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 2pft_1_A DATA FIRST_RESID 85 DATA SEQUENCE DHVISYYHVA SDTEKIIREG PTGRLEEYLG SMAKIQKAVE YFQDNSPDSP DATA SEQUENCE ELNKVKLLFE RGKESLESEF RSLMTRHSKV VSPVLLLDLI SADDEXXXXX DATA SEQUENCE XXXLEHLPES VLRDVVRISR WLVEYGRNQD FMNVYYQIRS SQLDRSIKGL DATA SEQUENCE KEHFRKSXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX LDVETDAYIH DATA SEQUENCE CVSAFVKLAQ SEYRLLMEII PEHHQKKTFD SLIQDALDGL MLEGENIVSA DATA SEQUENCE ARKAIIRHDF STVLTVFPIL RHLKQTKPEF DQVLQGTAAS TKNKLPGLIT DATA SEQUENCE SMETIGAKAL EDFADNIKND PDKEYNMPKD GTVHELTSNA ILFLQQLLDF DATA SEQUENCE QETAGAMLAS QEXXXXXXXX SSEFSKRLLS TYICKVLGNL QLNLLSKSKV DATA SEQUENCE YEDPALSAIF LHNNYNYILK SLEKSELIQL VAVTQKTAER SYREHIEQQI DATA SEQUENCE QTYQRSWLKV TDYIAEKNLP VFQPGVKLRD KERQMIKERF KGFNDGLEEL DATA SEQUENCE CKIQKVWAIP DTEQRDKIRQ AQKDIVKETY GAFLHRYGSV PFTKNPEKYI DATA SEQUENCE KYRVEQVGDM IDRLFDTS 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 85 D HA 0.000 nan 4.640 nan 0.000 0.175 85 D C 0.000 176.360 176.300 0.099 0.000 2.045 85 D CA 0.000 54.049 54.000 0.082 0.000 0.868 85 D CB 0.000 40.819 40.800 0.031 0.000 0.688 86 H N -0.109 118.907 119.070 -0.090 0.000 2.645 86 H HA 0.202 4.758 4.556 0.001 0.000 0.300 86 H C 1.331 176.498 175.328 -0.269 0.000 1.065 86 H CA 0.560 56.499 56.048 -0.181 0.000 1.173 86 H CB -0.932 28.710 29.762 -0.199 0.000 1.383 86 H HN 0.172 nan 8.280 nan 0.000 0.566 87 V N -2.249 117.547 119.914 -0.198 0.000 3.235 87 V HA -0.008 4.113 4.120 0.001 0.000 0.259 87 V C 1.977 178.035 176.094 -0.059 0.000 1.133 87 V CA 0.586 62.760 62.300 -0.210 0.000 1.128 87 V CB -0.527 31.314 31.823 0.031 0.000 0.757 87 V HN 0.290 nan 8.190 nan 0.000 0.469 88 I N 2.626 123.172 120.570 -0.040 0.000 2.876 88 I HA -0.032 4.139 4.170 0.001 0.000 0.264 88 I C 2.528 178.695 176.117 0.084 0.000 1.204 88 I CA 1.488 62.837 61.300 0.082 0.000 1.485 88 I CB -0.217 37.778 38.000 -0.008 0.000 1.103 88 I HN 0.495 nan 8.210 nan 0.000 0.446 89 S N -0.525 115.061 115.700 -0.190 0.000 2.442 89 S HA -0.235 4.235 4.470 0.001 0.000 0.236 89 S C 2.031 176.520 174.600 -0.185 0.000 1.007 89 S CA 1.139 59.190 58.200 -0.249 0.000 0.965 89 S CB -1.178 61.786 63.200 -0.393 0.000 0.773 89 S HN 0.591 nan 8.310 nan 0.000 0.504 90 Y N 0.157 120.383 120.300 -0.123 0.000 2.293 90 Y HA 0.007 4.557 4.550 0.000 0.000 0.291 90 Y C 1.955 177.860 175.900 0.008 0.000 1.137 90 Y CA 0.945 58.894 58.100 -0.252 0.000 1.202 90 Y CB -0.547 37.429 38.460 -0.806 0.000 0.990 90 Y HN 0.255 nan 8.280 nan 0.000 0.537 91 Y N -1.741 118.766 120.300 0.345 0.000 2.616 91 Y HA -0.126 4.424 4.550 0.000 0.000 0.296 91 Y C 1.504 177.501 175.900 0.161 0.000 1.154 91 Y CA 0.962 59.269 58.100 0.346 0.000 1.325 91 Y CB -0.406 38.225 38.460 0.286 0.000 1.007 91 Y HN 0.249 nan 8.280 nan 0.000 0.542 92 H N -2.876 116.309 119.070 0.192 0.000 2.750 92 H HA 0.086 4.642 4.556 0.001 0.000 0.263 92 H C 2.122 177.491 175.328 0.068 0.000 0.964 92 H CA 0.191 56.302 56.048 0.104 0.000 1.205 92 H CB -0.094 29.701 29.762 0.055 0.000 1.454 92 H HN 0.040 nan 8.280 nan 0.000 0.503 93 V N 1.109 121.125 119.914 0.169 0.000 2.233 93 V HA -0.379 3.742 4.120 0.001 0.000 0.252 93 V C 2.593 178.737 176.094 0.083 0.000 1.063 93 V CA 2.230 64.593 62.300 0.105 0.000 1.032 93 V CB -1.060 30.830 31.823 0.112 0.000 0.645 93 V HN 0.599 nan 8.190 nan 0.000 0.446 94 A N -0.556 122.317 122.820 0.089 0.000 1.892 94 A HA -0.259 4.062 4.320 0.001 0.000 0.218 94 A C 2.456 180.061 177.584 0.035 0.000 1.188 94 A CA 2.632 54.704 52.037 0.058 0.000 0.631 94 A CB -0.849 18.183 19.000 0.053 0.000 0.822 94 A HN 0.553 nan 8.150 nan 0.000 0.447 95 S N 0.197 115.914 115.700 0.028 0.000 2.356 95 S HA -0.133 4.337 4.470 0.001 0.000 0.223 95 S C 1.539 176.155 174.600 0.027 0.000 1.032 95 S CA 1.398 59.607 58.200 0.016 0.000 1.005 95 S CB -0.466 62.731 63.200 -0.005 0.000 0.867 95 S HN 0.622 nan 8.310 nan 0.000 0.449 96 D N 1.008 121.435 120.400 0.045 0.000 2.264 96 D HA -0.044 4.597 4.640 0.001 0.000 0.208 96 D C 2.073 178.380 176.300 0.012 0.000 0.966 96 D CA 1.514 55.537 54.000 0.038 0.000 0.864 96 D CB -0.410 40.423 40.800 0.055 0.000 0.933 96 D HN 0.622 nan 8.370 nan 0.000 0.499 97 T N -3.659 110.898 114.554 0.006 0.000 3.001 97 T HA 0.207 4.557 4.350 0.001 0.000 0.251 97 T C 1.840 176.521 174.700 -0.033 0.000 1.040 97 T CA 0.865 62.949 62.100 -0.027 0.000 0.985 97 T CB 0.052 68.900 68.868 -0.034 0.000 1.011 97 T HN 0.113 nan 8.240 nan 0.000 0.509 98 E N 2.834 123.030 120.200 -0.008 0.000 2.065 98 E HA -0.270 4.081 4.350 0.001 0.000 0.201 98 E C 1.944 178.542 176.600 -0.004 0.000 1.016 98 E CA 2.190 58.588 56.400 -0.003 0.000 0.818 98 E CB -0.967 28.738 29.700 0.008 0.000 0.749 98 E HN 0.717 nan 8.360 nan 0.000 0.453 99 K N 0.366 120.765 120.400 -0.001 0.000 1.987 99 K HA -0.095 4.226 4.320 0.001 0.000 0.216 99 K C 2.181 178.788 176.600 0.011 0.000 1.051 99 K CA 1.966 58.257 56.287 0.006 0.000 0.942 99 K CB -0.787 31.718 32.500 0.007 0.000 0.722 99 K HN 0.474 nan 8.250 nan 0.000 0.444 100 I N 0.123 120.689 120.570 -0.007 0.000 2.118 100 I HA -0.284 3.887 4.170 0.001 0.000 0.241 100 I C 1.735 177.864 176.117 0.020 0.000 1.070 100 I CA 1.392 62.692 61.300 0.001 0.000 1.327 100 I CB -0.128 37.840 38.000 -0.055 0.000 1.034 100 I HN 0.266 nan 8.210 nan 0.000 0.405 101 I N 0.878 121.389 120.570 -0.098 0.000 2.194 101 I HA -0.323 3.848 4.170 0.001 0.000 0.246 101 I C 2.645 178.825 176.117 0.105 0.000 1.093 101 I CA 1.587 62.828 61.300 -0.098 0.000 1.355 101 I CB -1.576 36.349 38.000 -0.126 0.000 1.046 101 I HN 0.393 nan 8.210 nan 0.000 0.413 102 R N 0.997 121.534 120.500 0.060 0.000 2.115 102 R HA -0.121 4.219 4.340 0.001 0.000 0.226 102 R C 1.993 178.335 176.300 0.071 0.000 1.100 102 R CA 1.022 57.159 56.100 0.061 0.000 0.980 102 R CB 0.054 30.374 30.300 0.034 0.000 0.875 102 R HN 0.417 nan 8.270 nan 0.000 0.445 103 E N -0.277 119.972 120.200 0.083 0.000 2.274 103 E HA 0.051 4.401 4.350 0.001 0.000 0.194 103 E C 0.530 177.167 176.600 0.062 0.000 0.996 103 E CA 0.493 56.932 56.400 0.065 0.000 0.840 103 E CB 0.138 29.873 29.700 0.058 0.000 0.772 103 E HN 0.527 nan 8.360 nan 0.000 0.491 104 G N 1.342 110.222 108.800 0.134 0.000 2.663 104 G HA2 -0.150 3.810 3.960 0.001 0.000 0.686 104 G HA3 -0.150 3.810 3.960 0.001 0.000 0.686 104 G C -2.409 172.346 174.900 -0.241 0.000 1.246 104 G CA -0.374 44.685 45.100 -0.069 0.000 0.795 104 G HN -0.070 nan 8.290 nan 0.000 0.627 105 P HA 0.103 nan 4.420 nan 0.000 0.255 105 P C 0.757 177.891 177.300 -0.277 0.000 1.248 105 P CA 0.518 63.205 63.100 -0.689 0.000 0.807 105 P CB 0.061 31.075 31.700 -1.144 0.000 1.150 106 T N 1.088 115.521 114.554 -0.203 0.000 2.822 106 T HA 0.262 4.613 4.350 0.001 0.000 0.288 106 T C 1.524 176.185 174.700 -0.065 0.000 0.991 106 T CA 1.435 63.467 62.100 -0.113 0.000 1.176 106 T CB -0.470 68.349 68.868 -0.082 0.000 0.951 106 T HN 0.372 nan 8.240 nan 0.000 0.526 107 G N 3.888 112.657 108.800 -0.052 0.000 2.179 107 G HA2 -0.310 3.650 3.960 0.001 0.000 0.260 107 G HA3 -0.310 3.650 3.960 0.001 0.000 0.260 107 G C 0.355 175.242 174.900 -0.022 0.000 0.977 107 G CA 0.275 45.358 45.100 -0.028 0.000 0.641 107 G HN 0.943 nan 8.290 nan 0.000 0.533 108 R N -0.857 119.626 120.500 -0.027 0.000 2.583 108 R HA 0.526 4.867 4.340 0.001 0.000 0.282 108 R C 1.160 177.463 176.300 0.006 0.000 1.288 108 R CA -0.198 55.902 56.100 -0.001 0.000 1.415 108 R CB -0.310 30.004 30.300 0.024 0.000 1.331 108 R HN 0.267 nan 8.270 nan 0.000 0.719 109 L N 1.293 122.498 121.223 -0.030 0.000 1.989 109 L HA -0.113 4.228 4.340 0.001 0.000 0.211 109 L C 1.781 178.655 176.870 0.006 0.000 1.071 109 L CA 2.092 56.906 54.840 -0.044 0.000 0.749 109 L CB -0.183 41.837 42.059 -0.064 0.000 0.890 109 L HN 0.367 nan 8.230 nan 0.000 0.431 110 E N -0.283 119.923 120.200 0.010 0.000 2.058 110 E HA -0.269 4.081 4.350 0.001 0.000 0.194 110 E C 2.179 178.798 176.600 0.032 0.000 0.997 110 E CA 1.588 58.001 56.400 0.022 0.000 0.801 110 E CB -0.225 29.487 29.700 0.021 0.000 0.746 110 E HN 0.642 nan 8.360 nan 0.000 0.450 111 E N -0.839 119.383 120.200 0.037 0.000 2.058 111 E HA -0.255 4.095 4.350 0.001 0.000 0.194 111 E C 1.963 178.588 176.600 0.041 0.000 0.997 111 E CA 1.071 57.492 56.400 0.035 0.000 0.801 111 E CB -0.245 29.477 29.700 0.037 0.000 0.746 111 E HN 0.372 nan 8.360 nan 0.000 0.450 112 Y N 1.079 121.334 120.300 -0.075 0.000 2.097 112 Y HA -0.206 4.344 4.550 0.000 0.000 0.282 112 Y C 2.107 177.926 175.900 -0.135 0.000 1.152 112 Y CA 1.835 59.870 58.100 -0.108 0.000 1.136 112 Y CB -0.139 38.234 38.460 -0.146 0.000 0.975 112 Y HN 0.050 nan 8.280 nan 0.000 0.498 113 L N -0.886 120.356 121.223 0.032 0.000 2.191 113 L HA -0.179 4.161 4.340 0.001 0.000 0.212 113 L C 2.579 179.446 176.870 -0.005 0.000 1.103 113 L CA 1.057 55.862 54.840 -0.059 0.000 0.769 113 L CB -1.107 40.914 42.059 -0.063 0.000 0.908 113 L HN 0.399 nan 8.230 nan 0.000 0.438 114 G N -0.891 107.908 108.800 -0.002 0.000 2.408 114 G HA2 -0.196 3.764 3.960 0.001 0.000 0.217 114 G HA3 -0.196 3.764 3.960 0.001 0.000 0.217 114 G C 1.729 176.618 174.900 -0.019 0.000 1.150 114 G CA 0.786 45.891 45.100 0.009 0.000 0.776 114 G HN 0.337 nan 8.290 nan 0.000 0.542 115 S N 0.455 116.104 115.700 -0.085 0.000 2.383 115 S HA -0.023 4.447 4.470 0.001 0.000 0.227 115 S C 2.418 176.961 174.600 -0.095 0.000 1.026 115 S CA 0.892 59.021 58.200 -0.117 0.000 0.981 115 S CB -0.169 62.896 63.200 -0.225 0.000 0.818 115 S HN 0.151 nan 8.310 nan 0.000 0.472 116 M N 1.425 120.946 119.600 -0.132 0.000 2.159 116 M HA -0.000 4.480 4.480 0.001 0.000 0.263 116 M C 2.414 178.824 176.300 0.182 0.000 1.063 116 M CA 1.251 56.553 55.300 0.004 0.000 1.110 116 M CB -1.576 30.980 32.600 -0.073 0.000 1.374 116 M HN 0.385 nan 8.290 nan 0.000 0.411 117 A N -0.284 122.608 122.820 0.120 0.000 1.969 117 A HA -0.179 4.141 4.320 0.001 0.000 0.218 117 A C 2.302 179.931 177.584 0.076 0.000 1.169 117 A CA 1.747 53.854 52.037 0.116 0.000 0.635 117 A CB -0.569 18.495 19.000 0.108 0.000 0.810 117 A HN 0.497 nan 8.150 nan 0.000 0.445 118 K N -0.117 120.316 120.400 0.055 0.000 2.057 118 K HA -0.079 4.241 4.320 0.001 0.000 0.207 118 K C 1.775 178.412 176.600 0.062 0.000 1.049 118 K CA 1.549 57.863 56.287 0.045 0.000 0.931 118 K CB -0.300 32.209 32.500 0.016 0.000 0.714 118 K HN 0.501 nan 8.250 nan 0.000 0.440 119 I N 0.881 121.499 120.570 0.080 0.000 2.179 119 I HA -0.254 3.916 4.170 0.001 0.000 0.242 119 I C 2.579 178.715 176.117 0.030 0.000 1.088 119 I CA 1.092 62.455 61.300 0.105 0.000 1.357 119 I CB -0.283 37.834 38.000 0.195 0.000 1.051 119 I HN 0.272 nan 8.210 nan 0.000 0.409 120 Q N 1.375 121.168 119.800 -0.012 0.000 2.226 120 Q HA -0.218 4.123 4.340 0.001 0.000 0.204 120 Q C 1.917 177.830 176.000 -0.144 0.000 0.975 120 Q CA 1.630 57.276 55.803 -0.262 0.000 0.866 120 Q CB -0.090 28.468 28.738 -0.299 0.000 0.915 120 Q HN 0.142 nan 8.270 nan 0.000 0.440 121 K N -0.425 119.956 120.400 -0.033 0.000 2.057 121 K HA 0.079 4.399 4.320 0.001 0.000 0.206 121 K C 1.773 178.332 176.600 -0.067 0.000 1.050 121 K CA 1.243 57.534 56.287 0.006 0.000 0.935 121 K CB -0.573 31.996 32.500 0.116 0.000 0.715 121 K HN 0.268 nan 8.250 nan 0.000 0.439 122 A N -0.062 122.740 122.820 -0.031 0.000 1.930 122 A HA -0.098 4.222 4.320 0.001 0.000 0.217 122 A C 2.257 179.731 177.584 -0.184 0.000 1.175 122 A CA 1.615 53.559 52.037 -0.155 0.000 0.627 122 A CB -0.679 18.351 19.000 0.050 0.000 0.815 122 A HN 0.084 nan 8.150 nan 0.000 0.443 123 V N 0.441 120.297 119.914 -0.096 0.000 2.295 123 V HA -0.293 3.827 4.120 0.001 0.000 0.246 123 V C 2.400 178.421 176.094 -0.122 0.000 1.049 123 V CA 2.369 64.621 62.300 -0.080 0.000 1.024 123 V CB -0.914 30.789 31.823 -0.200 0.000 0.648 123 V HN 0.677 nan 8.190 nan 0.000 0.447 124 E N -0.994 119.105 120.200 -0.168 0.000 2.110 124 E HA -0.253 4.098 4.350 0.001 0.000 0.193 124 E C 2.102 178.560 176.600 -0.236 0.000 0.988 124 E CA 1.596 57.898 56.400 -0.164 0.000 0.804 124 E CB -0.283 29.340 29.700 -0.128 0.000 0.745 124 E HN 0.747 nan 8.360 nan 0.000 0.458 125 Y N 0.652 120.650 120.300 -0.502 0.000 2.114 125 Y HA -0.215 4.335 4.550 0.000 0.000 0.284 125 Y C 1.844 177.438 175.900 -0.510 0.000 1.143 125 Y CA 1.607 59.269 58.100 -0.731 0.000 1.135 125 Y CB -0.409 37.099 38.460 -1.588 0.000 0.980 125 Y HN -0.059 nan 8.280 nan 0.000 0.499 126 F N 0.255 120.019 119.950 -0.310 0.000 2.186 126 F HA -0.235 4.292 4.527 0.001 0.000 0.299 126 F C 2.490 178.140 175.800 -0.250 0.000 1.090 126 F CA 1.205 59.039 58.000 -0.277 0.000 1.307 126 F CB -0.305 38.599 39.000 -0.160 0.000 1.019 126 F HN 0.123 nan 8.300 nan 0.000 0.489 127 Q N 0.051 119.827 119.800 -0.040 0.000 2.119 127 Q HA -0.173 4.167 4.340 0.001 0.000 0.201 127 Q C 1.774 177.706 176.000 -0.113 0.000 0.972 127 Q CA 1.640 57.404 55.803 -0.066 0.000 0.847 127 Q CB -0.545 28.151 28.738 -0.070 0.000 0.903 127 Q HN 0.659 nan 8.270 nan 0.000 0.433 128 D N -0.016 120.271 120.400 -0.188 0.000 2.339 128 D HA 0.039 4.679 4.640 0.001 0.000 0.217 128 D C 1.037 177.186 176.300 -0.251 0.000 1.050 128 D CA 0.201 54.084 54.000 -0.195 0.000 0.856 128 D CB 0.094 40.781 40.800 -0.189 0.000 0.922 128 D HN 0.148 nan 8.370 nan 0.000 0.518 129 N N -1.089 117.417 118.700 -0.324 0.000 2.008 129 N HA 0.086 4.826 4.740 0.001 0.000 0.228 129 N C -0.515 174.909 175.510 -0.142 0.000 1.375 129 N CA 0.233 53.092 53.050 -0.319 0.000 0.856 129 N CB 1.958 40.037 38.487 -0.680 0.000 1.096 129 N HN 0.132 nan 8.380 nan 0.000 0.489 130 S N 1.334 116.995 115.700 -0.065 0.000 2.645 130 S HA 0.189 4.659 4.470 0.001 0.000 0.168 130 S C -2.741 171.857 174.600 -0.004 0.000 0.988 130 S CA -0.589 57.624 58.200 0.021 0.000 1.132 130 S CB 1.744 65.027 63.200 0.138 0.000 1.691 130 S HN 0.076 nan 8.310 nan 0.000 0.457 131 P HA 0.170 nan 4.420 nan 0.000 0.272 131 P C 0.478 177.755 177.300 -0.039 0.000 1.243 131 P CA 1.254 64.335 63.100 -0.032 0.000 0.803 131 P CB -0.080 31.599 31.700 -0.035 0.000 0.974 132 D N -2.286 118.090 120.400 -0.040 0.000 2.845 132 D HA -0.198 4.442 4.640 0.001 0.000 0.229 132 D C 0.519 176.785 176.300 -0.057 0.000 1.170 132 D CA 1.457 55.432 54.000 -0.042 0.000 0.717 132 D CB -2.187 38.596 40.800 -0.029 0.000 1.073 132 D HN 0.699 nan 8.370 nan 0.000 0.424 133 S N -2.596 113.050 115.700 -0.091 0.000 2.681 133 S HA 0.757 5.227 4.470 0.001 0.000 0.299 133 S C -1.602 172.901 174.600 -0.162 0.000 1.113 133 S CA -0.581 57.547 58.200 -0.121 0.000 1.013 133 S CB 2.589 65.698 63.200 -0.152 0.000 1.076 133 S HN -0.003 nan 8.310 nan 0.000 0.534 134 P HA -0.059 nan 4.420 nan 0.000 0.215 134 P C 0.992 178.163 177.300 -0.215 0.000 1.157 134 P CA 1.235 64.252 63.100 -0.137 0.000 0.868 134 P CB -0.019 31.627 31.700 -0.090 0.000 0.788 135 E N -0.218 119.758 120.200 -0.373 0.000 2.070 135 E HA -0.179 4.172 4.350 0.001 0.000 0.197 135 E C 1.966 178.243 176.600 -0.538 0.000 1.004 135 E CA 0.804 56.858 56.400 -0.577 0.000 0.805 135 E CB -1.425 27.530 29.700 -1.243 0.000 0.744 135 E HN 0.112 nan 8.360 nan 0.000 0.451 136 L N 1.110 121.984 121.223 -0.581 0.000 2.012 136 L HA -0.219 4.121 4.340 0.001 0.000 0.210 136 L C 1.384 178.209 176.870 -0.076 0.000 1.073 136 L CA 1.956 56.674 54.840 -0.203 0.000 0.748 136 L CB -0.655 41.329 42.059 -0.126 0.000 0.891 136 L HN 0.167 nan 8.230 nan 0.000 0.431 137 N N 0.500 119.146 118.700 -0.091 0.000 2.084 137 N HA -0.229 4.511 4.740 0.001 0.000 0.190 137 N C 1.778 177.281 175.510 -0.012 0.000 1.030 137 N CA 1.310 54.338 53.050 -0.037 0.000 0.849 137 N CB -0.302 38.162 38.487 -0.038 0.000 1.012 137 N HN 0.378 nan 8.380 nan 0.000 0.423 138 K N 1.167 121.548 120.400 -0.032 0.000 2.044 138 K HA -0.133 4.188 4.320 0.001 0.000 0.210 138 K C 1.924 178.547 176.600 0.037 0.000 1.049 138 K CA 1.619 57.904 56.287 -0.003 0.000 0.927 138 K CB 0.023 32.511 32.500 -0.020 0.000 0.713 138 K HN 0.146 nan 8.250 nan 0.000 0.443 139 V N -1.272 118.674 119.914 0.055 0.000 2.548 139 V HA -0.128 3.993 4.120 0.001 0.000 0.249 139 V C 1.859 178.022 176.094 0.116 0.000 1.055 139 V CA 1.324 63.685 62.300 0.101 0.000 1.065 139 V CB -0.502 31.407 31.823 0.144 0.000 0.681 139 V HN 0.198 nan 8.190 nan 0.000 0.462 140 K N -0.037 120.413 120.400 0.083 0.000 2.148 140 K HA -0.029 4.291 4.320 0.001 0.000 0.204 140 K C 2.053 178.746 176.600 0.155 0.000 1.050 140 K CA 1.234 57.581 56.287 0.101 0.000 0.942 140 K CB -0.288 32.243 32.500 0.052 0.000 0.724 140 K HN 0.341 nan 8.250 nan 0.000 0.446 141 L N 0.556 121.844 121.223 0.107 0.000 2.131 141 L HA -0.081 4.259 4.340 0.001 0.000 0.206 141 L C 2.153 179.089 176.870 0.109 0.000 1.087 141 L CA 1.083 55.982 54.840 0.098 0.000 0.767 141 L CB -0.826 41.268 42.059 0.059 0.000 0.917 141 L HN 0.086 nan 8.230 nan 0.000 0.441 142 L N -1.442 119.848 121.223 0.111 0.000 2.083 142 L HA -0.217 4.123 4.340 0.001 0.000 0.209 142 L C 2.347 179.292 176.870 0.125 0.000 1.083 142 L CA 1.531 56.427 54.840 0.094 0.000 0.752 142 L CB -0.780 41.329 42.059 0.082 0.000 0.899 142 L HN 0.189 nan 8.230 nan 0.000 0.433 143 F N 0.182 120.154 119.950 0.038 0.000 2.134 143 F HA -0.186 4.341 4.527 0.000 0.000 0.299 143 F C 2.460 178.320 175.800 0.101 0.000 1.097 143 F CA 1.591 59.630 58.000 0.064 0.000 1.264 143 F CB -0.102 38.933 39.000 0.059 0.000 1.001 143 F HN 0.132 nan 8.300 nan 0.000 0.479 144 E N 0.208 120.516 120.200 0.180 0.000 2.077 144 E HA -0.193 4.157 4.350 0.001 0.000 0.193 144 E C 2.410 179.030 176.600 0.034 0.000 0.989 144 E CA 1.064 57.526 56.400 0.102 0.000 0.800 144 E CB -0.344 29.430 29.700 0.123 0.000 0.746 144 E HN 0.462 nan 8.360 nan 0.000 0.452 145 R N -0.219 120.303 120.500 0.037 0.000 2.075 145 R HA -0.078 4.262 4.340 0.001 0.000 0.232 145 R C 2.487 178.794 176.300 0.013 0.000 1.126 145 R CA 1.195 57.312 56.100 0.028 0.000 0.963 145 R CB -0.531 29.791 30.300 0.036 0.000 0.858 145 R HN 0.183 nan 8.270 nan 0.000 0.435 146 G N 1.319 110.103 108.800 -0.026 0.000 2.440 146 G HA2 -0.335 3.626 3.960 0.001 0.000 0.218 146 G HA3 -0.335 3.626 3.960 0.001 0.000 0.218 146 G C 1.355 176.209 174.900 -0.078 0.000 1.154 146 G CA 0.928 46.017 45.100 -0.018 0.000 0.767 146 G HN 0.265 nan 8.290 nan 0.000 0.552 147 K N 0.480 120.796 120.400 -0.140 0.000 2.063 147 K HA -0.098 4.223 4.320 0.001 0.000 0.208 147 K C 2.352 178.955 176.600 0.005 0.000 1.048 147 K CA 1.624 57.900 56.287 -0.019 0.000 0.928 147 K CB -0.174 32.362 32.500 0.061 0.000 0.713 147 K HN 0.412 nan 8.250 nan 0.000 0.442 148 E N -0.170 120.034 120.200 0.007 0.000 2.106 148 E HA -0.119 4.231 4.350 0.001 0.000 0.192 148 E C 2.016 178.609 176.600 -0.012 0.000 0.984 148 E CA 1.332 57.741 56.400 0.015 0.000 0.806 148 E CB 0.088 29.802 29.700 0.023 0.000 0.750 148 E HN 0.241 nan 8.360 nan 0.000 0.458 149 S N 0.788 116.468 115.700 -0.032 0.000 2.382 149 S HA -0.100 4.370 4.470 0.001 0.000 0.228 149 S C 1.958 176.462 174.600 -0.161 0.000 1.027 149 S CA 0.717 58.865 58.200 -0.086 0.000 0.991 149 S CB -0.111 63.038 63.200 -0.086 0.000 0.823 149 S HN 0.183 nan 8.310 nan 0.000 0.469 150 L N 1.156 122.266 121.223 -0.189 0.000 2.056 150 L HA -0.109 4.231 4.340 0.001 0.000 0.207 150 L C 2.617 179.443 176.870 -0.074 0.000 1.078 150 L CA 1.210 55.916 54.840 -0.223 0.000 0.749 150 L CB -0.503 41.353 42.059 -0.338 0.000 0.901 150 L HN 0.325 nan 8.230 nan 0.000 0.433 151 E N -0.178 120.008 120.200 -0.024 0.000 2.058 151 E HA -0.207 4.144 4.350 0.001 0.000 0.194 151 E C 2.317 178.980 176.600 0.104 0.000 0.997 151 E CA 1.698 58.126 56.400 0.047 0.000 0.801 151 E CB -0.003 29.730 29.700 0.055 0.000 0.746 151 E HN 0.386 nan 8.360 nan 0.000 0.450 152 S N 0.809 116.534 115.700 0.042 0.000 2.370 152 S HA -0.211 4.260 4.470 0.001 0.000 0.226 152 S C 1.900 176.516 174.600 0.026 0.000 1.033 152 S CA 1.375 59.596 58.200 0.035 0.000 1.011 152 S CB -0.226 62.971 63.200 -0.005 0.000 0.852 152 S HN 0.217 nan 8.310 nan 0.000 0.457 153 E N 1.060 121.247 120.200 -0.020 0.000 2.153 153 E HA -0.123 4.228 4.350 0.001 0.000 0.194 153 E C 1.598 178.205 176.600 0.013 0.000 0.988 153 E CA 0.919 57.290 56.400 -0.048 0.000 0.811 153 E CB -0.428 29.190 29.700 -0.137 0.000 0.746 153 E HN 0.500 nan 8.360 nan 0.000 0.466 154 F N 1.183 121.109 119.950 -0.040 0.000 2.075 154 F HA -0.141 4.386 4.527 0.000 0.000 0.297 154 F C 2.479 178.318 175.800 0.064 0.000 1.113 154 F CA 2.225 60.237 58.000 0.020 0.000 1.218 154 F CB -0.346 38.679 39.000 0.042 0.000 0.984 154 F HN -0.030 nan 8.300 nan 0.000 0.472 155 R N 0.499 121.110 120.500 0.184 0.000 2.080 155 R HA -0.186 4.155 4.340 0.001 0.000 0.236 155 R C 2.446 178.723 176.300 -0.038 0.000 1.137 155 R CA 2.264 58.414 56.100 0.084 0.000 0.943 155 R CB -0.750 29.626 30.300 0.127 0.000 0.846 155 R HN 0.488 nan 8.270 nan 0.000 0.431 156 S N 0.917 116.601 115.700 -0.026 0.000 2.383 156 S HA -0.167 4.303 4.470 0.001 0.000 0.229 156 S C 2.170 176.734 174.600 -0.061 0.000 1.030 156 S CA 1.376 59.548 58.200 -0.047 0.000 1.002 156 S CB -0.604 62.572 63.200 -0.041 0.000 0.829 156 S HN 0.363 nan 8.310 nan 0.000 0.467 157 L N 0.007 121.190 121.223 -0.066 0.000 2.056 157 L HA -0.025 4.315 4.340 0.001 0.000 0.207 157 L C 2.894 179.768 176.870 0.006 0.000 1.078 157 L CA 1.020 55.867 54.840 0.012 0.000 0.749 157 L CB -0.515 41.514 42.059 -0.050 0.000 0.901 157 L HN 0.302 nan 8.230 nan 0.000 0.433 158 M N -0.848 118.655 119.600 -0.161 0.000 2.132 158 M HA -0.127 4.353 4.480 0.001 0.000 0.263 158 M C 2.355 178.604 176.300 -0.084 0.000 1.065 158 M CA 1.733 56.944 55.300 -0.148 0.000 1.122 158 M CB -1.433 31.013 32.600 -0.256 0.000 1.365 158 M HN 0.198 nan 8.290 nan 0.000 0.411 159 T N 0.577 115.079 114.554 -0.088 0.000 2.737 159 T HA -0.129 4.221 4.350 0.001 0.000 0.265 159 T C 2.221 176.858 174.700 -0.106 0.000 1.038 159 T CA 2.339 64.391 62.100 -0.080 0.000 1.144 159 T CB -0.467 68.361 68.868 -0.067 0.000 0.866 159 T HN 0.568 nan 8.240 nan 0.000 0.434 160 R N 1.141 121.545 120.500 -0.159 0.000 2.148 160 R HA -0.048 4.293 4.340 0.001 0.000 0.227 160 R C 1.929 177.964 176.300 -0.441 0.000 1.103 160 R CA 1.471 57.384 56.100 -0.312 0.000 0.983 160 R CB -1.259 28.789 30.300 -0.420 0.000 0.874 160 R HN 0.648 nan 8.270 nan 0.000 0.451 161 H N -1.001 118.040 119.070 -0.049 0.000 2.874 161 H HA 0.288 4.844 4.556 0.001 0.000 0.264 161 H C -0.065 175.250 175.328 -0.021 0.000 1.007 161 H CA -0.073 55.955 56.048 -0.032 0.000 1.207 161 H CB 0.676 30.418 29.762 -0.032 0.000 1.487 161 H HN 0.298 nan 8.280 nan 0.000 0.505 162 S N 1.937 117.663 115.700 0.043 0.000 2.430 162 S HA 0.406 4.876 4.470 0.001 0.000 0.282 162 S C 0.706 175.314 174.600 0.013 0.000 1.186 162 S CA -0.247 57.963 58.200 0.016 0.000 1.060 162 S CB 0.554 63.724 63.200 -0.049 0.000 0.966 162 S HN 0.509 nan 8.310 nan 0.000 0.501 163 K N 2.127 122.554 120.400 0.045 0.000 2.281 163 K HA 0.738 5.058 4.320 0.001 0.000 0.242 163 K C -0.380 176.246 176.600 0.044 0.000 0.971 163 K CA -0.785 55.523 56.287 0.035 0.000 0.834 163 K CB 0.706 33.231 32.500 0.040 0.000 1.181 163 K HN 0.447 nan 8.250 nan 0.000 0.435 164 V N 1.649 121.580 119.914 0.029 0.000 2.649 164 V HA 0.234 4.354 4.120 0.001 0.000 0.292 164 V C 0.281 176.398 176.094 0.039 0.000 1.055 164 V CA -0.778 61.542 62.300 0.033 0.000 1.023 164 V CB 1.545 33.381 31.823 0.022 0.000 0.992 164 V HN 0.580 nan 8.190 nan 0.000 0.480 165 V N 4.852 124.797 119.914 0.051 0.000 2.530 165 V HA 0.202 4.322 4.120 0.001 0.000 0.282 165 V C 0.719 176.826 176.094 0.022 0.000 1.048 165 V CA -0.263 62.063 62.300 0.044 0.000 0.997 165 V CB 1.491 33.352 31.823 0.063 0.000 0.987 165 V HN 1.096 nan 8.190 nan 0.000 0.477 166 S N 5.326 121.026 115.700 -0.000 0.000 2.568 166 S HA 0.150 4.620 4.470 0.001 0.000 0.282 166 S C -1.692 172.883 174.600 -0.042 0.000 1.338 166 S CA -0.672 57.508 58.200 -0.033 0.000 1.045 166 S CB 0.775 63.946 63.200 -0.048 0.000 0.873 166 S HN 0.560 nan 8.310 nan 0.000 0.516 167 P HA -0.114 nan 4.420 nan 0.000 0.214 167 P C 1.620 178.867 177.300 -0.088 0.000 1.163 167 P CA 0.840 63.859 63.100 -0.135 0.000 0.889 167 P CB -0.135 31.251 31.700 -0.524 0.000 0.790 168 V N -0.465 119.347 119.914 -0.171 0.000 2.332 168 V HA -0.230 3.890 4.120 0.001 0.000 0.248 168 V C 2.432 178.525 176.094 -0.002 0.000 1.055 168 V CA 1.562 63.828 62.300 -0.056 0.000 1.038 168 V CB -1.205 30.577 31.823 -0.069 0.000 0.651 168 V HN 0.122 nan 8.190 nan 0.000 0.450 169 L N -0.979 120.238 121.223 -0.011 0.000 2.083 169 L HA -0.158 4.182 4.340 0.001 0.000 0.209 169 L C 2.357 179.249 176.870 0.038 0.000 1.083 169 L CA 1.483 56.328 54.840 0.009 0.000 0.752 169 L CB -0.132 41.926 42.059 -0.002 0.000 0.899 169 L HN 0.317 nan 8.230 nan 0.000 0.433 170 L N -0.687 120.570 121.223 0.057 0.000 2.017 170 L HA -0.270 4.070 4.340 0.001 0.000 0.208 170 L C 2.493 179.440 176.870 0.128 0.000 1.073 170 L CA 1.234 56.131 54.840 0.096 0.000 0.745 170 L CB -0.285 41.848 42.059 0.124 0.000 0.894 170 L HN 0.301 nan 8.230 nan 0.000 0.432 171 L N -0.705 120.602 121.223 0.140 0.000 2.083 171 L HA -0.254 4.086 4.340 0.001 0.000 0.209 171 L C 2.171 179.116 176.870 0.125 0.000 1.083 171 L CA 1.107 56.047 54.840 0.166 0.000 0.752 171 L CB -0.596 41.536 42.059 0.121 0.000 0.899 171 L HN 0.334 nan 8.230 nan 0.000 0.433 172 D N 0.193 120.642 120.400 0.082 0.000 2.123 172 D HA -0.129 4.512 4.640 0.001 0.000 0.200 172 D C 2.503 178.841 176.300 0.062 0.000 0.976 172 D CA 1.630 55.666 54.000 0.061 0.000 0.831 172 D CB -0.126 40.696 40.800 0.037 0.000 0.974 172 D HN 0.300 nan 8.370 nan 0.000 0.469 173 L N 0.813 122.073 121.223 0.063 0.000 2.042 173 L HA -0.104 4.236 4.340 0.001 0.000 0.210 173 L C 2.601 179.513 176.870 0.069 0.000 1.076 173 L CA 1.482 56.356 54.840 0.056 0.000 0.749 173 L CB -1.536 40.554 42.059 0.053 0.000 0.893 173 L HN 0.026 nan 8.230 nan 0.000 0.432 174 I N -0.790 119.839 120.570 0.099 0.000 2.193 174 I HA -0.229 3.942 4.170 0.001 0.000 0.240 174 I C 2.887 179.062 176.117 0.096 0.000 1.084 174 I CA 1.529 62.894 61.300 0.108 0.000 1.365 174 I CB -0.447 37.651 38.000 0.163 0.000 1.064 174 I HN 0.462 nan 8.210 nan 0.000 0.410 175 S N 0.702 116.469 115.700 0.111 0.000 2.392 175 S HA -0.267 4.203 4.470 0.001 0.000 0.232 175 S C 2.081 176.720 174.600 0.065 0.000 1.041 175 S CA 1.755 60.011 58.200 0.093 0.000 1.026 175 S CB -0.210 63.044 63.200 0.090 0.000 0.845 175 S HN 0.481 nan 8.310 nan 0.000 0.465 176 A N 0.359 123.213 122.820 0.057 0.000 1.855 176 A HA 0.186 4.506 4.320 0.001 0.000 0.213 176 A C 0.975 178.582 177.584 0.039 0.000 1.195 176 A CA 1.236 53.298 52.037 0.042 0.000 0.610 176 A CB -0.626 18.394 19.000 0.035 0.000 0.837 176 A HN 0.712 nan 8.150 nan 0.000 0.444 177 D N -0.172 120.254 120.400 0.043 0.000 3.061 177 D HA -0.100 4.540 4.640 0.001 0.000 0.252 177 D C -0.499 175.819 176.300 0.028 0.000 1.080 177 D CA 0.874 54.897 54.000 0.038 0.000 0.871 177 D CB -1.129 39.694 40.800 0.039 0.000 1.018 177 D HN 0.667 nan 8.370 nan 0.000 0.425 178 D N 0.282 120.697 120.400 0.026 0.000 2.595 178 D HA 0.353 4.993 4.640 0.001 0.000 0.268 178 D C 0.724 177.033 176.300 0.016 0.000 1.181 178 D CA -0.752 53.260 54.000 0.019 0.000 1.085 178 D CB 0.299 41.109 40.800 0.017 0.000 1.186 178 D HN 0.426 nan 8.370 nan 0.000 0.621 189 E N 3.532 123.589 120.200 -0.238 0.000 2.104 189 E HA 0.154 4.504 4.350 0.001 0.000 0.278 189 E C 0.239 176.727 176.600 -0.186 0.000 1.127 189 E CA -0.259 56.034 56.400 -0.178 0.000 0.897 189 E CB 0.524 30.176 29.700 -0.080 0.000 1.043 189 E HN 0.531 nan 8.360 nan 0.000 0.410 190 H N 2.103 121.182 119.070 0.016 0.000 2.436 190 H HA 0.110 4.666 4.556 0.001 0.000 0.294 190 H C 0.431 175.771 175.328 0.020 0.000 1.048 190 H CA 0.840 56.901 56.048 0.021 0.000 1.353 190 H CB 0.516 30.296 29.762 0.031 0.000 1.414 190 H HN 0.316 nan 8.280 nan 0.000 0.536 191 L N 0.427 121.716 121.223 0.110 0.000 2.409 191 L HA 0.371 4.711 4.340 0.001 0.000 0.262 191 L C -2.427 174.420 176.870 -0.039 0.000 0.992 191 L CA -2.222 52.635 54.840 0.028 0.000 0.817 191 L CB 2.585 44.652 42.059 0.012 0.000 1.350 191 L HN -0.195 nan 8.230 nan 0.000 0.411 192 P HA 0.083 nan 4.420 nan 0.000 0.266 192 P C 0.714 177.959 177.300 -0.092 0.000 1.193 192 P CA 0.270 63.307 63.100 -0.105 0.000 0.770 192 P CB 0.653 32.252 31.700 -0.169 0.000 0.836 193 E N 1.329 121.494 120.200 -0.058 0.000 2.160 193 E HA -0.241 4.109 4.350 0.001 0.000 0.195 193 E C 1.912 178.481 176.600 -0.052 0.000 0.991 193 E CA 2.162 58.537 56.400 -0.042 0.000 0.810 193 E CB -1.426 28.258 29.700 -0.028 0.000 0.742 193 E HN 0.602 nan 8.360 nan 0.000 0.466 194 S N -0.145 115.513 115.700 -0.070 0.000 2.368 194 S HA -0.101 4.370 4.470 0.001 0.000 0.224 194 S C 2.263 176.805 174.600 -0.095 0.000 1.029 194 S CA 1.279 59.437 58.200 -0.069 0.000 0.988 194 S CB -0.344 62.816 63.200 -0.066 0.000 0.838 194 S HN 0.406 nan 8.310 nan 0.000 0.462 195 V N 2.030 121.843 119.914 -0.168 0.000 2.343 195 V HA -0.097 4.024 4.120 0.001 0.000 0.247 195 V C 2.515 178.544 176.094 -0.108 0.000 1.051 195 V CA 1.714 63.889 62.300 -0.209 0.000 1.036 195 V CB -0.980 30.559 31.823 -0.472 0.000 0.654 195 V HN 0.471 nan 8.190 nan 0.000 0.451 196 L N 0.564 121.742 121.223 -0.076 0.000 2.012 196 L HA -0.191 4.150 4.340 0.001 0.000 0.210 196 L C 2.746 179.616 176.870 -0.000 0.000 1.073 196 L CA 2.072 56.902 54.840 -0.016 0.000 0.748 196 L CB -0.700 41.360 42.059 0.003 0.000 0.891 196 L HN 0.151 nan 8.230 nan 0.000 0.431 197 R N -0.289 120.204 120.500 -0.011 0.000 2.096 197 R HA -0.184 4.156 4.340 0.001 0.000 0.240 197 R C 2.004 178.310 176.300 0.010 0.000 1.139 197 R CA 1.570 57.671 56.100 0.002 0.000 0.952 197 R CB -1.664 28.632 30.300 -0.006 0.000 0.854 197 R HN 0.636 nan 8.270 nan 0.000 0.436 198 D N -0.064 120.331 120.400 -0.009 0.000 2.084 198 D HA -0.127 4.513 4.640 0.001 0.000 0.194 198 D C 2.112 178.433 176.300 0.035 0.000 0.990 198 D CA 1.935 55.932 54.000 -0.004 0.000 0.826 198 D CB -0.746 40.033 40.800 -0.035 0.000 0.971 198 D HN 0.354 nan 8.370 nan 0.000 0.453 199 V N -0.713 119.221 119.914 0.034 0.000 2.392 199 V HA -0.207 3.913 4.120 0.001 0.000 0.249 199 V C 2.344 178.569 176.094 0.217 0.000 1.059 199 V CA 1.343 63.717 62.300 0.124 0.000 1.051 199 V CB -1.080 30.747 31.823 0.007 0.000 0.658 199 V HN 0.028 nan 8.190 nan 0.000 0.455 200 V N 0.630 120.619 119.914 0.125 0.000 2.295 200 V HA -0.199 3.921 4.120 0.001 0.000 0.246 200 V C 2.863 179.017 176.094 0.100 0.000 1.049 200 V CA 2.514 64.879 62.300 0.107 0.000 1.024 200 V CB -0.951 30.910 31.823 0.062 0.000 0.648 200 V HN 0.607 nan 8.190 nan 0.000 0.447 201 R N 0.611 121.162 120.500 0.084 0.000 2.083 201 R HA -0.119 4.222 4.340 0.001 0.000 0.237 201 R C 1.997 178.365 176.300 0.114 0.000 1.137 201 R CA 1.936 58.090 56.100 0.091 0.000 0.951 201 R CB -0.851 29.487 30.300 0.062 0.000 0.851 201 R HN 0.529 nan 8.270 nan 0.000 0.434 202 I N -0.128 120.496 120.570 0.090 0.000 2.226 202 I HA -0.270 3.901 4.170 0.001 0.000 0.245 202 I C 2.393 178.490 176.117 -0.033 0.000 1.100 202 I CA 1.603 62.938 61.300 0.059 0.000 1.374 202 I CB -0.490 37.567 38.000 0.094 0.000 1.057 202 I HN 0.285 nan 8.210 nan 0.000 0.413 203 S N 0.944 116.626 115.700 -0.030 0.000 2.356 203 S HA -0.197 4.273 4.470 0.001 0.000 0.223 203 S C 2.197 176.742 174.600 -0.092 0.000 1.032 203 S CA 1.433 59.506 58.200 -0.213 0.000 1.005 203 S CB -0.156 63.117 63.200 0.122 0.000 0.867 203 S HN 0.322 nan 8.310 nan 0.000 0.449 204 R N -1.041 119.481 120.500 0.037 0.000 2.096 204 R HA -0.116 4.224 4.340 0.001 0.000 0.235 204 R C 2.122 178.455 176.300 0.055 0.000 1.127 204 R CA 1.759 57.886 56.100 0.045 0.000 0.968 204 R CB -0.489 29.850 30.300 0.064 0.000 0.861 204 R HN 0.625 nan 8.270 nan 0.000 0.440 205 W N 1.305 122.578 121.300 -0.045 0.000 2.378 205 W HA -0.116 4.545 4.660 0.000 0.000 0.313 205 W C 1.644 178.160 176.519 -0.005 0.000 1.197 205 W CA 1.237 58.612 57.345 0.049 0.000 1.304 205 W CB -0.235 29.286 29.460 0.102 0.000 1.148 205 W HN -0.059 nan 8.180 nan 0.000 0.494 206 L N -0.117 121.220 121.223 0.191 0.000 2.127 206 L HA -0.263 4.077 4.340 0.001 0.000 0.211 206 L C 2.168 178.957 176.870 -0.134 0.000 1.089 206 L CA 1.042 55.855 54.840 -0.045 0.000 0.757 206 L CB -1.232 40.509 42.059 -0.530 0.000 0.899 206 L HN -0.091 nan 8.230 nan 0.000 0.434 207 V N 0.768 120.611 119.914 -0.117 0.000 2.343 207 V HA -0.273 3.847 4.120 0.001 0.000 0.247 207 V C 2.309 178.312 176.094 -0.152 0.000 1.051 207 V CA 2.316 64.592 62.300 -0.040 0.000 1.036 207 V CB -0.551 31.279 31.823 0.012 0.000 0.654 207 V HN 0.686 nan 8.190 nan 0.000 0.451 208 E N -2.120 117.868 120.200 -0.353 0.000 2.472 208 E HA -0.028 4.322 4.350 0.001 0.000 0.196 208 E C 1.475 177.656 176.600 -0.698 0.000 1.033 208 E CA 0.443 56.526 56.400 -0.529 0.000 0.886 208 E CB -0.039 29.258 29.700 -0.670 0.000 0.944 208 E HN 0.725 nan 8.360 nan 0.000 0.492 209 Y N 0.669 120.713 120.300 -0.427 0.000 2.430 209 Y HA 0.336 4.886 4.550 0.001 0.000 0.254 209 Y C 1.458 177.211 175.900 -0.244 0.000 1.088 209 Y CA -0.486 57.336 58.100 -0.463 0.000 1.267 209 Y CB 1.037 38.829 38.460 -1.113 0.000 1.204 209 Y HN 0.070 nan 8.280 nan 0.000 0.515 210 G N 0.306 109.067 108.800 -0.065 0.000 2.539 210 G HA2 0.390 4.350 3.960 0.001 0.000 0.258 210 G HA3 0.390 4.350 3.960 0.001 0.000 0.258 210 G C 0.911 175.841 174.900 0.049 0.000 1.202 210 G CA 0.197 45.319 45.100 0.036 0.000 0.851 210 G HN 0.315 nan 8.290 nan 0.000 0.556 211 R N 0.016 120.559 120.500 0.072 0.000 2.210 211 R HA 0.181 4.522 4.340 0.001 0.000 0.203 211 R C 1.009 177.344 176.300 0.058 0.000 1.010 211 R CA 1.585 57.722 56.100 0.063 0.000 1.008 211 R CB -1.027 29.313 30.300 0.067 0.000 0.923 211 R HN 0.948 nan 8.270 nan 0.000 0.469 212 N N -3.028 115.715 118.700 0.071 0.000 2.853 212 N HA 0.261 5.002 4.740 0.001 0.000 0.258 212 N C -0.696 174.866 175.510 0.086 0.000 1.444 212 N CA -0.841 52.245 53.050 0.060 0.000 0.837 212 N CB 1.049 39.565 38.487 0.048 0.000 1.489 212 N HN -0.113 nan 8.380 nan 0.000 0.529 213 Q N -0.600 119.196 119.800 -0.006 0.000 2.201 213 Q HA 0.291 4.631 4.340 0.001 0.000 0.236 213 Q C -0.459 175.400 176.000 -0.235 0.000 0.857 213 Q CA -0.083 55.631 55.803 -0.149 0.000 1.025 213 Q CB 0.060 28.563 28.738 -0.392 0.000 1.124 213 Q HN 0.560 nan 8.270 nan 0.000 0.473 214 D N -0.370 120.000 120.400 -0.049 0.000 2.309 214 D HA -0.156 4.485 4.640 0.001 0.000 0.212 214 D C 1.130 177.383 176.300 -0.078 0.000 0.968 214 D CA 0.660 54.625 54.000 -0.059 0.000 0.882 214 D CB -0.100 40.707 40.800 0.012 0.000 0.918 214 D HN 0.493 nan 8.370 nan 0.000 0.503 215 F N -0.923 118.935 119.950 -0.153 0.000 2.407 215 F HA 0.084 4.611 4.527 0.000 0.000 0.299 215 F C 1.980 177.664 175.800 -0.193 0.000 1.097 215 F CA 0.396 58.255 58.000 -0.234 0.000 1.422 215 F CB -0.580 38.087 39.000 -0.556 0.000 1.067 215 F HN -0.159 nan 8.300 nan 0.000 0.539 216 M N 0.924 119.854 119.600 -1.117 0.000 2.175 216 M HA -0.140 4.340 4.480 0.001 0.000 0.264 216 M C 1.703 177.871 176.300 -0.220 0.000 1.063 216 M CA 1.309 56.173 55.300 -0.726 0.000 1.119 216 M CB -0.577 31.573 32.600 -0.749 0.000 1.377 216 M HN 0.200 nan 8.290 nan 0.000 0.415 217 N N 0.353 118.893 118.700 -0.267 0.000 2.142 217 N HA -0.098 4.642 4.740 0.001 0.000 0.186 217 N C 1.762 176.938 175.510 -0.557 0.000 1.023 217 N CA 1.217 53.986 53.050 -0.468 0.000 0.852 217 N CB -0.595 37.725 38.487 -0.279 0.000 0.998 217 N HN 0.169 nan 8.380 nan 0.000 0.424 218 V N 1.014 120.811 119.914 -0.195 0.000 2.469 218 V HA -0.246 3.874 4.120 0.001 0.000 0.251 218 V C 2.048 178.173 176.094 0.051 0.000 1.064 218 V CA 1.370 63.647 62.300 -0.038 0.000 1.066 218 V CB -0.681 31.244 31.823 0.169 0.000 0.667 218 V HN 0.280 nan 8.190 nan 0.000 0.461 219 Y N 1.044 121.380 120.300 0.059 0.000 2.133 219 Y HA -0.290 4.260 4.550 0.000 0.000 0.287 219 Y C 2.519 178.462 175.900 0.072 0.000 1.134 219 Y CA 2.142 60.343 58.100 0.168 0.000 1.133 219 Y CB -0.629 37.989 38.460 0.263 0.000 0.987 219 Y HN 0.493 nan 8.280 nan 0.000 0.502 220 Y N 0.119 120.479 120.300 0.100 0.000 2.421 220 Y HA -0.035 4.516 4.550 0.001 0.000 0.292 220 Y C 1.840 177.694 175.900 -0.076 0.000 1.136 220 Y CA 1.075 59.159 58.100 -0.026 0.000 1.255 220 Y CB -1.251 37.252 38.460 0.071 0.000 0.991 220 Y HN 0.259 nan 8.280 nan 0.000 0.552 221 Q N 0.449 120.107 119.800 -0.236 0.000 2.123 221 Q HA 0.004 4.345 4.340 0.001 0.000 0.199 221 Q C 2.250 178.212 176.000 -0.062 0.000 0.966 221 Q CA 1.721 57.461 55.803 -0.106 0.000 0.845 221 Q CB -0.033 28.566 28.738 -0.232 0.000 0.907 221 Q HN 0.579 nan 8.270 nan 0.000 0.439 222 I N 0.196 120.696 120.570 -0.118 0.000 2.286 222 I HA -0.201 3.969 4.170 0.001 0.000 0.245 222 I C 2.134 178.166 176.117 -0.142 0.000 1.104 222 I CA 0.624 61.854 61.300 -0.116 0.000 1.397 222 I CB -0.099 37.825 38.000 -0.128 0.000 1.072 222 I HN 0.109 nan 8.210 nan 0.000 0.417 223 R N 0.311 120.670 120.500 -0.236 0.000 2.092 223 R HA -0.081 4.260 4.340 0.001 0.000 0.231 223 R C 2.445 178.678 176.300 -0.113 0.000 1.119 223 R CA 1.293 57.250 56.100 -0.239 0.000 0.970 223 R CB -1.158 28.896 30.300 -0.409 0.000 0.864 223 R HN 0.278 nan 8.270 nan 0.000 0.440 224 S N 0.603 116.275 115.700 -0.046 0.000 2.368 224 S HA -0.162 4.308 4.470 0.001 0.000 0.225 224 S C 2.144 176.747 174.600 0.005 0.000 1.030 224 S CA 1.927 60.130 58.200 0.005 0.000 0.999 224 S CB -0.251 63.000 63.200 0.085 0.000 0.844 224 S HN 0.400 nan 8.310 nan 0.000 0.459 225 S N 0.371 116.070 115.700 -0.002 0.000 2.370 225 S HA -0.135 4.335 4.470 0.001 0.000 0.226 225 S C 2.037 176.636 174.600 -0.002 0.000 1.033 225 S CA 1.409 59.610 58.200 0.002 0.000 1.011 225 S CB -0.576 62.619 63.200 -0.008 0.000 0.852 225 S HN 0.602 nan 8.310 nan 0.000 0.457 226 Q N 0.408 120.196 119.800 -0.020 0.000 2.172 226 Q HA 0.050 4.391 4.340 0.001 0.000 0.200 226 Q C 2.178 178.180 176.000 0.003 0.000 0.964 226 Q CA 0.726 56.523 55.803 -0.011 0.000 0.855 226 Q CB -0.797 27.927 28.738 -0.025 0.000 0.918 226 Q HN 0.556 nan 8.270 nan 0.000 0.444 227 L N 1.571 122.789 121.223 -0.009 0.000 1.994 227 L HA -0.164 4.177 4.340 0.001 0.000 0.208 227 L C 1.865 178.764 176.870 0.050 0.000 1.071 227 L CA 2.182 57.025 54.840 0.006 0.000 0.745 227 L CB -0.870 41.175 42.059 -0.023 0.000 0.892 227 L HN 0.063 nan 8.230 nan 0.000 0.431 228 D N -0.602 119.830 120.400 0.054 0.000 2.104 228 D HA -0.217 4.423 4.640 0.001 0.000 0.194 228 D C 2.349 178.688 176.300 0.065 0.000 0.994 228 D CA 1.436 55.480 54.000 0.072 0.000 0.830 228 D CB -0.013 40.822 40.800 0.058 0.000 0.959 228 D HN 0.276 nan 8.370 nan 0.000 0.452 229 R N -0.264 120.264 120.500 0.047 0.000 2.081 229 R HA -0.046 4.294 4.340 0.001 0.000 0.235 229 R C 2.532 178.864 176.300 0.054 0.000 1.131 229 R CA 1.315 57.442 56.100 0.044 0.000 0.960 229 R CB -0.198 30.120 30.300 0.029 0.000 0.856 229 R HN 0.090 nan 8.270 nan 0.000 0.436 230 S N 0.716 116.449 115.700 0.055 0.000 2.382 230 S HA -0.100 4.370 4.470 0.001 0.000 0.228 230 S C 1.904 176.557 174.600 0.088 0.000 1.027 230 S CA 1.088 59.327 58.200 0.065 0.000 0.991 230 S CB -0.120 63.118 63.200 0.063 0.000 0.823 230 S HN 0.242 nan 8.310 nan 0.000 0.469 231 I N 1.051 121.680 120.570 0.099 0.000 2.286 231 I HA -0.141 4.030 4.170 0.001 0.000 0.245 231 I C 2.290 178.473 176.117 0.111 0.000 1.104 231 I CA 1.090 62.461 61.300 0.118 0.000 1.397 231 I CB -0.260 37.825 38.000 0.142 0.000 1.072 231 I HN 0.184 nan 8.210 nan 0.000 0.417 232 K N 0.887 121.344 120.400 0.096 0.000 2.211 232 K HA -0.077 4.244 4.320 0.001 0.000 0.203 232 K C 2.122 178.782 176.600 0.100 0.000 1.050 232 K CA 1.244 57.585 56.287 0.091 0.000 0.945 232 K CB -0.328 32.216 32.500 0.072 0.000 0.732 232 K HN 0.422 nan 8.250 nan 0.000 0.451 233 G N 1.374 110.230 108.800 0.094 0.000 2.422 233 G HA2 -0.214 3.746 3.960 0.001 0.000 0.218 233 G HA3 -0.214 3.746 3.960 0.001 0.000 0.218 233 G C 1.392 176.379 174.900 0.145 0.000 1.140 233 G CA 0.251 45.408 45.100 0.094 0.000 0.775 233 G HN 0.149 nan 8.290 nan 0.000 0.545 234 L N 0.793 122.120 121.223 0.173 0.000 2.093 234 L HA 0.124 4.464 4.340 0.001 0.000 0.208 234 L C 2.574 179.662 176.870 0.364 0.000 1.085 234 L CA 2.258 57.264 54.840 0.277 0.000 0.755 234 L CB -0.480 41.731 42.059 0.254 0.000 0.904 234 L HN 0.253 nan 8.230 nan 0.000 0.435 235 K N -0.545 119.991 120.400 0.225 0.000 2.002 235 K HA -0.253 4.068 4.320 0.001 0.000 0.209 235 K C 2.078 178.811 176.600 0.221 0.000 1.048 235 K CA 1.634 58.030 56.287 0.181 0.000 0.930 235 K CB -0.180 32.387 32.500 0.112 0.000 0.714 235 K HN 0.241 nan 8.250 nan 0.000 0.438 236 E N 0.242 120.551 120.200 0.182 0.000 2.265 236 E HA -0.213 4.138 4.350 0.001 0.000 0.196 236 E C 1.679 178.403 176.600 0.206 0.000 0.996 236 E CA 1.289 57.783 56.400 0.157 0.000 0.832 236 E CB -0.192 29.576 29.700 0.114 0.000 0.756 236 E HN 0.499 nan 8.360 nan 0.000 0.491 237 H N -1.629 117.519 119.070 0.130 0.000 2.326 237 H HA -0.115 4.441 4.556 0.001 0.000 0.301 237 H C 1.499 176.850 175.328 0.038 0.000 1.081 237 H CA 1.335 57.420 56.048 0.061 0.000 1.334 237 H CB -0.084 29.696 29.762 0.030 0.000 1.385 237 H HN 0.228 nan 8.280 nan 0.000 0.504 238 F N 1.084 120.969 119.950 -0.108 0.000 2.134 238 F HA -0.125 4.402 4.527 0.000 0.000 0.299 238 F C 2.986 178.731 175.800 -0.091 0.000 1.097 238 F CA 1.418 59.306 58.000 -0.187 0.000 1.264 238 F CB -0.393 38.538 39.000 -0.116 0.000 1.001 238 F HN 0.097 nan 8.300 nan 0.000 0.479 239 R N 0.867 121.472 120.500 0.174 0.000 2.241 239 R HA -0.134 4.207 4.340 0.001 0.000 0.224 239 R C 2.297 178.634 176.300 0.061 0.000 1.101 239 R CA 1.497 57.658 56.100 0.102 0.000 0.995 239 R CB -0.175 30.182 30.300 0.096 0.000 0.870 239 R HN 0.301 nan 8.270 nan 0.000 0.463 240 K N 0.107 120.541 120.400 0.055 0.000 2.078 240 K HA 0.122 4.442 4.320 0.001 0.000 0.203 240 K C 1.213 177.812 176.600 -0.001 0.000 1.043 240 K CA 1.063 57.375 56.287 0.043 0.000 0.960 240 K CB -0.550 32.004 32.500 0.089 0.000 0.761 240 K HN 0.201 nan 8.250 nan 0.000 0.448 276 D N -0.311 120.117 120.400 0.046 0.000 2.348 276 D HA 0.186 4.826 4.640 0.001 0.000 0.216 276 D C 1.609 177.947 176.300 0.063 0.000 0.970 276 D CA 1.719 55.752 54.000 0.056 0.000 0.889 276 D CB 0.086 40.923 40.800 0.062 0.000 0.912 276 D HN 0.322 nan 8.370 nan 0.000 0.524 277 V N 0.328 120.280 119.914 0.063 0.000 2.229 277 V HA -0.171 3.949 4.120 0.001 0.000 0.243 277 V C 2.561 178.681 176.094 0.043 0.000 1.042 277 V CA 1.911 64.263 62.300 0.086 0.000 1.000 277 V CB -1.183 30.692 31.823 0.086 0.000 0.637 277 V HN 0.491 nan 8.190 nan 0.000 0.446 278 E N 0.011 120.228 120.200 0.029 0.000 2.097 278 E HA -0.248 4.102 4.350 0.001 0.000 0.196 278 E C 2.364 178.966 176.600 0.004 0.000 1.000 278 E CA 1.880 58.285 56.400 0.008 0.000 0.804 278 E CB -1.253 28.451 29.700 0.007 0.000 0.740 278 E HN 0.843 nan 8.360 nan 0.000 0.454 279 T N 0.389 114.954 114.554 0.018 0.000 2.746 279 T HA -0.171 4.180 4.350 0.001 0.000 0.267 279 T C 1.719 176.432 174.700 0.023 0.000 1.039 279 T CA 1.523 63.647 62.100 0.040 0.000 1.142 279 T CB -0.437 68.459 68.868 0.046 0.000 0.866 279 T HN 0.228 nan 8.240 nan 0.000 0.444 280 D N 0.922 121.316 120.400 -0.010 0.000 2.117 280 D HA 0.033 4.673 4.640 0.001 0.000 0.198 280 D C 2.255 178.336 176.300 -0.364 0.000 0.982 280 D CA 1.126 55.104 54.000 -0.037 0.000 0.828 280 D CB -0.324 40.525 40.800 0.081 0.000 0.967 280 D HN 0.342 nan 8.370 nan 0.000 0.464 281 A N -0.671 121.763 122.820 -0.643 0.000 1.930 281 A HA -0.187 4.133 4.320 0.001 0.000 0.217 281 A C 2.207 179.549 177.584 -0.403 0.000 1.175 281 A CA 1.246 52.654 52.037 -1.047 0.000 0.627 281 A CB -1.085 17.570 19.000 -0.575 0.000 0.815 281 A HN 0.423 nan 8.150 nan 0.000 0.443 282 Y N 0.483 120.636 120.300 -0.244 0.000 2.242 282 Y HA -0.158 4.393 4.550 0.000 0.000 0.291 282 Y C 2.042 177.887 175.900 -0.091 0.000 1.137 282 Y CA 1.188 59.216 58.100 -0.120 0.000 1.181 282 Y CB -0.067 38.346 38.460 -0.079 0.000 0.989 282 Y HN 0.228 nan 8.280 nan 0.000 0.527 283 I N -0.147 120.312 120.570 -0.184 0.000 2.226 283 I HA -0.315 3.855 4.170 0.001 0.000 0.245 283 I C 2.068 177.953 176.117 -0.386 0.000 1.100 283 I CA 1.775 62.853 61.300 -0.371 0.000 1.374 283 I CB -1.443 36.295 38.000 -0.436 0.000 1.057 283 I HN 0.317 nan 8.210 nan 0.000 0.413 284 H N -0.776 118.115 119.070 -0.298 0.000 2.428 284 H HA -0.034 4.523 4.556 0.001 0.000 0.296 284 H C 2.447 177.741 175.328 -0.057 0.000 1.062 284 H CA 1.302 57.280 56.048 -0.117 0.000 1.350 284 H CB -0.355 29.395 29.762 -0.019 0.000 1.403 284 H HN 0.262 nan 8.280 nan 0.000 0.533 285 C N -0.365 118.911 119.300 -0.039 0.000 2.425 285 C HA -0.091 4.369 4.460 0.001 0.000 0.277 285 C C 2.784 177.772 174.990 -0.003 0.000 1.280 285 C CA 0.720 59.726 59.018 -0.019 0.000 1.744 285 C CB -0.655 27.030 27.740 -0.090 0.000 1.989 285 C HN 0.376 nan 8.230 nan 0.000 0.491 286 V N 1.866 121.706 119.914 -0.123 0.000 2.295 286 V HA -0.187 3.933 4.120 0.001 0.000 0.246 286 V C 2.590 178.830 176.094 0.244 0.000 1.049 286 V CA 2.565 64.888 62.300 0.038 0.000 1.024 286 V CB -0.928 30.894 31.823 -0.002 0.000 0.648 286 V HN 0.747 nan 8.190 nan 0.000 0.447 287 S N 0.851 116.689 115.700 0.231 0.000 2.402 287 S HA -0.072 4.399 4.470 0.001 0.000 0.229 287 S C 2.083 176.773 174.600 0.150 0.000 1.021 287 S CA 1.130 59.458 58.200 0.214 0.000 0.974 287 S CB -0.449 62.869 63.200 0.196 0.000 0.800 287 S HN 0.552 nan 8.310 nan 0.000 0.484 288 A N 1.740 124.651 122.820 0.152 0.000 1.877 288 A HA 0.035 4.355 4.320 0.001 0.000 0.216 288 A C 1.945 179.593 177.584 0.107 0.000 1.186 288 A CA 1.473 53.589 52.037 0.132 0.000 0.620 288 A CB -1.232 17.859 19.000 0.151 0.000 0.822 288 A HN 0.580 nan 8.150 nan 0.000 0.443 289 F N 0.774 120.729 119.950 0.008 0.000 2.120 289 F HA -0.200 4.328 4.527 0.000 0.000 0.300 289 F C 2.143 177.870 175.800 -0.122 0.000 1.095 289 F CA 2.069 60.045 58.000 -0.041 0.000 1.249 289 F CB -0.235 38.745 39.000 -0.033 0.000 0.995 289 F HN 0.035 nan 8.300 nan 0.000 0.480 290 V N 0.719 120.601 119.914 -0.053 0.000 2.358 290 V HA -0.265 3.855 4.120 0.001 0.000 0.246 290 V C 2.516 178.504 176.094 -0.177 0.000 1.047 290 V CA 1.881 64.051 62.300 -0.217 0.000 1.035 290 V CB -0.597 31.177 31.823 -0.081 0.000 0.658 290 V HN 0.214 nan 8.190 nan 0.000 0.452 291 K N 0.082 120.438 120.400 -0.073 0.000 2.001 291 K HA -0.032 4.289 4.320 0.001 0.000 0.208 291 K C 2.106 178.677 176.600 -0.049 0.000 1.048 291 K CA 1.348 57.615 56.287 -0.034 0.000 0.932 291 K CB -0.777 31.735 32.500 0.019 0.000 0.715 291 K HN 0.361 nan 8.250 nan 0.000 0.437 292 L N 0.653 121.831 121.223 -0.075 0.000 2.083 292 L HA -0.140 4.201 4.340 0.001 0.000 0.209 292 L C 2.537 179.331 176.870 -0.126 0.000 1.083 292 L CA 1.137 55.941 54.840 -0.060 0.000 0.752 292 L CB -0.625 41.404 42.059 -0.051 0.000 0.899 292 L HN 0.115 nan 8.230 nan 0.000 0.433 293 A N -0.419 122.201 122.820 -0.334 0.000 1.933 293 A HA -0.240 4.080 4.320 0.001 0.000 0.218 293 A C 2.215 179.829 177.584 0.050 0.000 1.175 293 A CA 1.437 53.315 52.037 -0.266 0.000 0.628 293 A CB -0.398 18.201 19.000 -0.669 0.000 0.814 293 A HN 0.461 nan 8.150 nan 0.000 0.444 294 Q N -0.852 118.925 119.800 -0.038 0.000 2.084 294 Q HA -0.142 4.199 4.340 0.001 0.000 0.202 294 Q C 2.477 178.531 176.000 0.090 0.000 0.978 294 Q CA 1.615 57.426 55.803 0.012 0.000 0.844 294 Q CB -0.260 28.466 28.738 -0.019 0.000 0.898 294 Q HN 0.658 nan 8.270 nan 0.000 0.426 295 S N 0.316 116.073 115.700 0.094 0.000 2.353 295 S HA -0.192 4.279 4.470 0.001 0.000 0.222 295 S C 1.791 176.495 174.600 0.174 0.000 1.035 295 S CA 1.158 59.466 58.200 0.180 0.000 1.025 295 S CB -0.095 63.257 63.200 0.254 0.000 0.902 295 S HN 0.286 nan 8.310 nan 0.000 0.440 296 E N -0.009 120.258 120.200 0.113 0.000 2.085 296 E HA -0.176 4.175 4.350 0.001 0.000 0.194 296 E C 1.778 178.512 176.600 0.224 0.000 0.994 296 E CA 1.266 57.731 56.400 0.109 0.000 0.801 296 E CB -0.661 29.127 29.700 0.147 0.000 0.743 296 E HN 0.757 nan 8.360 nan 0.000 0.453 297 Y N 1.400 121.760 120.300 0.100 0.000 2.165 297 Y HA -0.320 4.231 4.550 0.001 0.000 0.286 297 Y C 2.769 178.622 175.900 -0.078 0.000 1.155 297 Y CA 2.900 60.893 58.100 -0.178 0.000 1.164 297 Y CB -0.492 37.635 38.460 -0.554 0.000 0.978 297 Y HN 0.050 nan 8.280 nan 0.000 0.513 298 R N 0.386 120.896 120.500 0.018 0.000 2.070 298 R HA -0.147 4.193 4.340 0.001 0.000 0.233 298 R C 2.180 178.457 176.300 -0.038 0.000 1.137 298 R CA 1.699 57.785 56.100 -0.025 0.000 0.945 298 R CB -1.746 28.592 30.300 0.063 0.000 0.845 298 R HN 0.524 nan 8.270 nan 0.000 0.430 299 L N 0.415 121.670 121.223 0.053 0.000 2.042 299 L HA -0.012 4.328 4.340 0.001 0.000 0.210 299 L C 2.477 179.386 176.870 0.066 0.000 1.076 299 L CA 2.152 57.048 54.840 0.094 0.000 0.749 299 L CB -0.406 41.732 42.059 0.133 0.000 0.893 299 L HN 0.473 nan 8.230 nan 0.000 0.432 300 L N -1.249 120.011 121.223 0.062 0.000 2.083 300 L HA -0.227 4.114 4.340 0.001 0.000 0.209 300 L C 2.404 179.171 176.870 -0.173 0.000 1.083 300 L CA 1.607 56.453 54.840 0.011 0.000 0.752 300 L CB -0.165 41.971 42.059 0.129 0.000 0.899 300 L HN 0.346 nan 8.230 nan 0.000 0.433 301 M N -0.832 118.601 119.600 -0.279 0.000 2.279 301 M HA -0.161 4.320 4.480 0.001 0.000 0.264 301 M C 1.885 178.099 176.300 -0.143 0.000 1.062 301 M CA 1.201 56.334 55.300 -0.278 0.000 1.099 301 M CB -0.231 32.162 32.600 -0.346 0.000 1.394 301 M HN 0.263 nan 8.290 nan 0.000 0.426 302 E N 0.182 120.327 120.200 -0.092 0.000 2.158 302 E HA 0.006 4.356 4.350 0.001 0.000 0.191 302 E C 1.845 178.426 176.600 -0.033 0.000 0.982 302 E CA 1.118 57.492 56.400 -0.043 0.000 0.823 302 E CB 0.071 29.767 29.700 -0.006 0.000 0.766 302 E HN 0.572 nan 8.360 nan 0.000 0.468 303 I N 0.348 120.877 120.570 -0.067 0.000 3.081 303 I HA 0.009 4.180 4.170 0.001 0.000 0.274 303 I C 0.647 176.708 176.117 -0.092 0.000 1.178 303 I CA 0.067 61.329 61.300 -0.064 0.000 1.460 303 I CB 0.501 38.420 38.000 -0.135 0.000 1.137 303 I HN -0.103 nan 8.210 nan 0.000 0.443 304 I N 2.297 122.767 120.570 -0.166 0.000 2.385 304 I HA 0.308 4.478 4.170 0.001 0.000 0.294 304 I C -2.289 173.807 176.117 -0.035 0.000 0.988 304 I CA -2.607 58.622 61.300 -0.117 0.000 1.265 304 I CB 0.300 38.216 38.000 -0.140 0.000 1.388 304 I HN -0.291 nan 8.210 nan 0.000 0.480 305 P HA 0.032 nan 4.420 nan 0.000 0.269 305 P C 1.053 178.355 177.300 0.004 0.000 1.209 305 P CA 0.092 63.215 63.100 0.039 0.000 0.776 305 P CB 0.801 32.581 31.700 0.134 0.000 0.876 306 E N 2.411 122.554 120.200 -0.095 0.000 2.082 306 E HA -0.341 4.009 4.350 0.001 0.000 0.215 306 E C 1.580 178.125 176.600 -0.093 0.000 1.048 306 E CA 2.087 58.401 56.400 -0.145 0.000 0.869 306 E CB -1.352 28.181 29.700 -0.279 0.000 0.773 306 E HN 0.553 nan 8.360 nan 0.000 0.466 307 H N -1.024 117.995 119.070 -0.085 0.000 2.489 307 H HA -0.037 4.519 4.556 0.000 0.000 0.295 307 H C 1.979 177.133 175.328 -0.289 0.000 1.082 307 H CA 1.662 57.589 56.048 -0.202 0.000 1.295 307 H CB -0.310 29.269 29.762 -0.305 0.000 1.380 307 H HN 0.528 nan 8.280 nan 0.000 0.548 308 H N -0.204 118.929 119.070 0.104 0.000 2.652 308 H HA 0.129 4.686 4.556 0.001 0.000 0.274 308 H C 1.645 177.009 175.328 0.060 0.000 1.021 308 H CA -0.074 56.012 56.048 0.063 0.000 1.187 308 H CB 0.735 30.505 29.762 0.014 0.000 1.505 308 H HN 0.460 nan 8.280 nan 0.000 0.530 309 Q N 0.923 120.804 119.800 0.135 0.000 2.030 309 Q HA -0.137 4.203 4.340 0.001 0.000 0.204 309 Q C 1.916 178.039 176.000 0.206 0.000 0.986 309 Q CA 1.074 56.945 55.803 0.113 0.000 0.843 309 Q CB 0.236 28.986 28.738 0.020 0.000 0.904 309 Q HN 0.125 nan 8.270 nan 0.000 0.420 310 K N 0.787 121.304 120.400 0.195 0.000 2.009 310 K HA -0.152 4.168 4.320 0.001 0.000 0.210 310 K C 2.136 178.873 176.600 0.229 0.000 1.049 310 K CA 1.164 57.591 56.287 0.234 0.000 0.929 310 K CB -0.693 31.900 32.500 0.155 0.000 0.714 310 K HN -0.018 nan 8.250 nan 0.000 0.440 311 K N 0.664 121.162 120.400 0.164 0.000 2.009 311 K HA -0.124 4.196 4.320 0.001 0.000 0.210 311 K C 2.355 179.022 176.600 0.112 0.000 1.049 311 K CA 2.057 58.417 56.287 0.122 0.000 0.929 311 K CB -0.991 31.582 32.500 0.122 0.000 0.714 311 K HN 0.439 nan 8.250 nan 0.000 0.440 312 T N 0.352 115.010 114.554 0.173 0.000 2.720 312 T HA -0.087 4.263 4.350 0.001 0.000 0.268 312 T C 1.466 176.287 174.700 0.200 0.000 1.037 312 T CA 1.755 63.976 62.100 0.202 0.000 1.144 312 T CB -0.500 68.513 68.868 0.242 0.000 0.864 312 T HN 0.463 nan 8.240 nan 0.000 0.444 313 F N 2.255 122.277 119.950 0.120 0.000 2.146 313 F HA -0.066 4.461 4.527 0.001 0.000 0.298 313 F C 2.114 177.945 175.800 0.051 0.000 1.096 313 F CA 1.272 59.353 58.000 0.135 0.000 1.275 313 F CB -0.484 38.661 39.000 0.241 0.000 1.008 313 F HN 0.024 nan 8.300 nan 0.000 0.480 314 D N -0.326 120.096 120.400 0.036 0.000 2.104 314 D HA -0.178 4.463 4.640 0.001 0.000 0.194 314 D C 2.254 178.411 176.300 -0.238 0.000 0.994 314 D CA 1.743 55.684 54.000 -0.099 0.000 0.830 314 D CB -0.255 40.551 40.800 0.010 0.000 0.959 314 D HN 0.296 nan 8.370 nan 0.000 0.452 315 S N -0.303 115.206 115.700 -0.318 0.000 2.383 315 S HA -0.087 4.383 4.470 0.001 0.000 0.227 315 S C 1.996 176.231 174.600 -0.608 0.000 1.026 315 S CA 0.425 58.251 58.200 -0.623 0.000 0.981 315 S CB -0.256 62.188 63.200 -1.260 0.000 0.818 315 S HN 0.349 nan 8.310 nan 0.000 0.472 316 L N 1.940 122.918 121.223 -0.408 0.000 2.012 316 L HA -0.076 4.264 4.340 0.001 0.000 0.210 316 L C 2.033 178.789 176.870 -0.189 0.000 1.073 316 L CA 1.606 56.343 54.840 -0.171 0.000 0.748 316 L CB -0.286 41.737 42.059 -0.060 0.000 0.891 316 L HN 0.437 nan 8.230 nan 0.000 0.431 317 I N -3.975 116.403 120.570 -0.319 0.000 3.428 317 I HA -0.076 4.094 4.170 0.001 0.000 0.286 317 I C 2.062 178.165 176.117 -0.022 0.000 1.287 317 I CA 0.117 61.308 61.300 -0.181 0.000 1.396 317 I CB -0.363 37.454 38.000 -0.304 0.000 1.062 317 I HN 0.269 nan 8.210 nan 0.000 0.471 318 Q N 2.234 121.981 119.800 -0.089 0.000 2.029 318 Q HA -0.238 4.102 4.340 0.001 0.000 0.209 318 Q C 1.715 177.713 176.000 -0.003 0.000 0.999 318 Q CA 2.354 58.128 55.803 -0.048 0.000 0.857 318 Q CB -0.512 28.176 28.738 -0.083 0.000 0.926 318 Q HN 0.631 nan 8.270 nan 0.000 0.415 319 D N 0.030 120.437 120.400 0.010 0.000 2.097 319 D HA -0.084 4.556 4.640 0.001 0.000 0.197 319 D C 1.764 178.095 176.300 0.052 0.000 0.984 319 D CA 1.462 55.480 54.000 0.029 0.000 0.826 319 D CB -0.312 40.510 40.800 0.037 0.000 0.973 319 D HN 0.273 nan 8.370 nan 0.000 0.460 320 A N 0.798 123.678 122.820 0.100 0.000 1.902 320 A HA -0.142 4.178 4.320 0.001 0.000 0.217 320 A C 2.141 179.776 177.584 0.085 0.000 1.181 320 A CA 1.028 53.163 52.037 0.165 0.000 0.623 320 A CB -0.686 18.493 19.000 0.298 0.000 0.818 320 A HN 0.229 nan 8.150 nan 0.000 0.443 321 L N 0.174 121.422 121.223 0.043 0.000 2.017 321 L HA -0.147 4.193 4.340 0.001 0.000 0.208 321 L C 1.614 178.405 176.870 -0.132 0.000 1.073 321 L CA 2.513 57.205 54.840 -0.245 0.000 0.745 321 L CB -0.756 41.230 42.059 -0.122 0.000 0.894 321 L HN 0.333 nan 8.230 nan 0.000 0.432 322 D N -0.355 120.017 120.400 -0.047 0.000 2.144 322 D HA -0.130 4.511 4.640 0.001 0.000 0.199 322 D C 2.101 178.392 176.300 -0.015 0.000 0.984 322 D CA 1.400 55.383 54.000 -0.029 0.000 0.834 322 D CB -0.479 40.314 40.800 -0.012 0.000 0.955 322 D HN 0.531 nan 8.370 nan 0.000 0.465 323 G N 0.472 109.272 108.800 0.001 0.000 2.443 323 G HA2 -0.186 3.774 3.960 0.001 0.000 0.219 323 G HA3 -0.186 3.774 3.960 0.001 0.000 0.219 323 G C 1.583 176.507 174.900 0.040 0.000 1.131 323 G CA 0.241 45.356 45.100 0.026 0.000 0.775 323 G HN 0.208 nan 8.290 nan 0.000 0.547 324 L N 0.155 121.380 121.223 0.004 0.000 2.095 324 L HA 0.192 4.532 4.340 0.001 0.000 0.204 324 L C 2.681 179.604 176.870 0.089 0.000 1.080 324 L CA 1.215 56.078 54.840 0.037 0.000 0.759 324 L CB -0.258 41.724 42.059 -0.129 0.000 0.914 324 L HN 0.059 nan 8.230 nan 0.000 0.439 325 M N -1.226 118.373 119.600 -0.001 0.000 2.132 325 M HA -0.153 4.327 4.480 0.001 0.000 0.263 325 M C 2.354 178.648 176.300 -0.009 0.000 1.065 325 M CA 1.580 56.875 55.300 -0.009 0.000 1.122 325 M CB -1.158 31.417 32.600 -0.042 0.000 1.365 325 M HN 0.252 nan 8.290 nan 0.000 0.411 326 L N -0.200 121.020 121.223 -0.005 0.000 2.017 326 L HA -0.234 4.107 4.340 0.001 0.000 0.208 326 L C 2.585 179.438 176.870 -0.029 0.000 1.073 326 L CA 1.369 56.199 54.840 -0.016 0.000 0.745 326 L CB -0.523 41.534 42.059 -0.004 0.000 0.894 326 L HN 0.238 nan 8.230 nan 0.000 0.432 327 E N 0.345 120.549 120.200 0.007 0.000 2.085 327 E HA -0.182 4.169 4.350 0.001 0.000 0.194 327 E C 2.043 178.501 176.600 -0.237 0.000 0.994 327 E CA 1.554 57.934 56.400 -0.033 0.000 0.801 327 E CB -0.515 29.272 29.700 0.145 0.000 0.743 327 E HN 0.377 nan 8.360 nan 0.000 0.453 328 G N 0.517 109.188 108.800 -0.216 0.000 2.440 328 G HA2 -0.260 3.701 3.960 0.001 0.000 0.218 328 G HA3 -0.260 3.701 3.960 0.001 0.000 0.218 328 G C 1.460 176.217 174.900 -0.239 0.000 1.154 328 G CA 0.817 45.697 45.100 -0.367 0.000 0.767 328 G HN 0.211 nan 8.290 nan 0.000 0.552 329 E N 0.940 121.056 120.200 -0.140 0.000 2.150 329 E HA -0.063 4.287 4.350 0.001 0.000 0.193 329 E C 2.344 178.875 176.600 -0.114 0.000 0.985 329 E CA 0.425 56.759 56.400 -0.110 0.000 0.814 329 E CB -0.214 29.442 29.700 -0.074 0.000 0.752 329 E HN 0.320 nan 8.360 nan 0.000 0.466 330 N N 0.766 119.393 118.700 -0.121 0.000 2.244 330 N HA -0.051 4.690 4.740 0.001 0.000 0.183 330 N C 1.989 177.422 175.510 -0.129 0.000 1.016 330 N CA 0.527 53.514 53.050 -0.105 0.000 0.866 330 N CB -0.095 38.339 38.487 -0.088 0.000 0.980 330 N HN 0.233 nan 8.380 nan 0.000 0.430 331 I N 0.179 120.633 120.570 -0.194 0.000 2.315 331 I HA -0.176 3.995 4.170 0.001 0.000 0.248 331 I C 1.950 177.975 176.117 -0.154 0.000 1.117 331 I CA 0.586 61.765 61.300 -0.202 0.000 1.404 331 I CB -0.047 37.758 38.000 -0.325 0.000 1.071 331 I HN -0.100 nan 8.210 nan 0.000 0.419 332 V N -0.033 119.790 119.914 -0.151 0.000 2.295 332 V HA -0.302 3.818 4.120 0.001 0.000 0.246 332 V C 2.607 178.644 176.094 -0.095 0.000 1.049 332 V CA 2.254 64.482 62.300 -0.120 0.000 1.024 332 V CB -0.552 31.204 31.823 -0.112 0.000 0.648 332 V HN 0.477 nan 8.190 nan 0.000 0.447 333 S N -0.067 115.580 115.700 -0.088 0.000 2.382 333 S HA -0.179 4.292 4.470 0.001 0.000 0.228 333 S C 2.098 176.658 174.600 -0.067 0.000 1.027 333 S CA 1.657 59.815 58.200 -0.069 0.000 0.991 333 S CB -0.302 62.861 63.200 -0.062 0.000 0.823 333 S HN 0.603 nan 8.310 nan 0.000 0.469 334 A N 1.310 124.086 122.820 -0.074 0.000 1.898 334 A HA 0.264 4.585 4.320 0.001 0.000 0.216 334 A C 2.489 180.031 177.584 -0.070 0.000 1.181 334 A CA 1.757 53.755 52.037 -0.066 0.000 0.620 334 A CB -1.398 17.561 19.000 -0.068 0.000 0.819 334 A HN 0.778 nan 8.150 nan 0.000 0.442 335 A N -0.086 122.686 122.820 -0.080 0.000 1.858 335 A HA -0.198 4.123 4.320 0.001 0.000 0.216 335 A C 2.252 179.780 177.584 -0.094 0.000 1.190 335 A CA 1.849 53.837 52.037 -0.083 0.000 0.617 335 A CB -0.609 18.343 19.000 -0.081 0.000 0.827 335 A HN 0.559 nan 8.150 nan 0.000 0.443 336 R N -0.037 120.415 120.500 -0.081 0.000 2.112 336 R HA -0.214 4.126 4.340 0.001 0.000 0.242 336 R C 2.141 178.394 176.300 -0.077 0.000 1.137 336 R CA 2.181 58.237 56.100 -0.073 0.000 0.944 336 R CB -0.302 29.964 30.300 -0.056 0.000 0.857 336 R HN 0.540 nan 8.270 nan 0.000 0.435 337 K N -0.382 119.979 120.400 -0.065 0.000 2.097 337 K HA -0.084 4.236 4.320 0.001 0.000 0.205 337 K C 2.119 178.677 176.600 -0.070 0.000 1.050 337 K CA 1.193 57.448 56.287 -0.054 0.000 0.938 337 K CB -0.117 32.358 32.500 -0.041 0.000 0.718 337 K HN 0.269 nan 8.250 nan 0.000 0.442 338 A N 1.696 124.460 122.820 -0.093 0.000 1.902 338 A HA -0.158 4.162 4.320 0.001 0.000 0.217 338 A C 2.107 179.559 177.584 -0.220 0.000 1.181 338 A CA 1.276 53.243 52.037 -0.117 0.000 0.623 338 A CB -0.600 18.333 19.000 -0.111 0.000 0.818 338 A HN 0.172 nan 8.150 nan 0.000 0.443 339 I N -0.282 120.109 120.570 -0.297 0.000 2.208 339 I HA -0.286 3.884 4.170 0.001 0.000 0.245 339 I C 2.287 178.243 176.117 -0.268 0.000 1.097 339 I CA 1.437 62.432 61.300 -0.509 0.000 1.363 339 I CB -0.375 37.425 38.000 -0.333 0.000 1.051 339 I HN 0.324 nan 8.210 nan 0.000 0.413 340 I N 0.231 120.746 120.570 -0.091 0.000 2.226 340 I HA -0.271 3.899 4.170 0.001 0.000 0.245 340 I C 2.518 178.725 176.117 0.150 0.000 1.100 340 I CA 1.049 62.374 61.300 0.041 0.000 1.374 340 I CB -0.378 37.632 38.000 0.017 0.000 1.057 340 I HN 0.044 nan 8.210 nan 0.000 0.413 341 R N -0.996 119.539 120.500 0.058 0.000 2.328 341 R HA -0.046 4.295 4.340 0.001 0.000 0.200 341 R C 0.478 176.885 176.300 0.179 0.000 0.983 341 R CA 0.229 56.372 56.100 0.072 0.000 1.062 341 R CB -1.597 28.713 30.300 0.016 0.000 0.956 341 R HN 0.525 nan 8.270 nan 0.000 0.479 342 H N -1.622 117.413 119.070 -0.057 0.000 3.211 342 H HA -0.163 4.393 4.556 0.001 0.000 0.240 342 H C -0.283 175.087 175.328 0.070 0.000 1.148 342 H CA 0.821 56.912 56.048 0.072 0.000 1.160 342 H CB -1.736 28.147 29.762 0.201 0.000 1.232 342 H HN 0.402 nan 8.280 nan 0.000 0.321 343 D N -0.008 120.377 120.400 -0.025 0.000 2.352 343 D HA 0.136 4.776 4.640 0.001 0.000 0.245 343 D C 0.262 176.477 176.300 -0.142 0.000 1.224 343 D CA -0.240 53.772 54.000 0.019 0.000 0.879 343 D CB -0.246 40.554 40.800 0.000 0.000 1.057 343 D HN 0.210 nan 8.370 nan 0.000 0.491 344 F N 1.634 121.647 119.950 0.105 0.000 2.641 344 F HA 0.083 4.610 4.527 0.001 0.000 0.302 344 F C 2.219 178.092 175.800 0.121 0.000 1.098 344 F CA -0.148 57.911 58.000 0.098 0.000 1.318 344 F CB 0.194 39.194 39.000 -0.001 0.000 1.035 344 F HN 0.352 nan 8.300 nan 0.000 0.551 345 S N -1.637 114.181 115.700 0.196 0.000 2.398 345 S HA -0.083 4.387 4.470 0.001 0.000 0.220 345 S C 1.681 176.329 174.600 0.081 0.000 1.046 345 S CA 0.871 59.151 58.200 0.134 0.000 0.953 345 S CB -0.857 62.407 63.200 0.107 0.000 0.856 345 S HN 0.150 nan 8.310 nan 0.000 0.506 346 T N 1.920 116.503 114.554 0.048 0.000 3.541 346 T HA 0.203 4.553 4.350 0.001 0.000 0.255 346 T C 0.919 175.623 174.700 0.006 0.000 1.158 346 T CA 0.606 62.715 62.100 0.015 0.000 1.000 346 T CB -0.356 68.507 68.868 -0.007 0.000 1.008 346 T HN 0.310 nan 8.240 nan 0.000 0.568 347 V N 0.113 120.057 119.914 0.050 0.000 3.473 347 V HA 0.091 4.211 4.120 0.001 0.000 0.253 347 V C 1.819 178.012 176.094 0.166 0.000 1.340 347 V CA 0.094 62.441 62.300 0.078 0.000 1.103 347 V CB 0.322 32.208 31.823 0.104 0.000 0.881 347 V HN 0.472 nan 8.190 nan 0.000 0.451 348 L N 0.457 121.758 121.223 0.130 0.000 2.291 348 L HA 0.019 4.359 4.340 0.001 0.000 0.214 348 L C 2.270 179.163 176.870 0.039 0.000 1.120 348 L CA 2.343 57.209 54.840 0.044 0.000 0.799 348 L CB -2.197 39.764 42.059 -0.162 0.000 0.925 348 L HN 0.356 nan 8.230 nan 0.000 0.446 349 T N -3.770 110.803 114.554 0.030 0.000 3.155 349 T HA -0.001 4.349 4.350 0.001 0.000 0.264 349 T C 1.567 176.263 174.700 -0.006 0.000 1.160 349 T CA 0.977 63.083 62.100 0.010 0.000 1.075 349 T CB -0.785 68.091 68.868 0.012 0.000 0.921 349 T HN 0.215 nan 8.240 nan 0.000 0.533 350 V N -0.099 119.816 119.914 0.001 0.000 2.788 350 V HA 0.110 4.230 4.120 0.001 0.000 0.251 350 V C 2.041 178.028 176.094 -0.178 0.000 1.068 350 V CA 0.774 63.013 62.300 -0.102 0.000 1.090 350 V CB -0.811 30.912 31.823 -0.166 0.000 0.710 350 V HN 0.410 nan 8.190 nan 0.000 0.467 351 F N 0.501 120.239 119.950 -0.353 0.000 2.146 351 F HA -0.018 4.510 4.527 0.001 0.000 0.298 351 F C 0.076 175.698 175.800 -0.296 0.000 1.096 351 F CA 1.447 59.152 58.000 -0.491 0.000 1.275 351 F CB -2.062 36.241 39.000 -1.162 0.000 1.008 351 F HN 0.300 nan 8.300 nan 0.000 0.480 352 P HA -0.121 nan 4.420 nan 0.000 0.216 352 P C 1.911 179.293 177.300 0.136 0.000 1.153 352 P CA 1.483 64.692 63.100 0.181 0.000 0.844 352 P CB 0.016 31.837 31.700 0.202 0.000 0.787 353 I N -1.190 119.432 120.570 0.086 0.000 2.142 353 I HA -0.233 3.937 4.170 0.001 0.000 0.240 353 I C 2.260 178.436 176.117 0.098 0.000 1.078 353 I CA 1.182 62.557 61.300 0.125 0.000 1.343 353 I CB -0.792 37.267 38.000 0.099 0.000 1.046 353 I HN -0.070 nan 8.210 nan 0.000 0.405 354 L N 1.126 122.346 121.223 -0.005 0.000 2.042 354 L HA -0.231 4.109 4.340 0.001 0.000 0.210 354 L C 2.627 179.497 176.870 -0.000 0.000 1.076 354 L CA 1.824 56.634 54.840 -0.050 0.000 0.749 354 L CB -0.803 41.158 42.059 -0.163 0.000 0.893 354 L HN 0.130 nan 8.230 nan 0.000 0.432 355 R N -1.683 118.849 120.500 0.053 0.000 2.081 355 R HA -0.245 4.095 4.340 0.001 0.000 0.235 355 R C 2.387 178.746 176.300 0.099 0.000 1.131 355 R CA 1.770 57.927 56.100 0.094 0.000 0.960 355 R CB -0.439 29.968 30.300 0.177 0.000 0.856 355 R HN 0.587 nan 8.270 nan 0.000 0.436 356 H N 0.580 119.669 119.070 0.033 0.000 2.326 356 H HA -0.018 4.538 4.556 0.001 0.000 0.301 356 H C 2.062 177.387 175.328 -0.006 0.000 1.081 356 H CA 1.921 57.980 56.048 0.018 0.000 1.334 356 H CB -0.246 29.525 29.762 0.014 0.000 1.385 356 H HN 0.117 nan 8.280 nan 0.000 0.504 357 L N 0.126 121.337 121.223 -0.020 0.000 2.042 357 L HA -0.207 4.133 4.340 0.001 0.000 0.210 357 L C 2.405 179.178 176.870 -0.160 0.000 1.076 357 L CA 1.747 56.508 54.840 -0.132 0.000 0.749 357 L CB -0.447 41.557 42.059 -0.090 0.000 0.893 357 L HN 0.304 nan 8.230 nan 0.000 0.432 358 K N -0.244 120.098 120.400 -0.096 0.000 2.097 358 K HA -0.166 4.154 4.320 0.001 0.000 0.205 358 K C 2.167 178.722 176.600 -0.076 0.000 1.050 358 K CA 1.098 57.337 56.287 -0.079 0.000 0.938 358 K CB -0.098 32.376 32.500 -0.043 0.000 0.718 358 K HN 0.379 nan 8.250 nan 0.000 0.442 359 Q N -0.070 119.678 119.800 -0.085 0.000 2.119 359 Q HA -0.095 4.246 4.340 0.001 0.000 0.201 359 Q C 1.717 177.653 176.000 -0.107 0.000 0.972 359 Q CA 1.684 57.439 55.803 -0.080 0.000 0.847 359 Q CB 0.093 28.790 28.738 -0.068 0.000 0.903 359 Q HN 0.308 nan 8.270 nan 0.000 0.433 360 T N 0.515 114.956 114.554 -0.188 0.000 3.043 360 T HA -0.045 4.305 4.350 0.001 0.000 0.263 360 T C 1.495 176.228 174.700 0.055 0.000 1.094 360 T CA 0.529 62.575 62.100 -0.090 0.000 1.127 360 T CB 0.012 68.796 68.868 -0.140 0.000 0.905 360 T HN 0.225 nan 8.240 nan 0.000 0.490 361 K N 1.473 121.850 120.400 -0.038 0.000 2.144 361 K HA -0.173 4.148 4.320 0.001 0.000 0.209 361 K C -0.997 175.655 176.600 0.086 0.000 1.047 361 K CA 1.541 57.821 56.287 -0.012 0.000 0.927 361 K CB -0.669 31.787 32.500 -0.073 0.000 0.716 361 K HN 0.267 nan 8.250 nan 0.000 0.454 362 P HA -0.123 nan 4.420 nan 0.000 0.217 362 P C 0.336 177.682 177.300 0.076 0.000 1.150 362 P CA 1.337 64.469 63.100 0.052 0.000 0.832 362 P CB 0.088 31.803 31.700 0.025 0.000 0.787 363 E N -1.945 118.314 120.200 0.098 0.000 2.152 363 E HA -0.108 4.242 4.350 0.001 0.000 0.192 363 E C 1.689 178.356 176.600 0.112 0.000 0.983 363 E CA 0.657 57.104 56.400 0.079 0.000 0.818 363 E CB -0.500 29.239 29.700 0.065 0.000 0.758 363 E HN 0.204 nan 8.360 nan 0.000 0.467 364 F N 2.080 122.048 119.950 0.029 0.000 2.102 364 F HA -0.195 4.332 4.527 0.001 0.000 0.298 364 F C 1.946 177.780 175.800 0.056 0.000 1.105 364 F CA 1.502 59.545 58.000 0.071 0.000 1.239 364 F CB -0.032 38.999 39.000 0.053 0.000 0.991 364 F HN -0.052 nan 8.300 nan 0.000 0.474 365 D N -0.473 120.067 120.400 0.234 0.000 2.178 365 D HA -0.198 4.442 4.640 0.001 0.000 0.201 365 D C 2.150 178.487 176.300 0.061 0.000 0.980 365 D CA 0.970 55.047 54.000 0.128 0.000 0.842 365 D CB -0.538 40.310 40.800 0.081 0.000 0.948 365 D HN 0.405 nan 8.370 nan 0.000 0.472 366 Q N 0.249 120.070 119.800 0.035 0.000 1.993 366 Q HA -0.121 4.220 4.340 0.001 0.000 0.202 366 Q C 2.397 178.347 176.000 -0.084 0.000 0.984 366 Q CA 1.672 57.459 55.803 -0.027 0.000 0.837 366 Q CB 0.092 28.811 28.738 -0.032 0.000 0.902 366 Q HN 0.325 nan 8.270 nan 0.000 0.423 367 V N -1.740 118.126 119.914 -0.079 0.000 2.759 367 V HA -0.127 3.994 4.120 0.001 0.000 0.256 367 V C 1.599 177.687 176.094 -0.010 0.000 1.080 367 V CA 1.099 63.322 62.300 -0.129 0.000 1.101 367 V CB -0.242 31.521 31.823 -0.100 0.000 0.698 367 V HN 0.186 nan 8.190 nan 0.000 0.477 368 L N 1.010 122.272 121.223 0.065 0.000 2.607 368 L HA 0.247 4.587 4.340 0.001 0.000 0.228 368 L C 1.375 178.295 176.870 0.084 0.000 1.123 368 L CA 0.598 55.527 54.840 0.148 0.000 0.890 368 L CB -0.307 41.863 42.059 0.185 0.000 1.103 368 L HN 0.719 nan 8.230 nan 0.000 0.468 369 Q N -1.083 118.720 119.800 0.005 0.000 2.337 369 Q HA 0.502 4.842 4.340 0.001 0.000 0.270 369 Q C 1.143 177.137 176.000 -0.010 0.000 1.002 369 Q CA 0.162 55.960 55.803 -0.009 0.000 0.888 369 Q CB 0.568 29.279 28.738 -0.045 0.000 1.222 369 Q HN 0.597 nan 8.270 nan 0.000 0.400 370 G N 0.672 109.486 108.800 0.024 0.000 2.232 370 G HA2 -0.292 3.669 3.960 0.001 0.000 0.226 370 G HA3 -0.292 3.669 3.960 0.001 0.000 0.226 370 G C 0.492 175.443 174.900 0.086 0.000 0.996 370 G CA 0.418 45.545 45.100 0.045 0.000 0.626 370 G HN 1.679 nan 8.290 nan 0.000 0.509 371 T N -0.640 113.976 114.554 0.103 0.000 2.810 371 T HA 0.772 5.123 4.350 0.001 0.000 0.277 371 T C 0.959 175.698 174.700 0.065 0.000 0.973 371 T CA 0.672 62.837 62.100 0.108 0.000 0.949 371 T CB 1.487 70.430 68.868 0.125 0.000 1.075 371 T HN 1.788 nan 8.240 nan 0.000 0.537 372 A N 0.187 123.036 122.820 0.048 0.000 2.466 372 A HA 0.582 4.902 4.320 0.001 0.000 0.238 372 A C 1.875 179.477 177.584 0.029 0.000 1.074 372 A CA -0.062 51.993 52.037 0.031 0.000 0.774 372 A CB -0.750 18.261 19.000 0.017 0.000 1.015 372 A HN 1.411 nan 8.150 nan 0.000 0.498 373 A N 1.139 123.972 122.820 0.021 0.000 1.940 373 A HA -0.081 4.239 4.320 0.001 0.000 0.219 373 A C 2.229 179.821 177.584 0.014 0.000 1.176 373 A CA 2.260 54.308 52.037 0.017 0.000 0.631 373 A CB -1.077 17.929 19.000 0.011 0.000 0.814 373 A HN 1.661 nan 8.150 nan 0.000 0.446 374 S N -1.541 114.166 115.700 0.010 0.000 2.547 374 S HA -0.039 4.431 4.470 0.001 0.000 0.235 374 S C 1.418 176.022 174.600 0.008 0.000 0.980 374 S CA 1.452 59.655 58.200 0.005 0.000 0.941 374 S CB -0.421 62.779 63.200 0.000 0.000 0.763 374 S HN 0.490 nan 8.310 nan 0.000 0.532 375 T N 1.917 116.483 114.554 0.020 0.000 3.045 375 T HA 0.181 4.531 4.350 0.001 0.000 0.239 375 T C 1.570 176.304 174.700 0.056 0.000 1.008 375 T CA 0.364 62.483 62.100 0.033 0.000 1.143 375 T CB -0.062 68.829 68.868 0.039 0.000 0.894 375 T HN 0.385 nan 8.240 nan 0.000 0.451 376 K N 1.723 122.159 120.400 0.058 0.000 2.280 376 K HA 0.022 4.342 4.320 0.001 0.000 0.202 376 K C 1.651 178.276 176.600 0.041 0.000 1.047 376 K CA 1.019 57.348 56.287 0.070 0.000 0.942 376 K CB -0.145 32.389 32.500 0.057 0.000 0.739 376 K HN 0.373 nan 8.250 nan 0.000 0.457 377 N N 0.531 119.242 118.700 0.018 0.000 2.467 377 N HA -0.032 4.708 4.740 0.001 0.000 0.184 377 N C 1.178 176.675 175.510 -0.021 0.000 1.106 377 N CA 0.130 53.177 53.050 -0.005 0.000 0.892 377 N CB 0.247 38.730 38.487 -0.007 0.000 0.969 377 N HN 0.152 nan 8.380 nan 0.000 0.454 378 K N 0.833 121.225 120.400 -0.014 0.000 2.001 378 K HA -0.120 4.201 4.320 0.001 0.000 0.208 378 K C 1.907 178.459 176.600 -0.081 0.000 1.048 378 K CA 0.870 57.135 56.287 -0.036 0.000 0.932 378 K CB -0.210 32.277 32.500 -0.023 0.000 0.715 378 K HN 0.060 nan 8.250 nan 0.000 0.437 379 L N 1.893 123.046 121.223 -0.117 0.000 1.989 379 L HA -0.111 4.229 4.340 0.001 0.000 0.211 379 L C -1.214 175.545 176.870 -0.184 0.000 1.071 379 L CA 1.924 56.612 54.840 -0.254 0.000 0.749 379 L CB -1.160 40.603 42.059 -0.493 0.000 0.890 379 L HN 0.012 nan 8.230 nan 0.000 0.431 380 P HA -0.117 nan 4.420 nan 0.000 0.216 380 P C 1.664 178.914 177.300 -0.082 0.000 1.150 380 P CA 1.859 64.902 63.100 -0.095 0.000 0.843 380 P CB -0.452 31.211 31.700 -0.062 0.000 0.787 381 G N 0.105 108.861 108.800 -0.073 0.000 2.446 381 G HA2 -0.277 3.683 3.960 0.001 0.000 0.217 381 G HA3 -0.277 3.683 3.960 0.001 0.000 0.217 381 G C 1.468 176.324 174.900 -0.073 0.000 1.168 381 G CA 0.805 45.868 45.100 -0.062 0.000 0.771 381 G HN 0.246 nan 8.290 nan 0.000 0.551 382 L N 0.717 121.888 121.223 -0.087 0.000 2.046 382 L HA 0.090 4.430 4.340 0.001 0.000 0.208 382 L C 2.676 179.490 176.870 -0.094 0.000 1.077 382 L CA 1.302 56.089 54.840 -0.089 0.000 0.747 382 L CB -0.388 41.616 42.059 -0.091 0.000 0.896 382 L HN 0.275 nan 8.230 nan 0.000 0.432 383 I N -0.898 119.609 120.570 -0.106 0.000 2.208 383 I HA -0.334 3.836 4.170 0.001 0.000 0.245 383 I C 2.191 178.253 176.117 -0.091 0.000 1.097 383 I CA 1.808 63.047 61.300 -0.102 0.000 1.363 383 I CB -0.596 37.340 38.000 -0.107 0.000 1.051 383 I HN 0.311 nan 8.210 nan 0.000 0.413 384 T N -0.594 113.912 114.554 -0.079 0.000 2.777 384 T HA -0.181 4.169 4.350 0.001 0.000 0.266 384 T C 2.098 176.755 174.700 -0.072 0.000 1.040 384 T CA 1.742 63.801 62.100 -0.068 0.000 1.141 384 T CB -0.196 68.640 68.868 -0.055 0.000 0.868 384 T HN 0.330 nan 8.240 nan 0.000 0.444 385 S N 0.647 116.302 115.700 -0.074 0.000 2.370 385 S HA -0.090 4.380 4.470 0.001 0.000 0.226 385 S C 2.140 176.684 174.600 -0.093 0.000 1.033 385 S CA 1.081 59.236 58.200 -0.076 0.000 1.011 385 S CB -0.345 62.810 63.200 -0.075 0.000 0.852 385 S HN 0.335 nan 8.310 nan 0.000 0.457 386 M N 0.729 120.264 119.600 -0.108 0.000 2.132 386 M HA -0.049 4.431 4.480 0.001 0.000 0.263 386 M C 2.192 178.394 176.300 -0.163 0.000 1.065 386 M CA 1.385 56.602 55.300 -0.137 0.000 1.122 386 M CB -0.922 31.595 32.600 -0.138 0.000 1.365 386 M HN 0.446 nan 8.290 nan 0.000 0.411 387 E N -0.170 119.943 120.200 -0.144 0.000 2.077 387 E HA -0.148 4.202 4.350 0.001 0.000 0.193 387 E C 1.958 178.483 176.600 -0.125 0.000 0.989 387 E CA 1.659 57.969 56.400 -0.150 0.000 0.800 387 E CB -0.183 29.453 29.700 -0.107 0.000 0.746 387 E HN 0.455 nan 8.360 nan 0.000 0.452 388 T N 1.307 115.806 114.554 -0.093 0.000 2.708 388 T HA -0.158 4.192 4.350 0.001 0.000 0.266 388 T C 1.861 176.520 174.700 -0.068 0.000 1.037 388 T CA 0.920 62.979 62.100 -0.068 0.000 1.146 388 T CB -0.192 68.644 68.868 -0.053 0.000 0.865 388 T HN 0.041 nan 8.240 nan 0.000 0.435 389 I N 1.201 121.720 120.570 -0.084 0.000 2.830 389 I HA 0.078 4.248 4.170 0.001 0.000 0.263 389 I C 2.186 178.255 176.117 -0.080 0.000 1.230 389 I CA 0.468 61.724 61.300 -0.074 0.000 1.480 389 I CB -0.674 37.274 38.000 -0.086 0.000 1.095 389 I HN 0.228 nan 8.210 nan 0.000 0.455 390 G N -0.274 108.441 108.800 -0.142 0.000 2.404 390 G HA2 -0.133 3.827 3.960 0.001 0.000 0.213 390 G HA3 -0.133 3.827 3.960 0.001 0.000 0.213 390 G C 1.767 176.612 174.900 -0.092 0.000 1.189 390 G CA 0.570 45.549 45.100 -0.202 0.000 0.796 390 G HN 0.495 nan 8.290 nan 0.000 0.532 391 A N 0.818 123.583 122.820 -0.091 0.000 1.883 391 A HA -0.078 4.242 4.320 0.001 0.000 0.217 391 A C 2.267 179.860 177.584 0.015 0.000 1.186 391 A CA 2.216 54.224 52.037 -0.049 0.000 0.624 391 A CB -0.496 18.480 19.000 -0.040 0.000 0.822 391 A HN 0.264 nan 8.150 nan 0.000 0.444 392 K N -0.052 120.359 120.400 0.020 0.000 2.160 392 K HA -0.170 4.150 4.320 0.001 0.000 0.206 392 K C 2.118 178.797 176.600 0.130 0.000 1.047 392 K CA 1.509 57.830 56.287 0.056 0.000 0.930 392 K CB -0.454 32.060 32.500 0.024 0.000 0.720 392 K HN 0.428 nan 8.250 nan 0.000 0.450 393 A N 0.768 123.679 122.820 0.152 0.000 1.873 393 A HA -0.124 4.196 4.320 0.001 0.000 0.215 393 A C 2.131 179.970 177.584 0.424 0.000 1.186 393 A CA 1.069 53.301 52.037 0.326 0.000 0.616 393 A CB -0.419 18.758 19.000 0.295 0.000 0.823 393 A HN 0.221 nan 8.150 nan 0.000 0.442 394 L N -0.410 120.977 121.223 0.273 0.000 2.056 394 L HA -0.093 4.248 4.340 0.001 0.000 0.207 394 L C 2.401 179.476 176.870 0.342 0.000 1.078 394 L CA 1.927 56.914 54.840 0.244 0.000 0.749 394 L CB -0.870 41.035 42.059 -0.256 0.000 0.901 394 L HN 0.308 nan 8.230 nan 0.000 0.433 395 E N -0.107 120.230 120.200 0.229 0.000 2.047 395 E HA -0.186 4.164 4.350 0.001 0.000 0.191 395 E C 1.862 178.563 176.600 0.169 0.000 0.987 395 E CA 1.126 57.659 56.400 0.222 0.000 0.799 395 E CB -0.224 29.558 29.700 0.136 0.000 0.752 395 E HN 0.373 nan 8.360 nan 0.000 0.449 396 D N -1.051 119.459 120.400 0.183 0.000 2.218 396 D HA -0.124 4.516 4.640 0.001 0.000 0.204 396 D C 1.370 177.696 176.300 0.043 0.000 0.976 396 D CA 0.527 54.619 54.000 0.154 0.000 0.853 396 D CB -0.124 40.828 40.800 0.253 0.000 0.939 396 D HN 0.140 nan 8.370 nan 0.000 0.481 397 F N 0.787 120.607 119.950 -0.217 0.000 2.187 397 F HA 0.094 4.622 4.527 0.001 0.000 0.295 397 F C 2.147 177.723 175.800 -0.373 0.000 1.091 397 F CA 0.930 58.503 58.000 -0.712 0.000 1.308 397 F CB -0.278 38.003 39.000 -1.199 0.000 1.030 397 F HN -0.065 nan 8.300 nan 0.000 0.487 398 A N 0.174 122.961 122.820 -0.054 0.000 1.883 398 A HA -0.226 4.095 4.320 0.001 0.000 0.217 398 A C 1.946 179.409 177.584 -0.203 0.000 1.186 398 A CA 2.209 54.178 52.037 -0.113 0.000 0.624 398 A CB -1.064 17.957 19.000 0.034 0.000 0.822 398 A HN 0.401 nan 8.150 nan 0.000 0.444 399 D N 0.004 120.326 120.400 -0.131 0.000 2.178 399 D HA -0.107 4.533 4.640 0.001 0.000 0.202 399 D C 1.703 177.897 176.300 -0.177 0.000 0.974 399 D CA 0.959 54.888 54.000 -0.118 0.000 0.841 399 D CB -0.366 40.406 40.800 -0.047 0.000 0.953 399 D HN 0.404 nan 8.370 nan 0.000 0.478 400 N N 0.711 119.239 118.700 -0.287 0.000 2.058 400 N HA -0.087 4.653 4.740 0.001 0.000 0.191 400 N C 2.123 177.444 175.510 -0.315 0.000 1.037 400 N CA 0.502 53.380 53.050 -0.287 0.000 0.848 400 N CB -0.295 37.938 38.487 -0.422 0.000 1.021 400 N HN 0.267 nan 8.380 nan 0.000 0.422 401 I N 1.432 121.703 120.570 -0.499 0.000 2.151 401 I HA -0.292 3.879 4.170 0.001 0.000 0.243 401 I C 2.512 178.487 176.117 -0.237 0.000 1.080 401 I CA 1.226 62.284 61.300 -0.404 0.000 1.339 401 I CB -0.235 37.483 38.000 -0.469 0.000 1.039 401 I HN 0.183 nan 8.210 nan 0.000 0.409 402 K N 1.017 121.296 120.400 -0.201 0.000 2.097 402 K HA -0.175 4.146 4.320 0.001 0.000 0.206 402 K C 1.134 177.674 176.600 -0.100 0.000 1.049 402 K CA 1.759 57.968 56.287 -0.129 0.000 0.933 402 K CB 0.003 32.440 32.500 -0.105 0.000 0.717 402 K HN 0.264 nan 8.250 nan 0.000 0.442 403 N N 1.216 119.858 118.700 -0.095 0.000 2.268 403 N HA -0.027 4.713 4.740 0.001 0.000 0.204 403 N C -0.820 174.661 175.510 -0.049 0.000 1.124 403 N CA 0.016 53.031 53.050 -0.058 0.000 0.838 403 N CB 0.268 38.736 38.487 -0.031 0.000 0.994 403 N HN 0.192 nan 8.380 nan 0.000 0.489 404 D N 1.725 122.078 120.400 -0.079 0.000 2.493 404 D HA 0.015 4.656 4.640 0.001 0.000 0.240 404 D C -2.317 173.947 176.300 -0.060 0.000 1.142 404 D CA -1.277 52.686 54.000 -0.062 0.000 0.872 404 D CB 0.766 41.500 40.800 -0.109 0.000 1.173 404 D HN 0.031 nan 8.370 nan 0.000 0.467 405 P HA -0.033 nan 4.420 nan 0.000 0.258 405 P C -0.136 177.067 177.300 -0.161 0.000 1.172 405 P CA 0.244 63.312 63.100 -0.053 0.000 0.762 405 P CB 0.268 32.002 31.700 0.056 0.000 0.764 406 D N 2.103 122.399 120.400 -0.174 0.000 2.615 406 D HA 0.029 4.669 4.640 0.001 0.000 0.236 406 D C -0.236 175.896 176.300 -0.279 0.000 1.233 406 D CA -0.271 53.604 54.000 -0.208 0.000 0.829 406 D CB 0.042 40.753 40.800 -0.148 0.000 1.024 406 D HN -0.042 nan 8.370 nan 0.000 0.490 407 K N -0.517 119.636 120.400 -0.411 0.000 2.106 407 K HA 0.201 4.522 4.320 0.001 0.000 0.246 407 K C 1.434 177.710 176.600 -0.541 0.000 0.987 407 K CA -0.543 55.476 56.287 -0.447 0.000 0.904 407 K CB 1.515 33.762 32.500 -0.422 0.000 1.071 407 K HN 0.108 nan 8.250 nan 0.000 0.453 408 E N 0.226 120.215 120.200 -0.352 0.000 2.086 408 E HA -0.278 4.073 4.350 0.001 0.000 0.200 408 E C 1.934 178.400 176.600 -0.224 0.000 1.012 408 E CA 2.432 58.666 56.400 -0.276 0.000 0.812 408 E CB -1.053 28.559 29.700 -0.145 0.000 0.743 408 E HN 0.775 nan 8.360 nan 0.000 0.453 409 Y N 2.247 122.502 120.300 -0.074 0.000 2.139 409 Y HA -0.238 4.312 4.550 0.001 0.000 0.282 409 Y C 1.431 177.302 175.900 -0.048 0.000 1.179 409 Y CA 1.520 59.589 58.100 -0.052 0.000 1.161 409 Y CB -1.311 37.127 38.460 -0.037 0.000 0.970 409 Y HN 0.354 nan 8.280 nan 0.000 0.511 410 N N -0.194 118.406 118.700 -0.167 0.000 2.671 410 N HA 0.241 4.981 4.740 0.001 0.000 0.303 410 N C -0.710 174.750 175.510 -0.084 0.000 1.351 410 N CA -0.271 52.779 53.050 0.000 0.000 0.991 410 N CB 0.116 38.683 38.487 0.134 0.000 1.307 410 N HN 0.090 nan 8.380 nan 0.000 0.512 411 M N 2.120 121.625 119.600 -0.157 0.000 2.142 411 M HA 0.371 4.851 4.480 0.001 0.000 0.299 411 M C -2.620 173.604 176.300 -0.126 0.000 0.960 411 M CA -2.337 52.837 55.300 -0.210 0.000 0.920 411 M CB 1.558 33.898 32.600 -0.434 0.000 1.541 411 M HN 0.146 nan 8.290 nan 0.000 0.429 412 P HA 0.020 nan 4.420 nan 0.000 0.260 412 P C 0.112 177.493 177.300 0.135 0.000 1.185 412 P CA 0.088 63.209 63.100 0.035 0.000 0.763 412 P CB 0.276 32.016 31.700 0.066 0.000 0.776 413 K N 2.560 123.022 120.400 0.103 0.000 2.281 413 K HA -0.175 4.145 4.320 0.001 0.000 0.203 413 K C 0.951 177.628 176.600 0.128 0.000 1.046 413 K CA 1.770 58.145 56.287 0.146 0.000 0.938 413 K CB -0.662 31.898 32.500 0.101 0.000 0.737 413 K HN 0.391 nan 8.250 nan 0.000 0.458 414 D N -0.371 120.083 120.400 0.090 0.000 2.363 414 D HA 0.120 4.760 4.640 0.001 0.000 0.214 414 D C 0.910 177.173 176.300 -0.062 0.000 1.093 414 D CA 0.298 54.334 54.000 0.060 0.000 0.837 414 D CB -0.241 40.625 40.800 0.110 0.000 0.948 414 D HN 0.314 nan 8.370 nan 0.000 0.507 415 G N 0.463 109.223 108.800 -0.067 0.000 2.258 415 G HA2 -0.304 3.656 3.960 0.001 0.000 0.274 415 G HA3 -0.304 3.656 3.960 0.001 0.000 0.274 415 G C 0.412 175.403 174.900 0.152 0.000 1.021 415 G CA 0.930 46.019 45.100 -0.018 0.000 0.798 415 G HN 0.639 nan 8.290 nan 0.000 0.507 416 T N -1.337 113.292 114.554 0.125 0.000 2.771 416 T HA 0.488 4.838 4.350 0.001 0.000 0.290 416 T C 1.264 175.965 174.700 0.002 0.000 1.005 416 T CA 0.122 62.248 62.100 0.042 0.000 0.944 416 T CB 0.733 69.618 68.868 0.028 0.000 1.147 416 T HN 0.658 nan 8.240 nan 0.000 0.534 417 V N 3.060 122.915 119.914 -0.099 0.000 2.720 417 V HA 0.081 4.201 4.120 0.001 0.000 0.307 417 V C 0.689 176.723 176.094 -0.100 0.000 1.071 417 V CA 0.135 62.307 62.300 -0.214 0.000 1.199 417 V CB -0.026 31.580 31.823 -0.362 0.000 0.900 417 V HN 0.770 nan 8.190 nan 0.000 0.494 418 H N 3.607 122.567 119.070 -0.182 0.000 2.467 418 H HA 0.204 4.761 4.556 0.001 0.000 0.331 418 H C 0.981 176.254 175.328 -0.092 0.000 1.120 418 H CA -0.309 55.723 56.048 -0.026 0.000 1.270 418 H CB 1.466 31.300 29.762 0.122 0.000 1.466 418 H HN 0.876 nan 8.280 nan 0.000 0.504 419 E N 3.171 123.528 120.200 0.261 0.000 2.114 419 E HA -0.211 4.140 4.350 0.001 0.000 0.199 419 E C 1.746 178.468 176.600 0.203 0.000 1.008 419 E CA 1.277 57.791 56.400 0.188 0.000 0.810 419 E CB 0.185 29.972 29.700 0.144 0.000 0.739 419 E HN 0.532 nan 8.360 nan 0.000 0.456 420 L N 0.682 122.073 121.223 0.281 0.000 2.079 420 L HA -0.187 4.153 4.340 0.001 0.000 0.210 420 L C 2.290 179.157 176.870 -0.005 0.000 1.081 420 L CA 2.089 56.932 54.840 0.007 0.000 0.752 420 L CB -0.655 41.257 42.059 -0.246 0.000 0.896 420 L HN 0.114 nan 8.230 nan 0.000 0.433 421 T N -1.030 113.509 114.554 -0.024 0.000 2.737 421 T HA -0.149 4.201 4.350 0.001 0.000 0.265 421 T C 2.007 176.731 174.700 0.039 0.000 1.038 421 T CA 1.609 63.689 62.100 -0.033 0.000 1.144 421 T CB -0.411 68.366 68.868 -0.152 0.000 0.866 421 T HN 0.657 nan 8.240 nan 0.000 0.434 422 S N 2.332 117.996 115.700 -0.059 0.000 2.368 422 S HA -0.142 4.329 4.470 0.001 0.000 0.225 422 S C 1.863 176.572 174.600 0.181 0.000 1.030 422 S CA 1.319 59.567 58.200 0.080 0.000 0.999 422 S CB -0.774 62.413 63.200 -0.022 0.000 0.844 422 S HN 0.587 nan 8.310 nan 0.000 0.459 423 N N 2.270 121.063 118.700 0.155 0.000 2.084 423 N HA -0.007 4.733 4.740 0.001 0.000 0.190 423 N C 2.140 177.834 175.510 0.306 0.000 1.030 423 N CA 0.992 54.173 53.050 0.218 0.000 0.849 423 N CB -0.435 38.175 38.487 0.204 0.000 1.012 423 N HN 0.546 nan 8.380 nan 0.000 0.423 424 A N 1.942 124.920 122.820 0.263 0.000 1.883 424 A HA -0.151 4.169 4.320 0.001 0.000 0.217 424 A C 2.095 179.859 177.584 0.299 0.000 1.186 424 A CA 1.140 53.371 52.037 0.324 0.000 0.624 424 A CB -0.565 18.523 19.000 0.148 0.000 0.822 424 A HN 0.141 nan 8.150 nan 0.000 0.444 425 I N 0.068 120.775 120.570 0.228 0.000 2.127 425 I HA -0.281 3.889 4.170 0.001 0.000 0.241 425 I C 3.159 179.360 176.117 0.140 0.000 1.075 425 I CA 1.827 63.232 61.300 0.174 0.000 1.334 425 I CB -1.797 36.329 38.000 0.210 0.000 1.040 425 I HN 0.377 nan 8.210 nan 0.000 0.405 426 L N 0.194 121.516 121.223 0.164 0.000 1.970 426 L HA -0.255 4.086 4.340 0.001 0.000 0.212 426 L C 2.740 179.656 176.870 0.076 0.000 1.071 426 L CA 2.592 57.498 54.840 0.110 0.000 0.751 426 L CB -2.075 40.063 42.059 0.132 0.000 0.889 426 L HN 0.275 nan 8.230 nan 0.000 0.432 427 F N -0.318 119.611 119.950 -0.035 0.000 2.184 427 F HA -0.226 4.301 4.527 0.001 0.000 0.301 427 F C 2.069 177.788 175.800 -0.136 0.000 1.076 427 F CA 1.952 59.843 58.000 -0.182 0.000 1.295 427 F CB -0.091 38.616 39.000 -0.489 0.000 1.026 427 F HN 0.197 nan 8.300 nan 0.000 0.494 428 L N -0.378 120.854 121.223 0.015 0.000 2.341 428 L HA -0.126 4.214 4.340 0.001 0.000 0.214 428 L C 2.340 179.143 176.870 -0.112 0.000 1.115 428 L CA 0.613 55.429 54.840 -0.041 0.000 0.820 428 L CB -0.589 41.519 42.059 0.082 0.000 0.944 428 L HN 0.242 nan 8.230 nan 0.000 0.452 429 Q N -0.111 119.632 119.800 -0.095 0.000 2.079 429 Q HA -0.213 4.128 4.340 0.001 0.000 0.200 429 Q C 2.039 177.953 176.000 -0.143 0.000 0.974 429 Q CA 1.202 56.948 55.803 -0.096 0.000 0.840 429 Q CB -0.181 28.519 28.738 -0.063 0.000 0.898 429 Q HN 0.621 nan 8.270 nan 0.000 0.430 430 Q N 0.840 120.519 119.800 -0.201 0.000 2.096 430 Q HA -0.116 4.224 4.340 0.001 0.000 0.204 430 Q C 2.256 178.121 176.000 -0.226 0.000 0.982 430 Q CA 1.001 56.675 55.803 -0.215 0.000 0.850 430 Q CB -0.264 28.298 28.738 -0.293 0.000 0.901 430 Q HN 0.363 nan 8.270 nan 0.000 0.422 431 L N 0.297 121.312 121.223 -0.347 0.000 2.189 431 L HA -0.229 4.111 4.340 0.001 0.000 0.214 431 L C 2.121 178.931 176.870 -0.101 0.000 1.097 431 L CA 0.495 55.174 54.840 -0.268 0.000 0.764 431 L CB -0.400 41.517 42.059 -0.237 0.000 0.900 431 L HN 0.250 nan 8.230 nan 0.000 0.436 432 L N 0.552 121.706 121.223 -0.115 0.000 2.079 432 L HA -0.231 4.109 4.340 0.001 0.000 0.210 432 L C 2.780 179.558 176.870 -0.153 0.000 1.081 432 L CA 2.426 57.206 54.840 -0.100 0.000 0.752 432 L CB -1.534 40.465 42.059 -0.100 0.000 0.896 432 L HN 0.399 nan 8.230 nan 0.000 0.433 433 D N -1.409 118.834 120.400 -0.261 0.000 2.221 433 D HA -0.182 4.459 4.640 0.001 0.000 0.204 433 D C 0.884 176.724 176.300 -0.766 0.000 0.982 433 D CA 1.371 55.020 54.000 -0.586 0.000 0.857 433 D CB -0.586 39.694 40.800 -0.866 0.000 0.934 433 D HN 0.370 nan 8.370 nan 0.000 0.475 434 F N -0.495 119.394 119.950 -0.101 0.000 2.623 434 F HA 0.310 4.838 4.527 0.001 0.000 0.361 434 F C 1.511 177.326 175.800 0.024 0.000 1.469 434 F CA -0.901 57.094 58.000 -0.009 0.000 1.126 434 F CB 0.195 39.237 39.000 0.071 0.000 1.221 434 F HN -0.039 nan 8.300 nan 0.000 0.536 435 Q N 0.631 120.501 119.800 0.116 0.000 1.985 435 Q HA -0.237 4.103 4.340 0.001 0.000 0.207 435 Q C 1.408 177.476 176.000 0.113 0.000 0.996 435 Q CA 2.489 58.346 55.803 0.091 0.000 0.851 435 Q CB -0.130 28.630 28.738 0.036 0.000 0.921 435 Q HN 0.488 nan 8.270 nan 0.000 0.418 436 E N 0.430 120.689 120.200 0.099 0.000 2.097 436 E HA -0.171 4.180 4.350 0.001 0.000 0.196 436 E C 2.027 178.693 176.600 0.110 0.000 1.000 436 E CA 1.813 58.267 56.400 0.090 0.000 0.804 436 E CB -0.593 29.151 29.700 0.074 0.000 0.740 436 E HN 0.271 nan 8.360 nan 0.000 0.454 437 T N 0.484 115.141 114.554 0.171 0.000 2.737 437 T HA -0.104 4.246 4.350 0.001 0.000 0.265 437 T C 1.998 176.777 174.700 0.131 0.000 1.038 437 T CA 1.436 63.632 62.100 0.161 0.000 1.144 437 T CB -0.466 68.567 68.868 0.275 0.000 0.866 437 T HN 0.335 nan 8.240 nan 0.000 0.434 438 A N 1.462 124.440 122.820 0.263 0.000 1.877 438 A HA 0.110 4.430 4.320 0.001 0.000 0.216 438 A C 2.628 180.260 177.584 0.081 0.000 1.186 438 A CA 1.925 54.111 52.037 0.248 0.000 0.620 438 A CB -1.433 17.746 19.000 0.298 0.000 0.822 438 A HN 0.507 nan 8.150 nan 0.000 0.443 439 G N -0.516 108.330 108.800 0.077 0.000 2.446 439 G HA2 -0.018 3.943 3.960 0.001 0.000 0.217 439 G HA3 -0.018 3.943 3.960 0.001 0.000 0.217 439 G C 1.745 176.669 174.900 0.040 0.000 1.168 439 G CA 1.528 46.651 45.100 0.039 0.000 0.771 439 G HN 0.846 nan 8.290 nan 0.000 0.551 440 A N 0.089 122.940 122.820 0.051 0.000 1.969 440 A HA 0.118 4.438 4.320 0.001 0.000 0.218 440 A C 2.317 179.913 177.584 0.019 0.000 1.169 440 A CA 1.736 53.804 52.037 0.051 0.000 0.635 440 A CB -0.329 18.695 19.000 0.039 0.000 0.810 440 A HN 0.416 nan 8.150 nan 0.000 0.445 441 M N -0.595 118.993 119.600 -0.020 0.000 2.067 441 M HA -0.098 4.383 4.480 0.001 0.000 0.260 441 M C 1.997 178.270 176.300 -0.045 0.000 1.069 441 M CA 1.694 56.950 55.300 -0.073 0.000 1.117 441 M CB -0.264 32.240 32.600 -0.160 0.000 1.334 441 M HN 0.427 nan 8.290 nan 0.000 0.407 442 L N -0.122 121.079 121.223 -0.037 0.000 2.046 442 L HA -0.179 4.161 4.340 0.001 0.000 0.208 442 L C 2.735 179.627 176.870 0.037 0.000 1.077 442 L CA 1.176 56.002 54.840 -0.023 0.000 0.747 442 L CB -0.997 41.036 42.059 -0.043 0.000 0.896 442 L HN 0.404 nan 8.230 nan 0.000 0.432 443 A N 0.387 123.253 122.820 0.076 0.000 1.917 443 A HA -0.259 4.061 4.320 0.001 0.000 0.219 443 A C 2.439 180.121 177.584 0.163 0.000 1.182 443 A CA 2.223 54.390 52.037 0.217 0.000 0.633 443 A CB -0.837 18.332 19.000 0.282 0.000 0.819 443 A HN 0.546 nan 8.150 nan 0.000 0.448 444 S N -1.163 114.582 115.700 0.075 0.000 2.547 444 S HA -0.083 4.387 4.470 0.001 0.000 0.235 444 S C 1.357 175.971 174.600 0.024 0.000 0.980 444 S CA 1.083 59.303 58.200 0.033 0.000 0.941 444 S CB -0.133 63.066 63.200 -0.002 0.000 0.763 444 S HN 0.587 nan 8.310 nan 0.000 0.532 445 Q N 0.341 120.163 119.800 0.036 0.000 2.319 445 Q HA 0.339 4.680 4.340 0.001 0.000 0.209 445 Q C 1.023 177.052 176.000 0.048 0.000 0.884 445 Q CA 0.774 56.593 55.803 0.027 0.000 0.938 445 Q CB -0.280 28.468 28.738 0.016 0.000 1.098 445 Q HN 0.903 nan 8.270 nan 0.000 0.517 456 S N 2.103 117.858 115.700 0.093 0.000 2.371 456 S HA -0.107 4.363 4.470 0.001 0.000 0.224 456 S C 2.176 176.834 174.600 0.095 0.000 1.029 456 S CA 1.443 59.694 58.200 0.086 0.000 0.978 456 S CB -0.331 62.903 63.200 0.056 0.000 0.833 456 S HN 0.963 nan 8.310 nan 0.000 0.466 457 E N 1.254 121.512 120.200 0.097 0.000 2.110 457 E HA -0.151 4.200 4.350 0.001 0.000 0.193 457 E C 1.732 178.395 176.600 0.105 0.000 0.988 457 E CA 1.074 57.524 56.400 0.084 0.000 0.804 457 E CB -1.432 28.315 29.700 0.078 0.000 0.745 457 E HN 0.655 nan 8.360 nan 0.000 0.458 458 F N 3.067 123.027 119.950 0.017 0.000 2.069 458 F HA -0.185 4.343 4.527 0.001 0.000 0.298 458 F C 2.705 178.520 175.800 0.024 0.000 1.113 458 F CA 2.494 60.505 58.000 0.019 0.000 1.214 458 F CB -0.708 38.300 39.000 0.014 0.000 0.978 458 F HN 0.282 nan 8.300 nan 0.000 0.474 459 S N -0.309 115.429 115.700 0.063 0.000 2.447 459 S HA -0.211 4.260 4.470 0.001 0.000 0.233 459 S C 2.129 176.688 174.600 -0.069 0.000 1.006 459 S CA 1.134 59.311 58.200 -0.038 0.000 0.957 459 S CB -0.708 62.547 63.200 0.092 0.000 0.773 459 S HN 0.585 nan 8.310 nan 0.000 0.507 460 K N 1.211 121.592 120.400 -0.032 0.000 2.025 460 K HA -0.008 4.313 4.320 0.001 0.000 0.207 460 K C 2.553 179.122 176.600 -0.053 0.000 1.049 460 K CA 0.945 57.220 56.287 -0.020 0.000 0.933 460 K CB -0.171 32.332 32.500 0.004 0.000 0.714 460 K HN 0.333 nan 8.250 nan 0.000 0.438 461 R N 0.525 120.967 120.500 -0.097 0.000 2.096 461 R HA -0.080 4.261 4.340 0.001 0.000 0.235 461 R C 2.476 178.687 176.300 -0.148 0.000 1.127 461 R CA 1.157 57.190 56.100 -0.111 0.000 0.968 461 R CB -0.319 29.907 30.300 -0.123 0.000 0.861 461 R HN 0.254 nan 8.270 nan 0.000 0.440 462 L N 0.771 121.833 121.223 -0.268 0.000 2.017 462 L HA -0.197 4.143 4.340 0.001 0.000 0.208 462 L C 2.432 179.275 176.870 -0.046 0.000 1.073 462 L CA 0.951 55.654 54.840 -0.229 0.000 0.745 462 L CB -0.291 41.550 42.059 -0.363 0.000 0.894 462 L HN 0.291 nan 8.230 nan 0.000 0.432 463 L N -0.984 120.225 121.223 -0.023 0.000 2.012 463 L HA -0.249 4.091 4.340 0.001 0.000 0.210 463 L C 2.650 179.583 176.870 0.105 0.000 1.073 463 L CA 2.277 57.158 54.840 0.068 0.000 0.748 463 L CB -0.723 41.364 42.059 0.046 0.000 0.891 463 L HN 0.326 nan 8.230 nan 0.000 0.431 464 S N -0.839 114.884 115.700 0.038 0.000 2.359 464 S HA -0.207 4.263 4.470 0.001 0.000 0.224 464 S C 1.901 176.518 174.600 0.029 0.000 1.035 464 S CA 2.187 60.404 58.200 0.029 0.000 1.018 464 S CB -0.281 62.919 63.200 0.000 0.000 0.876 464 S HN 0.635 nan 8.310 nan 0.000 0.448 465 T N 0.628 115.192 114.554 0.017 0.000 2.635 465 T HA -0.175 4.176 4.350 0.001 0.000 0.267 465 T C 1.488 176.207 174.700 0.031 0.000 1.040 465 T CA 1.864 63.971 62.100 0.011 0.000 1.156 465 T CB -0.770 68.097 68.868 -0.002 0.000 0.863 465 T HN 0.646 nan 8.240 nan 0.000 0.430 466 Y N 1.635 121.934 120.300 -0.001 0.000 2.165 466 Y HA -0.122 4.428 4.550 0.001 0.000 0.286 466 Y C 2.059 177.990 175.900 0.051 0.000 1.155 466 Y CA 0.955 59.074 58.100 0.031 0.000 1.164 466 Y CB -0.520 37.969 38.460 0.049 0.000 0.978 466 Y HN 0.198 nan 8.280 nan 0.000 0.513 467 I N -1.065 119.486 120.570 -0.032 0.000 2.226 467 I HA -0.374 3.796 4.170 0.001 0.000 0.245 467 I C 2.456 178.505 176.117 -0.114 0.000 1.100 467 I CA 1.306 62.563 61.300 -0.071 0.000 1.374 467 I CB -0.731 37.299 38.000 0.049 0.000 1.057 467 I HN 0.332 nan 8.210 nan 0.000 0.413 468 C N 0.586 119.842 119.300 -0.072 0.000 2.425 468 C HA -0.167 4.293 4.460 0.001 0.000 0.277 468 C C 2.836 177.767 174.990 -0.099 0.000 1.280 468 C CA 0.854 59.837 59.018 -0.059 0.000 1.744 468 C CB -0.934 26.783 27.740 -0.038 0.000 1.989 468 C HN 0.445 nan 8.230 nan 0.000 0.491 469 K N 0.765 121.074 120.400 -0.152 0.000 2.057 469 K HA -0.128 4.193 4.320 0.001 0.000 0.207 469 K C 1.848 178.328 176.600 -0.200 0.000 1.049 469 K CA 1.375 57.562 56.287 -0.167 0.000 0.931 469 K CB -0.095 32.300 32.500 -0.176 0.000 0.714 469 K HN 0.321 nan 8.250 nan 0.000 0.440 470 V N 1.713 121.451 119.914 -0.293 0.000 2.295 470 V HA -0.262 3.859 4.120 0.001 0.000 0.246 470 V C 2.315 178.345 176.094 -0.106 0.000 1.049 470 V CA 1.635 63.806 62.300 -0.214 0.000 1.024 470 V CB -0.386 31.334 31.823 -0.171 0.000 0.648 470 V HN 0.313 nan 8.190 nan 0.000 0.447 471 L N 0.405 121.587 121.223 -0.068 0.000 2.012 471 L HA -0.120 4.221 4.340 0.001 0.000 0.210 471 L C 2.701 179.557 176.870 -0.025 0.000 1.073 471 L CA 1.939 56.774 54.840 -0.008 0.000 0.748 471 L CB -1.291 40.790 42.059 0.037 0.000 0.891 471 L HN 0.473 nan 8.230 nan 0.000 0.431 472 G N -0.302 108.463 108.800 -0.059 0.000 2.440 472 G HA2 -0.292 3.668 3.960 0.001 0.000 0.218 472 G HA3 -0.292 3.668 3.960 0.001 0.000 0.218 472 G C 1.342 176.200 174.900 -0.070 0.000 1.154 472 G CA 1.042 46.096 45.100 -0.077 0.000 0.767 472 G HN 0.330 nan 8.290 nan 0.000 0.552 473 N N 0.019 118.669 118.700 -0.083 0.000 2.120 473 N HA -0.077 4.663 4.740 0.001 0.000 0.188 473 N C 1.965 177.428 175.510 -0.079 0.000 1.024 473 N CA 0.935 53.930 53.050 -0.090 0.000 0.852 473 N CB -0.422 37.990 38.487 -0.125 0.000 1.003 473 N HN 0.303 nan 8.380 nan 0.000 0.424 474 L N 1.114 122.296 121.223 -0.068 0.000 1.994 474 L HA -0.126 4.215 4.340 0.001 0.000 0.208 474 L C 2.209 179.083 176.870 0.006 0.000 1.071 474 L CA 1.797 56.610 54.840 -0.044 0.000 0.745 474 L CB -0.896 41.154 42.059 -0.014 0.000 0.892 474 L HN 0.220 nan 8.230 nan 0.000 0.431 475 Q N -0.336 119.482 119.800 0.029 0.000 2.096 475 Q HA -0.255 4.085 4.340 0.001 0.000 0.204 475 Q C 2.385 178.423 176.000 0.063 0.000 0.982 475 Q CA 2.421 58.270 55.803 0.078 0.000 0.850 475 Q CB -0.417 28.289 28.738 -0.053 0.000 0.901 475 Q HN 0.670 nan 8.270 nan 0.000 0.422 476 L N 1.116 122.340 121.223 0.001 0.000 2.141 476 L HA -0.164 4.176 4.340 0.001 0.000 0.209 476 L C 2.369 179.242 176.870 0.004 0.000 1.094 476 L CA 1.214 56.054 54.840 -0.000 0.000 0.763 476 L CB -0.382 41.660 42.059 -0.027 0.000 0.908 476 L HN 0.334 nan 8.230 nan 0.000 0.437 477 N N 0.111 118.803 118.700 -0.013 0.000 2.250 477 N HA -0.152 4.588 4.740 0.001 0.000 0.181 477 N C 1.936 177.447 175.510 0.003 0.000 1.017 477 N CA 0.989 54.021 53.050 -0.031 0.000 0.866 477 N CB 0.025 38.466 38.487 -0.077 0.000 0.985 477 N HN 0.375 nan 8.380 nan 0.000 0.429 478 L N 0.932 122.185 121.223 0.050 0.000 2.083 478 L HA -0.130 4.210 4.340 0.001 0.000 0.209 478 L C 2.542 179.521 176.870 0.182 0.000 1.083 478 L CA 0.650 55.575 54.840 0.142 0.000 0.752 478 L CB -0.407 41.709 42.059 0.095 0.000 0.899 478 L HN 0.193 nan 8.230 nan 0.000 0.433 479 L N -0.881 120.421 121.223 0.131 0.000 1.989 479 L HA -0.248 4.093 4.340 0.001 0.000 0.211 479 L C 2.761 179.670 176.870 0.064 0.000 1.071 479 L CA 1.425 56.335 54.840 0.117 0.000 0.749 479 L CB -0.394 41.727 42.059 0.104 0.000 0.890 479 L HN 0.213 nan 8.230 nan 0.000 0.431 480 S N -0.582 115.134 115.700 0.025 0.000 2.368 480 S HA -0.207 4.263 4.470 0.001 0.000 0.225 480 S C 1.917 176.481 174.600 -0.060 0.000 1.030 480 S CA 1.301 59.489 58.200 -0.020 0.000 0.999 480 S CB -0.103 63.075 63.200 -0.036 0.000 0.844 480 S HN 0.309 nan 8.310 nan 0.000 0.459 481 K N 1.334 121.703 120.400 -0.052 0.000 2.026 481 K HA -0.092 4.229 4.320 0.001 0.000 0.208 481 K C 2.528 178.968 176.600 -0.267 0.000 1.048 481 K CA 1.562 57.755 56.287 -0.156 0.000 0.929 481 K CB -0.318 32.136 32.500 -0.077 0.000 0.713 481 K HN 0.478 nan 8.250 nan 0.000 0.439 482 S N 1.189 116.844 115.700 -0.076 0.000 2.440 482 S HA -0.126 4.344 4.470 0.001 0.000 0.240 482 S C 1.441 176.017 174.600 -0.040 0.000 1.014 482 S CA 1.024 59.212 58.200 -0.019 0.000 0.980 482 S CB -0.182 63.166 63.200 0.245 0.000 0.775 482 S HN 0.122 nan 8.310 nan 0.000 0.499 483 K N 1.196 121.550 120.400 -0.077 0.000 2.515 483 K HA 0.177 4.498 4.320 0.001 0.000 0.196 483 K C 1.828 178.344 176.600 -0.141 0.000 1.038 483 K CA 0.478 56.724 56.287 -0.069 0.000 0.967 483 K CB -0.723 31.744 32.500 -0.055 0.000 0.780 483 K HN 0.450 nan 8.250 nan 0.000 0.483 484 V N 0.308 120.042 119.914 -0.300 0.000 2.453 484 V HA -0.150 3.970 4.120 0.001 0.000 0.247 484 V C 0.923 176.802 176.094 -0.358 0.000 1.048 484 V CA 0.869 62.933 62.300 -0.393 0.000 1.049 484 V CB -0.606 30.857 31.823 -0.600 0.000 0.672 484 V HN 0.146 nan 8.190 nan 0.000 0.457 485 Y N 0.753 120.948 120.300 -0.176 0.000 2.511 485 Y HA 0.343 4.894 4.550 0.001 0.000 0.332 485 Y C 1.719 177.571 175.900 -0.080 0.000 1.177 485 Y CA 0.380 58.396 58.100 -0.140 0.000 1.422 485 Y CB 0.268 38.615 38.460 -0.189 0.000 1.271 485 Y HN 0.182 nan 8.280 nan 0.000 0.550 486 E N 1.445 121.711 120.200 0.111 0.000 2.216 486 E HA -0.122 4.228 4.350 0.001 0.000 0.192 486 E C 0.323 176.971 176.600 0.080 0.000 0.988 486 E CA 1.072 57.512 56.400 0.067 0.000 0.834 486 E CB 0.006 29.737 29.700 0.053 0.000 0.772 486 E HN 0.634 nan 8.360 nan 0.000 0.479 487 D N 0.271 120.737 120.400 0.111 0.000 2.365 487 D HA 0.086 4.726 4.640 0.001 0.000 0.237 487 D C -1.579 174.757 176.300 0.061 0.000 1.190 487 D CA -2.192 51.876 54.000 0.112 0.000 0.867 487 D CB 1.775 42.707 40.800 0.221 0.000 1.050 487 D HN 0.016 nan 8.370 nan 0.000 0.491 488 P HA -0.156 nan 4.420 nan 0.000 0.221 488 P C 0.954 178.272 177.300 0.031 0.000 1.145 488 P CA 0.698 63.822 63.100 0.041 0.000 0.795 488 P CB 0.331 32.057 31.700 0.042 0.000 0.775 489 A N -0.446 122.418 122.820 0.073 0.000 1.970 489 A HA -0.076 4.245 4.320 0.001 0.000 0.216 489 A C 2.154 179.659 177.584 -0.131 0.000 1.170 489 A CA 0.866 52.987 52.037 0.141 0.000 0.645 489 A CB -1.332 17.880 19.000 0.354 0.000 0.816 489 A HN 0.170 nan 8.150 nan 0.000 0.447 490 L N -0.124 120.772 121.223 -0.546 0.000 2.109 490 L HA -0.027 4.314 4.340 0.001 0.000 0.207 490 L C 2.443 178.890 176.870 -0.705 0.000 1.086 490 L CA 2.309 56.430 54.840 -1.198 0.000 0.760 490 L CB -0.649 40.605 42.059 -1.341 0.000 0.910 490 L HN 0.275 nan 8.230 nan 0.000 0.437 491 S N -0.009 115.491 115.700 -0.334 0.000 2.370 491 S HA -0.193 4.277 4.470 0.001 0.000 0.226 491 S C 2.100 176.700 174.600 -0.000 0.000 1.033 491 S CA 1.197 59.372 58.200 -0.041 0.000 1.011 491 S CB -0.628 62.617 63.200 0.075 0.000 0.852 491 S HN 0.656 nan 8.310 nan 0.000 0.457 492 A N 1.614 124.416 122.820 -0.029 0.000 1.898 492 A HA -0.030 4.291 4.320 0.001 0.000 0.216 492 A C 2.016 179.592 177.584 -0.012 0.000 1.181 492 A CA 1.034 53.087 52.037 0.026 0.000 0.620 492 A CB -0.530 18.529 19.000 0.098 0.000 0.819 492 A HN 0.387 nan 8.150 nan 0.000 0.442 493 I N -1.314 119.188 120.570 -0.114 0.000 2.179 493 I HA -0.187 3.984 4.170 0.001 0.000 0.242 493 I C 2.315 178.365 176.117 -0.111 0.000 1.088 493 I CA 1.225 62.418 61.300 -0.178 0.000 1.357 493 I CB -1.447 36.347 38.000 -0.344 0.000 1.051 493 I HN 0.458 nan 8.210 nan 0.000 0.409 494 F N 1.884 121.653 119.950 -0.301 0.000 2.043 494 F HA -0.252 4.275 4.527 0.001 0.000 0.297 494 F C 2.430 178.116 175.800 -0.190 0.000 1.121 494 F CA 1.822 59.696 58.000 -0.211 0.000 1.199 494 F CB -0.569 38.348 39.000 -0.138 0.000 0.968 494 F HN -0.072 nan 8.300 nan 0.000 0.478 495 L N -0.414 120.686 121.223 -0.205 0.000 2.127 495 L HA -0.275 4.065 4.340 0.001 0.000 0.211 495 L C 2.760 179.266 176.870 -0.607 0.000 1.089 495 L CA 1.676 56.161 54.840 -0.592 0.000 0.757 495 L CB -1.143 40.649 42.059 -0.445 0.000 0.899 495 L HN 0.400 nan 8.230 nan 0.000 0.434 496 H N 0.710 119.592 119.070 -0.314 0.000 2.326 496 H HA -0.144 4.412 4.556 0.001 0.000 0.301 496 H C 1.875 177.112 175.328 -0.151 0.000 1.081 496 H CA 1.765 57.718 56.048 -0.158 0.000 1.334 496 H CB 0.135 29.828 29.762 -0.116 0.000 1.385 496 H HN 0.338 nan 8.280 nan 0.000 0.504 497 N N 1.033 119.625 118.700 -0.180 0.000 2.120 497 N HA -0.135 4.606 4.740 0.001 0.000 0.188 497 N C 1.718 177.092 175.510 -0.225 0.000 1.024 497 N CA 0.917 53.855 53.050 -0.187 0.000 0.852 497 N CB -0.411 38.002 38.487 -0.124 0.000 1.003 497 N HN 0.534 nan 8.380 nan 0.000 0.424 498 N N 0.071 118.556 118.700 -0.358 0.000 2.250 498 N HA -0.064 4.676 4.740 0.001 0.000 0.181 498 N C 1.703 177.219 175.510 0.010 0.000 1.017 498 N CA 0.615 53.505 53.050 -0.267 0.000 0.866 498 N CB -0.175 38.004 38.487 -0.512 0.000 0.985 498 N HN 0.449 nan 8.380 nan 0.000 0.429 499 Y N 1.357 121.591 120.300 -0.110 0.000 2.263 499 Y HA -0.092 4.458 4.550 0.001 0.000 0.292 499 Y C 2.601 178.459 175.900 -0.070 0.000 1.130 499 Y CA 0.222 58.319 58.100 -0.005 0.000 1.179 499 Y CB -0.093 38.402 38.460 0.058 0.000 0.998 499 Y HN 0.175 nan 8.280 nan 0.000 0.532 500 N N 0.262 118.949 118.700 -0.021 0.000 2.080 500 N HA -0.275 4.465 4.740 0.001 0.000 0.189 500 N C 1.912 177.391 175.510 -0.052 0.000 1.036 500 N CA 1.240 54.221 53.050 -0.115 0.000 0.846 500 N CB -0.517 37.787 38.487 -0.305 0.000 1.015 500 N HN 0.325 nan 8.380 nan 0.000 0.423 501 Y N 1.842 122.061 120.300 -0.135 0.000 2.069 501 Y HA -0.228 4.322 4.550 0.001 0.000 0.278 501 Y C 2.378 178.208 175.900 -0.117 0.000 1.175 501 Y CA 1.952 59.989 58.100 -0.105 0.000 1.134 501 Y CB -0.418 37.986 38.460 -0.092 0.000 0.965 501 Y HN 0.110 nan 8.280 nan 0.000 0.498 502 I N -0.254 120.349 120.570 0.055 0.000 2.179 502 I HA -0.304 3.866 4.170 0.001 0.000 0.242 502 I C 2.465 178.368 176.117 -0.357 0.000 1.088 502 I CA 1.142 62.366 61.300 -0.127 0.000 1.357 502 I CB -0.486 37.450 38.000 -0.107 0.000 1.051 502 I HN 0.353 nan 8.210 nan 0.000 0.409 503 L N 1.153 122.150 121.223 -0.377 0.000 2.275 503 L HA -0.135 4.206 4.340 0.001 0.000 0.215 503 L C 1.855 178.578 176.870 -0.245 0.000 1.119 503 L CA 1.875 56.482 54.840 -0.389 0.000 0.790 503 L CB -0.560 41.368 42.059 -0.217 0.000 0.919 503 L HN 0.292 nan 8.230 nan 0.000 0.443 504 K N -1.222 119.041 120.400 -0.229 0.000 2.374 504 K HA 0.105 4.425 4.320 0.001 0.000 0.196 504 K C 1.682 178.130 176.600 -0.253 0.000 1.023 504 K CA 0.159 56.323 56.287 -0.205 0.000 1.103 504 K CB 0.549 32.941 32.500 -0.180 0.000 0.848 504 K HN 0.168 nan 8.250 nan 0.000 0.528 505 S N 0.570 116.089 115.700 -0.302 0.000 2.492 505 S HA 0.085 4.555 4.470 0.001 0.000 0.218 505 S C 0.883 175.365 174.600 -0.197 0.000 1.016 505 S CA 0.184 58.213 58.200 -0.285 0.000 0.916 505 S CB 0.266 63.261 63.200 -0.342 0.000 0.791 505 S HN 0.072 nan 8.310 nan 0.000 0.513 506 L N 1.871 122.972 121.223 -0.204 0.000 2.645 506 L HA 0.311 4.651 4.340 0.001 0.000 0.234 506 L C 1.011 177.806 176.870 -0.125 0.000 1.165 506 L CA 0.888 55.632 54.840 -0.160 0.000 0.944 506 L CB -0.773 41.168 42.059 -0.196 0.000 1.149 506 L HN 0.232 nan 8.230 nan 0.000 0.446 507 E N -1.805 118.319 120.200 -0.127 0.000 2.665 507 E HA 0.103 4.453 4.350 0.001 0.000 0.225 507 E C 1.243 177.789 176.600 -0.091 0.000 0.922 507 E CA -0.031 56.311 56.400 -0.097 0.000 1.242 507 E CB 0.506 30.150 29.700 -0.094 0.000 1.197 507 E HN 0.268 nan 8.360 nan 0.000 0.581 508 K N 0.754 121.089 120.400 -0.108 0.000 2.361 508 K HA 0.120 4.441 4.320 0.001 0.000 0.194 508 K C 0.625 177.176 176.600 -0.082 0.000 1.032 508 K CA 0.350 56.579 56.287 -0.096 0.000 1.048 508 K CB 0.766 33.194 32.500 -0.119 0.000 0.842 508 K HN 0.006 nan 8.250 nan 0.000 0.526 509 S N -0.301 115.348 115.700 -0.083 0.000 2.732 509 S HA 0.140 4.610 4.470 0.001 0.000 0.293 509 S C 0.320 174.881 174.600 -0.064 0.000 1.159 509 S CA -0.987 57.169 58.200 -0.072 0.000 0.847 509 S CB 1.380 64.535 63.200 -0.075 0.000 1.169 509 S HN 0.238 nan 8.310 nan 0.000 0.501 510 E N 0.066 120.232 120.200 -0.058 0.000 2.463 510 E HA 0.152 4.502 4.350 0.001 0.000 0.191 510 E C 0.977 177.551 176.600 -0.044 0.000 1.083 510 E CA -0.057 56.315 56.400 -0.048 0.000 0.872 510 E CB -0.559 29.115 29.700 -0.044 0.000 0.966 510 E HN 0.589 nan 8.360 nan 0.000 0.491 511 L N 0.366 121.558 121.223 -0.051 0.000 2.012 511 L HA -0.208 4.132 4.340 0.001 0.000 0.210 511 L C 2.439 179.287 176.870 -0.037 0.000 1.073 511 L CA 0.957 55.771 54.840 -0.043 0.000 0.748 511 L CB -0.348 41.678 42.059 -0.054 0.000 0.891 511 L HN 0.278 nan 8.230 nan 0.000 0.431 512 I N -0.223 120.318 120.570 -0.048 0.000 2.423 512 I HA -0.335 3.835 4.170 0.001 0.000 0.254 512 I C 2.461 178.565 176.117 -0.021 0.000 1.151 512 I CA 1.503 62.781 61.300 -0.037 0.000 1.421 512 I CB -0.258 37.715 38.000 -0.046 0.000 1.079 512 I HN 0.306 nan 8.210 nan 0.000 0.431 513 Q N -0.914 118.872 119.800 -0.023 0.000 2.311 513 Q HA -0.082 4.258 4.340 0.001 0.000 0.203 513 Q C 1.896 177.890 176.000 -0.010 0.000 0.954 513 Q CA 0.624 56.417 55.803 -0.016 0.000 0.885 513 Q CB 0.151 28.878 28.738 -0.018 0.000 0.963 513 Q HN 0.384 nan 8.270 nan 0.000 0.471 514 L N -0.363 120.853 121.223 -0.011 0.000 2.162 514 L HA -0.047 4.294 4.340 0.001 0.000 0.205 514 L C 2.159 179.030 176.870 0.001 0.000 1.086 514 L CA 0.930 55.768 54.840 -0.003 0.000 0.778 514 L CB -0.684 41.375 42.059 0.001 0.000 0.928 514 L HN 0.147 nan 8.230 nan 0.000 0.446 515 V N 0.091 120.005 119.914 -0.000 0.000 2.379 515 V HA -0.169 3.951 4.120 0.001 0.000 0.245 515 V C 2.803 178.900 176.094 0.004 0.000 1.044 515 V CA 1.292 63.595 62.300 0.005 0.000 1.036 515 V CB -0.955 30.875 31.823 0.011 0.000 0.664 515 V HN 0.433 nan 8.190 nan 0.000 0.453 516 A N 0.132 122.954 122.820 0.003 0.000 1.978 516 A HA -0.181 4.140 4.320 0.001 0.000 0.220 516 A C 2.375 179.959 177.584 -0.000 0.000 1.170 516 A CA 1.985 54.023 52.037 0.002 0.000 0.636 516 A CB -0.734 18.266 19.000 0.000 0.000 0.810 516 A HN 0.363 nan 8.150 nan 0.000 0.448 517 V N 0.193 120.106 119.914 -0.002 0.000 2.370 517 V HA -0.259 3.861 4.120 0.001 0.000 0.252 517 V C 2.591 178.682 176.094 -0.005 0.000 1.068 517 V CA 2.482 64.781 62.300 -0.003 0.000 1.061 517 V CB -1.136 30.684 31.823 -0.005 0.000 0.656 517 V HN 0.888 nan 8.190 nan 0.000 0.455 518 T N -5.238 109.312 114.554 -0.006 0.000 2.958 518 T HA 0.166 4.516 4.350 0.001 0.000 0.256 518 T C 0.714 175.409 174.700 -0.009 0.000 0.983 518 T CA -0.195 61.899 62.100 -0.009 0.000 0.924 518 T CB 0.402 69.262 68.868 -0.014 0.000 1.136 518 T HN 0.306 nan 8.240 nan 0.000 0.506 519 Q N 1.431 121.228 119.800 -0.006 0.000 2.644 519 Q HA 0.473 4.813 4.340 0.001 0.000 0.245 519 Q C 1.099 177.098 176.000 -0.001 0.000 1.064 519 Q CA -0.088 55.711 55.803 -0.007 0.000 0.860 519 Q CB 1.311 30.047 28.738 -0.004 0.000 1.145 519 Q HN 0.603 nan 8.270 nan 0.000 0.515 520 K N 1.031 121.429 120.400 -0.003 0.000 1.988 520 K HA -0.165 4.155 4.320 0.001 0.000 0.221 520 K C 1.673 178.275 176.600 0.004 0.000 1.053 520 K CA 2.566 58.854 56.287 0.000 0.000 0.959 520 K CB -1.438 31.062 32.500 -0.001 0.000 0.728 520 K HN 0.619 nan 8.250 nan 0.000 0.447 521 T N -2.250 112.304 114.554 -0.000 0.000 3.194 521 T HA 0.490 4.841 4.350 0.001 0.000 0.251 521 T C 1.980 176.685 174.700 0.010 0.000 1.132 521 T CA 0.848 62.950 62.100 0.004 0.000 1.028 521 T CB -0.117 68.749 68.868 -0.003 0.000 0.976 521 T HN 0.591 nan 8.240 nan 0.000 0.535 522 A N 2.396 125.226 122.820 0.016 0.000 1.909 522 A HA -0.307 4.013 4.320 0.001 0.000 0.221 522 A C 2.271 179.948 177.584 0.155 0.000 1.223 522 A CA 2.344 54.410 52.037 0.049 0.000 0.658 522 A CB -1.102 17.955 19.000 0.096 0.000 0.831 522 A HN 0.703 nan 8.150 nan 0.000 0.462 523 E N -0.789 119.490 120.200 0.132 0.000 2.085 523 E HA -0.252 4.099 4.350 0.001 0.000 0.194 523 E C 2.291 178.962 176.600 0.119 0.000 0.994 523 E CA 1.404 57.885 56.400 0.136 0.000 0.801 523 E CB -0.156 29.576 29.700 0.052 0.000 0.743 523 E HN 0.619 nan 8.360 nan 0.000 0.453 524 R N -0.045 120.495 120.500 0.066 0.000 2.081 524 R HA -0.105 4.236 4.340 0.001 0.000 0.235 524 R C 2.405 178.735 176.300 0.051 0.000 1.131 524 R CA 1.720 57.849 56.100 0.049 0.000 0.960 524 R CB -0.192 30.124 30.300 0.026 0.000 0.856 524 R HN 0.088 nan 8.270 nan 0.000 0.436 525 S N -0.192 115.518 115.700 0.017 0.000 2.370 525 S HA -0.173 4.297 4.470 0.001 0.000 0.226 525 S C 1.631 176.214 174.600 -0.028 0.000 1.033 525 S CA 1.436 59.623 58.200 -0.023 0.000 1.011 525 S CB -0.400 62.704 63.200 -0.159 0.000 0.852 525 S HN 0.407 nan 8.310 nan 0.000 0.457 526 Y N 1.613 121.886 120.300 -0.046 0.000 2.181 526 Y HA -0.098 4.452 4.550 0.001 0.000 0.288 526 Y C 2.652 178.561 175.900 0.015 0.000 1.146 526 Y CA 1.226 59.274 58.100 -0.087 0.000 1.164 526 Y CB -0.181 38.212 38.460 -0.111 0.000 0.982 526 Y HN 0.116 nan 8.280 nan 0.000 0.515 527 R N 0.060 120.665 120.500 0.174 0.000 2.083 527 R HA -0.208 4.132 4.340 0.001 0.000 0.237 527 R C 2.088 178.456 176.300 0.112 0.000 1.137 527 R CA 1.910 58.084 56.100 0.123 0.000 0.951 527 R CB -0.367 29.983 30.300 0.083 0.000 0.851 527 R HN 0.401 nan 8.270 nan 0.000 0.434 528 E N -0.544 119.709 120.200 0.088 0.000 2.077 528 E HA -0.178 4.172 4.350 0.001 0.000 0.193 528 E C 1.998 178.616 176.600 0.031 0.000 0.989 528 E CA 1.136 57.560 56.400 0.040 0.000 0.800 528 E CB -0.036 29.662 29.700 -0.003 0.000 0.746 528 E HN 0.446 nan 8.360 nan 0.000 0.452 529 H N -0.207 118.867 119.070 0.006 0.000 2.387 529 H HA -0.085 4.471 4.556 0.001 0.000 0.299 529 H C 2.268 177.716 175.328 0.200 0.000 1.090 529 H CA 1.201 57.285 56.048 0.060 0.000 1.332 529 H CB 0.023 29.723 29.762 -0.103 0.000 1.386 529 H HN 0.209 nan 8.280 nan 0.000 0.516 530 I N 0.504 121.260 120.570 0.310 0.000 2.226 530 I HA -0.256 3.915 4.170 0.001 0.000 0.245 530 I C 2.833 179.100 176.117 0.250 0.000 1.100 530 I CA 1.302 62.776 61.300 0.291 0.000 1.374 530 I CB -0.209 37.907 38.000 0.194 0.000 1.057 530 I HN 0.153 nan 8.210 nan 0.000 0.413 531 E N 0.343 120.645 120.200 0.169 0.000 2.051 531 E HA -0.252 4.098 4.350 0.001 0.000 0.192 531 E C 2.265 178.930 176.600 0.109 0.000 0.991 531 E CA 1.799 58.273 56.400 0.124 0.000 0.799 531 E CB -0.373 29.375 29.700 0.079 0.000 0.748 531 E HN 0.591 nan 8.360 nan 0.000 0.449 532 Q N -0.460 119.390 119.800 0.084 0.000 2.124 532 Q HA -0.143 4.197 4.340 0.001 0.000 0.202 532 Q C 2.534 178.597 176.000 0.104 0.000 0.977 532 Q CA 1.720 57.559 55.803 0.060 0.000 0.850 532 Q CB -0.510 28.223 28.738 -0.009 0.000 0.901 532 Q HN 0.562 nan 8.270 nan 0.000 0.429 533 Q N -0.226 119.668 119.800 0.157 0.000 2.124 533 Q HA 0.006 4.346 4.340 0.001 0.000 0.202 533 Q C 2.160 178.253 176.000 0.155 0.000 0.977 533 Q CA 1.234 57.134 55.803 0.162 0.000 0.850 533 Q CB -0.404 28.448 28.738 0.190 0.000 0.901 533 Q HN 0.562 nan 8.270 nan 0.000 0.429 534 I N 0.733 121.391 120.570 0.147 0.000 2.226 534 I HA -0.314 3.857 4.170 0.001 0.000 0.245 534 I C 2.412 178.640 176.117 0.186 0.000 1.100 534 I CA 1.194 62.564 61.300 0.117 0.000 1.374 534 I CB -0.270 37.764 38.000 0.057 0.000 1.057 534 I HN 0.245 nan 8.210 nan 0.000 0.413 535 Q N -0.001 119.878 119.800 0.132 0.000 2.124 535 Q HA -0.180 4.161 4.340 0.001 0.000 0.202 535 Q C 2.199 178.263 176.000 0.107 0.000 0.977 535 Q CA 2.026 57.894 55.803 0.109 0.000 0.850 535 Q CB -0.233 28.548 28.738 0.072 0.000 0.901 535 Q HN 0.506 nan 8.270 nan 0.000 0.429 536 T N 0.200 114.822 114.554 0.114 0.000 2.821 536 T HA -0.182 4.169 4.350 0.001 0.000 0.267 536 T C 1.405 176.171 174.700 0.110 0.000 1.046 536 T CA 1.204 63.361 62.100 0.095 0.000 1.139 536 T CB -0.404 68.520 68.868 0.092 0.000 0.871 536 T HN 0.396 nan 8.240 nan 0.000 0.454 537 Y N 2.306 122.656 120.300 0.084 0.000 2.097 537 Y HA -0.225 4.325 4.550 0.001 0.000 0.282 537 Y C 2.413 178.440 175.900 0.212 0.000 1.152 537 Y CA 1.477 59.658 58.100 0.135 0.000 1.136 537 Y CB -0.668 37.851 38.460 0.098 0.000 0.975 537 Y HN 0.210 nan 8.280 nan 0.000 0.498 538 Q N 0.064 119.830 119.800 -0.056 0.000 2.308 538 Q HA -0.245 4.095 4.340 0.001 0.000 0.209 538 Q C 2.201 178.190 176.000 -0.019 0.000 0.985 538 Q CA 1.640 57.421 55.803 -0.037 0.000 0.881 538 Q CB -0.281 28.525 28.738 0.112 0.000 0.917 538 Q HN 0.546 nan 8.270 nan 0.000 0.443 539 R N 0.335 120.816 120.500 -0.032 0.000 2.159 539 R HA -0.125 4.216 4.340 0.001 0.000 0.237 539 R C 2.535 178.810 176.300 -0.042 0.000 1.131 539 R CA 1.439 57.534 56.100 -0.010 0.000 0.982 539 R CB -0.253 30.046 30.300 -0.001 0.000 0.868 539 R HN 0.310 nan 8.270 nan 0.000 0.453 540 S N -0.781 114.837 115.700 -0.136 0.000 2.469 540 S HA -0.152 4.319 4.470 0.001 0.000 0.238 540 S C 1.281 175.713 174.600 -0.279 0.000 0.998 540 S CA 0.600 58.674 58.200 -0.209 0.000 0.957 540 S CB -0.292 62.731 63.200 -0.294 0.000 0.764 540 S HN 0.442 nan 8.310 nan 0.000 0.514 541 W N 1.302 122.498 121.300 -0.174 0.000 3.003 541 W HA 0.457 5.117 4.660 0.001 0.000 0.257 541 W C 1.785 178.268 176.519 -0.061 0.000 1.308 541 W CA -0.535 56.743 57.345 -0.112 0.000 1.529 541 W CB -0.236 29.172 29.460 -0.087 0.000 1.115 541 W HN 0.228 nan 8.180 nan 0.000 0.659 542 L N 0.573 121.866 121.223 0.116 0.000 2.127 542 L HA -0.247 4.093 4.340 0.001 0.000 0.211 542 L C 2.460 179.348 176.870 0.030 0.000 1.089 542 L CA 1.436 56.317 54.840 0.070 0.000 0.757 542 L CB -0.716 41.359 42.059 0.027 0.000 0.899 542 L HN -0.042 nan 8.230 nan 0.000 0.434 543 K N -0.104 120.289 120.400 -0.011 0.000 2.209 543 K HA -0.132 4.188 4.320 0.001 0.000 0.204 543 K C 1.837 178.474 176.600 0.063 0.000 1.048 543 K CA 1.013 57.286 56.287 -0.023 0.000 0.940 543 K CB 0.177 32.643 32.500 -0.057 0.000 0.729 543 K HN 0.096 nan 8.250 nan 0.000 0.451 544 V N 0.502 120.452 119.914 0.061 0.000 2.300 544 V HA -0.178 3.943 4.120 0.001 0.000 0.241 544 V C 2.381 178.657 176.094 0.303 0.000 1.034 544 V CA 2.069 64.441 62.300 0.120 0.000 1.021 544 V CB -0.399 31.409 31.823 -0.026 0.000 0.662 544 V HN 0.603 nan 8.190 nan 0.000 0.458 545 T N -2.276 112.448 114.554 0.282 0.000 2.962 545 T HA -0.201 4.149 4.350 0.001 0.000 0.270 545 T C 1.429 176.207 174.700 0.130 0.000 1.088 545 T CA 1.487 63.741 62.100 0.256 0.000 1.127 545 T CB -0.487 68.508 68.868 0.211 0.000 0.883 545 T HN 0.349 nan 8.240 nan 0.000 0.493 546 D N 0.508 120.942 120.400 0.057 0.000 2.221 546 D HA -0.039 4.601 4.640 0.001 0.000 0.204 546 D C 1.467 177.694 176.300 -0.121 0.000 0.982 546 D CA 0.857 54.820 54.000 -0.062 0.000 0.857 546 D CB -0.446 40.267 40.800 -0.145 0.000 0.934 546 D HN 0.562 nan 8.370 nan 0.000 0.475 547 Y N 0.366 120.638 120.300 -0.047 0.000 2.293 547 Y HA -0.054 4.497 4.550 0.001 0.000 0.291 547 Y C 2.063 177.795 175.900 -0.281 0.000 1.137 547 Y CA 0.714 58.740 58.100 -0.123 0.000 1.202 547 Y CB 0.003 38.413 38.460 -0.083 0.000 0.990 547 Y HN 0.051 nan 8.280 nan 0.000 0.537 548 I N -2.740 117.740 120.570 -0.150 0.000 3.927 548 I HA 0.544 4.714 4.170 0.001 0.000 0.332 548 I C 0.533 176.591 176.117 -0.098 0.000 1.485 548 I CA -0.556 60.506 61.300 -0.396 0.000 1.131 548 I CB -0.284 37.247 38.000 -0.781 0.000 1.092 548 I HN -0.093 nan 8.210 nan 0.000 0.410 549 A N 1.274 124.074 122.820 -0.034 0.000 2.287 549 A HA 0.376 4.696 4.320 0.001 0.000 0.273 549 A C 1.254 178.854 177.584 0.026 0.000 1.091 549 A CA -0.300 51.745 52.037 0.015 0.000 0.817 549 A CB 0.568 19.574 19.000 0.010 0.000 1.069 549 A HN 0.324 nan 8.150 nan 0.000 0.492 550 E N 1.093 121.320 120.200 0.045 0.000 2.070 550 E HA -0.265 4.086 4.350 0.001 0.000 0.197 550 E C 1.792 178.407 176.600 0.026 0.000 1.004 550 E CA 2.089 58.520 56.400 0.051 0.000 0.805 550 E CB -0.410 29.320 29.700 0.050 0.000 0.744 550 E HN 0.848 nan 8.360 nan 0.000 0.451 551 K N 0.629 121.033 120.400 0.008 0.000 2.360 551 K HA -0.116 4.204 4.320 0.001 0.000 0.201 551 K C 1.489 178.073 176.600 -0.027 0.000 1.046 551 K CA 1.529 57.810 56.287 -0.010 0.000 0.940 551 K CB -0.192 32.298 32.500 -0.017 0.000 0.748 551 K HN 0.009 nan 8.250 nan 0.000 0.465 552 N N 0.326 119.006 118.700 -0.032 0.000 2.214 552 N HA 0.144 4.884 4.740 0.001 0.000 0.214 552 N C -0.737 174.746 175.510 -0.045 0.000 1.132 552 N CA -0.244 52.774 53.050 -0.054 0.000 0.856 552 N CB 0.377 38.813 38.487 -0.085 0.000 1.020 552 N HN 0.114 nan 8.380 nan 0.000 0.509 553 L N 1.577 122.793 121.223 -0.013 0.000 2.319 553 L HA 0.572 4.912 4.340 0.001 0.000 0.267 553 L C -2.078 174.803 176.870 0.018 0.000 1.011 553 L CA -1.969 52.874 54.840 0.004 0.000 0.818 553 L CB 1.762 43.871 42.059 0.084 0.000 1.316 553 L HN 0.010 nan 8.230 nan 0.000 0.432 554 P HA 0.026 nan 4.420 nan 0.000 0.268 554 P C 0.782 178.109 177.300 0.044 0.000 1.204 554 P CA -0.246 62.863 63.100 0.014 0.000 0.768 554 P CB 1.314 33.038 31.700 0.040 0.000 0.842 555 V N 3.187 123.079 119.914 -0.037 0.000 2.332 555 V HA -0.170 3.951 4.120 0.001 0.000 0.248 555 V C 1.333 177.598 176.094 0.285 0.000 1.055 555 V CA 1.465 63.784 62.300 0.031 0.000 1.038 555 V CB -0.928 30.809 31.823 -0.144 0.000 0.651 555 V HN 0.472 nan 8.190 nan 0.000 0.450 556 F N -0.098 119.868 119.950 0.027 0.000 2.397 556 F HA 0.441 4.969 4.527 0.001 0.000 0.331 556 F C 0.610 176.425 175.800 0.024 0.000 1.090 556 F CA -0.836 57.175 58.000 0.019 0.000 1.065 556 F CB 0.923 39.930 39.000 0.013 0.000 1.184 556 F HN 0.009 nan 8.300 nan 0.000 0.499 557 Q N 4.015 123.927 119.800 0.187 0.000 2.706 557 Q HA 0.237 4.577 4.340 0.001 0.000 0.250 557 Q C -2.116 173.905 176.000 0.034 0.000 1.120 557 Q CA -1.837 54.008 55.803 0.071 0.000 0.972 557 Q CB 0.440 29.170 28.738 -0.012 0.000 1.173 557 Q HN 0.390 nan 8.270 nan 0.000 0.522 558 P HA 0.196 nan 4.420 nan 0.000 0.273 558 P C 0.182 177.485 177.300 0.005 0.000 1.250 558 P CA -0.124 63.002 63.100 0.045 0.000 0.793 558 P CB 1.052 32.801 31.700 0.080 0.000 1.011 559 G N -1.331 107.470 108.800 0.001 0.000 4.541 559 G HA2 0.122 4.082 3.960 0.001 0.000 0.246 559 G HA3 0.122 4.082 3.960 0.001 0.000 0.246 559 G C 0.806 175.704 174.900 -0.002 0.000 1.034 559 G CA -0.061 45.032 45.100 -0.012 0.000 0.818 559 G HN 0.286 nan 8.290 nan 0.000 0.359 560 V N 0.534 120.452 119.914 0.008 0.000 2.407 560 V HA 0.078 4.198 4.120 0.001 0.000 0.248 560 V C 0.925 177.026 176.094 0.011 0.000 1.055 560 V CA 2.279 64.585 62.300 0.009 0.000 1.049 560 V CB -0.523 31.309 31.823 0.015 0.000 0.662 560 V HN 0.725 nan 8.190 nan 0.000 0.455 561 K N -1.449 118.962 120.400 0.018 0.000 2.479 561 K HA 0.218 4.538 4.320 0.001 0.000 0.320 561 K C -1.270 175.350 176.600 0.032 0.000 1.255 561 K CA -0.304 55.996 56.287 0.022 0.000 1.151 561 K CB -1.022 31.488 32.500 0.018 0.000 1.421 561 K HN 0.005 nan 8.250 nan 0.000 0.448 562 L N 4.034 125.283 121.223 0.043 0.000 2.654 562 L HA 0.104 4.444 4.340 0.001 0.000 0.271 562 L C 0.472 177.372 176.870 0.050 0.000 1.169 562 L CA 0.273 55.147 54.840 0.057 0.000 0.947 562 L CB -0.072 42.040 42.059 0.088 0.000 1.232 562 L HN 0.525 nan 8.230 nan 0.000 0.486 563 R N 2.155 122.681 120.500 0.043 0.000 2.528 563 R HA 0.041 4.381 4.340 0.001 0.000 0.271 563 R C 1.270 177.592 176.300 0.036 0.000 1.056 563 R CA -0.591 55.530 56.100 0.035 0.000 1.117 563 R CB 0.739 31.056 30.300 0.028 0.000 1.085 563 R HN 0.655 nan 8.270 nan 0.000 0.530 564 D N 1.969 122.388 120.400 0.031 0.000 2.218 564 D HA -0.279 4.361 4.640 0.001 0.000 0.194 564 D C 0.751 177.067 176.300 0.026 0.000 1.007 564 D CA 1.717 55.735 54.000 0.031 0.000 0.879 564 D CB 0.058 40.873 40.800 0.025 0.000 0.918 564 D HN 0.282 nan 8.370 nan 0.000 0.449 565 K N 0.591 121.003 120.400 0.019 0.000 2.001 565 K HA -0.050 4.270 4.320 0.001 0.000 0.208 565 K C 2.240 178.843 176.600 0.004 0.000 1.048 565 K CA 0.674 56.967 56.287 0.010 0.000 0.932 565 K CB -0.458 32.046 32.500 0.006 0.000 0.715 565 K HN 0.312 nan 8.250 nan 0.000 0.437 566 E N 1.016 121.225 120.200 0.014 0.000 2.086 566 E HA -0.206 4.144 4.350 0.001 0.000 0.200 566 E C 2.172 178.769 176.600 -0.005 0.000 1.012 566 E CA 1.306 57.714 56.400 0.013 0.000 0.812 566 E CB -0.083 29.643 29.700 0.045 0.000 0.743 566 E HN 0.284 nan 8.360 nan 0.000 0.453 567 R N 0.311 120.829 120.500 0.029 0.000 2.075 567 R HA -0.098 4.242 4.340 0.001 0.000 0.232 567 R C 2.526 178.821 176.300 -0.009 0.000 1.126 567 R CA 1.013 57.145 56.100 0.053 0.000 0.963 567 R CB -0.222 30.150 30.300 0.120 0.000 0.858 567 R HN 0.202 nan 8.270 nan 0.000 0.435 568 Q N 0.492 120.287 119.800 -0.008 0.000 2.119 568 Q HA -0.162 4.178 4.340 0.001 0.000 0.201 568 Q C 2.119 178.093 176.000 -0.043 0.000 0.972 568 Q CA 1.130 56.921 55.803 -0.021 0.000 0.847 568 Q CB 0.067 28.808 28.738 0.006 0.000 0.903 568 Q HN 0.289 nan 8.270 nan 0.000 0.433 569 M N 0.462 120.030 119.600 -0.053 0.000 2.086 569 M HA -0.183 4.297 4.480 0.001 0.000 0.261 569 M C 1.900 178.126 176.300 -0.124 0.000 1.067 569 M CA 1.469 56.726 55.300 -0.072 0.000 1.116 569 M CB -0.473 32.077 32.600 -0.084 0.000 1.348 569 M HN 0.244 nan 8.290 nan 0.000 0.407 570 I N 0.274 120.717 120.570 -0.211 0.000 2.226 570 I HA -0.342 3.828 4.170 0.001 0.000 0.245 570 I C 2.316 178.339 176.117 -0.156 0.000 1.100 570 I CA 1.301 62.404 61.300 -0.329 0.000 1.374 570 I CB -0.432 37.175 38.000 -0.656 0.000 1.057 570 I HN 0.322 nan 8.210 nan 0.000 0.413 571 K N 0.648 120.930 120.400 -0.196 0.000 2.002 571 K HA -0.251 4.069 4.320 0.001 0.000 0.209 571 K C 2.094 178.751 176.600 0.095 0.000 1.048 571 K CA 1.721 57.843 56.287 -0.275 0.000 0.930 571 K CB -0.263 31.865 32.500 -0.620 0.000 0.714 571 K HN 0.275 nan 8.250 nan 0.000 0.438 572 E N 0.999 121.233 120.200 0.057 0.000 2.147 572 E HA -0.261 4.090 4.350 0.001 0.000 0.199 572 E C 1.963 178.613 176.600 0.084 0.000 1.005 572 E CA 1.424 57.886 56.400 0.104 0.000 0.810 572 E CB 0.133 29.879 29.700 0.076 0.000 0.736 572 E HN 0.214 nan 8.360 nan 0.000 0.460 573 R N -0.983 119.543 120.500 0.044 0.000 2.093 573 R HA -0.021 4.319 4.340 0.001 0.000 0.224 573 R C 2.266 178.499 176.300 -0.112 0.000 1.101 573 R CA 1.158 57.219 56.100 -0.065 0.000 0.979 573 R CB -0.238 29.939 30.300 -0.205 0.000 0.877 573 R HN 0.207 nan 8.270 nan 0.000 0.441 574 F N 1.519 121.561 119.950 0.153 0.000 2.134 574 F HA -0.284 4.243 4.527 0.001 0.000 0.299 574 F C 2.801 178.741 175.800 0.233 0.000 1.097 574 F CA 1.590 59.775 58.000 0.308 0.000 1.264 574 F CB -0.136 39.155 39.000 0.484 0.000 1.001 574 F HN -0.061 nan 8.300 nan 0.000 0.479 575 K N -0.194 120.443 120.400 0.395 0.000 2.057 575 K HA -0.006 4.314 4.320 0.001 0.000 0.207 575 K C 2.235 178.765 176.600 -0.116 0.000 1.049 575 K CA 1.063 57.456 56.287 0.177 0.000 0.931 575 K CB -2.004 30.623 32.500 0.211 0.000 0.714 575 K HN 0.388 nan 8.250 nan 0.000 0.440 576 G N 0.008 108.531 108.800 -0.462 0.000 2.418 576 G HA2 -0.163 3.798 3.960 0.001 0.000 0.217 576 G HA3 -0.163 3.798 3.960 0.001 0.000 0.217 576 G C 1.401 175.758 174.900 -0.906 0.000 1.158 576 G CA 0.781 45.049 45.100 -1.386 0.000 0.771 576 G HN 0.483 nan 8.290 nan 0.000 0.545 577 F N 2.271 121.872 119.950 -0.581 0.000 2.084 577 F HA -0.071 4.456 4.527 0.001 0.000 0.296 577 F C 2.484 178.212 175.800 -0.120 0.000 1.111 577 F CA 1.750 59.621 58.000 -0.215 0.000 1.224 577 F CB -0.191 38.736 39.000 -0.122 0.000 0.991 577 F HN 0.037 nan 8.300 nan 0.000 0.471 578 N N 0.881 119.630 118.700 0.082 0.000 2.069 578 N HA -0.188 4.553 4.740 0.001 0.000 0.191 578 N C 1.438 176.882 175.510 -0.110 0.000 1.031 578 N CA 1.757 54.838 53.050 0.052 0.000 0.852 578 N CB -0.822 37.842 38.487 0.296 0.000 1.018 578 N HN 0.352 nan 8.380 nan 0.000 0.423 579 D N 0.147 120.477 120.400 -0.115 0.000 2.117 579 D HA -0.067 4.574 4.640 0.001 0.000 0.197 579 D C 2.003 178.186 176.300 -0.195 0.000 0.987 579 D CA 1.260 55.183 54.000 -0.129 0.000 0.829 579 D CB -0.746 39.989 40.800 -0.110 0.000 0.961 579 D HN 0.336 nan 8.370 nan 0.000 0.460 580 G N 0.824 109.477 108.800 -0.244 0.000 2.418 580 G HA2 -0.214 3.747 3.960 0.001 0.000 0.217 580 G HA3 -0.214 3.747 3.960 0.001 0.000 0.217 580 G C 1.587 176.239 174.900 -0.413 0.000 1.158 580 G CA 0.659 45.599 45.100 -0.267 0.000 0.771 580 G HN 0.249 nan 8.290 nan 0.000 0.545 581 L N 0.661 121.555 121.223 -0.547 0.000 2.046 581 L HA 0.038 4.378 4.340 0.001 0.000 0.208 581 L C 2.577 179.167 176.870 -0.467 0.000 1.077 581 L CA 2.160 56.629 54.840 -0.618 0.000 0.747 581 L CB -0.679 40.875 42.059 -0.840 0.000 0.896 581 L HN 0.365 nan 8.230 nan 0.000 0.432 582 E N -0.699 119.290 120.200 -0.352 0.000 2.072 582 E HA -0.245 4.105 4.350 0.001 0.000 0.191 582 E C 2.051 178.511 176.600 -0.234 0.000 0.985 582 E CA 1.186 57.443 56.400 -0.238 0.000 0.801 582 E CB -0.170 29.459 29.700 -0.118 0.000 0.750 582 E HN 0.631 nan 8.360 nan 0.000 0.452 583 E N 1.142 121.199 120.200 -0.239 0.000 2.031 583 E HA -0.225 4.125 4.350 0.001 0.000 0.193 583 E C 2.229 178.653 176.600 -0.293 0.000 0.994 583 E CA 0.843 57.111 56.400 -0.221 0.000 0.800 583 E CB -0.074 29.510 29.700 -0.192 0.000 0.752 583 E HN 0.233 nan 8.360 nan 0.000 0.447 584 L N 0.596 121.576 121.223 -0.405 0.000 1.994 584 L HA -0.213 4.127 4.340 0.001 0.000 0.208 584 L C 2.635 179.203 176.870 -0.504 0.000 1.071 584 L CA 1.770 56.288 54.840 -0.537 0.000 0.745 584 L CB -0.365 41.194 42.059 -0.834 0.000 0.892 584 L HN 0.332 nan 8.230 nan 0.000 0.431 585 C N -0.074 118.964 119.300 -0.436 0.000 2.411 585 C HA -0.182 4.278 4.460 0.001 0.000 0.279 585 C C 2.784 177.598 174.990 -0.294 0.000 1.288 585 C CA 1.275 60.088 59.018 -0.342 0.000 1.764 585 C CB -0.931 26.649 27.740 -0.266 0.000 1.974 585 C HN 0.532 nan 8.230 nan 0.000 0.498 586 K N 0.785 121.031 120.400 -0.256 0.000 2.001 586 K HA -0.088 4.232 4.320 0.001 0.000 0.208 586 K C 1.819 178.287 176.600 -0.220 0.000 1.048 586 K CA 1.491 57.662 56.287 -0.193 0.000 0.932 586 K CB -0.213 32.197 32.500 -0.150 0.000 0.715 586 K HN 0.442 nan 8.250 nan 0.000 0.437 587 I N 0.914 121.320 120.570 -0.273 0.000 2.252 587 I HA -0.252 3.918 4.170 0.001 0.000 0.245 587 I C 2.107 177.887 176.117 -0.563 0.000 1.102 587 I CA 1.291 62.414 61.300 -0.296 0.000 1.385 587 I CB -0.215 37.632 38.000 -0.256 0.000 1.064 587 I HN 0.290 nan 8.210 nan 0.000 0.414 588 Q N 0.464 119.783 119.800 -0.802 0.000 2.451 588 Q HA -0.110 4.230 4.340 0.001 0.000 0.206 588 Q C 1.924 177.586 176.000 -0.563 0.000 0.947 588 Q CA 0.299 55.389 55.803 -1.189 0.000 0.937 588 Q CB 0.119 28.229 28.738 -1.046 0.000 1.025 588 Q HN 0.368 nan 8.270 nan 0.000 0.511 589 K N 0.574 120.763 120.400 -0.353 0.000 2.147 589 K HA -0.122 4.198 4.320 0.001 0.000 0.205 589 K C 1.780 178.356 176.600 -0.039 0.000 1.049 589 K CA 0.769 56.941 56.287 -0.192 0.000 0.936 589 K CB 0.145 32.555 32.500 -0.149 0.000 0.722 589 K HN -0.009 nan 8.250 nan 0.000 0.446 590 V N 0.723 120.639 119.914 0.003 0.000 2.237 590 V HA -0.196 3.925 4.120 0.001 0.000 0.245 590 V C 0.668 176.949 176.094 0.312 0.000 1.046 590 V CA 1.047 63.437 62.300 0.150 0.000 1.007 590 V CB -0.608 31.334 31.823 0.198 0.000 0.638 590 V HN 0.378 nan 8.190 nan 0.000 0.445 591 W N 0.022 121.379 121.300 0.096 0.000 2.672 591 W HA 0.244 4.904 4.660 0.001 0.000 0.329 591 W C 0.392 177.012 176.519 0.168 0.000 1.085 591 W CA 0.290 57.714 57.345 0.130 0.000 1.303 591 W CB -0.779 28.809 29.460 0.215 0.000 1.150 591 W HN 0.271 nan 8.180 nan 0.000 0.561 592 A N 4.028 127.012 122.820 0.274 0.000 2.380 592 A HA 0.898 5.218 4.320 0.001 0.000 0.315 592 A C -0.965 176.649 177.584 0.050 0.000 1.101 592 A CA -0.840 51.300 52.037 0.172 0.000 0.771 592 A CB 1.204 20.272 19.000 0.115 0.000 1.287 592 A HN 0.522 nan 8.150 nan 0.000 0.436 593 I N 3.204 123.794 120.570 0.034 0.000 2.719 593 I HA 0.242 4.412 4.170 0.001 0.000 0.275 593 I C -1.627 174.509 176.117 0.032 0.000 1.228 593 I CA -1.407 59.871 61.300 -0.035 0.000 1.035 593 I CB 2.087 39.967 38.000 -0.200 0.000 1.286 593 I HN 0.583 nan 8.210 nan 0.000 0.531 594 P HA -0.224 nan 4.420 nan 0.000 0.216 594 P C 0.478 177.811 177.300 0.056 0.000 1.154 594 P CA 1.395 64.527 63.100 0.054 0.000 0.865 594 P CB 0.182 31.913 31.700 0.052 0.000 0.789 595 D N 0.898 121.332 120.400 0.057 0.000 2.398 595 D HA -0.012 4.628 4.640 0.001 0.000 0.250 595 D C 1.322 177.651 176.300 0.050 0.000 1.287 595 D CA 0.427 54.458 54.000 0.051 0.000 0.992 595 D CB 0.532 41.361 40.800 0.048 0.000 1.071 595 D HN 0.142 nan 8.370 nan 0.000 0.514 596 T N 0.272 114.854 114.554 0.047 0.000 2.685 596 T HA -0.314 4.036 4.350 0.001 0.000 0.268 596 T C 1.584 176.310 174.700 0.043 0.000 1.034 596 T CA 1.829 63.958 62.100 0.048 0.000 1.149 596 T CB -0.302 68.592 68.868 0.044 0.000 0.860 596 T HN 0.327 nan 8.240 nan 0.000 0.449 597 E N 0.896 121.119 120.200 0.037 0.000 2.118 597 E HA -0.189 4.162 4.350 0.001 0.000 0.195 597 E C 2.463 179.086 176.600 0.039 0.000 0.992 597 E CA 1.475 57.895 56.400 0.033 0.000 0.804 597 E CB -0.625 29.091 29.700 0.026 0.000 0.741 597 E HN 0.789 nan 8.360 nan 0.000 0.458 598 Q N -0.601 119.230 119.800 0.051 0.000 2.187 598 Q HA 0.079 4.420 4.340 0.001 0.000 0.199 598 Q C 2.400 178.399 176.000 -0.001 0.000 0.957 598 Q CA 1.335 57.177 55.803 0.065 0.000 0.857 598 Q CB -0.403 28.440 28.738 0.175 0.000 0.929 598 Q HN 0.428 nan 8.270 nan 0.000 0.453 599 R N 0.974 121.476 120.500 0.004 0.000 2.081 599 R HA -0.147 4.193 4.340 0.001 0.000 0.235 599 R C 1.260 177.590 176.300 0.050 0.000 1.131 599 R CA 1.609 57.704 56.100 -0.009 0.000 0.960 599 R CB 0.138 30.475 30.300 0.062 0.000 0.856 599 R HN 0.107 nan 8.270 nan 0.000 0.436 600 D N 0.299 120.730 120.400 0.052 0.000 2.117 600 D HA -0.120 4.520 4.640 0.001 0.000 0.198 600 D C 1.698 178.022 176.300 0.040 0.000 0.982 600 D CA 1.283 55.316 54.000 0.055 0.000 0.828 600 D CB -0.007 40.819 40.800 0.044 0.000 0.967 600 D HN 0.267 nan 8.370 nan 0.000 0.464 601 K N 0.230 120.645 120.400 0.025 0.000 2.057 601 K HA -0.006 4.314 4.320 0.001 0.000 0.206 601 K C 2.257 178.863 176.600 0.009 0.000 1.050 601 K CA 0.571 56.870 56.287 0.019 0.000 0.935 601 K CB 0.028 32.541 32.500 0.021 0.000 0.715 601 K HN 0.134 nan 8.250 nan 0.000 0.439 602 I N 0.564 121.120 120.570 -0.023 0.000 2.252 602 I HA -0.262 3.908 4.170 0.001 0.000 0.245 602 I C 2.358 178.515 176.117 0.067 0.000 1.102 602 I CA 1.178 62.453 61.300 -0.042 0.000 1.385 602 I CB -0.140 37.709 38.000 -0.251 0.000 1.064 602 I HN 0.113 nan 8.210 nan 0.000 0.414 603 R N 0.069 120.643 120.500 0.123 0.000 2.073 603 R HA -0.177 4.164 4.340 0.001 0.000 0.234 603 R C 2.439 178.765 176.300 0.045 0.000 1.134 603 R CA 1.162 57.349 56.100 0.146 0.000 0.952 603 R CB -0.264 30.123 30.300 0.145 0.000 0.850 603 R HN 0.299 nan 8.270 nan 0.000 0.433 604 Q N 0.315 120.135 119.800 0.033 0.000 2.002 604 Q HA -0.159 4.181 4.340 0.001 0.000 0.204 604 Q C 2.186 178.181 176.000 -0.008 0.000 0.988 604 Q CA 2.164 57.973 55.803 0.011 0.000 0.843 604 Q CB -0.538 28.210 28.738 0.016 0.000 0.908 604 Q HN 0.363 nan 8.270 nan 0.000 0.420 605 A N 0.455 123.275 122.820 -0.000 0.000 1.892 605 A HA -0.278 4.043 4.320 0.001 0.000 0.218 605 A C 2.093 179.645 177.584 -0.053 0.000 1.188 605 A CA 2.134 54.166 52.037 -0.009 0.000 0.631 605 A CB -0.643 18.365 19.000 0.013 0.000 0.822 605 A HN 0.362 nan 8.150 nan 0.000 0.447 606 Q N -0.312 119.440 119.800 -0.079 0.000 2.167 606 Q HA -0.079 4.261 4.340 0.001 0.000 0.202 606 Q C 2.014 177.836 176.000 -0.297 0.000 0.970 606 Q CA 1.868 57.517 55.803 -0.256 0.000 0.855 606 Q CB -0.208 28.336 28.738 -0.323 0.000 0.911 606 Q HN 0.692 nan 8.270 nan 0.000 0.438 607 K N -0.082 120.218 120.400 -0.167 0.000 2.025 607 K HA -0.128 4.193 4.320 0.001 0.000 0.207 607 K C 1.565 178.120 176.600 -0.074 0.000 1.049 607 K CA 1.346 57.560 56.287 -0.121 0.000 0.933 607 K CB -0.047 32.421 32.500 -0.054 0.000 0.714 607 K HN 0.261 nan 8.250 nan 0.000 0.438 608 D N 1.050 121.420 120.400 -0.051 0.000 2.116 608 D HA -0.179 4.461 4.640 0.001 0.000 0.193 608 D C 1.920 178.205 176.300 -0.025 0.000 0.998 608 D CA 1.142 55.129 54.000 -0.023 0.000 0.836 608 D CB -0.257 40.535 40.800 -0.013 0.000 0.951 608 D HN 0.205 nan 8.370 nan 0.000 0.449 609 I N 0.387 120.923 120.570 -0.058 0.000 2.113 609 I HA -0.225 3.946 4.170 0.001 0.000 0.238 609 I C 2.467 178.565 176.117 -0.032 0.000 1.070 609 I CA 0.776 62.046 61.300 -0.049 0.000 1.332 609 I CB -0.290 37.658 38.000 -0.086 0.000 1.044 609 I HN -0.106 nan 8.210 nan 0.000 0.402 610 V N 0.698 120.552 119.914 -0.101 0.000 2.427 610 V HA -0.233 3.887 4.120 0.001 0.000 0.248 610 V C 2.413 178.573 176.094 0.110 0.000 1.051 610 V CA 1.635 63.929 62.300 -0.011 0.000 1.048 610 V CB -0.677 31.036 31.823 -0.182 0.000 0.666 610 V HN 0.349 nan 8.190 nan 0.000 0.456 611 K N -0.007 120.434 120.400 0.068 0.000 2.026 611 K HA -0.243 4.077 4.320 0.001 0.000 0.208 611 K C 2.265 178.945 176.600 0.133 0.000 1.048 611 K CA 1.924 58.289 56.287 0.131 0.000 0.929 611 K CB -0.181 32.366 32.500 0.079 0.000 0.713 611 K HN 0.581 nan 8.250 nan 0.000 0.439 612 E N 0.158 120.406 120.200 0.080 0.000 2.023 612 E HA -0.205 4.146 4.350 0.001 0.000 0.196 612 E C 1.729 178.380 176.600 0.085 0.000 1.003 612 E CA 2.038 58.478 56.400 0.066 0.000 0.809 612 E CB 0.012 29.738 29.700 0.043 0.000 0.755 612 E HN 0.180 nan 8.360 nan 0.000 0.449 613 T N -0.049 114.565 114.554 0.100 0.000 2.652 613 T HA -0.211 4.139 4.350 0.001 0.000 0.267 613 T C 1.549 176.329 174.700 0.134 0.000 1.039 613 T CA 1.533 63.699 62.100 0.110 0.000 1.153 613 T CB -0.641 68.294 68.868 0.111 0.000 0.863 613 T HN 0.332 nan 8.240 nan 0.000 0.428 614 Y N 2.032 122.334 120.300 0.003 0.000 2.224 614 Y HA -0.030 4.521 4.550 0.001 0.000 0.289 614 Y C 2.463 178.401 175.900 0.065 0.000 1.146 614 Y CA 1.028 59.080 58.100 -0.081 0.000 1.182 614 Y CB -0.947 37.445 38.460 -0.114 0.000 0.983 614 Y HN 0.174 nan 8.280 nan 0.000 0.524 615 G N -0.164 108.649 108.800 0.021 0.000 2.459 615 G HA2 -0.299 3.661 3.960 0.001 0.000 0.217 615 G HA3 -0.299 3.661 3.960 0.001 0.000 0.217 615 G C 1.903 176.785 174.900 -0.030 0.000 1.183 615 G CA 1.349 46.424 45.100 -0.041 0.000 0.776 615 G HN 0.605 nan 8.290 nan 0.000 0.552 616 A N 0.436 123.275 122.820 0.031 0.000 1.892 616 A HA -0.045 4.275 4.320 0.001 0.000 0.218 616 A C 2.229 179.852 177.584 0.066 0.000 1.188 616 A CA 1.870 53.946 52.037 0.065 0.000 0.631 616 A CB -0.707 18.343 19.000 0.083 0.000 0.822 616 A HN 0.442 nan 8.150 nan 0.000 0.447 617 F N 0.135 120.036 119.950 -0.080 0.000 2.095 617 F HA -0.171 4.357 4.527 0.001 0.000 0.298 617 F C 1.902 177.637 175.800 -0.109 0.000 1.104 617 F CA 1.900 59.848 58.000 -0.086 0.000 1.232 617 F CB -0.376 38.476 39.000 -0.247 0.000 0.987 617 F HN 0.215 nan 8.300 nan 0.000 0.475 618 L N 0.143 121.210 121.223 -0.260 0.000 2.046 618 L HA -0.223 4.117 4.340 0.001 0.000 0.208 618 L C 2.691 179.499 176.870 -0.103 0.000 1.077 618 L CA 2.330 57.045 54.840 -0.208 0.000 0.747 618 L CB -1.360 40.492 42.059 -0.345 0.000 0.896 618 L HN 0.400 nan 8.230 nan 0.000 0.432 619 H N -0.919 118.054 119.070 -0.161 0.000 2.293 619 H HA -0.196 4.360 4.556 0.001 0.000 0.300 619 H C 2.365 177.579 175.328 -0.190 0.000 1.082 619 H CA 1.942 57.913 56.048 -0.128 0.000 1.308 619 H CB 0.240 29.941 29.762 -0.102 0.000 1.375 619 H HN 0.252 nan 8.280 nan 0.000 0.495 620 R N -0.307 119.928 120.500 -0.440 0.000 2.092 620 R HA -0.119 4.221 4.340 0.001 0.000 0.231 620 R C 1.563 177.328 176.300 -0.891 0.000 1.119 620 R CA 1.919 57.592 56.100 -0.712 0.000 0.970 620 R CB -1.006 28.880 30.300 -0.690 0.000 0.864 620 R HN 0.605 nan 8.270 nan 0.000 0.440 621 Y N -1.805 118.213 120.300 -0.471 0.000 2.430 621 Y HA 0.453 5.003 4.550 0.001 0.000 0.248 621 Y C 2.442 178.278 175.900 -0.106 0.000 1.108 621 Y CA 0.161 58.008 58.100 -0.422 0.000 1.264 621 Y CB 0.111 38.090 38.460 -0.800 0.000 1.172 621 Y HN 0.356 nan 8.280 nan 0.000 0.520 622 G N 0.086 108.949 108.800 0.105 0.000 2.408 622 G HA2 -0.212 3.748 3.960 0.001 0.000 0.215 622 G HA3 -0.212 3.748 3.960 0.001 0.000 0.215 622 G C 1.801 176.819 174.900 0.197 0.000 1.156 622 G CA 1.080 46.368 45.100 0.314 0.000 0.793 622 G HN 0.411 nan 8.290 nan 0.000 0.535 623 S N 0.810 116.526 115.700 0.026 0.000 2.353 623 S HA -0.097 4.374 4.470 0.001 0.000 0.222 623 S C 1.617 176.231 174.600 0.023 0.000 1.035 623 S CA 0.910 59.099 58.200 -0.018 0.000 1.025 623 S CB -1.464 61.657 63.200 -0.133 0.000 0.902 623 S HN 0.957 nan 8.310 nan 0.000 0.440 624 V N 0.696 120.633 119.914 0.038 0.000 3.061 624 V HA 0.339 4.459 4.120 0.001 0.000 0.306 624 V C -2.872 173.326 176.094 0.174 0.000 1.118 624 V CA -1.624 60.726 62.300 0.085 0.000 1.231 624 V CB -0.579 31.290 31.823 0.077 0.000 0.956 624 V HN 0.179 nan 8.190 nan 0.000 0.499 625 P HA 0.383 nan 4.420 nan 0.000 0.288 625 P C -0.485 176.873 177.300 0.096 0.000 1.363 625 P CA -0.108 63.002 63.100 0.016 0.000 0.837 625 P CB 0.114 31.808 31.700 -0.010 0.000 0.981 626 F N 0.584 120.533 119.950 -0.002 0.000 2.746 626 F HA 0.516 5.044 4.527 0.001 0.000 0.320 626 F C 0.062 175.845 175.800 -0.027 0.000 1.097 626 F CA -0.471 57.524 58.000 -0.009 0.000 1.195 626 F CB 0.305 39.307 39.000 0.004 0.000 1.056 626 F HN 0.181 nan 8.300 nan 0.000 0.562 627 T N -0.478 113.858 114.554 -0.363 0.000 2.827 627 T HA 0.223 4.574 4.350 0.001 0.000 0.328 627 T C -0.554 174.039 174.700 -0.177 0.000 1.598 627 T CA -0.488 61.486 62.100 -0.210 0.000 1.043 627 T CB 1.757 70.517 68.868 -0.180 0.000 1.447 627 T HN -0.122 nan 8.240 nan 0.000 0.491 628 K N 2.430 122.787 120.400 -0.072 0.000 2.520 628 K HA 0.337 4.658 4.320 0.001 0.000 0.205 628 K C -0.071 176.504 176.600 -0.041 0.000 1.035 628 K CA -0.070 56.184 56.287 -0.056 0.000 1.188 628 K CB -0.658 31.827 32.500 -0.026 0.000 0.894 628 K HN 0.557 nan 8.250 nan 0.000 0.497 629 N N -0.184 118.493 118.700 -0.038 0.000 2.700 629 N HA 0.217 4.957 4.740 0.001 0.000 0.242 629 N C -2.620 172.882 175.510 -0.013 0.000 1.541 629 N CA -1.020 52.023 53.050 -0.010 0.000 0.764 629 N CB 1.558 40.071 38.487 0.045 0.000 1.319 629 N HN -0.021 nan 8.380 nan 0.000 0.518 630 P HA -0.154 nan 4.420 nan 0.000 0.214 630 P C 0.749 177.998 177.300 -0.085 0.000 1.163 630 P CA 1.321 64.334 63.100 -0.144 0.000 0.883 630 P CB 0.370 31.965 31.700 -0.174 0.000 0.788 631 E N -0.362 119.786 120.200 -0.087 0.000 2.273 631 E HA -0.210 4.140 4.350 0.001 0.000 0.198 631 E C 1.918 178.444 176.600 -0.123 0.000 1.002 631 E CA 0.970 57.312 56.400 -0.097 0.000 0.828 631 E CB -0.465 29.182 29.700 -0.088 0.000 0.747 631 E HN 0.287 nan 8.360 nan 0.000 0.491 632 K N -0.605 119.716 120.400 -0.132 0.000 2.217 632 K HA -0.102 4.219 4.320 0.001 0.000 0.202 632 K C 0.953 177.280 176.600 -0.456 0.000 1.051 632 K CA 1.070 57.190 56.287 -0.278 0.000 0.952 632 K CB 0.168 32.492 32.500 -0.293 0.000 0.736 632 K HN 0.204 nan 8.250 nan 0.000 0.453 633 Y N -0.347 119.935 120.300 -0.030 0.000 2.609 633 Y HA 0.268 4.819 4.550 0.001 0.000 0.281 633 Y C 0.527 176.308 175.900 -0.198 0.000 1.132 633 Y CA -0.365 57.736 58.100 0.001 0.000 1.264 633 Y CB 0.820 39.372 38.460 0.153 0.000 1.325 633 Y HN -0.188 nan 8.280 nan 0.000 0.514 634 I N 2.057 122.517 120.570 -0.183 0.000 2.281 634 I HA 0.122 4.292 4.170 0.001 0.000 0.293 634 I C 0.299 176.374 176.117 -0.071 0.000 1.085 634 I CA 0.253 61.412 61.300 -0.234 0.000 1.257 634 I CB 0.980 38.841 38.000 -0.232 0.000 1.430 634 I HN 0.210 nan 8.210 nan 0.000 0.489 635 K N 4.511 124.899 120.400 -0.021 0.000 2.399 635 K HA 0.192 4.513 4.320 0.001 0.000 0.196 635 K C -0.648 175.663 176.600 -0.481 0.000 1.103 635 K CA 0.341 56.450 56.287 -0.297 0.000 0.986 635 K CB 0.656 32.871 32.500 -0.475 0.000 0.952 635 K HN 0.340 nan 8.250 nan 0.000 0.541 636 Y N 0.956 121.402 120.300 0.243 0.000 2.425 636 Y HA 0.373 4.923 4.550 0.001 0.000 0.344 636 Y C -0.043 176.083 175.900 0.376 0.000 0.969 636 Y CA -1.180 57.070 58.100 0.249 0.000 1.052 636 Y CB 1.357 39.932 38.460 0.191 0.000 1.215 636 Y HN -0.282 nan 8.280 nan 0.000 0.451 637 R N 1.142 121.892 120.500 0.416 0.000 2.500 637 R HA 0.295 4.635 4.340 0.001 0.000 0.275 637 R C 0.802 177.368 176.300 0.443 0.000 1.051 637 R CA -0.467 55.850 56.100 0.361 0.000 1.088 637 R CB 1.236 31.665 30.300 0.215 0.000 1.063 637 R HN 0.622 nan 8.270 nan 0.000 0.511 638 V N 1.947 122.117 119.914 0.426 0.000 2.278 638 V HA -0.306 3.814 4.120 0.001 0.000 0.251 638 V C 2.105 178.360 176.094 0.268 0.000 1.062 638 V CA 1.837 64.387 62.300 0.418 0.000 1.038 638 V CB -0.402 31.576 31.823 0.259 0.000 0.646 638 V HN 0.708 nan 8.190 nan 0.000 0.447 639 E N -0.100 120.217 120.200 0.195 0.000 2.077 639 E HA -0.237 4.114 4.350 0.001 0.000 0.193 639 E C 2.325 179.008 176.600 0.137 0.000 0.989 639 E CA 1.400 57.883 56.400 0.137 0.000 0.800 639 E CB -0.379 29.385 29.700 0.108 0.000 0.746 639 E HN 0.723 nan 8.360 nan 0.000 0.452 640 Q N 0.305 120.212 119.800 0.179 0.000 2.135 640 Q HA -0.119 4.221 4.340 0.001 0.000 0.204 640 Q C 2.382 178.462 176.000 0.134 0.000 0.981 640 Q CA 1.336 57.249 55.803 0.183 0.000 0.856 640 Q CB -0.159 28.747 28.738 0.280 0.000 0.902 640 Q HN 0.129 nan 8.270 nan 0.000 0.425 641 V N 0.636 120.630 119.914 0.132 0.000 2.295 641 V HA -0.203 3.917 4.120 0.001 0.000 0.246 641 V C 2.305 178.407 176.094 0.013 0.000 1.049 641 V CA 2.010 64.317 62.300 0.012 0.000 1.024 641 V CB -1.198 30.652 31.823 0.045 0.000 0.648 641 V HN 0.528 nan 8.190 nan 0.000 0.447 642 G N -0.362 108.469 108.800 0.052 0.000 2.450 642 G HA2 -0.244 3.716 3.960 0.001 0.000 0.220 642 G HA3 -0.244 3.716 3.960 0.001 0.000 0.220 642 G C 1.214 176.121 174.900 0.012 0.000 1.130 642 G CA 1.027 46.140 45.100 0.023 0.000 0.760 642 G HN 0.520 nan 8.290 nan 0.000 0.557 643 D N 0.514 120.930 120.400 0.027 0.000 2.123 643 D HA -0.044 4.597 4.640 0.001 0.000 0.200 643 D C 2.627 178.922 176.300 -0.009 0.000 0.976 643 D CA 0.692 54.703 54.000 0.018 0.000 0.831 643 D CB -0.276 40.547 40.800 0.038 0.000 0.974 643 D HN 0.323 nan 8.370 nan 0.000 0.469 644 M N 0.133 119.720 119.600 -0.022 0.000 2.213 644 M HA -0.091 4.390 4.480 0.001 0.000 0.263 644 M C 2.249 178.511 176.300 -0.062 0.000 1.062 644 M CA 1.012 56.277 55.300 -0.059 0.000 1.105 644 M CB -0.090 32.441 32.600 -0.115 0.000 1.385 644 M HN -0.016 nan 8.290 nan 0.000 0.417 645 I N 0.075 120.624 120.570 -0.035 0.000 2.202 645 I HA -0.275 3.895 4.170 0.001 0.000 0.242 645 I C 1.797 177.866 176.117 -0.081 0.000 1.091 645 I CA 1.133 62.411 61.300 -0.036 0.000 1.368 645 I CB -0.531 37.428 38.000 -0.069 0.000 1.058 645 I HN 0.257 nan 8.210 nan 0.000 0.410 646 D N 0.515 120.888 120.400 -0.046 0.000 2.263 646 D HA -0.109 4.532 4.640 0.001 0.000 0.208 646 D C 2.225 178.494 176.300 -0.051 0.000 0.971 646 D CA 0.690 54.674 54.000 -0.027 0.000 0.867 646 D CB -0.081 40.718 40.800 -0.001 0.000 0.929 646 D HN 0.123 nan 8.370 nan 0.000 0.492 647 R N -0.297 120.156 120.500 -0.079 0.000 2.313 647 R HA 0.169 4.509 4.340 0.001 0.000 0.199 647 R C 1.109 177.311 176.300 -0.163 0.000 0.958 647 R CA -0.093 55.956 56.100 -0.085 0.000 1.047 647 R CB -0.823 29.436 30.300 -0.068 0.000 0.955 647 R HN 0.250 nan 8.270 nan 0.000 0.481 648 L N 0.737 121.773 121.223 -0.312 0.000 2.395 648 L HA 0.373 4.714 4.340 0.001 0.000 0.269 648 L C 0.296 176.792 176.870 -0.623 0.000 1.133 648 L CA -0.166 54.274 54.840 -0.667 0.000 0.812 648 L CB 0.099 41.460 42.059 -1.163 0.000 1.125 648 L HN 0.317 nan 8.230 nan 0.000 0.452 649 F N -0.053 119.919 119.950 0.037 0.000 3.056 649 F HA -0.210 4.318 4.527 0.001 0.000 0.301 649 F C 0.211 176.038 175.800 0.046 0.000 0.907 649 F CA 0.546 58.581 58.000 0.060 0.000 1.113 649 F CB -2.402 36.623 39.000 0.043 0.000 1.123 649 F HN 0.736 nan 8.300 nan 0.000 0.661 650 D N 0.129 120.607 120.400 0.130 0.000 2.351 650 D HA 0.593 5.233 4.640 0.001 0.000 0.235 650 D C 0.200 176.535 176.300 0.059 0.000 1.331 650 D CA -0.079 53.976 54.000 0.092 0.000 0.959 650 D CB 0.703 41.541 40.800 0.064 0.000 1.432 650 D HN 0.687 nan 8.370 nan 0.000 0.544 651 T N 1.202 115.799 114.554 0.071 0.000 2.669 651 T HA 0.592 4.942 4.350 0.001 0.000 0.245 651 T C 1.305 176.026 174.700 0.035 0.000 1.053 651 T CA 1.799 63.930 62.100 0.053 0.000 1.387 651 T CB -1.634 67.270 68.868 0.060 0.000 1.045 651 T HN 2.356 nan 8.240 nan 0.000 0.531 652 S N 0.000 115.713 115.700 0.021 0.000 2.498 652 S HA 0.000 4.470 4.470 0.001 0.000 0.327 652 S CA 0.000 58.209 58.200 0.015 0.000 1.107 652 S CB 0.000 63.210 63.200 0.017 0.000 0.593 652 S HN 0.000 nan 8.310 nan 0.000 0.517