 0.000 1.005 332 S CB -0.422 62.964 63.200 0.311 0.000 0.867 332 S HN 0.589 nan 8.310 nan 0.000 0.449 333 L N 1.221 122.479 121.223 0.058 0.000 2.179 333 L HA 0.070 4.410 4.340 -0.000 0.000 0.208 333 L C 2.781 179.623 176.870 -0.047 0.000 1.096 333 L CA 1.177 56.025 54.840 0.013 0.000 0.779 333 L CB -0.557 41.518 42.059 0.027 0.000 0.922 333 L HN 0.456 nan 8.230 nan 0.000 0.443 334 E N 0.204 120.366 120.200 -0.064 0.000 2.219 334 E HA -0.271 4.079 4.350 -0.000 0.000 0.198 334 E C 1.742 178.141 176.600 -0.334 0.000 0.998 334 E CA 1.662 57.967 56.400 -0.157 0.000 0.818 334 E CB 0.095 29.695 29.700 -0.168 0.000 0.741 334 E HN 0.622 nan 8.360 nan 0.000 0.477 335 H N -1.162 117.705 119.070 -0.338 0.000 2.486 335 H HA 0.014 4.570 4.556 -0.000 0.000 0.287 335 H C 2.309 177.435 175.328 -0.337 0.000 1.010 335 H CA 1.688 57.404 56.048 -0.553 0.000 1.324 335 H CB 0.013 28.871 29.762 -1.506 0.000 1.446 335 H HN 0.251 nan 8.280 nan 0.000 0.537 336 T N -2.154 112.322 114.554 -0.130 0.000 2.746 336 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 336 T C 2.456 177.176 174.700 0.033 0.000 1.039 336 T CA 1.228 63.313 62.100 -0.025 0.000 1.142 336 T CB -0.907 67.961 68.868 -0.001 0.000 0.866 336 T HN 0.397 nan 8.240 nan 0.000 0.444 337 G N 1.717 110.509 108.800 -0.013 0.000 2.422 337 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.218 337 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.218 337 G C 1.469 176.365 174.900 -0.007 0.000 1.140 337 G CA 0.725 45.830 45.100 0.009 0.000 0.775 337 G HN 0.480 nan 8.290 nan 0.000 0.545 338 I N 0.230 120.715 120.570 -0.141 0.000 2.315 338 I HA 0.005 4.175 4.170 -0.000 0.000 0.248 338 I C 2.346 178.412 176.117 -0.086 0.000 1.117 338 I CA 0.394 61.516 61.300 -0.297 0.000 1.404 338 I CB -1.422 36.184 38.000 -0.656 0.000 1.071 338 I HN 0.053 nan 8.210 nan 0.000 0.419 339 F N 1.598 121.508 119.950 -0.067 0.000 2.259 339 F HA -0.087 4.440 4.527 -0.000 0.000 0.298 339 F C 2.438 178.248 175.800 0.017 0.000 1.088 339 F CA 1.197 59.205 58.000 0.014 0.000 1.358 339 F CB -0.426 38.607 39.000 0.055 0.000 1.040 339 F HN 0.035 nan 8.300 nan 0.000 0.505 340 K N -0.716 119.793 120.400 0.182 0.000 2.057 340 K HA -0.207 4.112 4.320 -0.000 0.000 0.207 340 K C 2.040 178.684 176.600 0.073 0.000 1.049 340 K CA 1.607 57.958 56.287 0.107 0.000 0.931 340 K CB -0.618 31.932 32.500 0.084 0.000 0.714 340 K HN 0.178 nan 8.250 nan 0.000 0.440 341 F N 2.131 122.028 119.950 -0.089 0.000 2.091 341 F HA -0.198 4.329 4.527 -0.000 0.000 0.299 341 F C 1.706 177.395 175.800 -0.185 0.000 1.103 341 F CA 1.460 59.380 58.000 -0.132 0.000 1.228 341 F CB -0.291 38.608 39.000 -0.170 0.000 0.984 341 F HN -0.102 nan 8.300 nan 0.000 0.477 342 L N -0.482 120.811 121.223 0.117 0.000 2.275 342 L HA -0.145 4.195 4.340 -0.000 0.000 0.215 342 L C 1.897 178.715 176.870 -0.087 0.000 1.119 342 L CA 0.912 55.703 54.840 -0.081 0.000 0.790 342 L CB -0.660 41.203 42.059 -0.326 0.000 0.919 342 L HN 0.124 nan 8.230 nan 0.000 0.443 343 K N -0.109 120.267 120.400 -0.039 0.000 3.206 343 K HA 0.044 4.364 4.320 -0.000 0.000 0.284 343 K C 0.608 177.168 176.600 -0.068 0.000 1.082 343 K CA -0.459 55.814 56.287 -0.024 0.000 1.536 343 K CB -0.067 32.450 32.500 0.029 0.000 1.993 343 K HN -0.055 nan 8.250 nan 0.000 0.646 344 N N 1.613 120.283 118.700 -0.049 0.000 2.332 344 N HA -0.066 4.674 4.740 -0.000 0.000 0.285 344 N C -1.113 174.332 175.510 -0.109 0.000 1.292 344 N CA -0.023 52.986 53.050 -0.068 0.000 0.947 344 N CB -0.230 38.236 38.487 -0.035 0.000 1.084 344 N HN 0.418 nan 8.380 nan 0.000 0.529 345 D N -1.268 119.075 120.400 -0.095 0.000 2.631 345 D HA -0.108 4.532 4.640 -0.000 0.000 0.225 345 D C -2.022 174.205 176.300 -0.121 0.000 1.189 345 D CA -0.428 53.506 54.000 -0.109 0.000 0.871 345 D CB -0.487 40.279 40.800 -0.058 0.000 1.224 345 D HN 0.403 nan 8.370 nan 0.000 0.510 346 P HA 0.045 nan 4.420 nan 0.000 0.245 346 P C 1.449 178.763 177.300 0.025 0.000 1.212 346 P CA -0.261 62.780 63.100 -0.098 0.000 0.774 346 P CB 0.190 31.805 31.700 -0.140 0.000 0.999 347 L N 0.032 121.265 121.223 0.016 0.000 1.944 347 L HA -0.161 4.179 4.340 -0.000 0.000 0.218 347 L C 2.304 179.217 176.870 0.072 0.000 1.075 347 L CA 2.852 57.723 54.840 0.051 0.000 0.767 347 L CB -1.836 40.237 42.059 0.023 0.000 0.890 347 L HN 0.107 nan 8.230 nan 0.000 0.434 348 G N -1.541 107.288 108.800 0.048 0.000 2.408 348 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.217 348 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.217 348 G C 1.683 176.631 174.900 0.080 0.000 1.150 348 G CA 0.832 45.963 45.100 0.053 0.000 0.776 348 G HN 0.561 nan 8.290 nan 0.000 0.542 349 A N -0.015 122.859 122.820 0.091 0.000 2.032 349 A HA -0.150 4.170 4.320 -0.000 0.000 0.221 349 A C 1.946 179.633 177.584 0.171 0.000 1.165 349 A CA 2.066 54.177 52.037 0.124 0.000 0.645 349 A CB -0.706 18.395 19.000 0.168 0.000 0.807 349 A HN 0.662 nan 8.150 nan 0.000 0.453 350 H N -0.175 118.929 119.070 0.056 0.000 2.266 350 H HA -0.110 4.446 4.556 -0.000 0.000 0.309 350 H C 2.306 177.657 175.328 0.038 0.000 1.054 350 H CA 1.133 57.214 56.048 0.055 0.000 1.328 350 H CB -0.092 29.705 29.762 0.057 0.000 1.407 350 H HN 0.694 nan 8.280 nan 0.000 0.508 351 E N 0.395 120.627 120.200 0.054 0.000 2.169 351 E HA -0.270 4.079 4.350 -0.000 0.000 0.202 351 E C 1.439 178.049 176.600 0.015 0.000 1.016 351 E CA 1.915 58.289 56.400 -0.043 0.000 0.817 351 E CB -0.305 29.375 29.700 -0.033 0.000 0.736 351 E HN 0.541 nan 8.360 nan 0.000 0.462 352 D N 1.129 121.557 120.400 0.047 0.000 2.078 352 D HA -0.142 4.498 4.640 -0.000 0.000 0.193 352 D C 2.090 178.408 176.300 0.030 0.000 0.990 352 D CA 1.711 55.732 54.000 0.035 0.000 0.827 352 D CB -0.256 40.564 40.800 0.034 0.000 0.975 352 D HN 0.463 nan 8.370 nan 0.000 0.451 353 I N -0.556 120.041 120.570 0.045 0.000 2.676 353 I HA -0.072 4.098 4.170 -0.000 0.000 0.259 353 I C 1.734 177.870 176.117 0.031 0.000 1.194 353 I CA 1.292 62.604 61.300 0.020 0.000 1.473 353 I CB -0.145 37.867 38.000 0.020 0.000 1.096 353 I HN -0.112 nan 8.210 nan 0.000 0.443 354 K N 1.527 121.978 120.400 0.086 0.000 2.001 354 K HA -0.233 4.087 4.320 -0.000 0.000 0.208 354 K C 2.339 178.962 176.600 0.037 0.000 1.048 354 K CA 1.696 58.032 56.287 0.081 0.000 0.932 354 K CB -0.251 32.271 32.500 0.038 0.000 0.715 354 K HN 0.414 nan 8.250 nan 0.000 0.437 355 K N 0.115 120.527 120.400 0.021 0.000 2.147 355 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 355 K C 1.873 178.487 176.600 0.024 0.000 1.049 355 K CA 1.118 57.417 56.287 0.020 0.000 0.936 355 K CB -0.125 32.385 32.500 0.017 0.000 0.722 355 K HN 0.255 nan 8.250 nan 0.000 0.446 356 A N 1.690 124.517 122.820 0.012 0.000 1.902 356 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 356 A C 2.027 179.607 177.584 -0.006 0.000 1.181 356 A CA 1.330 53.367 52.037 0.000 0.000 0.623 356 A CB -0.466 18.516 19.000 -0.031 0.000 0.818 356 A HN 0.305 nan 8.150 nan 0.000 0.443 357 I N 0.008 120.558 120.570 -0.033 0.000 2.226 357 I HA -0.237 3.932 4.170 -0.000 0.000 0.245 357 I C 2.264 178.411 176.117 0.050 0.000 1.100 357 I CA 1.611 62.881 61.300 -0.050 0.000 1.374 357 I CB -1.294 36.683 38.000 -0.038 0.000 1.057 357 I HN 0.498 nan 8.210 nan 0.000 0.413 358 E N 1.053 121.287 120.200 0.057 0.000 2.153 358 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 358 E C 2.372 179.008 176.600 0.061 0.000 0.988 358 E CA 1.001 57.439 56.400 0.063 0.000 0.811 358 E CB -0.100 29.629 29.700 0.048 0.000 0.746 358 E HN 0.469 nan 8.360 nan 0.000 0.466 359 L N -0.776 120.487 121.223 0.068 0.000 2.095 359 L HA 0.069 4.409 4.340 -0.000 0.000 0.204 359 L C 0.820 177.785 176.870 0.159 0.000 1.080 359 L CA 0.715 55.603 54.840 0.080 0.000 0.759 359 L CB 0.314 42.419 42.059 0.076 0.000 0.914 359 L HN 0.050 nan 8.230 nan 0.000 0.439 360 F N -1.564 118.372 119.950 -0.023 0.000 2.922 360 F HA 0.144 4.671 4.527 -0.001 0.000 0.341 360 F C -2.209 173.557 175.800 -0.057 0.000 1.140 360 F CA -1.723 56.265 58.000 -0.020 0.000 1.203 360 F CB 1.074 40.065 39.000 -0.015 0.000 1.491 360 F HN -0.219 nan 8.300 nan 0.000 0.670 361 P HA -0.238 nan 4.420 nan 0.000 0.230 361 P C -0.867 176.276 177.300 -0.261 0.000 0.853 361 P CA 1.903 65.001 63.100 -0.003 0.000 1.096 361 P CB 0.003 31.841 31.700 0.229 0.000 0.677 362 R N -3.208 117.156 120.500 -0.227 0.000 1.317 362 R HA -0.123 4.217 4.340 -0.000 0.000 0.418 362 R C 0.390 176.577 176.300 -0.189 0.000 1.296 362 R CA 0.014 55.963 56.100 -0.251 0.000 0.915 362 R CB -1.329 28.797 30.300 -0.290 0.000 2.946 362 R HN -0.050 nan 8.270 nan 0.000 0.503 363 V N 4.199 124.087 119.914 -0.043 0.000 2.236 363 V HA -0.440 3.680 4.120 -0.000 0.000 0.255 363 V C 2.180 178.252 176.094 -0.036 0.000 1.068 363 V CA 2.542 64.868 62.300 0.042 0.000 1.044 363 V CB -0.527 31.326 31.823 0.050 0.000 0.653 363 V HN 0.790 nan 8.190 nan 0.000 0.448 364 N N -0.085 118.556 118.700 -0.098 0.000 2.137 364 N HA -0.150 4.590 4.740 -0.000 0.000 0.190 364 N C 2.036 177.371 175.510 -0.292 0.000 1.017 364 N CA 1.762 54.651 53.050 -0.268 0.000 0.859 364 N CB -0.427 37.932 38.487 -0.214 0.000 1.002 364 N HN 0.516 nan 8.380 nan 0.000 0.428 365 S N 0.686 116.292 115.700 -0.156 0.000 2.359 365 S HA -0.150 4.320 4.470 -0.000 0.000 0.223 365 S C 1.772 176.287 174.600 -0.143 0.000 1.039 365 S CA 1.099 59.220 58.200 -0.132 0.000 1.042 365 S CB -0.499 62.516 63.200 -0.308 0.000 0.915 365 S HN 0.351 nan 8.310 nan 0.000 0.439 366 Y N 1.531 121.779 120.300 -0.086 0.000 2.128 366 Y HA -0.060 4.490 4.550 -0.000 0.000 0.284 366 Y C 2.250 178.106 175.900 -0.073 0.000 1.154 366 Y CA 0.202 58.230 58.100 -0.120 0.000 1.149 366 Y CB -0.890 37.578 38.460 0.014 0.000 0.976 366 Y HN 0.202 nan 8.280 nan 0.000 0.505 367 I N -1.351 119.261 120.570 0.070 0.000 2.208 367 I HA -0.377 3.793 4.170 -0.000 0.000 0.245 367 I C 1.957 178.034 176.117 -0.067 0.000 1.097 367 I CA 1.578 62.857 61.300 -0.034 0.000 1.363 367 I CB -0.526 37.229 38.000 -0.407 0.000 1.051 367 I HN 0.177 nan 8.210 nan 0.000 0.413 368 Y N -0.382 119.887 120.300 -0.051 0.000 2.242 368 Y HA -0.241 4.309 4.550 -0.000 0.000 0.291 368 Y C 2.473 178.307 175.900 -0.110 0.000 1.137 368 Y CA 1.220 59.249 58.100 -0.119 0.000 1.181 368 Y CB -0.661 37.707 38.460 -0.153 0.000 0.989 368 Y HN 0.158 nan 8.280 nan 0.000 0.527 369 M N 0.286 119.894 119.600 0.014 0.000 2.117 369 M HA -0.070 4.410 4.480 -0.000 0.000 0.262 369 M C 2.151 178.403 176.300 -0.079 0.000 1.065 369 M CA 1.895 57.106 55.300 -0.148 0.000 1.114 369 M CB -0.573 31.728 32.600 -0.499 0.000 1.361 369 M HN 0.122 nan 8.290 nan 0.000 0.408 370 A N -0.570 122.268 122.820 0.030 0.000 2.225 370 A HA -0.029 4.291 4.320 -0.000 0.000 0.215 370 A C 1.902 179.471 177.584 -0.025 0.000 1.164 370 A CA 1.251 53.384 52.037 0.160 0.000 0.710 370 A CB -0.931 18.209 19.000 0.234 0.000 0.780 370 A HN 0.615 nan 8.150 nan 0.000 0.473 371 L N -0.986 120.263 121.223 0.042 0.000 2.362 371 L HA 0.120 4.460 4.340 -0.000 0.000 0.204 371 L C 2.324 179.294 176.870 0.167 0.000 1.060 371 L CA 0.758 55.641 54.840 0.071 0.000 0.827 371 L CB -0.477 41.625 42.059 0.073 0.000 1.027 371 L HN 0.556 nan 8.230 nan 0.000 0.474 372 I N -2.736 117.962 120.570 0.213 0.000 2.756 372 I HA -0.184 3.986 4.170 -0.000 0.000 0.262 372 I C 2.244 178.366 176.117 0.009 0.000 1.225 372 I CA 1.088 62.533 61.300 0.242 0.000 1.472 372 I CB -0.115 37.979 38.000 0.158 0.000 1.094 372 I HN 0.208 nan 8.210 nan 0.000 0.454 373 M N 1.774 121.341 119.600 -0.054 0.000 2.556 373 M HA 0.221 4.701 4.480 -0.000 0.000 0.259 373 M C 2.620 178.825 176.300 -0.158 0.000 1.175 373 M CA 1.509 56.776 55.300 -0.054 0.000 1.202 373 M CB -1.287 31.378 32.600 0.108 0.000 1.298 373 M HN 0.358 nan 8.290 nan 0.000 0.492 374 A N 0.552 123.043 122.820 -0.548 0.000 2.131 374 A HA -0.211 4.108 4.320 -0.000 0.000 0.220 374 A C 1.781 179.272 177.584 -0.156 0.000 1.158 374 A CA 2.123 53.776 52.037 -0.639 0.000 0.665 374 A CB -1.024 17.423 19.000 -0.922 0.000 0.795 374 A HN 0.519 nan 8.150 nan 0.000 0.460 375 D N -0.975 119.381 120.400 -0.073 0.000 2.088 375 D HA -0.091 4.549 4.640 -0.000 0.000 0.191 375 D C 1.065 177.358 176.300 -0.013 0.000 0.992 375 D CA 1.294 55.292 54.000 -0.003 0.000 0.831 375 D CB 0.099 40.896 40.800 -0.004 0.000 0.973 375 D HN 0.293 nan 8.370 nan 0.000 0.447 376 R N -1.190 119.304 120.500 -0.011 0.000 2.854 376 R HA 0.470 4.810 4.340 -0.000 0.000 0.271 376 R C -0.335 175.985 176.300 0.034 0.000 0.994 376 R CA -0.375 55.730 56.100 0.008 0.000 0.945 376 R CB 1.037 31.335 30.300 -0.003 0.000 1.194 376 R HN 0.197 nan 8.270 nan 0.000 0.476 377 N N -0.126 118.596 118.700 0.037 0.000 2.615 377 N HA -0.274 4.466 4.740 -0.000 0.000 0.167 377 N C -1.902 173.655 175.510 0.077 0.000 0.858 377 N CA 2.161 55.239 53.050 0.048 0.000 0.890 377 N CB -0.373 38.142 38.487 0.048 0.000 0.837 377 N HN 0.745 nan 8.380 nan 0.000 0.671 378 D N -1.570 118.881 120.400 0.084 0.000 2.947 378 D HA 0.645 5.285 4.640 -0.000 0.000 0.224 378 D C -1.545 174.813 176.300 0.098 0.000 1.230 378 D CA -0.445 53.625 54.000 0.117 0.000 0.871 378 D CB 1.416 42.258 40.800 0.071 0.000 1.671 378 D HN 0.461 nan 8.370 nan 0.000 0.507 379 S N 0.728 116.506 115.700 0.131 0.000 2.382 379 S HA 0.128 4.598 4.470 -0.000 0.000 0.228 379 S C 0.168 174.661 174.600 -0.178 0.000 0.996 379 S CA -0.772 57.442 58.200 0.023 0.000 1.094 379 S CB 1.168 64.418 63.200 0.084 0.000 1.209 379 S HN 0.586 nan 8.310 nan 0.000 0.420 380 T N 1.171 115.558 114.554 -0.278 0.000 3.570 380 T HA -0.056 4.294 4.350 -0.000 0.000 0.258 380 T C 1.393 175.828 174.700 -0.442 0.000 1.178 380 T CA 1.094 62.915 62.100 -0.464 0.000 1.002 380 T CB -0.306 68.389 68.868 -0.288 0.000 0.993 380 T HN 0.544 nan 8.240 nan 0.000 0.567 381 E N 0.354 120.321 120.200 -0.389 0.000 2.112 381 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 381 E C 1.511 177.783 176.600 -0.546 0.000 0.979 381 E CA 1.266 57.434 56.400 -0.388 0.000 0.814 381 E CB -0.389 29.133 29.700 -0.297 0.000 0.762 381 E HN 0.921 nan 8.360 nan 0.000 0.460 382 Y N -1.785 118.318 120.300 -0.329 0.000 2.352 382 Y HA -0.083 4.466 4.550 -0.000 0.000 0.292 382 Y C 1.857 177.447 175.900 -0.517 0.000 1.136 382 Y CA 0.776 58.719 58.100 -0.262 0.000 1.227 382 Y CB -1.125 37.342 38.460 0.011 0.000 0.991 382 Y HN 0.062 nan 8.280 nan 0.000 0.545 383 Y N 2.116 121.947 120.300 -0.782 0.000 2.680 383 Y HA -0.075 4.475 4.550 0.000 0.000 0.303 383 Y C 1.548 177.206 175.900 -0.403 0.000 1.166 383 Y CA 0.762 58.494 58.100 -0.613 0.000 1.344 383 Y CB -0.466 37.722 38.460 -0.453 0.000 1.002 383 Y HN 0.369 nan 8.280 nan 0.000 0.537 384 N N -1.978 116.459 118.700 -0.439 0.000 2.273 384 N HA -0.050 4.690 4.740 -0.000 0.000 0.192 384 N C 1.353 176.680 175.510 -0.305 0.000 1.132 384 N CA 0.390 53.225 53.050 -0.358 0.000 0.887 384 N CB -0.339 37.959 38.487 -0.314 0.000 1.048 384 N HN 0.404 nan 8.380 nan 0.000 0.490 385 Y N -0.332 119.785 120.300 -0.305 0.000 2.200 385 Y HA -0.128 4.421 4.550 -0.000 0.000 0.290 385 Y C 1.491 177.289 175.900 -0.170 0.000 1.137 385 Y CA 1.060 59.015 58.100 -0.240 0.000 1.163 385 Y CB -0.150 38.264 38.460 -0.077 0.000 0.988 385 Y HN 0.062 nan 8.280 nan 0.000 0.518 386 F N 0.038 119.977 119.950 -0.019 0.000 2.120 386 F HA -0.323 4.204 4.527 -0.000 0.000 0.300 386 F C 2.185 177.858 175.800 -0.212 0.000 1.095 386 F CA 1.064 58.987 58.000 -0.130 0.000 1.249 386 F CB -0.361 38.497 39.000 -0.236 0.000 0.995 386 F HN 0.146 nan 8.300 nan 0.000 0.480 387 D N 0.555 120.903 120.400 -0.086 0.000 2.117 387 D HA -0.162 4.477 4.640 -0.000 0.000 0.197 387 D C 1.931 178.137 176.300 -0.158 0.000 0.987 387 D CA 1.374 55.284 54.000 -0.149 0.000 0.829 387 D CB -0.051 40.633 40.800 -0.194 0.000 0.961 387 D HN 0.088 nan 8.370 nan 0.000 0.460 388 K N -0.160 120.077 120.400 -0.271 0.000 2.147 388 K HA -0.047 4.273 4.320 -0.000 0.000 0.205 388 K C 2.087 178.426 176.600 -0.436 0.000 1.049 388 K CA 0.995 56.992 56.287 -0.483 0.000 0.936 388 K CB -0.066 31.881 32.500 -0.922 0.000 0.722 388 K HN 0.151 nan 8.250 nan 0.000 0.446 389 A N 1.387 124.075 122.820 -0.219 0.000 1.872 389 A HA -0.068 4.252 4.320 -0.000 0.000 0.214 389 A C 2.045 179.695 177.584 0.110 0.000 1.187 389 A CA 0.946 53.095 52.037 0.186 0.000 0.614 389 A CB -0.534 18.606 19.000 0.233 0.000 0.826 389 A HN 0.136 nan 8.150 nan 0.000 0.442 390 L N -0.501 120.739 121.223 0.029 0.000 2.265 390 L HA -0.190 4.150 4.340 -0.000 0.000 0.215 390 L C 2.282 179.181 176.870 0.050 0.000 1.117 390 L CA 1.332 56.194 54.840 0.036 0.000 0.782 390 L CB -0.581 41.471 42.059 -0.011 0.000 0.914 390 L HN 0.402 nan 8.230 nan 0.000 0.441 391 K N 0.148 120.568 120.400 0.033 0.000 2.211 391 K HA -0.144 4.175 4.320 -0.000 0.000 0.204 391 K C 1.874 178.527 176.600 0.089 0.000 1.047 391 K CA 1.071 57.386 56.287 0.048 0.000 0.935 391 K CB -0.010 32.510 32.500 0.034 0.000 0.728 391 K HN 0.346 nan 8.250 nan 0.000 0.452 392 L N -0.053 121.242 121.223 0.120 0.000 2.208 392 L HA 0.020 4.360 4.340 -0.000 0.000 0.196 392 L C 0.076 177.005 176.870 0.099 0.000 1.130 392 L CA 0.544 55.462 54.840 0.129 0.000 0.791 392 L CB -0.038 42.117 42.059 0.160 0.000 0.969 392 L HN -0.049 nan 8.230 nan 0.000 0.468 393 D N 0.195 120.654 120.400 0.097 0.000 2.499 393 D HA 0.079 4.718 4.640 -0.000 0.000 0.225 393 D C 1.120 177.478 176.300 0.095 0.000 1.124 393 D CA 0.008 54.058 54.000 0.084 0.000 0.938 393 D CB 1.019 41.864 40.800 0.076 0.000 1.014 393 D HN 0.089 nan 8.370 nan 0.000 0.517 394 S N 1.651 117.405 115.700 0.089 0.000 2.493 394 S HA -0.154 4.316 4.470 -0.000 0.000 0.243 394 S C 0.872 175.557 174.600 0.141 0.000 0.991 394 S CA 0.571 58.836 58.200 0.108 0.000 0.957 394 S CB 0.015 63.263 63.200 0.080 0.000 0.756 394 S HN 0.300 nan 8.310 nan 0.000 0.521 395 N N 1.317 120.078 118.700 0.101 0.000 2.451 395 N HA 0.154 4.894 4.740 -0.000 0.000 0.271 395 N C -0.972 174.577 175.510 0.064 0.000 1.410 395 N CA -0.124 52.962 53.050 0.060 0.000 0.884 395 N CB 0.121 38.614 38.487 0.009 0.000 1.332 395 N HN 0.387 nan 8.380 nan 0.000 0.498 396 N N 1.153 119.921 118.700 0.113 0.000 3.050 396 N HA -0.006 4.734 4.740 -0.000 0.000 0.289 396 N C 1.193 176.764 175.510 0.101 0.000 1.209 396 N CA 0.022 53.121 53.050 0.082 0.000 1.154 396 N CB 0.183 38.712 38.487 0.070 0.000 1.444 396 N HN -0.015 nan 8.380 nan 0.000 0.529 397 S N 0.979 116.718 115.700 0.066 0.000 2.476 397 S HA -0.271 4.198 4.470 -0.000 0.000 0.260 397 S C 1.869 176.511 174.600 0.069 0.000 1.009 397 S CA 1.951 60.187 58.200 0.061 0.000 0.980 397 S CB -0.425 62.773 63.200 -0.003 0.000 0.751 397 S HN 0.690 nan 8.310 nan 0.000 0.511 398 S N 0.515 116.209 115.700 -0.011 0.000 2.414 398 S HA -0.053 4.417 4.470 -0.000 0.000 0.227 398 S C 1.943 176.534 174.600 -0.016 0.000 1.022 398 S CA 0.859 58.984 58.200 -0.126 0.000 0.958 398 S CB -0.869 62.114 63.200 -0.361 0.000 0.797 398 S HN 0.747 nan 8.310 nan 0.000 0.493 399 V N -0.793 119.095 119.914 -0.044 0.000 2.261 399 V HA -0.121 3.999 4.120 -0.000 0.000 0.246 399 V C 2.273 178.232 176.094 -0.225 0.000 1.047 399 V CA 1.528 63.710 62.300 -0.196 0.000 1.015 399 V CB -1.893 29.822 31.823 -0.179 0.000 0.642 399 V HN 0.425 nan 8.190 nan 0.000 0.446 400 Y N -0.046 120.178 120.300 -0.126 0.000 2.315 400 Y HA -0.151 4.399 4.550 -0.000 0.000 0.288 400 Y C 2.519 178.388 175.900 -0.052 0.000 1.154 400 Y CA 2.101 60.138 58.100 -0.105 0.000 1.229 400 Y CB -0.839 37.594 38.460 -0.046 0.000 0.980 400 Y HN 0.429 nan 8.280 nan 0.000 0.540 401 Y N -0.489 119.847 120.300 0.060 0.000 2.220 401 Y HA -0.209 4.341 4.550 0.000 0.000 0.291 401 Y C 2.269 178.165 175.900 -0.006 0.000 1.129 401 Y CA 1.875 60.027 58.100 0.088 0.000 1.161 401 Y CB -0.484 37.936 38.460 -0.067 0.000 0.997 401 Y HN 0.117 nan 8.280 nan 0.000 0.522 402 H N -0.529 118.471 119.070 -0.117 0.000 2.357 402 H HA -0.023 4.533 4.556 -0.000 0.000 0.301 402 H C 2.311 177.449 175.328 -0.316 0.000 1.082 402 H CA 1.758 57.665 56.048 -0.234 0.000 1.342 402 H CB -0.192 29.389 29.762 -0.302 0.000 1.389 402 H HN 0.197 nan 8.280 nan 0.000 0.511 403 R N 0.365 120.580 120.500 -0.475 0.000 2.152 403 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 403 R C 2.222 178.482 176.300 -0.066 0.000 1.117 403 R CA 1.167 57.136 56.100 -0.219 0.000 0.981 403 R CB -0.328 29.796 30.300 -0.294 0.000 0.870 403 R HN 0.438 nan 8.270 nan 0.000 0.451 404 G N -0.259 108.364 108.800 -0.294 0.000 2.421 404 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 404 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 404 G C 1.160 175.922 174.900 -0.230 0.000 1.143 404 G CA 0.102 44.768 45.100 -0.724 0.000 0.784 404 G HN 0.350 nan 8.290 nan 0.000 0.541 405 Q N -0.597 119.202 119.800 -0.002 0.000 2.079 405 Q HA -0.036 4.304 4.340 -0.000 0.000 0.200 405 Q C 2.745 178.897 176.000 0.254 0.000 0.974 405 Q CA 0.916 56.813 55.803 0.157 0.000 0.840 405 Q CB -0.184 28.541 28.738 -0.021 0.000 0.898 405 Q HN 0.338 nan 8.270 nan 0.000 0.430 406 M N 0.513 120.262 119.600 0.249 0.000 2.067 406 M HA -0.163 4.317 4.480 -0.000 0.000 0.260 406 M C 1.536 177.979 176.300 0.239 0.000 1.069 406 M CA 1.580 57.065 55.300 0.309 0.000 1.117 406 M CB -1.449 31.448 32.600 0.496 0.000 1.334 406 M HN 0.262 nan 8.290 nan 0.000 0.407 407 N N -0.608 118.211 118.700 0.197 0.000 2.309 407 N HA -0.149 4.591 4.740 -0.000 0.000 0.182 407 N C 1.565 177.184 175.510 0.183 0.000 1.018 407 N CA 0.594 53.716 53.050 0.120 0.000 0.876 407 N CB -0.149 38.371 38.487 0.055 0.000 0.972 407 N HN 0.128 nan 8.380 nan 0.000 0.434 408 F N 2.228 122.229 119.950 0.085 0.000 2.259 408 F HA 0.073 4.600 4.527 -0.000 0.000 0.298 408 F C 1.900 177.831 175.800 0.217 0.000 1.088 408 F CA 0.647 58.755 58.000 0.179 0.000 1.358 408 F CB -0.066 39.054 39.000 0.200 0.000 1.040 408 F HN -0.036 nan 8.300 nan 0.000 0.505 409 I N -2.061 118.600 120.570 0.151 0.000 3.226 409 I HA 0.002 4.172 4.170 -0.000 0.000 0.277 409 I C 1.069 177.207 176.117 0.036 0.000 1.243 409 I CA 0.709 62.042 61.300 0.055 0.000 1.459 409 I CB -0.580 37.493 38.000 0.123 0.000 1.093 409 I HN -0.026 nan 8.210 nan 0.000 0.453 410 L N 1.717 122.968 121.223 0.046 0.000 2.718 410 L HA 0.171 4.511 4.340 -0.000 0.000 0.242 410 L C 0.760 177.576 176.870 -0.091 0.000 1.203 410 L CA 0.299 55.136 54.840 -0.006 0.000 1.011 410 L CB -0.796 41.262 42.059 -0.002 0.000 1.250 410 L HN 0.434 nan 8.230 nan 0.000 0.437 411 Q N -1.086 118.642 119.800 -0.119 0.000 2.243 411 Q HA -0.294 4.046 4.340 -0.000 0.000 0.208 411 Q C 0.648 176.260 176.000 -0.647 0.000 0.722 411 Q CA 1.118 56.672 55.803 -0.416 0.000 1.420 411 Q CB -1.185 27.343 28.738 -0.350 0.000 1.787 411 Q HN 0.541 nan 8.270 nan 0.000 0.653 412 N N 0.329 118.890 118.700 -0.231 0.000 2.895 412 N HA 0.012 4.752 4.740 -0.000 0.000 0.277 412 N C -0.087 175.472 175.510 0.082 0.000 1.185 412 N CA 0.213 53.185 53.050 -0.129 0.000 1.106 412 N CB -0.178 38.273 38.487 -0.062 0.000 1.422 412 N HN 0.362 nan 8.380 nan 0.000 0.521 413 Y N -0.565 119.748 120.300 0.021 0.000 2.680 413 Y HA -0.124 4.426 4.550 -0.000 0.000 0.303 413 Y C 1.860 177.830 175.900 0.116 0.000 1.166 413 Y CA -0.239 57.928 58.100 0.111 0.000 1.344 413 Y CB 0.299 38.808 38.460 0.082 0.000 1.002 413 Y HN 0.441 nan 8.280 nan 0.000 0.537 414 D N 0.389 120.896 120.400 0.178 0.000 2.634 414 D HA -0.140 4.500 4.640 -0.000 0.000 0.262 414 D C 1.922 178.254 176.300 0.054 0.000 1.354 414 D CA 0.549 54.611 54.000 0.102 0.000 1.028 414 D CB -0.080 40.749 40.800 0.049 0.000 1.061 414 D HN 0.130 nan 8.370 nan 0.000 0.387 415 Q N 1.084 120.894 119.800 0.017 0.000 2.325 415 Q HA -0.149 4.191 4.340 -0.000 0.000 0.211 415 Q C 1.624 177.574 176.000 -0.085 0.000 0.988 415 Q CA 2.018 57.811 55.803 -0.017 0.000 0.887 415 Q CB -0.602 28.128 28.738 -0.014 0.000 0.915 415 Q HN 0.347 nan 8.270 nan 0.000 0.440 416 A N -0.353 122.431 122.820 -0.060 0.000 1.828 416 A HA -0.030 4.290 4.320 -0.000 0.000 0.215 416 A C 2.219 179.454 177.584 -0.582 0.000 1.203 416 A CA 1.507 53.395 52.037 -0.249 0.000 0.614 416 A CB -1.504 17.605 19.000 0.182 0.000 0.844 416 A HN 0.534 nan 8.150 nan 0.000 0.445 417 G N -1.256 107.485 108.800 -0.098 0.000 2.653 417 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.212 417 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.212 417 G C 1.428 176.317 174.900 -0.017 0.000 1.138 417 G CA 0.976 46.128 45.100 0.086 0.000 0.782 417 G HN 0.371 nan 8.290 nan 0.000 0.535 418 K N 0.610 120.940 120.400 -0.117 0.000 2.168 418 K HA 0.006 4.326 4.320 -0.000 0.000 0.201 418 K C 1.719 178.279 176.600 -0.066 0.000 1.049 418 K CA 0.639 56.893 56.287 -0.055 0.000 0.974 418 K CB -0.022 32.460 32.500 -0.029 0.000 0.792 418 K HN 0.149 nan 8.250 nan 0.000 0.463 419 D N 0.320 120.610 120.400 -0.183 0.000 2.117 419 D HA -0.112 4.528 4.640 -0.000 0.000 0.198 419 D C 1.990 178.283 176.300 -0.012 0.000 0.982 419 D CA 0.903 54.856 54.000 -0.077 0.000 0.828 419 D CB -0.344 40.328 40.800 -0.213 0.000 0.967 419 D HN 0.194 nan 8.370 nan 0.000 0.464 420 F N 1.842 121.776 119.950 -0.027 0.000 2.120 420 F HA -0.202 4.325 4.527 -0.000 0.000 0.300 420 F C 2.273 178.018 175.800 -0.092 0.000 1.095 420 F CA 0.577 58.531 58.000 -0.076 0.000 1.249 420 F CB -0.150 38.761 39.000 -0.149 0.000 0.995 420 F HN -0.125 nan 8.300 nan 0.000 0.480 421 D N 0.326 120.777 120.400 0.084 0.000 2.149 421 D HA -0.150 4.490 4.640 -0.000 0.000 0.198 421 D C 2.081 178.348 176.300 -0.054 0.000 0.990 421 D CA 1.064 55.054 54.000 -0.018 0.000 0.839 421 D CB -0.302 40.485 40.800 -0.021 0.000 0.948 421 D HN 0.215 nan 8.370 nan 0.000 0.460 422 K N 0.545 120.912 120.400 -0.055 0.000 2.217 422 K HA 0.060 4.379 4.320 -0.000 0.000 0.202 422 K C 1.922 178.408 176.600 -0.190 0.000 1.051 422 K CA 0.407 56.572 56.287 -0.203 0.000 0.952 422 K CB 0.010 32.292 32.500 -0.363 0.000 0.736 422 K HN 0.042 nan 8.250 nan 0.000 0.453 423 A N 1.341 124.156 122.820 -0.010 0.000 1.930 423 A HA -0.119 4.200 4.320 -0.000 0.000 0.215 423 A C 2.143 179.729 177.584 0.004 0.000 1.176 423 A CA 1.317 53.392 52.037 0.062 0.000 0.632 423 A CB -0.177 18.972 19.000 0.249 0.000 0.819 423 A HN 0.219 nan 8.150 nan 0.000 0.445 424 K N -0.493 119.875 120.400 -0.054 0.000 2.116 424 K HA -0.097 4.223 4.320 -0.000 0.000 0.203 424 K C 1.734 178.298 176.600 -0.059 0.000 1.052 424 K CA 1.129 57.338 56.287 -0.130 0.000 0.952 424 K CB -0.035 32.249 32.500 -0.361 0.000 0.729 424 K HN 0.339 nan 8.250 nan 0.000 0.446 425 E N 0.731 120.885 120.200 -0.076 0.000 2.047 425 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 425 E C 1.635 178.205 176.600 -0.051 0.000 0.987 425 E CA 0.900 57.264 56.400 -0.061 0.000 0.799 425 E CB -0.081 29.564 29.700 -0.091 0.000 0.752 425 E HN 0.208 nan 8.360 nan 0.000 0.449 426 L N 0.851 122.023 121.223 -0.085 0.000 2.675 426 L HA 0.034 4.374 4.340 -0.000 0.000 0.239 426 L C -0.317 176.543 176.870 -0.017 0.000 1.151 426 L CA 0.757 55.555 54.840 -0.070 0.000 0.905 426 L CB -0.397 41.586 42.059 -0.126 0.000 1.057 426 L HN -0.015 nan 8.230 nan 0.000 0.435 427 D N -2.861 117.549 120.400 0.017 0.000 3.017 427 D HA 0.040 4.680 4.640 -0.000 0.000 0.153 427 D C -2.219 174.162 176.300 0.136 0.000 1.112 427 D CA -0.382 53.655 54.000 0.061 0.000 1.630 427 D CB 0.696 41.523 40.800 0.044 0.000 1.144 427 D HN -0.204 nan 8.370 nan 0.000 0.770 428 P HA -0.063 nan 4.420 nan 0.000 0.219 428 P C 1.245 178.825 177.300 0.467 0.000 1.150 428 P CA 0.566 63.883 63.100 0.361 0.000 0.814 428 P CB 0.364 32.217 31.700 0.254 0.000 0.787 429 E N -0.359 120.016 120.200 0.291 0.000 2.110 429 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 429 E C 0.810 177.549 176.600 0.231 0.000 0.988 429 E CA 0.542 57.127 56.400 0.307 0.000 0.804 429 E CB -1.248 28.555 29.700 0.172 0.000 0.745 429 E HN 0.426 nan 8.360 nan 0.000 0.458 430 N N 1.246 120.041 118.700 0.160 0.000 2.411 430 N HA -0.069 4.671 4.740 -0.000 0.000 0.265 430 N C 1.151 176.632 175.510 -0.048 0.000 1.266 430 N CA -0.228 52.868 53.050 0.078 0.000 0.889 430 N CB 0.427 38.960 38.487 0.078 0.000 1.069 430 N HN 0.083 nan 8.380 nan 0.000 0.476 431 I N 4.278 124.660 120.570 -0.313 0.000 2.353 431 I HA -0.212 3.958 4.170 -0.000 0.000 0.248 431 I C 0.951 176.849 176.117 -0.364 0.000 1.119 431 I CA 1.105 61.979 61.300 -0.709 0.000 1.417 431 I CB 0.002 37.514 38.000 -0.813 0.000 1.078 431 I HN 0.568 nan 8.210 nan 0.000 0.421 432 F N 1.815 121.667 119.950 -0.163 0.000 2.091 432 F HA -0.122 4.404 4.527 -0.000 0.000 0.299 432 F C -0.418 175.340 175.800 -0.070 0.000 1.103 432 F CA 1.589 59.516 58.000 -0.122 0.000 1.228 432 F CB -2.417 36.403 39.000 -0.301 0.000 0.984 432 F HN 0.135 nan 8.300 nan 0.000 0.477 433 P HA -0.201 nan 4.420 nan 0.000 0.221 433 P C 0.771 177.951 177.300 -0.200 0.000 1.141 433 P CA 1.633 64.747 63.100 0.023 0.000 0.794 433 P CB -0.234 31.481 31.700 0.025 0.000 0.764 434 Y N -1.403 118.777 120.300 -0.199 0.000 2.266 434 Y HA 0.049 4.599 4.550 -0.000 0.000 0.294 434 Y C 2.276 177.954 175.900 -0.370 0.000 1.127 434 Y CA 0.538 58.492 58.100 -0.243 0.000 1.140 434 Y CB -1.060 37.261 38.460 -0.232 0.000 1.071 434 Y HN -0.180 nan 8.280 nan 0.000 0.525 435 I N -0.214 120.238 120.570 -0.198 0.000 2.264 435 I HA -0.325 3.845 4.170 -0.000 0.000 0.248 435 I C 2.278 178.131 176.117 -0.440 0.000 1.111 435 I CA 1.497 62.594 61.300 -0.339 0.000 1.382 435 I CB -0.508 37.435 38.000 -0.094 0.000 1.060 435 I HN 0.215 nan 8.210 nan 0.000 0.418 436 Q N 1.583 121.108 119.800 -0.458 0.000 1.917 436 Q HA -0.144 4.196 4.340 -0.000 0.000 0.205 436 Q C 2.259 177.858 176.000 -0.669 0.000 0.988 436 Q CA 1.883 57.239 55.803 -0.745 0.000 0.851 436 Q CB -0.498 27.426 28.738 -1.358 0.000 0.916 436 Q HN 0.408 nan 8.270 nan 0.000 0.424 437 L N 0.189 121.052 121.223 -0.600 0.000 2.051 437 L HA -0.327 4.013 4.340 -0.000 0.000 0.214 437 L C 2.319 179.020 176.870 -0.282 0.000 1.076 437 L CA 1.131 55.791 54.840 -0.300 0.000 0.758 437 L CB -1.023 40.923 42.059 -0.189 0.000 0.890 437 L HN 0.419 nan 8.230 nan 0.000 0.433 438 A N -1.007 121.572 122.820 -0.400 0.000 1.879 438 A HA -0.409 3.911 4.320 -0.000 0.000 0.234 438 A C 2.122 179.473 177.584 -0.389 0.000 1.742 438 A CA 2.684 54.386 52.037 -0.558 0.000 0.775 438 A CB -1.452 16.851 19.000 -1.163 0.000 0.849 438 A HN 0.586 nan 8.150 nan 0.000 0.487 439 c N -0.695 117.715 118.600 -0.316 0.000 2.760 439 c HA 0.541 5.111 4.570 -0.000 0.000 0.293 439 c C 2.111 176.268 174.090 0.110 0.000 1.383 439 c CA -0.171 56.197 56.329 0.065 0.000 1.771 439 c CB -2.180 40.561 42.510 0.385 0.000 2.353 439 c HN 0.651 nan 8.230 nan 0.000 0.578 440 L N 1.912 123.124 121.223 -0.019 0.000 2.081 440 L HA -0.065 4.275 4.340 -0.000 0.000 0.212 440 L C 2.391 179.355 176.870 0.156 0.000 1.080 440 L CA 2.322 57.212 54.840 0.084 0.000 0.754 440 L CB -0.376 41.671 42.059 -0.020 0.000 0.893 440 L HN 0.332 nan 8.230 nan 0.000 0.433 441 A N -1.048 121.843 122.820 0.119 0.000 2.194 441 A HA -0.280 4.040 4.320 -0.000 0.000 0.220 441 A C 2.031 179.711 177.584 0.160 0.000 1.162 441 A CA 1.604 53.713 52.037 0.120 0.000 0.674 441 A CB -1.047 18.009 19.000 0.093 0.000 0.789 441 A HN 0.772 nan 8.150 nan 0.000 0.470 442 Y N 0.232 120.589 120.300 0.095 0.000 2.286 442 Y HA -0.061 4.489 4.550 -0.000 0.000 0.293 442 Y C 2.081 178.009 175.900 0.046 0.000 1.124 442 Y CA 1.296 59.471 58.100 0.126 0.000 1.178 442 Y CB 0.094 38.660 38.460 0.178 0.000 1.010 442 Y HN 0.186 nan 8.280 nan 0.000 0.536 443 R N 0.952 121.543 120.500 0.152 0.000 2.339 443 R HA -0.037 4.303 4.340 -0.000 0.000 0.199 443 R C 0.235 176.453 176.300 -0.137 0.000 1.018 443 R CA 0.746 56.789 56.100 -0.095 0.000 1.036 443 R CB -0.382 29.626 30.300 -0.486 0.000 0.899 443 R HN 0.572 nan 8.270 nan 0.000 0.473 444 E N 0.282 120.465 120.200 -0.029 0.000 2.789 444 E HA 0.038 4.388 4.350 -0.000 0.000 0.208 444 E C -0.418 176.194 176.600 0.020 0.000 0.988 444 E CA -0.349 56.085 56.400 0.058 0.000 1.092 444 E CB 0.085 29.849 29.700 0.107 0.000 1.066 444 E HN 0.031 nan 8.360 nan 0.000 0.465 445 N N 2.105 120.765 118.700 -0.066 0.000 2.686 445 N HA -0.205 4.535 4.740 -0.000 0.000 0.249 445 N C -0.489 175.012 175.510 -0.016 0.000 1.082 445 N CA 0.701 53.683 53.050 -0.113 0.000 0.725 445 N CB -0.318 38.126 38.487 -0.073 0.000 1.009 445 N HN 0.001 nan 8.380 nan 0.000 0.545 446 K N 0.465 120.886 120.400 0.035 0.000 3.129 446 K HA 0.109 4.429 4.320 -0.000 0.000 0.224 446 K C 0.745 177.437 176.600 0.154 0.000 1.249 446 K CA -0.492 55.845 56.287 0.084 0.000 1.177 446 K CB -0.723 31.820 32.500 0.072 0.000 1.393 446 K HN 0.267 nan 8.250 nan 0.000 0.459 447 F N 1.808 121.767 119.950 0.016 0.000 2.271 447 F HA -0.264 4.263 4.527 -0.000 0.000 0.302 447 F C 1.216 177.088 175.800 0.120 0.000 1.063 447 F CA 1.645 59.711 58.000 0.109 0.000 1.362 447 F CB 0.300 39.354 39.000 0.090 0.000 1.060 447 F HN 0.283 nan 8.300 nan 0.000 0.521 448 D N 0.152 120.545 120.400 -0.012 0.000 2.075 448 D HA -0.195 4.445 4.640 -0.000 0.000 0.196 448 D C 1.842 178.079 176.300 -0.105 0.000 0.985 448 D CA 1.673 55.608 54.000 -0.108 0.000 0.834 448 D CB -0.642 40.150 40.800 -0.014 0.000 0.987 448 D HN 0.299 nan 8.370 nan 0.000 0.452 449 D N 0.510 120.892 120.400 -0.030 0.000 2.182 449 D HA -0.130 4.510 4.640 -0.000 0.000 0.201 449 D C 2.179 178.456 176.300 -0.039 0.000 0.986 449 D CA 0.475 54.461 54.000 -0.024 0.000 0.847 449 D CB -0.293 40.511 40.800 0.008 0.000 0.942 449 D HN 0.211 nan 8.370 nan 0.000 0.467 450 c N 1.099 119.694 118.600 -0.009 0.000 2.548 450 c HA -0.097 4.473 4.570 -0.000 0.000 0.284 450 c C 2.605 176.640 174.090 -0.091 0.000 1.252 450 c CA 1.333 57.683 56.329 0.034 0.000 1.725 450 c CB -0.972 41.704 42.510 0.277 0.000 2.098 450 c HN 0.364 nan 8.230 nan 0.000 0.471 451 E N -0.143 119.903 120.200 -0.257 0.000 2.197 451 E HA -0.305 4.044 4.350 -0.000 0.000 0.205 451 E C 2.015 178.492 176.600 -0.206 0.000 1.029 451 E CA 2.496 58.710 56.400 -0.310 0.000 0.828 451 E CB -0.090 29.247 29.700 -0.604 0.000 0.737 451 E HN 0.915 nan 8.360 nan 0.000 0.464 452 T N -1.589 112.872 114.554 -0.155 0.000 2.976 452 T HA -0.040 4.310 4.350 -0.000 0.000 0.257 452 T C 1.826 176.482 174.700 -0.074 0.000 1.051 452 T CA 0.406 62.454 62.100 -0.086 0.000 1.141 452 T CB -0.211 68.619 68.868 -0.063 0.000 0.881 452 T HN 0.083 nan 8.240 nan 0.000 0.461 453 L N 0.120 121.289 121.223 -0.091 0.000 2.131 453 L HA 0.280 4.620 4.340 -0.000 0.000 0.210 453 L C 2.113 178.902 176.870 -0.135 0.000 1.092 453 L CA 1.296 56.078 54.840 -0.096 0.000 0.759 453 L CB -0.945 41.044 42.059 -0.118 0.000 0.903 453 L HN 0.269 nan 8.230 nan 0.000 0.435 454 F N -1.469 118.298 119.950 -0.305 0.000 2.146 454 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 454 F C 2.843 178.493 175.800 -0.249 0.000 1.096 454 F CA 1.620 59.379 58.000 -0.401 0.000 1.275 454 F CB -0.250 38.129 39.000 -1.035 0.000 1.008 454 F HN 0.094 nan 8.300 nan 0.000 0.480 455 S N -0.201 115.491 115.700 -0.013 0.000 2.370 455 S HA -0.274 4.196 4.470 -0.000 0.000 0.226 455 S C 2.112 176.736 174.600 0.041 0.000 1.033 455 S CA 1.717 59.942 58.200 0.042 0.000 1.011 455 S CB -0.508 62.711 63.200 0.032 0.000 0.852 455 S HN 0.545 nan 8.310 nan 0.000 0.457 456 E N 0.364 120.577 120.200 0.021 0.000 2.049 456 E HA -0.175 4.175 4.350 -0.000 0.000 0.198 456 E C 1.922 178.557 176.600 0.059 0.000 1.007 456 E CA 1.334 57.754 56.400 0.033 0.000 0.809 456 E CB -0.401 29.325 29.700 0.043 0.000 0.749 456 E HN 0.614 nan 8.360 nan 0.000 0.450 457 A N 0.429 123.298 122.820 0.082 0.000 2.169 457 A HA -0.023 4.297 4.320 -0.000 0.000 0.212 457 A C 1.953 179.620 177.584 0.137 0.000 1.153 457 A CA 0.407 52.520 52.037 0.126 0.000 0.756 457 A CB -0.085 18.940 19.000 0.042 0.000 0.813 457 A HN 0.000 nan 8.150 nan 0.000 0.471 458 K N -0.150 120.317 120.400 0.113 0.000 2.288 458 K HA 0.047 4.367 4.320 -0.000 0.000 0.201 458 K C 1.660 178.304 176.600 0.073 0.000 1.048 458 K CA 0.751 57.111 56.287 0.121 0.000 0.956 458 K CB -0.095 32.490 32.500 0.142 0.000 0.746 458 K HN 0.472 nan 8.250 nan 0.000 0.461 459 R N -0.312 120.212 120.500 0.041 0.000 2.469 459 R HA 0.090 4.429 4.340 -0.000 0.000 0.250 459 R C 1.654 177.909 176.300 -0.075 0.000 0.909 459 R CA 0.077 56.173 56.100 -0.007 0.000 1.050 459 R CB 0.483 30.776 30.300 -0.012 0.000 1.256 459 R HN -0.056 nan 8.270 nan 0.000 0.550 460 K N -0.210 120.125 120.400 -0.108 0.000 2.155 460 K HA -0.026 4.294 4.320 -0.000 0.000 0.203 460 K C -0.289 175.918 176.600 -0.655 0.000 1.052 460 K CA 1.171 57.223 56.287 -0.391 0.000 0.948 460 K CB 0.215 32.422 32.500 -0.489 0.000 0.728 460 K HN -0.042 nan 8.250 nan 0.000 0.448 461 F N 1.167 121.012 119.950 -0.175 0.000 2.542 461 F HA 0.300 4.827 4.527 -0.000 0.000 0.323 461 F C -2.016 173.710 175.800 -0.125 0.000 1.411 461 F CA -2.326 55.575 58.000 -0.165 0.000 1.124 461 F CB 1.392 40.262 39.000 -0.217 0.000 1.331 461 F HN -0.025 nan 8.300 nan 0.000 0.560 462 P HA -0.157 nan 4.420 nan 0.000 0.249 462 P C 0.608 177.895 177.300 -0.022 0.000 1.227 462 P CA 1.241 64.336 63.100 -0.009 0.000 0.753 462 P CB 0.299 31.979 31.700 -0.034 0.000 0.966 463 E N -1.044 119.142 120.200 -0.023 0.000 2.606 463 E HA 0.234 4.584 4.350 -0.000 0.000 0.224 463 E C 0.115 176.646 176.600 -0.115 0.000 0.930 463 E CA -0.219 56.141 56.400 -0.067 0.000 1.125 463 E CB 0.574 30.233 29.700 -0.069 0.000 1.123 463 E HN 0.063 nan 8.360 nan 0.000 0.522 464 A N 2.002 124.771 122.820 -0.084 0.000 2.347 464 A HA 0.287 4.607 4.320 -0.000 0.000 0.287 464 A C -2.019 175.474 177.584 -0.152 0.000 1.199 464 A CA -1.172 50.776 52.037 -0.147 0.000 0.851 464 A CB 0.309 19.223 19.000 -0.143 0.000 1.118 464 A HN 0.023 nan 8.150 nan 0.000 0.525 465 P HA -0.110 nan 4.420 nan 0.000 0.222 465 P C 0.857 178.028 177.300 -0.216 0.000 1.147 465 P CA 1.036 64.039 63.100 -0.161 0.000 0.790 465 P CB 0.366 31.986 31.700 -0.133 0.000 0.780 466 E N -0.366 119.674 120.200 -0.268 0.000 2.007 466 E HA -0.165 4.185 4.350 -0.000 0.000 0.203 466 E C 2.061 178.494 176.600 -0.278 0.000 1.020 466 E CA 1.312 57.449 56.400 -0.438 0.000 0.845 466 E CB -1.589 27.836 29.700 -0.458 0.000 0.779 466 E HN -0.093 nan 8.360 nan 0.000 0.466 467 V N 1.444 121.318 119.914 -0.066 0.000 2.252 467 V HA -0.297 3.822 4.120 -0.000 0.000 0.255 467 V C -0.819 175.337 176.094 0.103 0.000 1.071 467 V CA 2.656 65.070 62.300 0.191 0.000 1.050 467 V CB -1.626 30.298 31.823 0.168 0.000 0.654 467 V HN 0.264 nan 8.190 nan 0.000 0.448 468 P HA -0.146 nan 4.420 nan 0.000 0.215 468 P C 1.658 178.809 177.300 -0.247 0.000 1.153 468 P CA 1.733 64.772 63.100 -0.101 0.000 0.853 468 P CB -0.180 31.458 31.700 -0.103 0.000 0.788 469 N N -1.015 117.499 118.700 -0.310 0.000 2.080 469 N HA -0.135 4.605 4.740 -0.000 0.000 0.189 469 N C 1.625 176.923 175.510 -0.353 0.000 1.036 469 N CA 1.433 54.203 53.050 -0.466 0.000 0.846 469 N CB -0.481 37.727 38.487 -0.465 0.000 1.015 469 N HN -0.058 nan 8.380 nan 0.000 0.423 470 F N 1.155 121.037 119.950 -0.113 0.000 2.060 470 F HA -0.001 4.526 4.527 -0.000 0.000 0.295 470 F C 2.441 178.152 175.800 -0.148 0.000 1.120 470 F CA 0.449 58.440 58.000 -0.016 0.000 1.205 470 F CB -1.539 37.590 39.000 0.215 0.000 0.986 470 F HN 0.006 nan 8.300 nan 0.000 0.470 471 F N 0.539 120.174 119.950 -0.524 0.000 2.184 471 F HA -0.304 4.223 4.527 -0.000 0.000 0.301 471 F C 2.259 177.728 175.800 -0.552 0.000 1.076 471 F CA 0.841 58.074 58.000 -1.278 0.000 1.295 471 F CB -0.059 38.016 39.000 -1.543 0.000 1.026 471 F HN 0.003 nan 8.300 nan 0.000 0.494 472 A N 1.179 123.755 122.820 -0.407 0.000 1.845 472 A HA -0.296 4.024 4.320 -0.000 0.000 0.215 472 A C 1.994 179.433 177.584 -0.241 0.000 1.195 472 A CA 1.858 53.611 52.037 -0.473 0.000 0.616 472 A CB -1.210 17.258 19.000 -0.886 0.000 0.832 472 A HN 0.663 nan 8.150 nan 0.000 0.443 473 E N -0.242 119.855 120.200 -0.172 0.000 2.209 473 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 473 E C 1.822 178.393 176.600 -0.049 0.000 0.993 473 E CA 1.492 57.917 56.400 0.041 0.000 0.819 473 E CB -0.433 29.343 29.700 0.127 0.000 0.745 473 E HN 0.648 nan 8.360 nan 0.000 0.477 474 I N 0.775 121.281 120.570 -0.106 0.000 2.500 474 I HA -0.170 4.000 4.170 -0.000 0.000 0.252 474 I C 2.374 178.378 176.117 -0.187 0.000 1.142 474 I CA 0.628 61.800 61.300 -0.214 0.000 1.451 474 I CB -0.055 37.839 38.000 -0.178 0.000 1.093 474 I HN 0.196 nan 8.210 nan 0.000 0.430 475 L N -0.255 120.863 121.223 -0.176 0.000 2.217 475 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 475 L C 2.566 179.318 176.870 -0.196 0.000 1.107 475 L CA 1.190 55.922 54.840 -0.180 0.000 0.783 475 L CB -0.692 41.180 42.059 -0.311 0.000 0.919 475 L HN 0.228 nan 8.230 nan 0.000 0.442 476 T N -0.881 113.554 114.554 -0.198 0.000 2.821 476 T HA -0.211 4.138 4.350 -0.000 0.000 0.267 476 T C 1.651 176.177 174.700 -0.291 0.000 1.046 476 T CA 1.564 63.476 62.100 -0.313 0.000 1.139 476 T CB -0.097 68.671 68.868 -0.166 0.000 0.871 476 T HN 0.390 nan 8.240 nan 0.000 0.454 477 D N 0.588 120.897 120.400 -0.152 0.000 2.077 477 D HA -0.109 4.530 4.640 -0.000 0.000 0.196 477 D C 1.981 178.279 176.300 -0.005 0.000 0.986 477 D CA 1.166 55.127 54.000 -0.065 0.000 0.829 477 D CB -0.207 40.563 40.800 -0.050 0.000 0.983 477 D HN 0.146 nan 8.370 nan 0.000 0.453 478 K N 0.888 121.305 120.400 0.028 0.000 2.585 478 K HA -0.035 4.285 4.320 -0.000 0.000 0.194 478 K C -0.086 176.498 176.600 -0.026 0.000 1.037 478 K CA 0.320 56.623 56.287 0.026 0.000 0.964 478 K CB -0.875 31.585 32.500 -0.067 0.000 0.787 478 K HN 0.324 nan 8.250 nan 0.000 0.488 479 N N 0.887 119.563 118.700 -0.039 0.000 2.780 479 N HA -0.164 4.576 4.740 -0.000 0.000 0.248 479 N C -1.375 174.266 175.510 0.218 0.000 1.102 479 N CA 0.582 53.697 53.050 0.108 0.000 0.697 479 N CB -0.757 37.928 38.487 0.330 0.000 1.028 479 N HN 0.251 nan 8.380 nan 0.000 0.554 480 D N 0.049 120.456 120.400 0.012 0.000 3.139 480 D HA 0.153 4.793 4.640 -0.000 0.000 0.268 480 D C 0.898 177.245 176.300 0.078 0.000 1.322 480 D CA -0.351 53.693 54.000 0.073 0.000 0.940 480 D CB -0.235 40.565 40.800 -0.002 0.000 1.050 480 D HN 0.210 nan 8.370 nan 0.000 0.503 481 F N 0.722 120.661 119.950 -0.018 0.000 2.085 481 F HA -0.259 4.268 4.527 -0.000 0.000 0.299 481 F C 2.201 177.991 175.800 -0.016 0.000 1.096 481 F CA 1.319 59.310 58.000 -0.015 0.000 1.227 481 F CB -0.583 38.409 39.000 -0.013 0.000 0.983 481 F HN 0.162 nan 8.300 nan 0.000 0.482 482 D N -0.318 120.198 120.400 0.193 0.000 2.149 482 D HA -0.149 4.491 4.640 -0.000 0.000 0.198 482 D C 2.083 178.410 176.300 0.045 0.000 0.990 482 D CA 1.286 55.344 54.000 0.096 0.000 0.839 482 D CB 0.100 40.945 40.800 0.075 0.000 0.948 482 D HN -0.019 nan 8.370 nan 0.000 0.460 483 K N -0.085 120.327 120.400 0.020 0.000 2.099 483 K HA 0.208 4.528 4.320 -0.000 0.000 0.203 483 K C 2.106 178.654 176.600 -0.088 0.000 1.047 483 K CA 0.883 57.145 56.287 -0.041 0.000 0.963 483 K CB -0.787 31.674 32.500 -0.064 0.000 0.759 483 K HN 0.121 nan 8.250 nan 0.000 0.451 484 A N 1.904 124.664 122.820 -0.101 0.000 2.032 484 A HA -0.143 4.177 4.320 -0.000 0.000 0.221 484 A C 2.199 179.832 177.584 0.081 0.000 1.165 484 A CA 1.205 53.192 52.037 -0.083 0.000 0.645 484 A CB -0.651 18.288 19.000 -0.102 0.000 0.807 484 A HN 0.251 nan 8.150 nan 0.000 0.453 485 L N -1.036 120.212 121.223 0.041 0.000 2.072 485 L HA -0.153 4.187 4.340 -0.000 0.000 0.205 485 L C 2.459 179.368 176.870 0.065 0.000 1.079 485 L CA 1.680 56.553 54.840 0.054 0.000 0.752 485 L CB -0.251 41.829 42.059 0.034 0.000 0.906 485 L HN 0.355 nan 8.230 nan 0.000 0.436 486 K N -0.878 119.537 120.400 0.024 0.000 2.025 486 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 486 K C 2.118 178.717 176.600 -0.002 0.000 1.049 486 K CA 1.023 57.315 56.287 0.008 0.000 0.933 486 K CB -0.135 32.357 32.500 -0.012 0.000 0.714 486 K HN 0.286 nan 8.250 nan 0.000 0.438 487 Q N 0.201 119.970 119.800 -0.052 0.000 2.077 487 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 487 Q C 2.099 178.042 176.000 -0.095 0.000 0.989 487 Q CA 1.769 57.499 55.803 -0.122 0.000 0.853 487 Q CB -0.534 28.037 28.738 -0.280 0.000 0.907 487 Q HN 0.431 nan 8.270 nan 0.000 0.418 488 Y N 1.086 121.329 120.300 -0.094 0.000 2.097 488 Y HA -0.262 4.288 4.550 -0.000 0.000 0.282 488 Y C 2.304 178.174 175.900 -0.050 0.000 1.152 488 Y CA 1.797 59.856 58.100 -0.068 0.000 1.136 488 Y CB -0.444 37.983 38.460 -0.056 0.000 0.975 488 Y HN 0.242 nan 8.280 nan 0.000 0.498 489 D N -0.348 120.129 120.400 0.128 0.000 2.158 489 D HA -0.191 4.448 4.640 -0.000 0.000 0.197 489 D C 2.138 178.451 176.300 0.021 0.000 0.995 489 D CA 0.867 54.904 54.000 0.061 0.000 0.846 489 D CB -0.254 40.570 40.800 0.040 0.000 0.941 489 D HN 0.173 nan 8.370 nan 0.000 0.456 490 L N 0.242 121.465 121.223 -0.001 0.000 2.056 490 L HA -0.021 4.319 4.340 -0.000 0.000 0.207 490 L C 2.236 179.084 176.870 -0.037 0.000 1.078 490 L CA 1.891 56.718 54.840 -0.022 0.000 0.749 490 L CB -1.382 40.658 42.059 -0.032 0.000 0.901 490 L HN 0.153 nan 8.230 nan 0.000 0.433 491 A N 0.272 123.056 122.820 -0.060 0.000 1.877 491 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 491 A C 2.173 179.732 177.584 -0.042 0.000 1.186 491 A CA 1.750 53.737 52.037 -0.084 0.000 0.620 491 A CB -0.670 18.239 19.000 -0.151 0.000 0.822 491 A HN 0.489 nan 8.150 nan 0.000 0.443 492 I N -0.442 120.127 120.570 -0.002 0.000 2.335 492 I HA -0.277 3.893 4.170 -0.000 0.000 0.251 492 I C 2.486 178.604 176.117 0.003 0.000 1.129 492 I CA 1.788 63.098 61.300 0.018 0.000 1.402 492 I CB -0.372 37.654 38.000 0.043 0.000 1.069 492 I HN 0.579 nan 8.210 nan 0.000 0.424 493 E N 1.762 121.957 120.200 -0.007 0.000 2.005 493 E HA -0.162 4.187 4.350 -0.000 0.000 0.191 493 E C 2.378 178.962 176.600 -0.028 0.000 0.987 493 E CA 0.914 57.306 56.400 -0.013 0.000 0.814 493 E CB -0.090 29.602 29.700 -0.014 0.000 0.772 493 E HN 0.393 nan 8.360 nan 0.000 0.453 494 L N 1.242 122.439 121.223 -0.043 0.000 2.197 494 L HA -0.215 4.125 4.340 -0.000 0.000 0.215 494 L C 2.699 179.520 176.870 -0.082 0.000 1.095 494 L CA 0.819 55.619 54.840 -0.067 0.000 0.764 494 L CB -0.672 41.338 42.059 -0.082 0.000 0.897 494 L HN 0.281 nan 8.230 nan 0.000 0.436 495 E N 1.532 121.698 120.200 -0.057 0.000 1.992 495 E HA -0.220 4.130 4.350 -0.000 0.000 0.202 495 E C 1.689 178.282 176.600 -0.013 0.000 1.007 495 E CA 1.911 58.291 56.400 -0.035 0.000 0.857 495 E CB -0.545 29.154 29.700 -0.001 0.000 0.796 495 E HN 0.709 nan 8.360 nan 0.000 0.486 496 N N 0.819 119.523 118.700 0.007 0.000 2.513 496 N HA -0.192 4.548 4.740 -0.000 0.000 0.187 496 N C 1.715 177.227 175.510 0.003 0.000 1.056 496 N CA 0.678 53.739 53.050 0.018 0.000 0.907 496 N CB -0.195 38.304 38.487 0.020 0.000 0.954 496 N HN 0.062 nan 8.380 nan 0.000 0.445 497 K N 0.721 121.110 120.400 -0.018 0.000 2.362 497 K HA 0.002 4.322 4.320 -0.000 0.000 0.200 497 K C 0.088 176.670 176.600 -0.031 0.000 1.046 497 K CA 0.468 56.739 56.287 -0.027 0.000 0.952 497 K CB 0.092 32.566 32.500 -0.042 0.000 0.753 497 K HN 0.237 nan 8.250 nan 0.000 0.466 498 L N 0.983 122.184 121.223 -0.036 0.000 2.342 498 L HA 0.253 4.593 4.340 -0.000 0.000 0.271 498 L C 0.018 176.915 176.870 0.046 0.000 1.008 498 L CA -0.941 53.883 54.840 -0.026 0.000 0.818 498 L CB 1.784 43.764 42.059 -0.132 0.000 1.296 498 L HN 0.036 nan 8.230 nan 0.000 0.427 499 D N -0.198 120.244 120.400 0.071 0.000 2.336 499 D HA 0.065 4.705 4.640 -0.000 0.000 0.229 499 D C 1.133 177.517 176.300 0.140 0.000 1.061 499 D CA 0.069 54.121 54.000 0.086 0.000 0.875 499 D CB 0.248 41.084 40.800 0.060 0.000 0.904 499 D HN 0.567 nan 8.370 nan 0.000 0.525 500 G N 0.296 109.250 108.800 0.257 0.000 3.107 500 G HA2 0.220 4.180 3.960 -0.000 0.000 0.155 500 G HA3 0.220 4.180 3.960 -0.000 0.000 0.155 500 G C 0.619 175.677 174.900 0.264 0.000 1.875 500 G CA 0.068 45.384 45.100 0.360 0.000 1.004 500 G HN 0.216 nan 8.290 nan 0.000 0.480 501 I N -2.317 118.464 120.570 0.351 0.000 5.409 501 I HA 0.168 4.338 4.170 -0.000 0.000 0.367 501 I C -0.508 175.793 176.117 0.307 0.000 1.127 501 I CA -0.314 61.132 61.300 0.244 0.000 1.619 501 I CB -0.672 37.427 38.000 0.164 0.000 2.019 501 I HN 0.288 nan 8.210 nan 0.000 0.684 502 Y N 3.047 123.410 120.300 0.106 0.000 3.161 502 Y HA -0.075 4.475 4.550 -0.000 0.000 0.370 502 Y C 1.672 177.587 175.900 0.025 0.000 1.199 502 Y CA 0.643 58.790 58.100 0.078 0.000 1.581 502 Y CB -0.732 37.746 38.460 0.031 0.000 1.076 502 Y HN 0.015 nan 8.280 nan 0.000 0.602 503 V N 1.866 121.873 119.914 0.155 0.000 5.479 503 V HA -0.347 3.772 4.120 -0.000 0.000 0.289 503 V C 1.661 177.797 176.094 0.070 0.000 0.595 503 V CA 0.881 63.203 62.300 0.038 0.000 0.649 503 V CB -2.008 29.760 31.823 -0.092 0.000 0.390 503 V HN 1.327 nan 8.190 nan 0.000 0.974 504 G N 0.667 109.534 108.800 0.111 0.000 2.248 504 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.168 504 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.168 504 G C 0.900 175.851 174.900 0.084 0.000 1.581 504 G CA 0.888 46.051 45.100 0.105 0.000 0.954 504 G HN 0.526 nan 8.290 nan 0.000 0.385 505 I N 2.421 123.040 120.570 0.083 0.000 2.530 505 I HA -0.114 4.056 4.170 -0.000 0.000 0.257 505 I C 3.109 179.277 176.117 0.085 0.000 1.179 505 I CA 0.955 62.300 61.300 0.074 0.000 1.440 505 I CB -0.913 37.127 38.000 0.067 0.000 1.087 505 I HN 0.387 nan 8.210 nan 0.000 0.440 506 A N 1.313 124.189 122.820 0.093 0.000 1.873 506 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 506 A C 0.389 178.077 177.584 0.173 0.000 1.269 506 A CA 2.637 54.745 52.037 0.119 0.000 0.671 506 A CB -2.321 16.731 19.000 0.087 0.000 0.842 506 A HN 0.302 nan 8.150 nan 0.000 0.460 507 P HA -0.173 nan 4.420 nan 0.000 0.215 507 P C 1.563 178.998 177.300 0.226 0.000 1.157 507 P CA 1.304 64.587 63.100 0.305 0.000 0.874 507 P CB -0.219 31.577 31.700 0.159 0.000 0.790 508 L N -1.255 120.035 121.223 0.113 0.000 1.990 508 L HA -0.192 4.148 4.340 -0.000 0.000 0.213 508 L C 2.390 179.267 176.870 0.013 0.000 1.072 508 L CA 1.680 56.551 54.840 0.052 0.000 0.755 508 L CB -1.408 40.676 42.059 0.042 0.000 0.889 508 L HN -0.105 nan 8.230 nan 0.000 0.432 509 V N 0.210 120.144 119.914 0.034 0.000 2.358 509 V HA -0.175 3.945 4.120 -0.000 0.000 0.246 509 V C 2.639 178.713 176.094 -0.033 0.000 1.047 509 V CA 1.927 64.233 62.300 0.011 0.000 1.035 509 V CB -1.242 30.605 31.823 0.041 0.000 0.658 509 V HN 0.586 nan 8.190 nan 0.000 0.452 510 G N -0.388 108.420 108.800 0.014 0.000 2.450 510 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.220 510 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.220 510 G C 1.635 176.065 174.900 -0.784 0.000 1.130 510 G CA 1.166 46.191 45.100 -0.126 0.000 0.760 510 G HN 0.515 nan 8.290 nan 0.000 0.557 511 K N 0.474 120.471 120.400 -0.672 0.000 2.007 511 K HA 0.157 4.477 4.320 -0.000 0.000 0.206 511 K C 2.832 179.258 176.600 -0.291 0.000 1.047 511 K CA 1.095 57.022 56.287 -0.600 0.000 0.937 511 K CB -0.385 31.961 32.500 -0.256 0.000 0.718 511 K HN 0.133 nan 8.250 nan 0.000 0.438 512 A N 0.969 123.696 122.820 -0.155 0.000 1.997 512 A HA -0.199 4.121 4.320 -0.000 0.000 0.221 512 A C 2.125 179.680 177.584 -0.048 0.000 1.172 512 A CA 2.361 54.359 52.037 -0.065 0.000 0.645 512 A CB -1.195 17.784 19.000 -0.036 0.000 0.813 512 A HN 0.518 nan 8.150 nan 0.000 0.454 513 T N 0.949 115.448 114.554 -0.092 0.000 2.569 513 T HA -0.181 4.169 4.350 -0.000 0.000 0.263 513 T C 1.760 176.449 174.700 -0.018 0.000 1.074 513 T CA 2.025 64.099 62.100 -0.044 0.000 1.176 513 T CB -0.678 68.152 68.868 -0.064 0.000 0.863 513 T HN 0.686 nan 8.240 nan 0.000 0.410 514 L N 0.412 121.578 121.223 -0.095 0.000 2.349 514 L HA 0.084 4.424 4.340 -0.000 0.000 0.220 514 L C 2.011 178.924 176.870 0.071 0.000 1.130 514 L CA 1.326 56.156 54.840 -0.015 0.000 0.791 514 L CB -1.455 40.522 42.059 -0.136 0.000 0.918 514 L HN 0.207 nan 8.230 nan 0.000 0.444 515 L N 0.144 121.378 121.223 0.018 0.000 2.034 515 L HA -0.113 4.227 4.340 -0.000 0.000 0.203 515 L C 2.813 179.727 176.870 0.074 0.000 1.074 515 L CA 1.685 56.548 54.840 0.039 0.000 0.748 515 L CB -0.932 41.141 42.059 0.023 0.000 0.905 515 L HN 0.553 nan 8.230 nan 0.000 0.439 516 T N -2.620 112.018 114.554 0.140 0.000 2.897 516 T HA -0.263 4.087 4.350 -0.000 0.000 0.271 516 T C 1.896 176.702 174.700 0.177 0.000 1.084 516 T CA 1.032 63.298 62.100 0.277 0.000 1.123 516 T CB -0.377 68.672 68.868 0.301 0.000 0.865 516 T HN 0.032 nan 8.240 nan 0.000 0.496 517 R N 2.322 122.908 120.500 0.145 0.000 2.226 517 R HA 0.023 4.363 4.340 -0.000 0.000 0.246 517 R C 0.593 176.946 176.300 0.088 0.000 1.161 517 R CA 1.001 57.202 56.100 0.167 0.000 0.997 517 R CB -0.522 29.945 30.300 0.278 0.000 0.870 517 R HN 0.507 nan 8.270 nan 0.000 0.465 518 N N -0.116 118.590 118.700 0.010 0.000 2.690 518 N HA 0.169 4.909 4.740 -0.000 0.000 0.255 518 N C -2.858 172.506 175.510 -0.244 0.000 1.195 518 N CA -2.094 50.902 53.050 -0.090 0.000 0.790 518 N CB 1.389 39.822 38.487 -0.090 0.000 1.216 518 N HN -0.065 nan 8.380 nan 0.000 0.528 519 P HA 0.067 nan 4.420 nan 0.000 0.261 519 P C -0.823 176.058 177.300 -0.697 0.000 1.183 519 P CA 0.359 62.873 63.100 -0.977 0.000 0.761 519 P CB 0.649 31.971 31.700 -0.629 0.000 0.785 520 T N 1.911 115.990 114.554 -0.792 0.000 3.032 520 T HA 0.158 4.508 4.350 -0.000 0.000 0.312 520 T C 1.410 175.989 174.700 -0.201 0.000 1.078 520 T CA -0.497 61.396 62.100 -0.345 0.000 1.028 520 T CB 1.545 70.287 68.868 -0.210 0.000 1.091 520 T HN 0.240 nan 8.240 nan 0.000 0.457 521 V N 1.752 121.622 119.914 -0.074 0.000 2.311 521 V HA -0.316 3.804 4.120 -0.000 0.000 0.259 521 V C 1.676 177.799 176.094 0.048 0.000 1.086 521 V CA 2.058 64.374 62.300 0.026 0.000 1.078 521 V CB -0.849 30.992 31.823 0.030 0.000 0.668 521 V HN 0.921 nan 8.190 nan 0.000 0.452 522 E N 0.469 120.677 120.200 0.013 0.000 2.038 522 E HA -0.066 4.283 4.350 -0.000 0.000 0.190 522 E C 2.344 178.966 176.600 0.037 0.000 0.967 522 E CA 0.677 57.093 56.400 0.027 0.000 0.816 522 E CB -0.535 29.172 29.700 0.012 0.000 0.784 522 E HN 0.566 nan 8.360 nan 0.000 0.456 523 N N 1.163 119.856 118.700 -0.011 0.000 2.111 523 N HA -0.243 4.497 4.740 -0.000 0.000 0.197 523 N C 1.574 177.148 175.510 0.106 0.000 1.011 523 N CA 1.483 54.530 53.050 -0.005 0.000 0.880 523 N CB -0.328 38.103 38.487 -0.094 0.000 1.031 523 N HN 0.164 nan 8.380 nan 0.000 0.444 524 F N -0.106 119.839 119.950 -0.009 0.000 2.216 524 F HA -0.190 4.337 4.527 -0.000 0.000 0.300 524 F C 2.360 178.148 175.800 -0.019 0.000 1.085 524 F CA 0.155 58.146 58.000 -0.015 0.000 1.326 524 F CB -0.024 38.968 39.000 -0.013 0.000 1.027 524 F HN 0.082 nan 8.300 nan 0.000 0.497 525 I N 0.594 121.273 120.570 0.181 0.000 2.353 525 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 525 I C 2.261 178.412 176.117 0.057 0.000 1.119 525 I CA 1.491 62.841 61.300 0.084 0.000 1.417 525 I CB -0.523 37.513 38.000 0.060 0.000 1.078 525 I HN 0.090 nan 8.210 nan 0.000 0.421 526 E N 0.419 120.657 120.200 0.062 0.000 2.058 526 E HA -0.264 4.086 4.350 -0.000 0.000 0.194 526 E C 2.179 178.799 176.600 0.033 0.000 0.997 526 E CA 1.382 57.804 56.400 0.038 0.000 0.801 526 E CB -0.191 29.528 29.700 0.031 0.000 0.746 526 E HN 0.585 nan 8.360 nan 0.000 0.450 527 A N 0.216 123.070 122.820 0.057 0.000 1.832 527 A HA -0.190 4.130 4.320 -0.000 0.000 0.214 527 A C 2.463 180.049 177.584 0.003 0.000 1.200 527 A CA 2.213 54.273 52.037 0.038 0.000 0.610 527 A CB -1.369 17.684 19.000 0.089 0.000 0.842 527 A HN 0.420 nan 8.150 nan 0.000 0.444 528 T N -0.366 114.183 114.554 -0.009 0.000 2.822 528 T HA -0.190 4.160 4.350 -0.000 0.000 0.270 528 T C 1.859 176.539 174.700 -0.033 0.000 1.064 528 T CA 1.910 63.979 62.100 -0.052 0.000 1.131 528 T CB -0.669 68.153 68.868 -0.076 0.000 0.858 528 T HN 0.488 nan 8.240 nan 0.000 0.483 529 N N 0.390 119.084 118.700 -0.011 0.000 2.109 529 N HA 0.062 4.802 4.740 -0.000 0.000 0.188 529 N C 2.000 177.505 175.510 -0.008 0.000 1.034 529 N CA 1.085 54.130 53.050 -0.007 0.000 0.846 529 N CB -0.383 38.106 38.487 0.003 0.000 1.010 529 N HN 0.398 nan 8.380 nan 0.000 0.425 530 L N 1.164 122.384 121.223 -0.005 0.000 2.012 530 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 530 L C 2.427 179.292 176.870 -0.008 0.000 1.073 530 L CA 0.940 55.778 54.840 -0.004 0.000 0.748 530 L CB -0.487 41.568 42.059 -0.007 0.000 0.891 530 L HN 0.158 nan 8.230 nan 0.000 0.431 531 L N -0.642 120.569 121.223 -0.020 0.000 2.012 531 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 531 L C 2.531 179.385 176.870 -0.026 0.000 1.073 531 L CA 1.423 56.247 54.840 -0.027 0.000 0.748 531 L CB -0.541 41.488 42.059 -0.049 0.000 0.891 531 L HN 0.301 nan 8.230 nan 0.000 0.431 532 E N 0.128 120.308 120.200 -0.032 0.000 2.070 532 E HA -0.306 4.044 4.350 -0.000 0.000 0.197 532 E C 2.211 178.802 176.600 -0.014 0.000 1.004 532 E CA 1.794 58.177 56.400 -0.029 0.000 0.805 532 E CB -0.006 29.676 29.700 -0.030 0.000 0.744 532 E HN 0.275 nan 8.360 nan 0.000 0.451 533 K N 0.331 120.727 120.400 -0.006 0.000 1.978 533 K HA -0.205 4.115 4.320 -0.000 0.000 0.214 533 K C 2.185 178.791 176.600 0.010 0.000 1.049 533 K CA 1.392 57.681 56.287 0.004 0.000 0.939 533 K CB -0.291 32.214 32.500 0.008 0.000 0.721 533 K HN 0.119 nan 8.250 nan 0.000 0.441 534 A N 0.863 123.690 122.820 0.012 0.000 1.915 534 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 534 A C 2.211 179.806 177.584 0.019 0.000 1.198 534 A CA 2.582 54.632 52.037 0.020 0.000 0.647 534 A CB -1.203 17.809 19.000 0.020 0.000 0.825 534 A HN 0.543 nan 8.150 nan 0.000 0.456 535 S N -1.759 113.945 115.700 0.006 0.000 2.595 535 S HA -0.060 4.410 4.470 -0.000 0.000 0.235 535 S C 1.842 176.447 174.600 0.008 0.000 0.974 535 S CA 1.286 59.488 58.200 0.003 0.000 0.942 535 S CB -0.274 62.918 63.200 -0.014 0.000 0.766 535 S HN 0.436 nan 8.310 nan 0.000 0.536 536 K N 0.370 120.777 120.400 0.011 0.000 2.244 536 K HA 0.259 4.579 4.320 -0.000 0.000 0.200 536 K C 1.482 178.096 176.600 0.023 0.000 1.052 536 K CA 0.476 56.771 56.287 0.013 0.000 0.980 536 K CB -0.257 32.249 32.500 0.009 0.000 0.838 536 K HN 0.337 nan 8.250 nan 0.000 0.481 537 L N 0.715 121.956 121.223 0.030 0.000 2.270 537 L HA 0.043 4.383 4.340 -0.000 0.000 0.210 537 L C 0.581 177.481 176.870 0.051 0.000 1.104 537 L CA 1.115 55.980 54.840 0.042 0.000 0.804 537 L CB 0.028 42.115 42.059 0.047 0.000 0.937 537 L HN -0.051 nan 8.230 nan 0.000 0.450 538 D N -1.440 118.988 120.400 0.046 0.000 2.443 538 D HA 0.218 4.858 4.640 -0.000 0.000 0.281 538 D C -1.941 174.382 176.300 0.039 0.000 1.210 538 D CA -1.474 52.557 54.000 0.051 0.000 0.875 538 D CB 1.426 42.260 40.800 0.057 0.000 1.125 538 D HN -0.084 nan 8.370 nan 0.000 0.503 539 P HA -0.044 nan 4.420 nan 0.000 0.220 539 P C 1.050 178.366 177.300 0.027 0.000 1.148 539 P CA 0.687 63.803 63.100 0.026 0.000 0.803 539 P CB 0.312 32.028 31.700 0.026 0.000 0.782 540 R N -0.737 119.784 120.500 0.034 0.000 2.319 540 R HA 0.133 4.473 4.340 -0.000 0.000 0.204 540 R C 0.717 177.035 176.300 0.030 0.000 0.954 540 R CA 0.282 56.402 56.100 0.033 0.000 1.066 540 R CB -0.441 29.881 30.300 0.038 0.000 0.991 540 R HN 0.112 nan 8.270 nan 0.000 0.486 541 S N 1.423 117.141 115.700 0.031 0.000 2.399 541 S HA 0.046 4.516 4.470 -0.000 0.000 0.301 541 S C 1.073 175.690 174.600 0.027 0.000 1.093 541 S CA -0.563 57.656 58.200 0.032 0.000 1.077 541 S CB 1.247 64.469 63.200 0.037 0.000 0.980 541 S HN 0.281 nan 8.310 nan 0.000 0.494 542 E N 3.506 123.725 120.200 0.032 0.000 2.072 542 E HA -0.152 4.197 4.350 -0.000 0.000 0.190 542 E C 1.490 178.110 176.600 0.034 0.000 0.982 542 E CA 0.648 57.069 56.400 0.034 0.000 0.803 542 E CB -0.115 29.613 29.700 0.047 0.000 0.755 542 E HN 0.750 nan 8.360 nan 0.000 0.453 543 Q N 0.120 119.945 119.800 0.042 0.000 2.197 543 Q HA -0.229 4.111 4.340 -0.000 0.000 0.211 543 Q C 1.888 177.903 176.000 0.024 0.000 0.993 543 Q CA 1.789 57.618 55.803 0.044 0.000 0.883 543 Q CB -0.217 28.554 28.738 0.055 0.000 0.916 543 Q HN 0.388 nan 8.270 nan 0.000 0.418 544 A N -0.104 122.725 122.820 0.015 0.000 1.878 544 A HA -0.115 4.205 4.320 -0.000 0.000 0.213 544 A C 2.085 179.650 177.584 -0.032 0.000 1.192 544 A CA 1.373 53.407 52.037 -0.004 0.000 0.619 544 A CB -0.258 18.744 19.000 0.003 0.000 0.837 544 A HN 0.160 nan 8.150 nan 0.000 0.446 545 K N 0.724 121.109 120.400 -0.026 0.000 2.001 545 K HA -0.169 4.151 4.320 -0.000 0.000 0.214 545 K C 1.809 178.347 176.600 -0.103 0.000 1.050 545 K CA 2.086 58.341 56.287 -0.054 0.000 0.934 545 K CB -0.740 31.747 32.500 -0.022 0.000 0.718 545 K HN 0.668 nan 8.250 nan 0.000 0.443 546 I N -2.355 118.184 120.570 -0.051 0.000 2.208 546 I HA -0.157 4.013 4.170 -0.000 0.000 0.245 546 I C 2.119 178.137 176.117 -0.164 0.000 1.097 546 I CA 1.910 63.168 61.300 -0.071 0.000 1.363 546 I CB -1.314 36.737 38.000 0.085 0.000 1.051 546 I HN 0.152 nan 8.210 nan 0.000 0.413 547 G N 2.225 110.966 108.800 -0.099 0.000 2.529 547 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 547 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 547 G C 1.721 176.508 174.900 -0.187 0.000 1.177 547 G CA 1.423 46.456 45.100 -0.111 0.000 0.773 547 G HN 0.442 nan 8.290 nan 0.000 0.573 548 L N 0.545 121.655 121.223 -0.189 0.000 2.017 548 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 548 L C 3.497 180.164 176.870 -0.338 0.000 1.073 548 L CA 1.105 55.812 54.840 -0.221 0.000 0.745 548 L CB -0.542 41.415 42.059 -0.170 0.000 0.894 548 L HN 0.346 nan 8.230 nan 0.000 0.432 549 A N -0.609 121.927 122.820 -0.473 0.000 1.917 549 A HA -0.320 3.999 4.320 -0.000 0.000 0.219 549 A C 2.165 179.220 177.584 -0.882 0.000 1.182 549 A CA 2.050 53.577 52.037 -0.851 0.000 0.633 549 A CB -0.543 17.597 19.000 -1.432 0.000 0.819 549 A HN 0.395 nan 8.150 nan 0.000 0.448 550 Q N -1.192 118.230 119.800 -0.630 0.000 2.050 550 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 550 Q C 2.150 177.949 176.000 -0.336 0.000 0.980 550 Q CA 1.766 57.348 55.803 -0.368 0.000 0.840 550 Q CB -0.298 28.294 28.738 -0.244 0.000 0.898 550 Q HN 0.593 nan 8.270 nan 0.000 0.424 551 M N 0.204 119.587 119.600 -0.361 0.000 2.084 551 M HA -0.166 4.314 4.480 -0.000 0.000 0.259 551 M C 1.747 177.843 176.300 -0.339 0.000 1.072 551 M CA 1.615 56.665 55.300 -0.417 0.000 1.107 551 M CB -0.959 31.432 32.600 -0.348 0.000 1.299 551 M HN 0.062 nan 8.290 nan 0.000 0.413 552 K N 0.406 120.638 120.400 -0.280 0.000 2.360 552 K HA -0.073 4.247 4.320 -0.000 0.000 0.201 552 K C 1.916 178.414 176.600 -0.171 0.000 1.046 552 K CA 0.694 56.856 56.287 -0.208 0.000 0.940 552 K CB -0.726 31.657 32.500 -0.195 0.000 0.748 552 K HN 0.353 nan 8.250 nan 0.000 0.465 553 L N 0.893 122.001 121.223 -0.192 0.000 2.209 553 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 553 L C 2.163 178.992 176.870 -0.068 0.000 1.094 553 L CA 1.501 56.289 54.840 -0.087 0.000 0.790 553 L CB -0.303 41.747 42.059 -0.014 0.000 0.932 553 L HN 0.208 nan 8.230 nan 0.000 0.447 554 Q N 0.286 120.008 119.800 -0.129 0.000 2.187 554 Q HA -0.194 4.146 4.340 -0.000 0.000 0.199 554 Q C 1.337 177.296 176.000 -0.070 0.000 0.957 554 Q CA 0.976 56.723 55.803 -0.092 0.000 0.857 554 Q CB 0.068 28.702 28.738 -0.174 0.000 0.929 554 Q HN 0.512 nan 8.270 nan 0.000 0.453 555 Q N 0.798 120.530 119.800 -0.113 0.000 2.307 555 Q HA 0.013 4.353 4.340 -0.000 0.000 0.216 555 Q C -0.481 175.494 176.000 -0.041 0.000 0.931 555 Q CA 0.134 55.895 55.803 -0.069 0.000 0.953 555 Q CB 0.023 28.703 28.738 -0.096 0.000 1.006 555 Q HN 0.297 nan 8.270 nan 0.000 0.472 556 E N -0.706 119.477 120.200 -0.028 0.000 3.313 556 E HA -0.262 4.088 4.350 -0.000 0.000 0.283 556 E C -0.669 175.920 176.600 -0.018 0.000 0.941 556 E CA 0.831 57.223 56.400 -0.014 0.000 0.907 556 E CB -0.514 29.182 29.700 -0.006 0.000 1.458 556 E HN 0.487 nan 8.360 nan 0.000 0.463 557 D N 0.746 121.124 120.400 -0.035 0.000 2.870 557 D HA 0.010 4.649 4.640 -0.000 0.000 0.241 557 D C 1.726 178.008 176.300 -0.030 0.000 1.234 557 D CA 0.045 54.023 54.000 -0.036 0.000 0.844 557 D CB -0.274 40.493 40.800 -0.055 0.000 1.051 557 D HN 0.342 nan 8.370 nan 0.000 0.469 558 I N -1.088 119.478 120.570 -0.008 0.000 2.181 558 I HA -0.313 3.857 4.170 -0.000 0.000 0.247 558 I C 1.549 177.679 176.117 0.021 0.000 1.081 558 I CA 1.776 63.088 61.300 0.019 0.000 1.340 558 I CB -0.727 37.293 38.000 0.033 0.000 1.036 558 I HN -0.057 nan 8.210 nan 0.000 0.417 559 D N 1.133 121.538 120.400 0.008 0.000 2.104 559 D HA -0.226 4.414 4.640 -0.000 0.000 0.194 559 D C 2.112 178.410 176.300 -0.004 0.000 0.994 559 D CA 2.057 56.062 54.000 0.008 0.000 0.830 559 D CB -0.086 40.715 40.800 0.002 0.000 0.959 559 D HN 0.636 nan 8.370 nan 0.000 0.452 560 E N 0.140 120.325 120.200 -0.025 0.000 2.051 560 E HA -0.114 4.235 4.350 -0.000 0.000 0.192 560 E C 2.209 178.764 176.600 -0.076 0.000 0.991 560 E CA 0.988 57.359 56.400 -0.048 0.000 0.799 560 E CB -0.189 29.474 29.700 -0.063 0.000 0.748 560 E HN 0.304 nan 8.360 nan 0.000 0.449 561 A N 1.528 124.295 122.820 -0.088 0.000 1.892 561 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 561 A C 2.210 179.756 177.584 -0.065 0.000 1.188 561 A CA 1.406 53.348 52.037 -0.159 0.000 0.631 561 A CB -0.795 18.154 19.000 -0.085 0.000 0.822 561 A HN 0.154 nan 8.150 nan 0.000 0.447 562 I N -0.678 119.938 120.570 0.076 0.000 2.069 562 I HA -0.297 3.873 4.170 -0.000 0.000 0.237 562 I C 2.661 178.841 176.117 0.106 0.000 1.053 562 I CA 2.040 63.435 61.300 0.159 0.000 1.311 562 I CB -1.056 37.007 38.000 0.105 0.000 1.030 562 I HN 0.284 nan 8.210 nan 0.000 0.398 563 T N 1.652 116.229 114.554 0.038 0.000 2.680 563 T HA -0.216 4.134 4.350 -0.000 0.000 0.268 563 T C 1.880 176.582 174.700 0.003 0.000 1.033 563 T CA 1.508 63.620 62.100 0.020 0.000 1.152 563 T CB -0.427 68.439 68.868 -0.004 0.000 0.859 563 T HN 0.239 nan 8.240 nan 0.000 0.452 564 L N -0.727 120.458 121.223 -0.064 0.000 2.005 564 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 564 L C 2.359 179.193 176.870 -0.059 0.000 1.072 564 L CA 1.585 56.351 54.840 -0.124 0.000 0.744 564 L CB -0.730 41.164 42.059 -0.275 0.000 0.895 564 L HN 0.254 nan 8.230 nan 0.000 0.433 565 F N 0.587 120.531 119.950 -0.010 0.000 2.065 565 F HA -0.315 4.212 4.527 -0.000 0.000 0.298 565 F C 2.708 178.526 175.800 0.031 0.000 1.112 565 F CA 1.440 59.451 58.000 0.018 0.000 1.212 565 F CB -0.187 38.844 39.000 0.052 0.000 0.975 565 F HN 0.088 nan 8.300 nan 0.000 0.476 566 E N 0.597 120.937 120.200 0.233 0.000 2.086 566 E HA -0.253 4.097 4.350 -0.000 0.000 0.200 566 E C 1.922 178.578 176.600 0.094 0.000 1.012 566 E CA 2.011 58.490 56.400 0.132 0.000 0.812 566 E CB -0.172 29.583 29.700 0.092 0.000 0.743 566 E HN 0.432 nan 8.360 nan 0.000 0.453 567 E N -0.544 119.698 120.200 0.070 0.000 2.072 567 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 567 E C 2.214 178.847 176.600 0.055 0.000 0.985 567 E CA 1.129 57.556 56.400 0.045 0.000 0.801 567 E CB -0.076 29.635 29.700 0.019 0.000 0.750 567 E HN 0.145 nan 8.360 nan 0.000 0.452 568 S N 1.232 116.977 115.700 0.075 0.000 2.387 568 S HA -0.256 4.214 4.470 -0.000 0.000 0.230 568 S C 2.127 176.785 174.600 0.098 0.000 1.035 568 S CA 1.115 59.369 58.200 0.090 0.000 1.014 568 S CB -0.321 62.969 63.200 0.150 0.000 0.836 568 S HN 0.404 nan 8.310 nan 0.000 0.466 569 A N 2.569 125.455 122.820 0.110 0.000 1.841 569 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 569 A C 1.904 179.521 177.584 0.054 0.000 1.199 569 A CA 1.862 53.948 52.037 0.082 0.000 0.621 569 A CB -1.027 18.019 19.000 0.075 0.000 0.835 569 A HN 0.401 nan 8.150 nan 0.000 0.445 570 D N -0.020 120.408 120.400 0.047 0.000 2.149 570 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 570 D C 1.913 178.231 176.300 0.030 0.000 1.001 570 D CA 1.528 55.547 54.000 0.033 0.000 0.849 570 D CB -0.376 40.441 40.800 0.030 0.000 0.939 570 D HN 0.474 nan 8.370 nan 0.000 0.449 571 L N 0.769 122.013 121.223 0.035 0.000 2.141 571 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 571 L C 1.280 178.168 176.870 0.031 0.000 1.094 571 L CA 0.011 54.869 54.840 0.031 0.000 0.763 571 L CB -0.406 41.672 42.059 0.032 0.000 0.908 571 L HN -0.112 nan 8.230 nan 0.000 0.437 572 A N 0.261 123.105 122.820 0.039 0.000 2.587 572 A HA -0.044 4.276 4.320 -0.000 0.000 0.235 572 A C 1.309 178.905 177.584 0.021 0.000 1.044 572 A CA 0.118 52.177 52.037 0.037 0.000 0.754 572 A CB 0.190 19.218 19.000 0.047 0.000 0.968 572 A HN 0.225 nan 8.150 nan 0.000 0.509 573 R N 0.796 121.306 120.500 0.016 0.000 2.062 573 R HA -0.030 4.310 4.340 -0.000 0.000 0.229 573 R C 0.376 176.671 176.300 -0.007 0.000 1.128 573 R CA 1.803 57.903 56.100 -0.001 0.000 0.960 573 R CB -0.434 29.863 30.300 -0.005 0.000 0.855 573 R HN 0.866 nan 8.270 nan 0.000 0.432 574 T N -0.056 114.498 114.554 0.001 0.000 2.940 574 T HA 0.261 4.611 4.350 -0.000 0.000 0.288 574 T C 1.342 176.043 174.700 0.002 0.000 1.045 574 T CA -0.847 61.251 62.100 -0.004 0.000 1.018 574 T CB 1.482 70.348 68.868 -0.004 0.000 1.151 574 T HN -0.209 nan 8.240 nan 0.000 0.529 575 M N 1.358 120.956 119.600 -0.004 0.000 2.080 575 M HA -0.101 4.379 4.480 -0.000 0.000 0.260 575 M C 2.446 178.744 176.300 -0.003 0.000 1.068 575 M CA 1.702 56.999 55.300 -0.004 0.000 1.109 575 M CB -1.328 31.267 32.600 -0.008 0.000 1.342 575 M HN 0.864 nan 8.290 nan 0.000 0.405 576 E N 0.847 121.046 120.200 -0.001 0.000 2.070 576 E HA -0.249 4.101 4.350 -0.000 0.000 0.197 576 E C 1.526 178.130 176.600 0.006 0.000 1.004 576 E CA 1.763 58.162 56.400 -0.001 0.000 0.805 576 E CB -0.691 29.012 29.700 0.005 0.000 0.744 576 E HN 0.476 nan 8.360 nan 0.000 0.451 577 E N 1.136 121.348 120.200 0.020 0.000 2.204 577 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 577 E C 1.981 178.605 176.600 0.040 0.000 0.989 577 E CA 1.048 57.471 56.400 0.039 0.000 0.824 577 E CB -0.057 29.671 29.700 0.046 0.000 0.756 577 E HN 0.296 nan 8.360 nan 0.000 0.477 578 K N 0.159 120.573 120.400 0.024 0.000 2.062 578 K HA 0.010 4.330 4.320 -0.000 0.000 0.205 578 K C 1.942 178.544 176.600 0.004 0.000 1.051 578 K CA 0.504 56.804 56.287 0.022 0.000 0.941 578 K CB -0.117 32.391 32.500 0.013 0.000 0.719 578 K HN 0.129 nan 8.250 nan 0.000 0.440 579 L N 1.714 122.928 121.223 -0.015 0.000 2.083 579 L HA -0.211 4.128 4.340 -0.000 0.000 0.209 579 L C 2.283 179.106 176.870 -0.080 0.000 1.083 579 L CA 1.710 56.523 54.840 -0.044 0.000 0.752 579 L CB -0.540 41.492 42.059 -0.045 0.000 0.899 579 L HN 0.352 nan 8.230 nan 0.000 0.433 580 Q N -0.303 119.462 119.800 -0.058 0.000 1.993 580 Q HA -0.212 4.128 4.340 -0.000 0.000 0.202 580 Q C 2.205 178.158 176.000 -0.079 0.000 0.984 580 Q CA 2.211 57.959 55.803 -0.092 0.000 0.837 580 Q CB -0.060 28.686 28.738 0.014 0.000 0.902 580 Q HN 0.600 nan 8.270 nan 0.000 0.423 581 A N 0.999 123.851 122.820 0.053 0.000 1.883 581 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 581 A C 2.021 179.602 177.584 -0.006 0.000 1.186 581 A CA 1.710 53.820 52.037 0.120 0.000 0.624 581 A CB -0.885 18.215 19.000 0.167 0.000 0.822 581 A HN 0.525 nan 8.150 nan 0.000 0.444 582 I N 0.380 120.932 120.570 -0.030 0.000 2.208 582 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 582 I C 2.894 178.935 176.117 -0.126 0.000 1.097 582 I CA 1.855 63.125 61.300 -0.050 0.000 1.363 582 I CB -1.071 36.905 38.000 -0.039 0.000 1.051 582 I HN 0.594 nan 8.210 nan 0.000 0.413 583 T N 0.039 114.461 114.554 -0.219 0.000 2.607 583 T HA -0.259 4.090 4.350 -0.000 0.000 0.267 583 T C 1.788 176.284 174.700 -0.340 0.000 1.049 583 T CA 1.539 63.454 62.100 -0.308 0.000 1.162 583 T CB -1.190 67.402 68.868 -0.460 0.000 0.863 583 T HN 0.259 nan 8.240 nan 0.000 0.424 584 F N 2.455 122.150 119.950 -0.425 0.000 2.046 584 F HA 0.010 4.537 4.527 -0.000 0.000 0.297 584 F C 3.248 178.779 175.800 -0.447 0.000 1.123 584 F CA 1.042 58.649 58.000 -0.656 0.000 1.199 584 F CB -1.022 36.976 39.000 -1.671 0.000 0.972 584 F HN 0.285 nan 8.300 nan 0.000 0.474 585 A N 0.142 122.855 122.820 -0.179 0.000 1.881 585 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 585 A C 2.142 179.741 177.584 0.026 0.000 1.215 585 A CA 2.227 54.293 52.037 0.048 0.000 0.648 585 A CB -0.841 18.206 19.000 0.079 0.000 0.832 585 A HN 0.355 nan 8.150 nan 0.000 0.455 586 E N -0.477 119.706 120.200 -0.027 0.000 2.077 586 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 586 E C 2.338 178.927 176.600 -0.019 0.000 0.989 586 E CA 1.313 57.699 56.400 -0.025 0.000 0.800 586 E CB -0.686 28.983 29.700 -0.051 0.000 0.746 586 E HN 0.614 nan 8.360 nan 0.000 0.452 587 A N 1.054 123.852 122.820 -0.036 0.000 2.015 587 A HA -0.013 4.307 4.320 -0.000 0.000 0.219 587 A C 2.332 179.935 177.584 0.032 0.000 1.163 587 A CA 1.749 53.778 52.037 -0.012 0.000 0.646 587 A CB -0.326 18.660 19.000 -0.023 0.000 0.806 587 A HN 0.251 nan 8.150 nan 0.000 0.448 588 A N -0.027 122.829 122.820 0.061 0.000 1.898 588 A HA -0.047 4.273 4.320 -0.000 0.000 0.214 588 A C 2.066 179.687 177.584 0.062 0.000 1.183 588 A CA 1.442 53.535 52.037 0.093 0.000 0.622 588 A CB -0.331 18.770 19.000 0.169 0.000 0.824 588 A HN 0.498 nan 8.150 nan 0.000 0.444 589 K N -0.386 120.044 120.400 0.050 0.000 2.063 589 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 589 K C 1.878 178.492 176.600 0.023 0.000 1.048 589 K CA 1.425 57.732 56.287 0.035 0.000 0.928 589 K CB -0.517 31.999 32.500 0.027 0.000 0.713 589 K HN 0.314 nan 8.250 nan 0.000 0.442 590 V N 1.157 121.081 119.914 0.017 0.000 2.427 590 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 590 V C 2.235 178.337 176.094 0.014 0.000 1.051 590 V CA 1.817 64.123 62.300 0.010 0.000 1.048 590 V CB -0.097 31.727 31.823 0.003 0.000 0.666 590 V HN 0.278 nan 8.190 nan 0.000 0.456 591 Q N -0.005 119.808 119.800 0.022 0.000 2.079 591 Q HA -0.226 4.114 4.340 -0.000 0.000 0.200 591 Q C 2.291 178.304 176.000 0.021 0.000 0.974 591 Q CA 2.399 58.216 55.803 0.023 0.000 0.840 591 Q CB -0.433 28.325 28.738 0.034 0.000 0.898 591 Q HN 0.803 nan 8.270 nan 0.000 0.430 592 Q N -0.308 119.507 119.800 0.025 0.000 2.124 592 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 592 Q C 2.071 178.080 176.000 0.015 0.000 0.977 592 Q CA 1.385 57.201 55.803 0.021 0.000 0.850 592 Q CB -0.094 28.659 28.738 0.026 0.000 0.901 592 Q HN 0.281 nan 8.270 nan 0.000 0.429 593 R N -0.151 120.357 120.500 0.014 0.000 2.148 593 R HA -0.088 4.252 4.340 -0.000 0.000 0.227 593 R C 1.947 178.251 176.300 0.008 0.000 1.103 593 R CA 0.848 56.954 56.100 0.010 0.000 0.983 593 R CB 0.066 30.371 30.300 0.008 0.000 0.874 593 R HN 0.309 nan 8.270 nan 0.000 0.451 594 I N 0.722 121.297 120.570 0.008 0.000 2.333 594 I HA -0.127 4.043 4.170 -0.000 0.000 0.246 594 I C 1.465 177.586 176.117 0.006 0.000 1.106 594 I CA 1.069 62.373 61.300 0.007 0.000 1.411 594 I CB -0.729 37.275 38.000 0.007 0.000 1.082 594 I HN 0.127 nan 8.210 nan 0.000 0.420 595 R N 0.871 121.375 120.500 0.008 0.000 2.526 595 R HA 0.060 4.400 4.340 -0.000 0.000 0.223 595 R C 0.614 176.918 176.300 0.005 0.000 1.250 595 R CA -0.053 56.051 56.100 0.006 0.000 1.227 595 R CB -0.157 30.148 30.300 0.007 0.000 1.109 595 R HN 0.119 nan 8.270 nan 0.000 0.499 596 S N 1.304 117.007 115.700 0.005 0.000 2.651 596 S HA 0.190 4.660 4.470 -0.000 0.000 0.291 596 S C -1.150 173.452 174.600 0.004 0.000 1.141 596 S CA -0.687 57.516 58.200 0.004 0.000 1.027 596 S CB 0.805 64.008 63.200 0.005 0.000 1.043 596 S HN 0.572 nan 8.310 nan 0.000 0.530 597 D N 1.648 122.050 120.400 0.003 0.000 9.962 597 D HA -0.111 4.529 4.640 -0.000 0.000 0.316 597 D C -2.394 173.908 176.300 0.002 0.000 2.773 597 D CA -0.057 53.945 54.000 0.003 0.000 2.471 597 D CB -1.026 39.775 40.800 0.002 0.000 1.064 597 D HN 0.325 nan 8.370 nan 0.000 0.814 598 P HA -0.174 nan 4.420 nan 0.000 0.218 598 P C 1.666 178.967 177.300 0.002 0.000 1.148 598 P CA 1.138 64.239 63.100 0.002 0.000 0.822 598 P CB 0.154 31.855 31.700 0.002 0.000 0.784 599 V N -0.529 119.386 119.914 0.002 0.000 2.363 599 V HA -0.227 3.893 4.120 -0.000 0.000 0.254 599 V C 2.180 178.275 176.094 0.002 0.000 1.074 599 V CA 1.750 64.051 62.300 0.002 0.000 1.069 599 V CB -0.855 30.969 31.823 0.002 0.000 0.659 599 V HN 0.194 nan 8.190 nan 0.000 0.455 600 L N -1.474 119.750 121.223 0.002 0.000 2.624 600 L HA 0.381 4.721 4.340 -0.000 0.000 0.222 600 L C 2.356 179.227 176.870 0.002 0.000 1.046 600 L CA 1.631 56.472 54.840 0.002 0.000 0.872 600 L CB -0.694 41.367 42.059 0.003 0.000 1.190 600 L HN 0.260 nan 8.230 nan 0.000 0.487 601 A N 0.608 123.430 122.820 0.002 0.000 1.877 601 A HA -0.259 4.060 4.320 -0.000 0.000 0.216 601 A C 2.187 179.772 177.584 0.001 0.000 1.186 601 A CA 2.082 54.120 52.037 0.002 0.000 0.620 601 A CB -0.420 18.581 19.000 0.003 0.000 0.822 601 A HN 0.313 nan 8.150 nan 0.000 0.443 602 K N 0.436 120.837 120.400 0.001 0.000 2.074 602 K HA -0.153 4.167 4.320 -0.000 0.000 0.209 602 K C 1.858 178.458 176.600 -0.000 0.000 1.048 602 K CA 2.005 58.292 56.287 0.001 0.000 0.926 602 K CB -0.276 32.225 32.500 0.001 0.000 0.713 602 K HN 0.555 nan 8.250 nan 0.000 0.444 603 K N -0.078 120.323 120.400 0.000 0.000 2.160 603 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 603 K C 2.020 178.618 176.600 -0.002 0.000 1.047 603 K CA 1.604 57.891 56.287 0.000 0.000 0.930 603 K CB -0.238 32.263 32.500 0.001 0.000 0.720 603 K HN 0.226 nan 8.250 nan 0.000 0.450 604 I N 0.650 121.219 120.570 -0.002 0.000 2.353 604 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 604 I C 2.467 178.579 176.117 -0.008 0.000 1.119 604 I CA 0.798 62.095 61.300 -0.005 0.000 1.417 604 I CB -0.120 37.878 38.000 -0.003 0.000 1.078 604 I HN 0.113 nan 8.210 nan 0.000 0.421 605 Q N 1.230 121.027 119.800 -0.005 0.000 2.181 605 Q HA -0.151 4.189 4.340 -0.000 0.000 0.205 605 Q C 0.468 176.463 176.000 -0.009 0.000 0.980 605 Q CA 1.109 56.908 55.803 -0.006 0.000 0.862 605 Q CB -0.130 28.606 28.738 -0.002 0.000 0.905 605 Q HN 0.228 nan 8.270 nan 0.000 0.429 606 E N 1.468 121.663 120.200 -0.008 0.000 2.311 606 E HA 0.013 4.362 4.350 -0.000 0.000 0.247 606 E C -0.179 176.409 176.600 -0.020 0.000 1.215 606 E CA 0.415 56.809 56.400 -0.009 0.000 0.957 606 E CB -0.468 29.229 29.700 -0.005 0.000 1.020 606 E HN 0.382 nan 8.360 nan 0.000 0.461 607 T N 0.000 114.540 114.554 -0.024 0.000 3.816 607 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 607 T CA 0.000 62.074 62.100 -0.043 0.000 1.349 607 T CB 0.000 68.842 68.868 -0.043 0.000 0.612 607 T HN 0.000 nan 8.240 nan 0.000 0.658