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 3nod_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSXXXXXX XSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ 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 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.173 176.000 0.289 0.000 1.003 77 Q CA 0.000 55.840 55.803 0.061 0.000 1.022 77 Q CB 0.000 28.637 28.738 -0.169 0.000 1.108 78 Y N -1.666 118.773 120.300 0.231 0.000 2.853 78 Y HA 0.817 5.368 4.550 0.000 0.000 0.326 78 Y C -1.406 174.610 175.900 0.195 0.000 1.384 78 Y CA -1.410 56.849 58.100 0.264 0.000 1.077 78 Y CB 0.596 39.160 38.460 0.173 0.000 1.395 78 Y HN 0.104 nan 8.280 nan 0.000 0.451 79 V N 2.005 122.266 119.914 0.577 0.000 2.588 79 V HA 0.543 4.663 4.120 0.000 0.000 0.304 79 V C -0.435 175.809 176.094 0.250 0.000 1.042 79 V CA -0.961 61.493 62.300 0.258 0.000 0.877 79 V CB 1.682 33.413 31.823 -0.152 0.000 0.996 79 V HN 0.763 nan 8.190 nan 0.000 0.425 80 R N 3.969 124.620 120.500 0.251 0.000 2.265 80 R HA 0.634 4.974 4.340 0.000 0.000 0.314 80 R C -1.132 175.167 176.300 -0.001 0.000 1.053 80 R CA -0.201 55.985 56.100 0.143 0.000 0.931 80 R CB 0.586 31.013 30.300 0.212 0.000 1.024 80 R HN 0.671 nan 8.270 nan 0.000 0.457 81 I N 4.162 124.671 120.570 -0.102 0.000 2.466 81 I HA 0.293 4.463 4.170 0.000 0.000 0.289 81 I C -0.473 175.535 176.117 -0.182 0.000 1.026 81 I CA -0.726 60.511 61.300 -0.105 0.000 1.078 81 I CB 2.061 40.007 38.000 -0.090 0.000 1.249 81 I HN 0.492 nan 8.210 nan 0.000 0.429 82 K N 5.989 126.263 120.400 -0.210 0.000 2.259 82 K HA 0.360 4.680 4.320 0.000 0.000 0.249 82 K C -0.891 175.469 176.600 -0.399 0.000 0.942 82 K CA -0.678 55.373 56.287 -0.393 0.000 0.816 82 K CB 1.767 33.861 32.500 -0.676 0.000 1.155 82 K HN 0.576 nan 8.250 nan 0.000 0.428 83 N N 3.760 122.239 118.700 -0.368 0.000 2.469 83 N HA 0.094 4.834 4.740 0.000 0.000 0.253 83 N C -0.231 175.128 175.510 -0.251 0.000 0.970 83 N CA -0.388 52.542 53.050 -0.200 0.000 0.940 83 N CB 0.500 38.926 38.487 -0.101 0.000 1.128 83 N HN 0.634 nan 8.380 nan 0.000 0.503 84 W N 2.536 123.844 121.300 0.014 0.000 2.848 84 W HA 0.159 4.819 4.660 0.000 0.000 0.241 84 W C 1.919 178.449 176.519 0.019 0.000 1.289 84 W CA 0.011 57.369 57.345 0.023 0.000 1.396 84 W CB 0.290 29.768 29.460 0.031 0.000 1.138 84 W HN 0.660 nan 8.180 nan 0.000 0.677 85 G N -1.531 107.355 108.800 0.142 0.000 2.673 85 G HA2 -0.057 3.903 3.960 0.000 0.000 0.208 85 G HA3 -0.057 3.903 3.960 0.000 0.000 0.208 85 G C 1.477 176.406 174.900 0.049 0.000 1.128 85 G CA 0.646 45.805 45.100 0.098 0.000 0.805 85 G HN 0.152 nan 8.290 nan 0.000 0.526 86 S N -0.480 115.224 115.700 0.007 0.000 2.475 86 S HA 0.337 4.807 4.470 0.000 0.000 0.224 86 S C 1.882 176.458 174.600 -0.040 0.000 1.042 86 S CA 0.878 59.069 58.200 -0.015 0.000 0.935 86 S CB 0.452 63.633 63.200 -0.032 0.000 0.801 86 S HN 1.172 nan 8.310 nan 0.000 0.509 87 G N 1.941 110.687 108.800 -0.090 0.000 2.176 87 G HA2 -0.280 3.680 3.960 0.000 0.000 0.253 87 G HA3 -0.280 3.680 3.960 0.000 0.000 0.253 87 G C -0.094 174.710 174.900 -0.161 0.000 0.979 87 G CA 0.269 45.286 45.100 -0.139 0.000 0.641 87 G HN 0.522 nan 8.290 nan 0.000 0.530 88 E N 0.473 120.590 120.200 -0.139 0.000 2.376 88 E HA 0.405 4.755 4.350 0.000 0.000 0.266 88 E C 0.505 176.986 176.600 -0.198 0.000 1.009 88 E CA -0.215 56.102 56.400 -0.137 0.000 0.902 88 E CB 0.180 29.818 29.700 -0.103 0.000 0.972 88 E HN 0.466 nan 8.360 nan 0.000 0.439 89 I N 5.106 125.550 120.570 -0.211 0.000 2.441 89 I HA 0.367 4.537 4.170 0.000 0.000 0.295 89 I C -0.348 175.530 176.117 -0.398 0.000 0.994 89 I CA -0.816 60.310 61.300 -0.289 0.000 1.144 89 I CB 1.179 39.024 38.000 -0.258 0.000 1.314 89 I HN 0.332 nan 8.210 nan 0.000 0.445 90 L N 4.977 125.932 121.223 -0.448 0.000 2.370 90 L HA 0.507 4.848 4.340 0.000 0.000 0.266 90 L C -1.137 175.370 176.870 -0.606 0.000 1.002 90 L CA -0.787 53.764 54.840 -0.480 0.000 0.818 90 L CB 2.196 44.110 42.059 -0.241 0.000 1.325 90 L HN 0.591 nan 8.230 nan 0.000 0.418 91 H N 0.379 119.287 119.070 -0.270 0.000 2.595 91 H HA 0.205 4.761 4.556 0.000 0.000 0.313 91 H C -0.930 174.266 175.328 -0.220 0.000 1.023 91 H CA -0.691 55.088 56.048 -0.448 0.000 1.218 91 H CB 1.434 30.607 29.762 -0.982 0.000 1.403 91 H HN 0.368 nan 8.280 nan 0.000 0.477 92 D N 2.410 122.817 120.400 0.012 0.000 2.343 92 D HA 0.034 4.674 4.640 0.000 0.000 0.255 92 D C 0.328 176.785 176.300 0.262 0.000 1.187 92 D CA 0.223 54.290 54.000 0.112 0.000 0.875 92 D CB 1.276 42.124 40.800 0.080 0.000 1.136 92 D HN 0.611 nan 8.370 nan 0.000 0.469 93 T N 3.478 118.123 114.554 0.151 0.000 3.038 93 T HA -0.020 4.330 4.350 0.000 0.000 0.244 93 T C 1.913 176.571 174.700 -0.071 0.000 1.016 93 T CA -0.221 61.929 62.100 0.084 0.000 1.098 93 T CB 0.141 69.077 68.868 0.113 0.000 0.954 93 T HN 0.265 nan 8.240 nan 0.000 0.469 94 L N 2.167 123.396 121.223 0.010 0.000 2.187 94 L HA -0.165 4.175 4.340 0.000 0.000 0.213 94 L C 2.384 179.221 176.870 -0.055 0.000 1.100 94 L CA 1.748 56.585 54.840 -0.005 0.000 0.765 94 L CB -0.443 41.636 42.059 0.032 0.000 0.904 94 L HN 0.553 nan 8.230 nan 0.000 0.437 95 H N -3.825 115.177 119.070 -0.114 0.000 2.541 95 H HA -0.187 4.369 4.556 0.000 0.000 0.289 95 H C 1.784 177.055 175.328 -0.095 0.000 1.054 95 H CA 1.731 57.710 56.048 -0.116 0.000 1.250 95 H CB -0.728 28.953 29.762 -0.136 0.000 1.369 95 H HN 0.524 nan 8.280 nan 0.000 0.578 96 H N 1.275 120.126 119.070 -0.365 0.000 2.357 96 H HA 0.029 4.585 4.556 0.000 0.000 0.301 96 H C 1.234 176.513 175.328 -0.081 0.000 1.082 96 H CA 0.948 56.861 56.048 -0.225 0.000 1.342 96 H CB 0.254 29.878 29.762 -0.230 0.000 1.389 96 H HN 0.262 nan 8.280 nan 0.000 0.511 97 K N 1.493 121.926 120.400 0.055 0.000 2.699 97 K HA 0.152 4.472 4.320 0.000 0.000 0.205 97 K C 0.409 177.030 176.600 0.035 0.000 1.008 97 K CA 0.066 56.377 56.287 0.040 0.000 1.100 97 K CB -0.167 32.351 32.500 0.030 0.000 0.878 97 K HN 0.195 nan 8.250 nan 0.000 0.496 98 A N 1.269 124.114 122.820 0.043 0.000 2.366 98 A HA 0.170 4.490 4.320 0.000 0.000 0.249 98 A C 0.446 178.051 177.584 0.036 0.000 1.084 98 A CA -0.161 51.902 52.037 0.044 0.000 0.794 98 A CB 0.210 19.247 19.000 0.060 0.000 1.034 98 A HN 0.229 nan 8.150 nan 0.000 0.491 99 T N 1.768 116.340 114.554 0.029 0.000 2.795 99 T HA 0.262 4.612 4.350 0.000 0.000 0.314 99 T C 1.124 175.837 174.700 0.023 0.000 1.069 99 T CA 0.272 62.385 62.100 0.022 0.000 1.071 99 T CB 0.220 69.099 68.868 0.018 0.000 0.988 99 T HN 0.744 nan 8.240 nan 0.000 0.543 109 C N 5.272 124.572 119.300 0.002 0.000 2.601 109 C HA 0.128 4.588 4.460 0.000 0.000 0.405 109 C C 2.002 176.993 174.990 0.002 0.000 1.441 109 C CA -0.261 58.759 59.018 0.004 0.000 1.555 109 C CB -0.993 26.750 27.740 0.005 0.000 2.450 109 C HN 0.830 nan 8.230 nan 0.000 0.614 110 L N 4.887 126.112 121.223 0.003 0.000 2.376 110 L HA 0.017 4.357 4.340 0.000 0.000 0.219 110 L C 2.515 179.402 176.870 0.028 0.000 1.133 110 L CA 1.762 56.605 54.840 0.005 0.000 0.816 110 L CB -1.776 40.285 42.059 0.003 0.000 0.933 110 L HN 1.088 nan 8.230 nan 0.000 0.449 111 G N -0.048 108.773 108.800 0.035 0.000 2.873 111 G HA2 -0.474 3.487 3.960 0.000 0.000 0.233 111 G HA3 -0.474 3.487 3.960 0.000 0.000 0.233 111 G C 1.745 176.700 174.900 0.092 0.000 1.124 111 G CA 1.578 46.713 45.100 0.058 0.000 0.747 111 G HN 0.444 nan 8.290 nan 0.000 0.644 112 S N -0.233 115.522 115.700 0.092 0.000 2.555 112 S HA 0.135 4.605 4.470 0.000 0.000 0.230 112 S C 1.067 175.758 174.600 0.151 0.000 0.978 112 S CA -0.341 57.936 58.200 0.128 0.000 0.934 112 S CB -0.312 62.950 63.200 0.104 0.000 0.766 112 S HN 0.195 nan 8.310 nan 0.000 0.533 113 I N 2.181 122.821 120.570 0.116 0.000 2.529 113 I HA 0.100 4.270 4.170 0.000 0.000 0.284 113 I C 1.291 177.487 176.117 0.131 0.000 1.082 113 I CA 0.316 61.693 61.300 0.128 0.000 1.406 113 I CB 0.750 38.792 38.000 0.069 0.000 1.405 113 I HN 0.371 nan 8.210 nan 0.000 0.548 114 M N 4.741 124.458 119.600 0.194 0.000 2.216 114 M HA 0.024 4.505 4.480 0.000 0.000 0.264 114 M C 0.391 176.624 176.300 -0.111 0.000 1.080 114 M CA 1.309 56.670 55.300 0.102 0.000 1.153 114 M CB 0.239 32.870 32.600 0.051 0.000 1.356 114 M HN 0.497 nan 8.290 nan 0.000 0.432 115 N N 1.411 120.082 118.700 -0.048 0.000 3.040 115 N HA 0.310 5.050 4.740 0.000 0.000 0.305 115 N C -2.476 172.957 175.510 -0.129 0.000 1.611 115 N CA -0.918 51.998 53.050 -0.224 0.000 1.049 115 N CB 0.158 38.605 38.487 -0.067 0.000 1.342 115 N HN 0.296 nan 8.380 nan 0.000 0.497 116 P HA 0.159 nan 4.420 nan 0.000 0.275 116 P C 0.529 177.803 177.300 -0.043 0.000 1.228 116 P CA -0.237 62.831 63.100 -0.053 0.000 0.786 116 P CB 1.855 33.531 31.700 -0.039 0.000 0.927 117 K N 0.717 121.111 120.400 -0.009 0.000 2.280 117 K HA -0.085 4.236 4.320 0.000 0.000 0.202 117 K C 1.899 178.518 176.600 0.032 0.000 1.047 117 K CA 1.686 57.978 56.287 0.008 0.000 0.942 117 K CB -0.302 32.201 32.500 0.006 0.000 0.739 117 K HN 0.540 nan 8.250 nan 0.000 0.457 118 S N 0.283 115.998 115.700 0.026 0.000 2.507 118 S HA -0.047 4.423 4.470 0.000 0.000 0.235 118 S C 1.304 175.963 174.600 0.099 0.000 0.988 118 S CA 0.674 58.901 58.200 0.044 0.000 0.944 118 S CB 0.070 63.280 63.200 0.016 0.000 0.762 118 S HN 0.089 nan 8.310 nan 0.000 0.526 119 L N 1.091 122.382 121.223 0.113 0.000 3.069 119 L HA 0.439 4.779 4.340 0.000 0.000 0.271 119 L C -0.075 177.036 176.870 0.401 0.000 1.201 119 L CA 0.430 55.404 54.840 0.223 0.000 1.015 119 L CB 0.607 42.710 42.059 0.073 0.000 1.371 119 L HN 0.156 nan 8.230 nan 0.000 0.574 120 T N -0.548 114.180 114.554 0.289 0.000 2.885 120 T HA 0.567 4.917 4.350 0.000 0.000 0.285 120 T C -0.460 174.322 174.700 0.137 0.000 1.019 120 T CA -0.505 61.745 62.100 0.249 0.000 1.010 120 T CB 2.418 71.346 68.868 0.101 0.000 1.022 120 T HN -0.168 nan 8.240 nan 0.000 0.466 121 R N 1.525 122.072 120.500 0.079 0.000 2.407 121 R HA 0.556 4.896 4.340 0.000 0.000 0.298 121 R C 0.393 176.675 176.300 -0.029 0.000 1.166 121 R CA -0.422 55.616 56.100 -0.103 0.000 1.006 121 R CB 0.196 30.317 30.300 -0.298 0.000 1.145 121 R HN 0.853 nan 8.270 nan 0.000 0.538 122 G N 3.087 111.867 108.800 -0.034 0.000 2.611 122 G HA2 0.288 4.248 3.960 0.000 0.000 0.273 122 G HA3 0.288 4.248 3.960 0.000 0.000 0.273 122 G C -1.871 173.013 174.900 -0.026 0.000 1.305 122 G CA -0.908 44.176 45.100 -0.027 0.000 1.010 122 G HN 0.452 nan 8.290 nan 0.000 0.509 123 P HA 0.261 nan 4.420 nan 0.000 0.273 123 P C 0.016 177.306 177.300 -0.017 0.000 1.258 123 P CA 0.071 63.163 63.100 -0.014 0.000 0.802 123 P CB 0.426 32.115 31.700 -0.018 0.000 1.040 124 R N -0.579 119.913 120.500 -0.012 0.000 2.781 124 R HA 0.350 4.690 4.340 0.000 0.000 0.268 124 R C -0.596 175.690 176.300 -0.023 0.000 1.047 124 R CA -0.588 55.501 56.100 -0.018 0.000 0.925 124 R CB 1.277 31.567 30.300 -0.017 0.000 1.246 124 R HN 0.338 nan 8.270 nan 0.000 0.456 125 D N -0.335 120.048 120.400 -0.028 0.000 2.116 125 D HA 0.127 4.767 4.640 0.000 0.000 0.347 125 D C -0.772 175.505 176.300 -0.038 0.000 1.045 125 D CA 0.520 54.498 54.000 -0.037 0.000 0.885 125 D CB 1.101 41.882 40.800 -0.031 0.000 1.654 125 D HN 0.170 nan 8.370 nan 0.000 0.533 126 K N 1.394 121.777 120.400 -0.028 0.000 2.324 126 K HA 0.513 4.833 4.320 0.000 0.000 0.253 126 K C -2.777 173.813 176.600 -0.017 0.000 0.932 126 K CA -1.685 54.589 56.287 -0.023 0.000 0.799 126 K CB 2.644 35.133 32.500 -0.018 0.000 1.154 126 K HN -0.243 nan 8.250 nan 0.000 0.425 127 P HA -0.110 nan 4.420 nan 0.000 0.267 127 P C -0.330 176.969 177.300 -0.002 0.000 1.201 127 P CA -0.019 63.079 63.100 -0.004 0.000 0.775 127 P CB 0.381 32.085 31.700 0.006 0.000 0.854 128 T N 3.944 118.499 114.554 0.002 0.000 2.736 128 T HA 0.078 4.428 4.350 0.000 0.000 0.275 128 T C -1.943 172.760 174.700 0.006 0.000 0.962 128 T CA -1.399 60.705 62.100 0.007 0.000 1.214 128 T CB -0.886 67.996 68.868 0.024 0.000 0.904 128 T HN 0.214 nan 8.240 nan 0.000 0.529 129 P HA -0.067 nan 4.420 nan 0.000 0.260 129 P C 1.533 178.820 177.300 -0.021 0.000 1.172 129 P CA -0.500 62.592 63.100 -0.013 0.000 0.760 129 P CB 0.516 32.204 31.700 -0.020 0.000 0.773 130 L N 3.752 124.966 121.223 -0.014 0.000 2.058 130 L HA -0.254 4.086 4.340 0.000 0.000 0.226 130 L C 2.556 179.399 176.870 -0.044 0.000 1.089 130 L CA 2.644 57.473 54.840 -0.019 0.000 0.799 130 L CB -1.196 40.855 42.059 -0.013 0.000 0.900 130 L HN 0.551 nan 8.230 nan 0.000 0.442 131 E N 0.439 120.609 120.200 -0.049 0.000 2.187 131 E HA -0.278 4.072 4.350 0.000 0.000 0.199 131 E C 1.565 178.096 176.600 -0.114 0.000 1.004 131 E CA 2.049 58.410 56.400 -0.066 0.000 0.813 131 E CB -0.433 29.235 29.700 -0.053 0.000 0.736 131 E HN 0.863 nan 8.360 nan 0.000 0.468 132 E N 0.358 120.466 120.200 -0.153 0.000 2.244 132 E HA 0.035 4.385 4.350 0.000 0.000 0.196 132 E C 2.432 178.782 176.600 -0.416 0.000 0.939 132 E CA -0.170 56.033 56.400 -0.328 0.000 0.884 132 E CB -0.439 29.093 29.700 -0.281 0.000 0.850 132 E HN 0.111 nan 8.360 nan 0.000 0.481 133 L N 1.352 122.486 121.223 -0.149 0.000 2.083 133 L HA -0.088 4.252 4.340 0.000 0.000 0.209 133 L C 2.101 178.979 176.870 0.014 0.000 1.083 133 L CA 1.293 56.133 54.840 0.000 0.000 0.752 133 L CB -0.567 41.523 42.059 0.052 0.000 0.899 133 L HN 0.350 nan 8.230 nan 0.000 0.433 134 L N 0.654 121.851 121.223 -0.044 0.000 1.988 134 L HA -0.098 4.243 4.340 0.000 0.000 0.207 134 L C -0.088 176.769 176.870 -0.021 0.000 1.071 134 L CA 1.945 56.760 54.840 -0.042 0.000 0.744 134 L CB -2.251 39.779 42.059 -0.048 0.000 0.893 134 L HN 0.164 nan 8.230 nan 0.000 0.433 135 P HA -0.111 nan 4.420 nan 0.000 0.220 135 P C 1.208 178.587 177.300 0.132 0.000 1.148 135 P CA 1.151 64.258 63.100 0.011 0.000 0.803 135 P CB -0.018 31.660 31.700 -0.035 0.000 0.782 136 H N -0.285 118.824 119.070 0.064 0.000 2.299 136 H HA 0.018 4.574 4.556 0.000 0.000 0.302 136 H C 2.029 177.451 175.328 0.157 0.000 1.078 136 H CA 1.461 57.570 56.048 0.102 0.000 1.323 136 H CB -1.152 28.666 29.762 0.093 0.000 1.381 136 H HN 0.004 nan 8.280 nan 0.000 0.498 137 A N 1.052 124.033 122.820 0.269 0.000 1.883 137 A HA -0.141 4.179 4.320 0.000 0.000 0.217 137 A C 2.663 180.355 177.584 0.179 0.000 1.186 137 A CA 1.684 53.844 52.037 0.204 0.000 0.624 137 A CB -0.907 18.004 19.000 -0.148 0.000 0.822 137 A HN 0.351 nan 8.150 nan 0.000 0.444 138 I N -0.405 120.225 120.570 0.099 0.000 2.208 138 I HA -0.278 3.892 4.170 0.000 0.000 0.245 138 I C 2.554 178.756 176.117 0.142 0.000 1.097 138 I CA 1.868 63.220 61.300 0.087 0.000 1.363 138 I CB -0.502 37.527 38.000 0.047 0.000 1.051 138 I HN 0.513 nan 8.210 nan 0.000 0.413 139 E N 1.870 122.177 120.200 0.178 0.000 2.049 139 E HA -0.307 4.043 4.350 0.000 0.000 0.198 139 E C 2.104 178.842 176.600 0.230 0.000 1.007 139 E CA 1.828 58.341 56.400 0.187 0.000 0.809 139 E CB -0.679 29.142 29.700 0.202 0.000 0.749 139 E HN 0.377 nan 8.360 nan 0.000 0.450 140 F N 1.217 121.252 119.950 0.142 0.000 2.043 140 F HA -0.180 4.347 4.527 0.000 0.000 0.297 140 F C 2.108 177.995 175.800 0.145 0.000 1.121 140 F CA 2.125 60.224 58.000 0.165 0.000 1.199 140 F CB -0.743 38.376 39.000 0.198 0.000 0.968 140 F HN 0.132 nan 8.300 nan 0.000 0.478 141 I N 0.465 120.959 120.570 -0.128 0.000 2.335 141 I HA -0.346 3.824 4.170 0.000 0.000 0.251 141 I C 2.130 178.224 176.117 -0.037 0.000 1.129 141 I CA 1.418 62.609 61.300 -0.182 0.000 1.402 141 I CB -0.734 37.292 38.000 0.044 0.000 1.069 141 I HN 0.286 nan 8.210 nan 0.000 0.424 142 N N 0.396 119.127 118.700 0.053 0.000 2.331 142 N HA -0.183 4.557 4.740 0.000 0.000 0.180 142 N C 1.878 177.361 175.510 -0.044 0.000 1.019 142 N CA 0.939 54.055 53.050 0.110 0.000 0.881 142 N CB 0.001 38.593 38.487 0.175 0.000 0.972 142 N HN 0.539 nan 8.380 nan 0.000 0.435 143 Q N -0.026 119.733 119.800 -0.070 0.000 2.020 143 Q HA -0.150 4.190 4.340 0.000 0.000 0.198 143 Q C 1.977 177.759 176.000 -0.364 0.000 0.974 143 Q CA 0.943 56.704 55.803 -0.071 0.000 0.829 143 Q CB -0.127 28.688 28.738 0.129 0.000 0.894 143 Q HN 0.332 nan 8.270 nan 0.000 0.433 144 Y N 0.013 119.804 120.300 -0.848 0.000 2.053 144 Y HA -0.328 4.222 4.550 0.000 0.000 0.277 144 Y C 1.616 176.755 175.900 -1.268 0.000 1.159 144 Y CA 2.164 59.380 58.100 -1.473 0.000 1.125 144 Y CB -0.516 37.093 38.460 -1.419 0.000 0.969 144 Y HN 0.204 nan 8.280 nan 0.000 0.492 145 Y N -0.132 119.739 120.300 -0.714 0.000 2.574 145 Y HA -0.003 4.547 4.550 0.000 0.000 0.294 145 Y C 2.400 177.907 175.900 -0.655 0.000 1.142 145 Y CA 1.015 58.683 58.100 -0.720 0.000 1.314 145 Y CB -0.552 37.427 38.460 -0.802 0.000 0.991 145 Y HN 0.273 nan 8.280 nan 0.000 0.555 146 G N -1.526 106.999 108.800 -0.458 0.000 2.939 146 G HA2 -0.087 3.873 3.960 0.000 0.000 0.210 146 G HA3 -0.087 3.873 3.960 0.000 0.000 0.210 146 G C 1.620 176.338 174.900 -0.304 0.000 1.160 146 G CA 0.675 45.626 45.100 -0.247 0.000 0.770 146 G HN 0.436 nan 8.290 nan 0.000 0.543 147 S N 1.268 116.607 115.700 -0.602 0.000 2.329 147 S HA 0.109 4.579 4.470 0.000 0.000 0.215 147 S C 1.046 175.475 174.600 -0.285 0.000 1.031 147 S CA 0.097 58.049 58.200 -0.415 0.000 0.985 147 S CB -0.693 62.277 63.200 -0.383 0.000 0.917 147 S HN 0.290 nan 8.310 nan 0.000 0.441 148 F N 2.632 122.487 119.950 -0.158 0.000 2.506 148 F HA 0.540 5.067 4.527 0.000 0.000 0.351 148 F C 0.569 176.335 175.800 -0.057 0.000 1.136 148 F CA -2.148 55.790 58.000 -0.104 0.000 1.298 148 F CB 0.017 38.929 39.000 -0.146 0.000 1.145 148 F HN 0.189 nan 8.300 nan 0.000 0.593 149 K N 2.005 122.533 120.400 0.213 0.000 2.336 149 K HA 0.016 4.336 4.320 0.000 0.000 0.262 149 K C -0.007 176.658 176.600 0.109 0.000 0.992 149 K CA 0.204 56.564 56.287 0.122 0.000 0.927 149 K CB 0.179 32.721 32.500 0.070 0.000 0.956 149 K HN 0.935 nan 8.250 nan 0.000 0.495 150 E N -0.150 120.095 120.200 0.074 0.000 2.596 150 E HA -0.247 4.103 4.350 0.000 0.000 0.154 150 E C -0.988 175.639 176.600 0.044 0.000 1.849 150 E CA 0.356 56.782 56.400 0.042 0.000 0.629 150 E CB -1.753 27.947 29.700 0.001 0.000 1.066 150 E HN 0.624 nan 8.360 nan 0.000 0.334 151 A N 3.583 126.482 122.820 0.132 0.000 2.462 151 A HA 0.114 4.434 4.320 0.000 0.000 0.243 151 A C 0.578 178.234 177.584 0.121 0.000 1.076 151 A CA -0.084 52.087 52.037 0.224 0.000 0.773 151 A CB 0.455 19.623 19.000 0.279 0.000 1.010 151 A HN 0.474 nan 8.150 nan 0.000 0.493 152 K N 3.311 123.800 120.400 0.149 0.000 2.751 152 K HA 0.185 4.505 4.320 0.000 0.000 0.252 152 K C 0.691 177.385 176.600 0.156 0.000 1.277 152 K CA -0.105 56.247 56.287 0.108 0.000 1.226 152 K CB -0.236 32.325 32.500 0.101 0.000 1.658 152 K HN 0.717 nan 8.250 nan 0.000 0.303 153 I N 1.220 121.865 120.570 0.125 0.000 2.103 153 I HA -0.462 3.708 4.170 0.000 0.000 0.241 153 I C 2.581 178.711 176.117 0.020 0.000 1.036 153 I CA 1.784 63.140 61.300 0.094 0.000 1.300 153 I CB -0.101 37.930 38.000 0.052 0.000 1.010 153 I HN 0.601 nan 8.210 nan 0.000 0.406 154 E N 0.742 120.945 120.200 0.004 0.000 2.058 154 E HA -0.271 4.079 4.350 0.000 0.000 0.194 154 E C 2.016 178.589 176.600 -0.043 0.000 0.997 154 E CA 1.654 58.040 56.400 -0.023 0.000 0.801 154 E CB -0.043 29.651 29.700 -0.010 0.000 0.746 154 E HN 0.519 nan 8.360 nan 0.000 0.450 155 E N -0.761 119.427 120.200 -0.020 0.000 2.204 155 E HA -0.219 4.131 4.350 0.000 0.000 0.195 155 E C 1.968 178.388 176.600 -0.301 0.000 0.990 155 E CA 0.915 57.297 56.400 -0.031 0.000 0.821 155 E CB -0.247 29.536 29.700 0.138 0.000 0.750 155 E HN 0.497 nan 8.360 nan 0.000 0.477 156 H N 0.780 119.474 119.070 -0.628 0.000 2.256 156 H HA -0.137 4.419 4.556 0.000 0.000 0.299 156 H C 2.192 177.206 175.328 -0.522 0.000 1.071 156 H CA 1.356 56.774 56.048 -1.051 0.000 1.280 156 H CB 0.083 29.530 29.762 -0.525 0.000 1.370 156 H HN 0.022 nan 8.280 nan 0.000 0.490 157 L N 0.715 121.804 121.223 -0.224 0.000 2.012 157 L HA -0.193 4.147 4.340 0.000 0.000 0.210 157 L C 3.059 179.856 176.870 -0.123 0.000 1.073 157 L CA 1.308 56.028 54.840 -0.199 0.000 0.748 157 L CB -0.705 41.257 42.059 -0.161 0.000 0.891 157 L HN 0.393 nan 8.230 nan 0.000 0.431 158 A N 0.159 122.918 122.820 -0.102 0.000 1.873 158 A HA -0.299 4.021 4.320 0.000 0.000 0.218 158 A C 2.439 180.000 177.584 -0.038 0.000 1.193 158 A CA 2.291 54.295 52.037 -0.054 0.000 0.629 158 A CB -0.604 18.378 19.000 -0.029 0.000 0.826 158 A HN 0.334 nan 8.150 nan 0.000 0.447 159 R N -0.129 120.339 120.500 -0.054 0.000 2.073 159 R HA -0.016 4.324 4.340 0.000 0.000 0.234 159 R C 1.988 178.289 176.300 0.001 0.000 1.134 159 R CA 1.674 57.783 56.100 0.014 0.000 0.952 159 R CB -0.951 29.409 30.300 0.098 0.000 0.850 159 R HN 0.534 nan 8.270 nan 0.000 0.433 160 L N 0.282 121.488 121.223 -0.029 0.000 1.956 160 L HA -0.241 4.099 4.340 0.000 0.000 0.216 160 L C 2.581 179.426 176.870 -0.042 0.000 1.073 160 L CA 2.246 57.071 54.840 -0.025 0.000 0.762 160 L CB -0.640 41.387 42.059 -0.053 0.000 0.889 160 L HN 0.428 nan 8.230 nan 0.000 0.433 161 E N -0.160 120.011 120.200 -0.048 0.000 2.049 161 E HA -0.305 4.046 4.350 0.000 0.000 0.198 161 E C 2.113 178.697 176.600 -0.026 0.000 1.007 161 E CA 1.511 57.888 56.400 -0.040 0.000 0.809 161 E CB -0.094 29.582 29.700 -0.040 0.000 0.749 161 E HN 0.479 nan 8.360 nan 0.000 0.450 162 A N 0.494 123.305 122.820 -0.014 0.000 1.873 162 A HA -0.209 4.111 4.320 0.000 0.000 0.218 162 A C 2.473 180.057 177.584 -0.000 0.000 1.193 162 A CA 2.033 54.072 52.037 0.004 0.000 0.629 162 A CB -0.999 18.015 19.000 0.023 0.000 0.826 162 A HN 0.254 nan 8.150 nan 0.000 0.447 163 V N -0.111 119.793 119.914 -0.017 0.000 2.343 163 V HA -0.255 3.865 4.120 0.000 0.000 0.247 163 V C 2.736 178.763 176.094 -0.111 0.000 1.051 163 V CA 2.505 64.760 62.300 -0.076 0.000 1.036 163 V CB -1.542 30.187 31.823 -0.157 0.000 0.654 163 V HN 0.645 nan 8.190 nan 0.000 0.451 164 T N 0.048 114.550 114.554 -0.087 0.000 2.652 164 T HA -0.243 4.107 4.350 0.000 0.000 0.267 164 T C 1.900 176.574 174.700 -0.043 0.000 1.039 164 T CA 1.779 63.835 62.100 -0.073 0.000 1.153 164 T CB -0.275 68.561 68.868 -0.053 0.000 0.863 164 T HN 0.508 nan 8.240 nan 0.000 0.428 165 K N 0.911 121.296 120.400 -0.025 0.000 2.026 165 K HA -0.160 4.160 4.320 0.000 0.000 0.208 165 K C 2.465 179.069 176.600 0.005 0.000 1.048 165 K CA 1.601 57.883 56.287 -0.008 0.000 0.929 165 K CB -0.258 32.240 32.500 -0.002 0.000 0.713 165 K HN 0.506 nan 8.250 nan 0.000 0.439 166 E N 1.404 121.613 120.200 0.014 0.000 2.130 166 E HA -0.216 4.134 4.350 0.000 0.000 0.196 166 E C 1.882 178.516 176.600 0.056 0.000 0.998 166 E CA 1.309 57.737 56.400 0.046 0.000 0.806 166 E CB -0.088 29.659 29.700 0.078 0.000 0.738 166 E HN 0.291 nan 8.360 nan 0.000 0.459 167 I N 0.515 121.098 120.570 0.023 0.000 2.235 167 I HA -0.184 3.986 4.170 0.000 0.000 0.241 167 I C 2.304 178.436 176.117 0.025 0.000 1.085 167 I CA 1.247 62.567 61.300 0.033 0.000 1.378 167 I CB -0.334 37.645 38.000 -0.035 0.000 1.076 167 I HN 0.131 nan 8.210 nan 0.000 0.415 168 E N 0.534 120.736 120.200 0.004 0.000 2.160 168 E HA -0.223 4.127 4.350 0.000 0.000 0.195 168 E C 2.100 178.707 176.600 0.012 0.000 0.991 168 E CA 2.051 58.453 56.400 0.003 0.000 0.810 168 E CB -0.154 29.542 29.700 -0.006 0.000 0.742 168 E HN 0.646 nan 8.360 nan 0.000 0.466 169 T N -1.597 112.969 114.554 0.019 0.000 2.814 169 T HA -0.083 4.267 4.350 0.000 0.000 0.254 169 T C 2.210 176.928 174.700 0.030 0.000 1.037 169 T CA 1.441 63.555 62.100 0.023 0.000 1.143 169 T CB -0.504 68.379 68.868 0.024 0.000 0.866 169 T HN 0.185 nan 8.240 nan 0.000 0.431 170 T N -2.057 112.522 114.554 0.042 0.000 3.037 170 T HA 0.580 4.930 4.350 0.000 0.000 0.252 170 T C 1.766 176.496 174.700 0.050 0.000 1.073 170 T CA 0.641 62.769 62.100 0.047 0.000 1.091 170 T CB 0.065 68.968 68.868 0.059 0.000 0.935 170 T HN 0.888 nan 8.240 nan 0.000 0.488 171 G N 0.935 109.767 108.800 0.054 0.000 3.405 171 G HA2 -0.225 3.735 3.960 0.000 0.000 0.246 171 G HA3 -0.225 3.735 3.960 0.000 0.000 0.246 171 G C 0.399 175.352 174.900 0.090 0.000 1.852 171 G CA 0.160 45.293 45.100 0.055 0.000 1.510 171 G HN 0.762 nan 8.290 nan 0.000 0.570 172 T N 0.562 115.175 114.554 0.098 0.000 2.753 172 T HA 0.612 4.962 4.350 0.000 0.000 0.309 172 T C -0.097 174.748 174.700 0.242 0.000 1.043 172 T CA 1.123 63.308 62.100 0.143 0.000 0.964 172 T CB 0.623 69.522 68.868 0.052 0.000 1.206 172 T HN 1.809 nan 8.240 nan 0.000 0.528 173 Y N -1.225 119.089 120.300 0.023 0.000 2.624 173 Y HA 0.609 5.159 4.550 0.000 0.000 0.334 173 Y C -1.418 174.511 175.900 0.048 0.000 1.155 173 Y CA -1.309 56.815 58.100 0.040 0.000 1.046 173 Y CB 0.857 39.349 38.460 0.055 0.000 1.316 173 Y HN 0.428 nan 8.280 nan 0.000 0.457 174 Q N 2.956 122.756 119.800 0.000 0.000 2.274 174 Q HA 0.449 4.789 4.340 0.000 0.000 0.260 174 Q C -0.901 175.109 176.000 0.016 0.000 0.974 174 Q CA -0.947 54.811 55.803 -0.075 0.000 0.876 174 Q CB 2.722 31.474 28.738 0.023 0.000 1.297 174 Q HN 0.651 nan 8.270 nan 0.000 0.446 175 L N 1.561 122.773 121.223 -0.018 0.000 2.421 175 L HA 0.334 4.674 4.340 0.000 0.000 0.263 175 L C 1.139 178.058 176.870 0.082 0.000 1.122 175 L CA -0.028 54.874 54.840 0.103 0.000 0.804 175 L CB 0.542 42.673 42.059 0.120 0.000 1.150 175 L HN 0.740 nan 8.230 nan 0.000 0.457 176 T N -1.270 113.321 114.554 0.062 0.000 2.882 176 T HA 0.177 4.527 4.350 0.000 0.000 0.287 176 T C 1.343 176.069 174.700 0.043 0.000 1.014 176 T CA -0.658 61.464 62.100 0.037 0.000 1.049 176 T CB 1.023 69.891 68.868 -0.001 0.000 1.001 176 T HN 0.463 nan 8.240 nan 0.000 0.525 177 L N 0.602 121.853 121.223 0.047 0.000 2.012 177 L HA -0.121 4.219 4.340 0.000 0.000 0.210 177 L C 2.194 179.116 176.870 0.088 0.000 1.073 177 L CA 2.300 57.170 54.840 0.050 0.000 0.748 177 L CB -1.259 40.826 42.059 0.042 0.000 0.891 177 L HN 0.910 nan 8.230 nan 0.000 0.431 178 D N -0.184 120.285 120.400 0.115 0.000 2.182 178 D HA -0.233 4.407 4.640 0.000 0.000 0.201 178 D C 1.954 178.448 176.300 0.323 0.000 0.986 178 D CA 1.265 55.389 54.000 0.206 0.000 0.847 178 D CB 0.239 41.186 40.800 0.245 0.000 0.942 178 D HN 0.533 nan 8.370 nan 0.000 0.467 179 E N -0.217 120.066 120.200 0.138 0.000 2.047 179 E HA -0.174 4.176 4.350 0.000 0.000 0.191 179 E C 2.112 178.947 176.600 0.391 0.000 0.987 179 E CA 0.367 56.827 56.400 0.099 0.000 0.799 179 E CB -0.074 29.542 29.700 -0.140 0.000 0.752 179 E HN 0.145 nan 8.360 nan 0.000 0.449 180 L N 1.004 122.351 121.223 0.207 0.000 2.042 180 L HA -0.184 4.156 4.340 0.000 0.000 0.210 180 L C 1.994 178.939 176.870 0.125 0.000 1.076 180 L CA 1.406 56.307 54.840 0.102 0.000 0.749 180 L CB -0.390 41.653 42.059 -0.028 0.000 0.893 180 L HN 0.068 nan 8.230 nan 0.000 0.432 181 I N -0.863 119.803 120.570 0.160 0.000 2.091 181 I HA -0.335 3.835 4.170 0.000 0.000 0.239 181 I C 2.360 178.606 176.117 0.216 0.000 1.061 181 I CA 1.865 63.251 61.300 0.143 0.000 1.317 181 I CB -0.886 37.202 38.000 0.146 0.000 1.031 181 I HN 0.356 nan 8.210 nan 0.000 0.401 182 F N 1.145 121.212 119.950 0.194 0.000 2.154 182 F HA -0.296 4.231 4.527 0.000 0.000 0.301 182 F C 2.341 178.293 175.800 0.254 0.000 1.087 182 F CA 1.681 59.819 58.000 0.230 0.000 1.274 182 F CB -0.486 38.695 39.000 0.301 0.000 1.009 182 F HN 0.068 nan 8.300 nan 0.000 0.485 183 A N 0.149 123.224 122.820 0.426 0.000 1.858 183 A HA -0.221 4.099 4.320 0.000 0.000 0.216 183 A C 2.309 179.874 177.584 -0.031 0.000 1.190 183 A CA 2.773 54.924 52.037 0.190 0.000 0.617 183 A CB -1.680 17.357 19.000 0.061 0.000 0.827 183 A HN 0.544 nan 8.150 nan 0.000 0.443 184 T N -1.256 113.293 114.554 -0.009 0.000 2.684 184 T HA -0.202 4.148 4.350 0.000 0.000 0.267 184 T C 1.804 176.581 174.700 0.127 0.000 1.036 184 T CA 1.726 63.843 62.100 0.028 0.000 1.148 184 T CB -0.421 68.462 68.868 0.026 0.000 0.863 184 T HN 0.544 nan 8.240 nan 0.000 0.436 185 K N 0.061 120.532 120.400 0.119 0.000 2.097 185 K HA 0.069 4.389 4.320 0.000 0.000 0.205 185 K C 2.329 179.051 176.600 0.203 0.000 1.050 185 K CA 1.334 57.766 56.287 0.242 0.000 0.938 185 K CB -0.285 32.313 32.500 0.164 0.000 0.718 185 K HN 0.211 nan 8.250 nan 0.000 0.442 186 M N 0.733 120.284 119.600 -0.081 0.000 2.156 186 M HA -0.029 4.451 4.480 0.000 0.000 0.264 186 M C 2.060 178.270 176.300 -0.151 0.000 1.067 186 M CA 1.278 56.441 55.300 -0.229 0.000 1.131 186 M CB -0.358 31.988 32.600 -0.422 0.000 1.368 186 M HN 0.153 nan 8.290 nan 0.000 0.416 187 A N -1.262 121.453 122.820 -0.174 0.000 1.972 187 A HA -0.204 4.116 4.320 0.000 0.000 0.219 187 A C 2.009 179.524 177.584 -0.115 0.000 1.169 187 A CA 1.591 53.390 52.037 -0.395 0.000 0.635 187 A CB -1.295 17.098 19.000 -1.012 0.000 0.810 187 A HN 0.767 nan 8.150 nan 0.000 0.446 188 W N 0.817 122.127 121.300 0.017 0.000 2.407 188 W HA -0.041 4.619 4.660 0.000 0.000 0.305 188 W C 2.206 178.674 176.519 -0.084 0.000 1.196 188 W CA 1.212 58.572 57.345 0.025 0.000 1.311 188 W CB -0.676 28.770 29.460 -0.023 0.000 1.135 188 W HN 0.336 nan 8.180 nan 0.000 0.514 189 R N 0.468 120.929 120.500 -0.065 0.000 2.170 189 R HA -0.179 4.161 4.340 0.000 0.000 0.242 189 R C 1.001 177.163 176.300 -0.230 0.000 1.145 189 R CA 1.736 57.624 56.100 -0.354 0.000 0.984 189 R CB -0.442 29.485 30.300 -0.622 0.000 0.869 189 R HN 0.068 nan 8.270 nan 0.000 0.455 190 N N -0.168 118.445 118.700 -0.144 0.000 2.268 190 N HA 0.077 4.817 4.740 0.000 0.000 0.204 190 N C -0.859 174.564 175.510 -0.145 0.000 1.124 190 N CA 0.352 53.348 53.050 -0.089 0.000 0.838 190 N CB 1.287 39.783 38.487 0.015 0.000 0.994 190 N HN 0.128 nan 8.380 nan 0.000 0.489 191 A N 2.238 124.967 122.820 -0.153 0.000 2.666 191 A HA 0.269 4.589 4.320 0.000 0.000 0.312 191 A C -1.098 176.427 177.584 -0.098 0.000 1.471 191 A CA -1.161 50.741 52.037 -0.225 0.000 1.134 191 A CB 0.392 19.331 19.000 -0.102 0.000 1.129 191 A HN -0.021 nan 8.150 nan 0.000 0.539 192 P HA -0.158 nan 4.420 nan 0.000 0.226 192 P C 0.673 177.938 177.300 -0.058 0.000 1.146 192 P CA 1.008 64.085 63.100 -0.037 0.000 0.773 192 P CB 0.177 31.855 31.700 -0.036 0.000 0.772 193 R N -1.451 118.979 120.500 -0.117 0.000 2.427 193 R HA 0.200 4.540 4.340 0.000 0.000 0.262 193 R C 0.336 176.648 176.300 0.021 0.000 0.943 193 R CA -0.246 55.800 56.100 -0.091 0.000 1.081 193 R CB -0.099 29.931 30.300 -0.450 0.000 1.166 193 R HN 0.160 nan 8.270 nan 0.000 0.534 194 C N 0.258 119.540 119.300 -0.029 0.000 2.351 194 C HA 0.444 4.904 4.460 0.000 0.000 0.326 194 C C 1.551 176.473 174.990 -0.113 0.000 1.272 194 C CA -0.703 58.314 59.018 -0.002 0.000 1.650 194 C CB 0.249 28.060 27.740 0.118 0.000 2.257 194 C HN 0.490 nan 8.230 nan 0.000 0.505 195 I N 3.843 124.323 120.570 -0.149 0.000 3.427 195 I HA 0.154 4.324 4.170 0.000 0.000 0.288 195 I C 2.154 178.329 176.117 0.097 0.000 1.249 195 I CA 0.879 62.040 61.300 -0.232 0.000 1.421 195 I CB -0.153 37.713 38.000 -0.224 0.000 1.086 195 I HN 0.931 nan 8.210 nan 0.000 0.448 196 G N 0.942 109.783 108.800 0.069 0.000 3.314 196 G HA2 0.007 3.967 3.960 0.000 0.000 0.238 196 G HA3 0.007 3.967 3.960 0.000 0.000 0.238 196 G C 1.339 176.231 174.900 -0.014 0.000 1.184 196 G CA -0.347 44.786 45.100 0.055 0.000 0.806 196 G HN 0.236 nan 8.290 nan 0.000 0.536 197 R N -0.028 120.390 120.500 -0.137 0.000 2.303 197 R HA -0.012 4.328 4.340 0.000 0.000 0.225 197 R C 1.987 177.728 176.300 -0.932 0.000 1.114 197 R CA 0.444 56.134 56.100 -0.683 0.000 1.007 197 R CB -0.330 29.643 30.300 -0.545 0.000 0.861 197 R HN 0.500 nan 8.270 nan 0.000 0.471 198 I N 1.022 121.219 120.570 -0.620 0.000 2.493 198 I HA -0.220 3.950 4.170 0.000 0.000 0.254 198 I C 1.531 177.573 176.117 -0.126 0.000 1.160 198 I CA 1.245 62.429 61.300 -0.195 0.000 1.445 198 I CB 0.137 38.152 38.000 0.026 0.000 1.086 198 I HN 0.125 nan 8.210 nan 0.000 0.433 199 Q N 0.809 120.435 119.800 -0.289 0.000 2.444 199 Q HA -0.123 4.217 4.340 0.000 0.000 0.206 199 Q C 1.661 177.207 176.000 -0.757 0.000 0.948 199 Q CA 0.551 56.184 55.803 -0.284 0.000 0.946 199 Q CB -0.249 28.492 28.738 0.005 0.000 1.027 199 Q HN 0.794 nan 8.270 nan 0.000 0.513 200 W N 1.191 121.668 121.300 -1.371 0.000 2.292 200 W HA -0.269 4.391 4.660 0.000 0.000 0.304 200 W C 1.269 177.506 176.519 -0.469 0.000 1.228 200 W CA 1.659 58.111 57.345 -1.488 0.000 1.241 200 W CB -1.432 27.407 29.460 -1.035 0.000 1.142 200 W HN 0.163 nan 8.180 nan 0.000 0.520 201 S N 0.049 114.879 115.700 -1.449 0.000 2.522 201 S HA -0.021 4.449 4.470 0.000 0.000 0.227 201 S C 0.785 175.114 174.600 -0.450 0.000 0.986 201 S CA 0.292 57.786 58.200 -1.176 0.000 0.929 201 S CB -0.628 61.767 63.200 -1.341 0.000 0.769 201 S HN 0.190 nan 8.310 nan 0.000 0.529 202 N N 1.715 120.270 118.700 -0.242 0.000 3.234 202 N HA 0.436 5.176 4.740 0.000 0.000 0.272 202 N C -1.329 174.268 175.510 0.146 0.000 1.254 202 N CA -0.103 52.937 53.050 -0.016 0.000 1.087 202 N CB 0.884 39.398 38.487 0.045 0.000 1.356 202 N HN 0.329 nan 8.380 nan 0.000 0.511 203 L N 1.463 122.748 121.223 0.102 0.000 2.354 203 L HA 0.477 4.817 4.340 0.000 0.000 0.264 203 L C -0.733 176.132 176.870 -0.010 0.000 1.008 203 L CA -0.695 54.206 54.840 0.100 0.000 0.819 203 L CB 2.223 44.382 42.059 0.167 0.000 1.339 203 L HN 0.129 nan 8.230 nan 0.000 0.420 204 Q N 2.216 121.955 119.800 -0.101 0.000 2.322 204 Q HA 0.662 5.002 4.340 0.000 0.000 0.265 204 Q C -1.913 173.832 176.000 -0.425 0.000 0.985 204 Q CA -0.493 55.141 55.803 -0.281 0.000 0.849 204 Q CB 1.803 30.262 28.738 -0.465 0.000 1.274 204 Q HN 0.497 nan 8.270 nan 0.000 0.449 205 V N 4.977 124.695 119.914 -0.326 0.000 2.398 205 V HA 0.482 4.602 4.120 0.000 0.000 0.286 205 V C -0.800 175.195 176.094 -0.166 0.000 1.026 205 V CA -0.615 61.528 62.300 -0.263 0.000 0.868 205 V CB 0.824 32.578 31.823 -0.116 0.000 0.982 205 V HN 0.666 nan 8.190 nan 0.000 0.443 206 F N 2.716 122.530 119.950 -0.225 0.000 2.308 206 F HA 0.343 4.870 4.527 0.000 0.000 0.370 206 F C 0.537 176.169 175.800 -0.280 0.000 1.100 206 F CA -1.754 56.105 58.000 -0.236 0.000 1.108 206 F CB 0.852 39.699 39.000 -0.255 0.000 1.293 206 F HN 0.509 nan 8.300 nan 0.000 0.478 207 D N 3.212 123.601 120.400 -0.018 0.000 2.367 207 D HA 0.247 4.887 4.640 0.000 0.000 0.255 207 D C 0.476 176.652 176.300 -0.207 0.000 1.300 207 D CA 0.299 54.225 54.000 -0.124 0.000 0.959 207 D CB 0.779 41.541 40.800 -0.064 0.000 1.064 207 D HN 0.559 nan 8.370 nan 0.000 0.509 208 A N 4.703 127.275 122.820 -0.414 0.000 2.574 208 A HA 0.143 4.463 4.320 0.000 0.000 0.283 208 A C 1.851 179.161 177.584 -0.456 0.000 1.270 208 A CA -0.389 51.248 52.037 -0.667 0.000 0.945 208 A CB 0.079 18.241 19.000 -1.397 0.000 1.127 208 A HN 0.526 nan 8.150 nan 0.000 0.522 209 R N 1.153 121.496 120.500 -0.263 0.000 2.127 209 R HA -0.157 4.183 4.340 0.000 0.000 0.238 209 R C 1.332 177.546 176.300 -0.143 0.000 1.134 209 R CA 1.686 57.693 56.100 -0.155 0.000 0.975 209 R CB -0.295 29.974 30.300 -0.052 0.000 0.865 209 R HN 0.877 nan 8.270 nan 0.000 0.447 210 N N 0.060 118.693 118.700 -0.112 0.000 2.449 210 N HA -0.036 4.704 4.740 0.000 0.000 0.191 210 N C 0.541 176.034 175.510 -0.030 0.000 1.161 210 N CA -0.335 52.685 53.050 -0.050 0.000 0.863 210 N CB -0.001 38.479 38.487 -0.012 0.000 0.980 210 N HN 0.055 nan 8.380 nan 0.000 0.458 211 C N 1.437 120.676 119.300 -0.102 0.000 2.700 211 C HA 0.277 4.737 4.460 0.000 0.000 0.397 211 C C 1.676 176.735 174.990 0.115 0.000 1.301 211 C CA 0.390 59.412 59.018 0.007 0.000 2.219 211 C CB 0.660 28.373 27.740 -0.045 0.000 2.699 211 C HN 0.589 nan 8.230 nan 0.000 0.669 212 S N 0.473 116.340 115.700 0.278 0.000 2.800 212 S HA 0.227 4.697 4.470 0.000 0.000 0.266 212 S C -0.072 174.722 174.600 0.325 0.000 1.029 212 S CA 0.339 58.765 58.200 0.377 0.000 1.302 212 S CB -0.304 63.022 63.200 0.211 0.000 1.212 212 S HN 1.144 nan 8.310 nan 0.000 0.683 213 T N -1.235 113.502 114.554 0.305 0.000 2.883 213 T HA 0.842 5.193 4.350 0.000 0.000 0.301 213 T C 1.096 175.945 174.700 0.248 0.000 1.158 213 T CA -0.248 61.982 62.100 0.217 0.000 1.007 213 T CB 1.379 70.344 68.868 0.161 0.000 1.186 213 T HN 0.236 nan 8.240 nan 0.000 0.499 214 A N 0.576 123.528 122.820 0.219 0.000 1.902 214 A HA -0.091 4.229 4.320 0.000 0.000 0.217 214 A C 2.239 180.034 177.584 0.352 0.000 1.181 214 A CA 1.252 53.475 52.037 0.311 0.000 0.623 214 A CB -0.893 18.297 19.000 0.316 0.000 0.818 214 A HN 0.765 nan 8.150 nan 0.000 0.443 215 Q N -0.555 119.423 119.800 0.297 0.000 2.170 215 Q HA -0.169 4.171 4.340 0.000 0.000 0.203 215 Q C 1.878 177.904 176.000 0.043 0.000 0.976 215 Q CA 1.691 57.540 55.803 0.077 0.000 0.858 215 Q CB -0.168 28.662 28.738 0.153 0.000 0.907 215 Q HN 0.855 nan 8.270 nan 0.000 0.433 216 E N -0.616 119.676 120.200 0.153 0.000 2.112 216 E HA -0.070 4.281 4.350 0.000 0.000 0.190 216 E C 2.052 178.881 176.600 0.382 0.000 0.979 216 E CA 0.439 56.962 56.400 0.206 0.000 0.814 216 E CB 0.129 29.980 29.700 0.251 0.000 0.762 216 E HN 0.299 nan 8.360 nan 0.000 0.460 217 M N 0.014 119.847 119.600 0.388 0.000 2.067 217 M HA -0.156 4.324 4.480 0.000 0.000 0.260 217 M C 2.199 178.750 176.300 0.419 0.000 1.069 217 M CA 1.161 56.749 55.300 0.479 0.000 1.117 217 M CB -0.468 32.210 32.600 0.129 0.000 1.334 217 M HN 0.174 nan 8.290 nan 0.000 0.407 218 F N 1.810 121.757 119.950 -0.006 0.000 2.085 218 F HA -0.325 4.202 4.527 0.000 0.000 0.299 218 F C 2.251 178.003 175.800 -0.080 0.000 1.096 218 F CA 2.026 59.921 58.000 -0.175 0.000 1.227 218 F CB -0.948 37.584 39.000 -0.781 0.000 0.983 218 F HN 0.224 nan 8.300 nan 0.000 0.482 219 Q N -1.359 118.364 119.800 -0.129 0.000 2.124 219 Q HA -0.214 4.126 4.340 0.000 0.000 0.202 219 Q C 2.026 177.922 176.000 -0.172 0.000 0.977 219 Q CA 1.959 57.591 55.803 -0.285 0.000 0.850 219 Q CB -0.347 28.212 28.738 -0.299 0.000 0.901 219 Q HN 0.580 nan 8.270 nan 0.000 0.429 220 H N -0.200 118.886 119.070 0.027 0.000 2.389 220 H HA -0.045 4.511 4.556 0.000 0.000 0.299 220 H C 1.806 177.205 175.328 0.118 0.000 1.081 220 H CA 1.340 57.395 56.048 0.012 0.000 1.345 220 H CB 0.093 29.866 29.762 0.018 0.000 1.393 220 H HN 0.176 nan 8.280 nan 0.000 0.520 221 I N -0.468 120.325 120.570 0.371 0.000 2.252 221 I HA -0.302 3.868 4.170 0.000 0.000 0.245 221 I C 1.952 178.232 176.117 0.272 0.000 1.102 221 I CA 0.758 62.281 61.300 0.373 0.000 1.385 221 I CB -0.245 37.983 38.000 0.379 0.000 1.064 221 I HN 0.396 nan 8.210 nan 0.000 0.414 222 C N 0.280 119.660 119.300 0.134 0.000 2.453 222 C HA -0.135 4.325 4.460 0.000 0.000 0.277 222 C C 2.957 177.981 174.990 0.056 0.000 1.262 222 C CA 0.675 59.721 59.018 0.046 0.000 1.718 222 C CB -1.157 26.500 27.740 -0.138 0.000 2.031 222 C HN 0.479 nan 8.230 nan 0.000 0.480 223 R N 0.087 120.587 120.500 -0.000 0.000 2.117 223 R HA -0.205 4.135 4.340 0.000 0.000 0.243 223 R C 2.280 178.698 176.300 0.197 0.000 1.143 223 R CA 1.821 57.902 56.100 -0.032 0.000 0.968 223 R CB -0.684 29.461 30.300 -0.258 0.000 0.863 223 R HN 0.752 nan 8.270 nan 0.000 0.444 224 H N 0.105 119.302 119.070 0.212 0.000 2.261 224 H HA -0.104 4.452 4.556 0.000 0.000 0.301 224 H C 2.214 177.734 175.328 0.320 0.000 1.067 224 H CA 2.035 58.353 56.048 0.451 0.000 1.297 224 H CB -0.085 29.894 29.762 0.361 0.000 1.377 224 H HN 0.189 nan 8.280 nan 0.000 0.492 225 I N 0.925 121.579 120.570 0.140 0.000 2.113 225 I HA -0.359 3.811 4.170 0.000 0.000 0.242 225 I C 2.917 179.055 176.117 0.035 0.000 1.064 225 I CA 1.253 62.557 61.300 0.007 0.000 1.320 225 I CB -0.363 37.665 38.000 0.047 0.000 1.028 225 I HN 0.349 nan 8.210 nan 0.000 0.406 226 L N -0.291 120.984 121.223 0.086 0.000 2.012 226 L HA -0.298 4.042 4.340 0.000 0.000 0.210 226 L C 2.749 179.676 176.870 0.096 0.000 1.073 226 L CA 1.719 56.601 54.840 0.070 0.000 0.748 226 L CB -0.478 41.617 42.059 0.060 0.000 0.891 226 L HN 0.256 nan 8.230 nan 0.000 0.431 227 Y N 0.244 120.607 120.300 0.106 0.000 2.145 227 Y HA -0.295 4.255 4.550 0.000 0.000 0.286 227 Y C 2.347 178.290 175.900 0.070 0.000 1.145 227 Y CA 1.794 59.984 58.100 0.150 0.000 1.148 227 Y CB -0.472 38.217 38.460 0.382 0.000 0.981 227 Y HN 0.241 nan 8.280 nan 0.000 0.507 228 A N -0.438 122.422 122.820 0.067 0.000 1.877 228 A HA -0.180 4.140 4.320 0.000 0.000 0.216 228 A C 2.225 179.746 177.584 -0.105 0.000 1.186 228 A CA 2.326 54.319 52.037 -0.073 0.000 0.620 228 A CB -1.416 17.489 19.000 -0.158 0.000 0.822 228 A HN 0.530 nan 8.150 nan 0.000 0.443 229 T N -0.108 114.406 114.554 -0.068 0.000 2.684 229 T HA -0.173 4.177 4.350 0.000 0.000 0.267 229 T C 1.172 175.830 174.700 -0.070 0.000 1.036 229 T CA 1.523 63.598 62.100 -0.041 0.000 1.148 229 T CB -0.498 68.358 68.868 -0.021 0.000 0.863 229 T HN 0.664 nan 8.240 nan 0.000 0.436 230 N N 1.738 120.374 118.700 -0.108 0.000 2.708 230 N HA -0.276 4.464 4.740 0.000 0.000 0.251 230 N C 0.074 175.534 175.510 -0.083 0.000 1.017 230 N CA 0.966 53.940 53.050 -0.127 0.000 0.742 230 N CB -2.124 36.239 38.487 -0.206 0.000 0.943 230 N HN 0.666 nan 8.380 nan 0.000 0.539 231 N N -1.895 116.770 118.700 -0.059 0.000 2.754 231 N HA -0.242 4.498 4.740 0.000 0.000 0.248 231 N C 0.931 176.407 175.510 -0.057 0.000 1.093 231 N CA 1.195 54.214 53.050 -0.052 0.000 0.699 231 N CB -1.246 37.212 38.487 -0.049 0.000 1.016 231 N HN 1.068 nan 8.380 nan 0.000 0.552 232 G N 0.347 109.115 108.800 -0.053 0.000 2.345 232 G HA2 -0.334 3.626 3.960 0.000 0.000 0.218 232 G HA3 -0.334 3.626 3.960 0.000 0.000 0.218 232 G C -0.059 174.810 174.900 -0.052 0.000 1.058 232 G CA 0.297 45.365 45.100 -0.054 0.000 0.632 232 G HN 0.602 nan 8.290 nan 0.000 0.508 233 N N 2.033 120.691 118.700 -0.071 0.000 2.671 233 N HA 0.309 5.049 4.740 0.000 0.000 0.274 233 N C 0.573 176.035 175.510 -0.080 0.000 1.188 233 N CA -0.629 52.366 53.050 -0.093 0.000 1.065 233 N CB -0.173 38.258 38.487 -0.094 0.000 1.415 233 N HN 0.247 nan 8.380 nan 0.000 0.511 234 I N 2.533 123.079 120.570 -0.040 0.000 2.775 234 I HA -0.042 4.128 4.170 0.000 0.000 0.290 234 I C 0.760 176.947 176.117 0.115 0.000 1.203 234 I CA 0.857 62.191 61.300 0.057 0.000 1.433 234 I CB 0.151 38.272 38.000 0.203 0.000 1.354 234 I HN 0.441 nan 8.210 nan 0.000 0.579 235 R N 3.736 124.281 120.500 0.075 0.000 2.513 235 R HA 0.357 4.697 4.340 0.000 0.000 0.301 235 R C -0.530 175.864 176.300 0.158 0.000 0.968 235 R CA -0.619 55.548 56.100 0.112 0.000 0.872 235 R CB 1.953 32.172 30.300 -0.136 0.000 1.177 235 R HN 0.550 nan 8.270 nan 0.000 0.444 236 S N 1.646 117.451 115.700 0.175 0.000 2.531 236 S HA 0.497 4.967 4.470 0.000 0.000 0.279 236 S C -0.272 174.352 174.600 0.041 0.000 1.305 236 S CA -0.211 57.994 58.200 0.008 0.000 1.058 236 S CB 1.216 64.337 63.200 -0.131 0.000 0.899 236 S HN 0.703 nan 8.310 nan 0.000 0.493 237 A N 2.894 125.716 122.820 0.004 0.000 2.599 237 A HA 0.874 5.194 4.320 0.000 0.000 0.290 237 A C -1.325 176.303 177.584 0.074 0.000 1.101 237 A CA -0.703 51.316 52.037 -0.030 0.000 0.674 237 A CB 1.198 20.169 19.000 -0.048 0.000 1.277 237 A HN 0.798 nan 8.150 nan 0.000 0.419 238 I N -0.036 120.408 120.570 -0.210 0.000 2.775 238 I HA 0.635 4.805 4.170 0.000 0.000 0.295 238 I C -0.967 174.879 176.117 -0.451 0.000 1.287 238 I CA -0.089 61.056 61.300 -0.259 0.000 1.029 238 I CB 2.419 40.341 38.000 -0.129 0.000 1.282 238 I HN 0.748 nan 8.210 nan 0.000 0.426 239 T N 6.587 120.866 114.554 -0.458 0.000 2.893 239 T HA 0.464 4.814 4.350 0.000 0.000 0.324 239 T C -0.868 173.603 174.700 -0.382 0.000 1.082 239 T CA -0.373 61.492 62.100 -0.391 0.000 0.983 239 T CB 0.331 68.961 68.868 -0.396 0.000 1.005 239 T HN 0.299 nan 8.240 nan 0.000 0.475 240 V N 7.384 127.077 119.914 -0.369 0.000 2.415 240 V HA 0.341 4.461 4.120 0.000 0.000 0.267 240 V C 0.137 175.979 176.094 -0.419 0.000 1.042 240 V CA -0.275 61.827 62.300 -0.331 0.000 1.000 240 V CB -0.858 30.715 31.823 -0.416 0.000 1.015 240 V HN 0.757 nan 8.190 nan 0.000 0.478 241 F N 5.979 125.861 119.950 -0.114 0.000 2.362 241 F HA 0.429 4.956 4.527 0.000 0.000 0.311 241 F C -1.662 174.046 175.800 -0.154 0.000 1.161 241 F CA -2.331 55.545 58.000 -0.206 0.000 1.085 241 F CB 0.176 39.077 39.000 -0.166 0.000 1.311 241 F HN 0.309 nan 8.300 nan 0.000 0.524 242 P HA -0.041 nan 4.420 nan 0.000 0.261 242 P C -0.908 176.429 177.300 0.062 0.000 1.173 242 P CA 0.043 63.011 63.100 -0.219 0.000 0.760 242 P CB 0.181 31.473 31.700 -0.681 0.000 0.783 243 Q N 3.443 123.271 119.800 0.047 0.000 2.793 243 Q HA 0.043 4.383 4.340 0.000 0.000 0.220 243 Q C 0.097 176.009 176.000 -0.146 0.000 1.123 243 Q CA -0.259 55.303 55.803 -0.401 0.000 1.073 243 Q CB 0.473 28.708 28.738 -0.838 0.000 1.315 243 Q HN 0.327 nan 8.270 nan 0.000 0.619 244 R N 0.505 120.865 120.500 -0.232 0.000 2.254 244 R HA 0.140 4.480 4.340 0.000 0.000 0.318 244 R C 0.190 176.465 176.300 -0.042 0.000 1.031 244 R CA 0.388 56.459 56.100 -0.049 0.000 0.905 244 R CB 0.865 31.137 30.300 -0.048 0.000 1.050 244 R HN 0.902 nan 8.270 nan 0.000 0.456 245 S N 3.443 119.172 115.700 0.048 0.000 2.477 245 S HA -0.068 4.402 4.470 0.000 0.000 0.162 245 S C 1.145 175.764 174.600 0.031 0.000 0.909 245 S CA 0.525 58.757 58.200 0.053 0.000 1.147 245 S CB -0.318 62.961 63.200 0.132 0.000 0.740 245 S HN 0.798 nan 8.310 nan 0.000 0.478 246 D N 0.535 120.954 120.400 0.031 0.000 2.146 246 D HA 0.223 4.863 4.640 0.000 0.000 0.209 246 D C 1.592 177.872 176.300 -0.032 0.000 0.973 246 D CA 1.565 55.552 54.000 -0.021 0.000 0.860 246 D CB -0.749 40.004 40.800 -0.078 0.000 1.015 246 D HN 0.756 nan 8.370 nan 0.000 0.465 247 G N -0.059 108.716 108.800 -0.042 0.000 3.609 247 G HA2 -0.129 3.831 3.960 0.000 0.000 0.219 247 G HA3 -0.129 3.831 3.960 0.000 0.000 0.219 247 G C 1.110 175.994 174.900 -0.028 0.000 0.951 247 G CA -0.004 45.082 45.100 -0.023 0.000 0.867 247 G HN 0.250 nan 8.290 nan 0.000 0.478 248 K N 0.297 120.626 120.400 -0.118 0.000 2.404 248 K HA 0.209 4.529 4.320 0.000 0.000 0.194 248 K C 0.082 176.654 176.600 -0.046 0.000 1.023 248 K CA 0.111 56.326 56.287 -0.119 0.000 1.094 248 K CB 0.055 32.430 32.500 -0.208 0.000 0.841 248 K HN 0.533 nan 8.250 nan 0.000 0.523 249 H N 0.839 119.927 119.070 0.029 0.000 2.412 249 H HA 0.156 4.712 4.556 0.000 0.000 0.239 249 H C -1.005 174.337 175.328 0.023 0.000 1.388 249 H CA -0.745 55.307 56.048 0.007 0.000 1.148 249 H CB 0.429 30.210 29.762 0.032 0.000 1.637 249 H HN -0.032 nan 8.280 nan 0.000 0.542 250 D N 1.054 121.535 120.400 0.134 0.000 2.249 250 D HA 0.072 4.712 4.640 0.000 0.000 0.246 250 D C -0.195 176.148 176.300 0.073 0.000 1.114 250 D CA -0.140 53.952 54.000 0.153 0.000 0.854 250 D CB 1.027 41.922 40.800 0.157 0.000 1.132 250 D HN 0.222 nan 8.370 nan 0.000 0.461 251 F N 2.849 122.874 119.950 0.125 0.000 2.411 251 F HA 0.314 4.841 4.527 0.000 0.000 0.355 251 F C 1.016 176.860 175.800 0.073 0.000 1.117 251 F CA -0.241 57.804 58.000 0.076 0.000 1.139 251 F CB 0.703 39.745 39.000 0.070 0.000 1.120 251 F HN -0.139 nan 8.300 nan 0.000 0.493 252 R N 3.672 124.288 120.500 0.193 0.000 2.673 252 R HA 0.541 4.881 4.340 0.000 0.000 0.281 252 R C -1.673 174.769 176.300 0.237 0.000 0.991 252 R CA -1.174 55.068 56.100 0.236 0.000 0.896 252 R CB 2.156 32.660 30.300 0.341 0.000 1.201 252 R HN 0.469 nan 8.270 nan 0.000 0.457 253 L N 1.840 123.195 121.223 0.220 0.000 2.272 253 L HA 0.374 4.714 4.340 0.000 0.000 0.289 253 L C 0.623 177.743 176.870 0.417 0.000 1.032 253 L CA -0.167 54.799 54.840 0.209 0.000 0.810 253 L CB 0.829 42.939 42.059 0.086 0.000 1.205 253 L HN 0.562 nan 8.230 nan 0.000 0.422 254 W N 0.644 122.033 121.300 0.148 0.000 2.905 254 W HA 0.075 4.735 4.660 0.000 0.000 0.251 254 W C 0.493 177.184 176.519 0.286 0.000 1.305 254 W CA -0.629 56.919 57.345 0.338 0.000 1.465 254 W CB -1.008 28.737 29.460 0.476 0.000 1.122 254 W HN 0.497 nan 8.180 nan 0.000 0.659 255 N N -0.372 118.453 118.700 0.209 0.000 2.525 255 N HA 0.061 4.801 4.740 0.000 0.000 0.271 255 N C 1.168 176.507 175.510 -0.285 0.000 1.194 255 N CA 0.422 53.257 53.050 -0.359 0.000 0.964 255 N CB 0.818 39.181 38.487 -0.206 0.000 1.126 255 N HN -0.274 nan 8.380 nan 0.000 0.452 256 S N 0.320 115.769 115.700 -0.420 0.000 2.368 256 S HA -0.168 4.302 4.470 0.000 0.000 0.225 256 S C 0.431 174.908 174.600 -0.205 0.000 1.030 256 S CA 1.161 59.225 58.200 -0.227 0.000 0.999 256 S CB -0.443 62.642 63.200 -0.192 0.000 0.844 256 S HN 0.803 nan 8.310 nan 0.000 0.459 257 Q N -1.260 118.401 119.800 -0.232 0.000 2.482 257 Q HA 0.470 4.810 4.340 0.000 0.000 0.286 257 Q C -0.224 175.642 176.000 -0.223 0.000 1.007 257 Q CA -0.961 54.708 55.803 -0.222 0.000 0.801 257 Q CB 0.616 29.244 28.738 -0.183 0.000 1.455 257 Q HN -0.124 nan 8.270 nan 0.000 0.398 258 L N 0.462 121.573 121.223 -0.187 0.000 1.957 258 L HA -0.102 4.238 4.340 0.000 0.000 0.228 258 L C 0.853 177.577 176.870 -0.244 0.000 1.086 258 L CA 1.956 56.709 54.840 -0.146 0.000 0.796 258 L CB -0.788 41.222 42.059 -0.082 0.000 0.900 258 L HN 0.693 nan 8.230 nan 0.000 0.439 259 I N -1.283 119.055 120.570 -0.387 0.000 2.396 259 I HA 0.451 4.622 4.170 0.000 0.000 0.292 259 I C 0.061 175.546 176.117 -1.054 0.000 0.999 259 I CA 0.016 60.905 61.300 -0.684 0.000 1.310 259 I CB 1.326 38.834 38.000 -0.821 0.000 1.404 259 I HN 0.129 nan 8.210 nan 0.000 0.496 260 R N 4.078 124.016 120.500 -0.937 0.000 2.644 260 R HA 0.419 4.759 4.340 0.000 0.000 0.257 260 R C -1.969 174.052 176.300 -0.466 0.000 1.082 260 R CA -0.792 54.877 56.100 -0.718 0.000 0.927 260 R CB 0.689 30.776 30.300 -0.353 0.000 1.258 260 R HN 0.331 nan 8.270 nan 0.000 0.459 261 Y N 1.565 121.821 120.300 -0.073 0.000 2.301 261 Y HA 0.628 5.178 4.550 0.000 0.000 0.325 261 Y C 1.047 176.927 175.900 -0.034 0.000 1.203 261 Y CA -0.053 58.058 58.100 0.018 0.000 1.255 261 Y CB 1.134 39.704 38.460 0.183 0.000 1.232 261 Y HN 0.738 nan 8.280 nan 0.000 0.501 262 A N 1.131 124.011 122.820 0.100 0.000 2.346 262 A HA 0.657 4.977 4.320 0.000 0.000 0.252 262 A C 0.422 177.786 177.584 -0.368 0.000 1.089 262 A CA 0.240 52.159 52.037 -0.198 0.000 0.797 262 A CB -0.195 18.644 19.000 -0.270 0.000 1.047 262 A HN 0.955 nan 8.150 nan 0.000 0.494 263 G N 0.017 108.487 108.800 -0.551 0.000 2.719 263 G HA2 0.566 4.526 3.960 0.000 0.000 0.284 263 G HA3 0.566 4.526 3.960 0.000 0.000 0.284 263 G C -1.329 173.332 174.900 -0.398 0.000 1.488 263 G CA -0.314 44.539 45.100 -0.412 0.000 1.139 263 G HN 0.554 nan 8.290 nan 0.000 0.552 264 Y N 0.241 120.585 120.300 0.074 0.000 2.393 264 Y HA 0.577 5.127 4.550 0.000 0.000 0.341 264 Y C 0.394 176.355 175.900 0.102 0.000 0.988 264 Y CA -1.302 56.866 58.100 0.113 0.000 1.078 264 Y CB 2.059 40.642 38.460 0.204 0.000 1.203 264 Y HN 0.502 nan 8.280 nan 0.000 0.453 265 Q N 3.738 123.684 119.800 0.243 0.000 2.307 265 Q HA 0.293 4.633 4.340 0.000 0.000 0.259 265 Q C -0.645 175.450 176.000 0.159 0.000 0.998 265 Q CA -0.611 55.285 55.803 0.155 0.000 0.923 265 Q CB 0.521 29.323 28.738 0.106 0.000 1.196 265 Q HN 0.585 nan 8.270 nan 0.000 0.416 266 M N 5.346 125.019 119.600 0.123 0.000 2.202 266 M HA 0.143 4.623 4.480 0.000 0.000 0.316 266 M C -1.435 174.882 176.300 0.027 0.000 1.138 266 M CA -2.232 53.108 55.300 0.066 0.000 1.151 266 M CB -0.247 32.381 32.600 0.047 0.000 1.422 266 M HN 0.546 nan 8.290 nan 0.000 0.471 267 P HA -0.154 nan 4.420 nan 0.000 0.216 267 P C 0.308 177.603 177.300 -0.008 0.000 1.153 267 P CA 1.428 64.517 63.100 -0.019 0.000 0.848 267 P CB -0.284 31.384 31.700 -0.053 0.000 0.787 268 D N -0.684 119.710 120.400 -0.010 0.000 2.490 268 D HA 0.023 4.663 4.640 0.000 0.000 0.255 268 D C 1.341 177.647 176.300 0.009 0.000 1.248 268 D CA 0.666 54.665 54.000 -0.003 0.000 0.887 268 D CB -1.003 39.793 40.800 -0.007 0.000 0.978 268 D HN 0.290 nan 8.370 nan 0.000 0.491 269 G N 0.955 109.764 108.800 0.015 0.000 2.353 269 G HA2 -0.396 3.564 3.960 0.000 0.000 0.258 269 G HA3 -0.396 3.564 3.960 0.000 0.000 0.258 269 G C 0.785 175.703 174.900 0.030 0.000 1.013 269 G CA 1.077 46.190 45.100 0.022 0.000 0.622 269 G HN 0.735 nan 8.290 nan 0.000 0.535 270 T N -0.929 113.643 114.554 0.030 0.000 2.652 270 T HA 0.613 4.963 4.350 0.000 0.000 0.319 270 T C 0.431 175.162 174.700 0.052 0.000 1.029 270 T CA 0.270 62.392 62.100 0.037 0.000 0.990 270 T CB 1.359 70.247 68.868 0.034 0.000 1.098 270 T HN 0.762 nan 8.240 nan 0.000 0.520 271 I N 0.224 120.825 120.570 0.051 0.000 2.571 271 I HA 0.409 4.579 4.170 0.000 0.000 0.289 271 I C 0.150 176.298 176.117 0.052 0.000 1.115 271 I CA -0.827 60.509 61.300 0.060 0.000 1.045 271 I CB 2.240 40.257 38.000 0.030 0.000 1.238 271 I HN 0.561 nan 8.210 nan 0.000 0.424 272 R N 2.984 123.551 120.500 0.112 0.000 2.598 272 R HA 0.718 5.059 4.340 0.000 0.000 0.279 272 R C 0.521 176.828 176.300 0.013 0.000 0.984 272 R CA 0.388 56.555 56.100 0.111 0.000 0.999 272 R CB 1.837 32.286 30.300 0.249 0.000 1.114 272 R HN 0.906 nan 8.270 nan 0.000 0.493 273 G N 1.845 110.592 108.800 -0.088 0.000 2.552 273 G HA2 -0.300 3.660 3.960 0.000 0.000 0.265 273 G HA3 -0.300 3.660 3.960 0.000 0.000 0.265 273 G C -0.706 173.784 174.900 -0.683 0.000 1.234 273 G CA 0.095 45.050 45.100 -0.242 0.000 0.944 273 G HN 0.618 nan 8.290 nan 0.000 0.568 274 D N 1.639 121.785 120.400 -0.425 0.000 2.352 274 D HA 0.575 5.215 4.640 0.000 0.000 0.245 274 D C 1.431 177.626 176.300 -0.175 0.000 1.224 274 D CA 0.819 54.609 54.000 -0.351 0.000 0.879 274 D CB 0.671 41.591 40.800 0.199 0.000 1.057 274 D HN 0.879 nan 8.370 nan 0.000 0.491 275 A N 3.821 126.529 122.820 -0.186 0.000 2.070 275 A HA -0.064 4.256 4.320 0.000 0.000 0.220 275 A C 2.068 179.658 177.584 0.010 0.000 1.159 275 A CA 1.572 53.569 52.037 -0.066 0.000 0.656 275 A CB -0.232 18.742 19.000 -0.043 0.000 0.800 275 A HN 0.609 nan 8.150 nan 0.000 0.453 276 A N -0.165 122.682 122.820 0.045 0.000 1.972 276 A HA -0.029 4.291 4.320 0.000 0.000 0.219 276 A C 1.935 179.573 177.584 0.089 0.000 1.169 276 A CA 1.891 53.986 52.037 0.097 0.000 0.635 276 A CB -0.967 18.112 19.000 0.131 0.000 0.810 276 A HN 0.811 nan 8.150 nan 0.000 0.446 277 T N -2.556 112.034 114.554 0.058 0.000 3.218 277 T HA 0.542 4.892 4.350 0.000 0.000 0.241 277 T C 0.965 175.678 174.700 0.022 0.000 0.929 277 T CA -0.249 61.883 62.100 0.053 0.000 0.979 277 T CB -0.112 68.777 68.868 0.035 0.000 1.129 277 T HN 0.230 nan 8.240 nan 0.000 0.559 278 L N 0.087 121.324 121.223 0.024 0.000 2.049 278 L HA 0.107 4.447 4.340 0.000 0.000 0.203 278 L C 2.921 179.791 176.870 0.000 0.000 1.074 278 L CA 1.356 56.198 54.840 0.003 0.000 0.749 278 L CB -0.235 41.839 42.059 0.025 0.000 0.907 278 L HN 0.467 nan 8.230 nan 0.000 0.439 279 E N -0.033 120.177 120.200 0.016 0.000 2.031 279 E HA -0.304 4.046 4.350 0.000 0.000 0.193 279 E C 2.186 178.691 176.600 -0.159 0.000 0.994 279 E CA 1.614 57.989 56.400 -0.042 0.000 0.800 279 E CB -0.199 29.508 29.700 0.011 0.000 0.752 279 E HN 0.324 nan 8.360 nan 0.000 0.447 280 F N 1.431 121.200 119.950 -0.301 0.000 2.161 280 F HA -0.216 4.311 4.527 0.000 0.000 0.300 280 F C 2.343 177.972 175.800 -0.285 0.000 1.089 280 F CA 1.981 59.737 58.000 -0.407 0.000 1.282 280 F CB -0.472 38.348 39.000 -0.300 0.000 1.010 280 F HN 0.021 nan 8.300 nan 0.000 0.485 281 T N -0.399 114.084 114.554 -0.120 0.000 2.708 281 T HA -0.262 4.088 4.350 0.000 0.000 0.266 281 T C 1.746 176.362 174.700 -0.139 0.000 1.037 281 T CA 1.579 63.574 62.100 -0.175 0.000 1.146 281 T CB -0.367 68.411 68.868 -0.149 0.000 0.865 281 T HN 0.256 nan 8.240 nan 0.000 0.435 282 Q N 0.946 120.690 119.800 -0.093 0.000 2.077 282 Q HA -0.111 4.229 4.340 0.000 0.000 0.206 282 Q C 2.136 178.072 176.000 -0.106 0.000 0.989 282 Q CA 1.429 57.208 55.803 -0.041 0.000 0.853 282 Q CB -0.894 27.827 28.738 -0.028 0.000 0.907 282 Q HN 0.445 nan 8.270 nan 0.000 0.418 283 L N -0.165 120.906 121.223 -0.252 0.000 2.021 283 L HA -0.248 4.092 4.340 0.000 0.000 0.215 283 L C 2.254 178.977 176.870 -0.244 0.000 1.074 283 L CA 2.234 56.901 54.840 -0.289 0.000 0.760 283 L CB -1.091 40.642 42.059 -0.543 0.000 0.889 283 L HN 0.459 nan 8.230 nan 0.000 0.433 284 C N -0.385 118.690 119.300 -0.375 0.000 2.413 284 C HA -0.177 4.283 4.460 0.000 0.000 0.276 284 C C 2.700 177.712 174.990 0.038 0.000 1.248 284 C CA 0.659 59.514 59.018 -0.272 0.000 1.742 284 C CB -1.125 26.322 27.740 -0.488 0.000 2.017 284 C HN 0.604 nan 8.230 nan 0.000 0.481 285 I N 1.514 122.149 120.570 0.109 0.000 2.208 285 I HA -0.161 4.009 4.170 0.000 0.000 0.245 285 I C 2.126 178.292 176.117 0.081 0.000 1.097 285 I CA 1.816 63.211 61.300 0.157 0.000 1.363 285 I CB -1.579 36.505 38.000 0.139 0.000 1.051 285 I HN 0.355 nan 8.210 nan 0.000 0.413 286 D N 1.037 121.465 120.400 0.046 0.000 2.123 286 D HA -0.141 4.499 4.640 0.000 0.000 0.196 286 D C 1.850 178.183 176.300 0.053 0.000 0.992 286 D CA 1.019 55.054 54.000 0.057 0.000 0.833 286 D CB -0.303 40.539 40.800 0.071 0.000 0.954 286 D HN 0.316 nan 8.370 nan 0.000 0.455 287 L N 0.230 121.468 121.223 0.025 0.000 2.801 287 L HA 0.202 4.542 4.340 0.000 0.000 0.250 287 L C 1.163 178.027 176.870 -0.010 0.000 1.222 287 L CA -0.023 54.804 54.840 -0.022 0.000 1.054 287 L CB -0.825 41.179 42.059 -0.092 0.000 1.330 287 L HN 0.068 nan 8.230 nan 0.000 0.426 288 G N -0.425 108.389 108.800 0.023 0.000 2.258 288 G HA2 -0.313 3.647 3.960 0.000 0.000 0.274 288 G HA3 -0.313 3.647 3.960 0.000 0.000 0.274 288 G C -0.129 174.807 174.900 0.061 0.000 1.021 288 G CA 0.015 45.129 45.100 0.022 0.000 0.798 288 G HN 0.583 nan 8.290 nan 0.000 0.507 289 W N 1.221 122.469 121.300 -0.087 0.000 2.218 289 W HA 0.605 5.265 4.660 0.000 0.000 0.326 289 W C 0.439 176.923 176.519 -0.059 0.000 1.276 289 W CA -1.163 56.132 57.345 -0.082 0.000 1.210 289 W CB 0.718 30.118 29.460 -0.100 0.000 1.143 289 W HN 0.009 nan 8.180 nan 0.000 0.563 290 K N 8.079 127.948 120.400 -0.885 0.000 2.228 290 K HA 0.130 4.450 4.320 0.000 0.000 0.284 290 K C -2.303 173.465 176.600 -1.386 0.000 1.088 290 K CA -1.539 54.239 56.287 -0.848 0.000 0.941 290 K CB -0.029 32.142 32.500 -0.549 0.000 1.158 290 K HN 0.321 nan 8.250 nan 0.000 0.438 291 P HA 0.158 nan 4.420 nan 0.000 0.275 291 P C -0.354 176.487 177.300 -0.765 0.000 1.276 291 P CA -0.316 62.193 63.100 -0.984 0.000 0.782 291 P CB 0.543 31.724 31.700 -0.865 0.000 0.851 292 R N 2.175 122.358 120.500 -0.529 0.000 2.319 292 R HA 0.107 4.447 4.340 0.000 0.000 0.204 292 R C -0.009 176.227 176.300 -0.106 0.000 0.954 292 R CA -0.339 55.635 56.100 -0.210 0.000 1.066 292 R CB -1.156 29.106 30.300 -0.062 0.000 0.991 292 R HN 0.361 nan 8.270 nan 0.000 0.486 293 Y N -0.081 119.999 120.300 -0.366 0.000 2.929 293 Y HA -0.231 4.319 4.550 0.000 0.000 0.184 293 Y C 0.962 176.790 175.900 -0.120 0.000 1.541 293 Y CA 0.865 58.615 58.100 -0.583 0.000 0.948 293 Y CB -1.415 36.754 38.460 -0.486 0.000 1.494 293 Y HN 0.348 nan 8.280 nan 0.000 0.342 294 G N 0.850 109.811 108.800 0.268 0.000 2.727 294 G HA2 0.572 4.532 3.960 0.000 0.000 0.289 294 G HA3 0.572 4.532 3.960 0.000 0.000 0.289 294 G C 0.145 175.189 174.900 0.240 0.000 1.418 294 G CA -1.056 44.187 45.100 0.237 0.000 0.818 294 G HN 0.255 nan 8.290 nan 0.000 0.486 295 R N -1.301 119.239 120.500 0.065 0.000 2.119 295 R HA 0.138 4.478 4.340 0.000 0.000 0.222 295 R C -0.125 175.809 176.300 -0.609 0.000 1.088 295 R CA 1.020 56.984 56.100 -0.228 0.000 0.984 295 R CB -0.020 30.078 30.300 -0.335 0.000 0.884 295 R HN 0.324 nan 8.270 nan 0.000 0.447 296 F N 0.924 120.856 119.950 -0.030 0.000 2.550 296 F HA 0.272 4.799 4.527 0.000 0.000 0.348 296 F C -0.978 174.827 175.800 0.009 0.000 1.219 296 F CA -1.099 56.663 58.000 -0.397 0.000 1.203 296 F CB 1.015 39.630 39.000 -0.641 0.000 1.436 296 F HN -0.301 nan 8.300 nan 0.000 0.541 297 D N 1.934 122.532 120.400 0.330 0.000 2.441 297 D HA 0.269 4.909 4.640 0.000 0.000 0.231 297 D C -0.095 176.476 176.300 0.452 0.000 1.073 297 D CA -0.175 54.071 54.000 0.409 0.000 0.850 297 D CB 2.320 43.395 40.800 0.458 0.000 1.062 297 D HN 0.001 nan 8.370 nan 0.000 0.524 298 V N 3.380 123.536 119.914 0.403 0.000 2.557 298 V HA -0.063 4.057 4.120 0.000 0.000 0.301 298 V C 1.154 177.297 176.094 0.081 0.000 1.026 298 V CA -0.043 62.365 62.300 0.182 0.000 1.137 298 V CB -0.037 31.835 31.823 0.082 0.000 0.917 298 V HN 0.375 nan 8.190 nan 0.000 0.484 299 L N 8.301 129.463 121.223 -0.103 0.000 2.467 299 L HA 0.258 4.598 4.340 0.000 0.000 0.270 299 L C -1.558 175.111 176.870 -0.336 0.000 1.205 299 L CA -1.258 53.383 54.840 -0.332 0.000 0.828 299 L CB 0.599 42.526 42.059 -0.220 0.000 1.101 299 L HN 0.493 nan 8.230 nan 0.000 0.479 300 P HA 0.078 nan 4.420 nan 0.000 0.274 300 P C -0.959 176.200 177.300 -0.234 0.000 1.246 300 P CA -0.613 62.240 63.100 -0.411 0.000 0.795 300 P CB 1.086 32.346 31.700 -0.733 0.000 1.006 301 L N 1.898 123.026 121.223 -0.158 0.000 2.276 301 L HA 0.247 4.587 4.340 0.000 0.000 0.286 301 L C -0.304 176.498 176.870 -0.114 0.000 1.061 301 L CA -0.316 54.473 54.840 -0.085 0.000 0.807 301 L CB 1.001 43.015 42.059 -0.076 0.000 1.177 301 L HN 0.083 nan 8.230 nan 0.000 0.429 302 V N 6.385 126.277 119.914 -0.037 0.000 2.384 302 V HA 0.534 4.654 4.120 0.000 0.000 0.287 302 V C -0.374 175.629 176.094 -0.153 0.000 1.020 302 V CA -0.545 61.661 62.300 -0.157 0.000 0.850 302 V CB 1.458 33.232 31.823 -0.081 0.000 0.987 302 V HN 0.493 nan 8.190 nan 0.000 0.436 303 L N 4.782 125.856 121.223 -0.248 0.000 2.371 303 L HA 0.751 5.091 4.340 0.000 0.000 0.262 303 L C -0.452 176.254 176.870 -0.274 0.000 1.006 303 L CA -0.515 54.225 54.840 -0.167 0.000 0.818 303 L CB 2.217 44.290 42.059 0.024 0.000 1.354 303 L HN 0.813 nan 8.230 nan 0.000 0.415 304 Q N 0.902 120.593 119.800 -0.181 0.000 2.271 304 Q HA 0.919 5.259 4.340 0.000 0.000 0.268 304 Q C -1.553 174.366 176.000 -0.135 0.000 1.021 304 Q CA -0.806 54.898 55.803 -0.165 0.000 0.802 304 Q CB 2.250 30.898 28.738 -0.150 0.000 1.282 304 Q HN 0.719 nan 8.270 nan 0.000 0.431 305 A N 2.315 125.012 122.820 -0.205 0.000 2.294 305 A HA 0.678 4.998 4.320 0.000 0.000 0.330 305 A C 0.010 177.172 177.584 -0.703 0.000 1.133 305 A CA 0.244 51.965 52.037 -0.526 0.000 0.836 305 A CB 0.737 19.633 19.000 -0.172 0.000 1.190 305 A HN 1.008 nan 8.150 nan 0.000 0.492 306 D N 0.065 119.621 120.400 -1.406 0.000 4.187 306 D HA -0.260 4.380 4.640 0.000 0.000 0.202 306 D C 1.338 177.479 176.300 -0.264 0.000 0.687 306 D CA 3.359 56.943 54.000 -0.694 0.000 1.000 306 D CB -1.199 39.374 40.800 -0.377 0.000 0.446 306 D HN 0.948 nan 8.370 nan 0.000 0.398 307 G N -1.034 107.741 108.800 -0.042 0.000 2.944 307 G HA2 0.188 4.148 3.960 0.000 0.000 0.223 307 G HA3 0.188 4.148 3.960 0.000 0.000 0.223 307 G C 0.134 175.110 174.900 0.127 0.000 1.071 307 G CA 0.214 45.386 45.100 0.120 0.000 0.806 307 G HN 0.319 nan 8.290 nan 0.000 0.538 308 Q N 1.588 121.405 119.800 0.029 0.000 2.410 308 Q HA 0.047 4.387 4.340 0.000 0.000 0.329 308 Q C 0.035 176.101 176.000 0.110 0.000 1.211 308 Q CA 0.610 56.429 55.803 0.027 0.000 1.015 308 Q CB 0.416 29.122 28.738 -0.052 0.000 1.276 308 Q HN 0.281 nan 8.270 nan 0.000 0.436 309 D N 2.005 122.435 120.400 0.051 0.000 2.362 309 D HA 0.145 4.785 4.640 0.000 0.000 0.242 309 D C -2.099 174.074 176.300 -0.212 0.000 1.132 309 D CA -1.068 52.950 54.000 0.030 0.000 0.907 309 D CB 0.139 40.811 40.800 -0.213 0.000 1.195 309 D HN 0.333 nan 8.370 nan 0.000 0.429 310 P HA 0.069 nan 4.420 nan 0.000 0.267 310 P C -0.683 176.303 177.300 -0.523 0.000 1.205 310 P CA 0.118 62.822 63.100 -0.660 0.000 0.765 310 P CB 0.837 31.777 31.700 -1.268 0.000 0.828 311 E N 1.543 121.442 120.200 -0.503 0.000 2.151 311 E HA 0.308 4.658 4.350 0.000 0.000 0.275 311 E C -0.463 175.638 176.600 -0.831 0.000 0.936 311 E CA -1.109 54.914 56.400 -0.629 0.000 0.777 311 E CB 1.662 30.982 29.700 -0.635 0.000 1.108 311 E HN 0.217 nan 8.360 nan 0.000 0.401 312 V N 4.326 123.793 119.914 -0.746 0.000 2.488 312 V HA 0.189 4.309 4.120 0.000 0.000 0.277 312 V C -0.601 175.037 176.094 -0.760 0.000 1.046 312 V CA -0.019 61.924 62.300 -0.596 0.000 0.986 312 V CB -0.213 31.417 31.823 -0.323 0.000 0.989 312 V HN 0.501 nan 8.190 nan 0.000 0.475 313 F N 2.601 122.342 119.950 -0.348 0.000 2.496 313 F HA 0.432 4.959 4.527 0.000 0.000 0.341 313 F C 0.163 175.710 175.800 -0.420 0.000 1.134 313 F CA -1.256 56.410 58.000 -0.557 0.000 0.968 313 F CB 1.600 39.835 39.000 -1.275 0.000 1.205 313 F HN 0.505 nan 8.300 nan 0.000 0.436 314 E N 3.797 124.017 120.200 0.034 0.000 2.366 314 E HA 0.228 4.578 4.350 0.000 0.000 0.266 314 E C -0.468 176.226 176.600 0.157 0.000 1.015 314 E CA 0.110 56.590 56.400 0.133 0.000 0.906 314 E CB 0.403 30.238 29.700 0.225 0.000 0.979 314 E HN 0.501 nan 8.360 nan 0.000 0.443 315 I N 7.072 127.726 120.570 0.139 0.000 2.471 315 I HA 0.151 4.321 4.170 0.000 0.000 0.286 315 I C -1.791 174.444 176.117 0.196 0.000 1.079 315 I CA -2.024 59.395 61.300 0.197 0.000 1.398 315 I CB 0.622 38.687 38.000 0.108 0.000 1.403 315 I HN 0.451 nan 8.210 nan 0.000 0.530 316 P HA 0.057 nan 4.420 nan 0.000 0.260 316 P C -1.973 175.386 177.300 0.099 0.000 1.207 316 P CA -0.775 62.409 63.100 0.140 0.000 0.780 316 P CB 0.160 31.919 31.700 0.098 0.000 0.789 317 P HA -0.224 nan 4.420 nan 0.000 0.217 317 P C 0.808 178.141 177.300 0.056 0.000 1.148 317 P CA 1.423 64.570 63.100 0.079 0.000 0.834 317 P CB -0.049 31.700 31.700 0.082 0.000 0.783 318 D N -1.311 119.116 120.400 0.045 0.000 2.351 318 D HA -0.063 4.577 4.640 0.000 0.000 0.216 318 D C 1.664 177.977 176.300 0.022 0.000 0.968 318 D CA 0.835 54.852 54.000 0.028 0.000 0.899 318 D CB -0.045 40.766 40.800 0.019 0.000 0.907 318 D HN 0.296 nan 8.370 nan 0.000 0.514 319 L N 0.188 121.430 121.223 0.031 0.000 2.463 319 L HA 0.055 4.395 4.340 0.000 0.000 0.219 319 L C 0.642 177.525 176.870 0.022 0.000 1.088 319 L CA 0.141 54.996 54.840 0.026 0.000 0.849 319 L CB 0.691 42.772 42.059 0.036 0.000 1.012 319 L HN -0.232 nan 8.230 nan 0.000 0.468 320 V N 2.518 122.448 119.914 0.028 0.000 2.313 320 V HA 0.078 4.198 4.120 0.000 0.000 0.252 320 V C 0.140 176.252 176.094 0.030 0.000 1.112 320 V CA -0.373 61.940 62.300 0.021 0.000 0.984 320 V CB 0.623 32.461 31.823 0.026 0.000 1.157 320 V HN 0.069 nan 8.190 nan 0.000 0.493 321 L N 5.486 126.723 121.223 0.023 0.000 2.380 321 L HA 0.435 4.775 4.340 0.000 0.000 0.273 321 L C 0.167 177.047 176.870 0.017 0.000 1.138 321 L CA 0.786 55.630 54.840 0.007 0.000 0.832 321 L CB 0.503 42.556 42.059 -0.010 0.000 1.124 321 L HN 0.643 nan 8.230 nan 0.000 0.454 322 E N 3.245 123.435 120.200 -0.017 0.000 2.343 322 E HA 0.576 4.926 4.350 0.000 0.000 0.270 322 E C -1.525 174.997 176.600 -0.129 0.000 0.895 322 E CA -1.015 55.369 56.400 -0.026 0.000 0.767 322 E CB 2.482 32.199 29.700 0.028 0.000 1.248 322 E HN 0.373 nan 8.360 nan 0.000 0.440 323 V N 1.796 121.603 119.914 -0.179 0.000 2.409 323 V HA 0.254 4.375 4.120 0.000 0.000 0.291 323 V C -0.233 175.798 176.094 -0.105 0.000 1.020 323 V CA -0.825 61.315 62.300 -0.267 0.000 0.848 323 V CB 1.493 32.906 31.823 -0.684 0.000 0.990 323 V HN 0.790 nan 8.190 nan 0.000 0.430 324 T N 4.092 118.594 114.554 -0.087 0.000 2.761 324 T HA 0.462 4.812 4.350 0.000 0.000 0.296 324 T C 0.010 174.724 174.700 0.022 0.000 0.934 324 T CA -0.753 61.321 62.100 -0.044 0.000 1.091 324 T CB 0.619 69.460 68.868 -0.044 0.000 0.896 324 T HN 0.312 nan 8.240 nan 0.000 0.515 325 M N 4.284 123.935 119.600 0.084 0.000 2.217 325 M HA 0.250 4.730 4.480 0.000 0.000 0.352 325 M C 0.505 176.975 176.300 0.284 0.000 1.376 325 M CA 0.159 55.590 55.300 0.219 0.000 1.107 325 M CB -0.579 32.214 32.600 0.322 0.000 1.723 325 M HN 0.929 nan 8.290 nan 0.000 0.461 326 E N 2.018 122.386 120.200 0.281 0.000 2.321 326 E HA 0.296 4.646 4.350 0.000 0.000 0.281 326 E C -1.242 175.443 176.600 0.140 0.000 0.910 326 E CA -0.824 55.754 56.400 0.296 0.000 0.770 326 E CB 1.441 31.247 29.700 0.177 0.000 1.225 326 E HN 0.590 nan 8.360 nan 0.000 0.417 327 H N 4.096 123.093 119.070 -0.122 0.000 2.652 327 H HA 0.155 4.711 4.556 0.000 0.000 0.349 327 H C -1.565 173.626 175.328 -0.229 0.000 1.099 327 H CA -1.738 54.083 56.048 -0.379 0.000 1.417 327 H CB 1.664 31.040 29.762 -0.642 0.000 1.457 327 H HN 0.487 nan 8.280 nan 0.000 0.568 328 P HA -0.018 nan 4.420 nan 0.000 0.242 328 P C 0.375 177.659 177.300 -0.027 0.000 1.197 328 P CA 0.800 63.648 63.100 -0.420 0.000 0.765 328 P CB 0.790 31.953 31.700 -0.894 0.000 0.936 329 K N -1.882 118.654 120.400 0.226 0.000 2.603 329 K HA 0.130 4.450 4.320 0.000 0.000 0.205 329 K C 0.106 176.756 176.600 0.084 0.000 1.500 329 K CA 0.363 56.738 56.287 0.145 0.000 1.059 329 K CB 0.201 32.825 32.500 0.207 0.000 1.416 329 K HN 0.069 nan 8.250 nan 0.000 0.562 330 Y N 3.503 123.516 120.300 -0.478 0.000 2.691 330 Y HA 0.199 4.749 4.550 0.000 0.000 0.338 330 Y C 1.165 176.729 175.900 -0.560 0.000 1.148 330 Y CA -0.877 56.813 58.100 -0.684 0.000 1.430 330 Y CB 0.283 37.969 38.460 -1.290 0.000 1.303 330 Y HN -0.060 nan 8.280 nan 0.000 0.499 331 E N 1.660 121.799 120.200 -0.100 0.000 2.331 331 E HA -0.210 4.140 4.350 0.000 0.000 0.199 331 E C 1.737 178.376 176.600 0.065 0.000 1.008 331 E CA 0.812 57.218 56.400 0.010 0.000 0.843 331 E CB -0.215 29.523 29.700 0.064 0.000 0.761 331 E HN 0.866 nan 8.360 nan 0.000 0.507 332 W N -0.853 120.541 121.300 0.157 0.000 2.678 332 W HA 0.012 4.672 4.660 0.000 0.000 0.256 332 W C 1.558 178.167 176.519 0.151 0.000 1.280 332 W CA -0.271 57.147 57.345 0.122 0.000 1.345 332 W CB -1.156 28.356 29.460 0.087 0.000 1.118 332 W HN -0.089 nan 8.180 nan 0.000 0.629 333 F N 2.735 122.430 119.950 -0.426 0.000 2.161 333 F HA -0.246 4.281 4.527 0.000 0.000 0.300 333 F C 2.960 178.729 175.800 -0.051 0.000 1.089 333 F CA 2.745 60.544 58.000 -0.336 0.000 1.282 333 F CB -0.594 38.123 39.000 -0.472 0.000 1.010 333 F HN -0.077 nan 8.300 nan 0.000 0.485 334 Q N 0.319 120.178 119.800 0.100 0.000 2.170 334 Q HA -0.234 4.106 4.340 0.000 0.000 0.203 334 Q C 1.826 177.836 176.000 0.016 0.000 0.976 334 Q CA 1.797 57.638 55.803 0.063 0.000 0.858 334 Q CB -0.234 28.556 28.738 0.086 0.000 0.907 334 Q HN 0.542 nan 8.270 nan 0.000 0.433 335 E N -0.075 120.162 120.200 0.062 0.000 2.401 335 E HA -0.170 4.180 4.350 0.000 0.000 0.199 335 E C 1.451 178.063 176.600 0.022 0.000 1.023 335 E CA 0.356 56.798 56.400 0.070 0.000 0.859 335 E CB 0.106 29.888 29.700 0.138 0.000 0.780 335 E HN 0.292 nan 8.360 nan 0.000 0.523 336 L N -0.377 120.805 121.223 -0.068 0.000 2.478 336 L HA 0.060 4.400 4.340 0.000 0.000 0.223 336 L C 1.452 178.276 176.870 -0.077 0.000 1.140 336 L CA 1.057 55.821 54.840 -0.127 0.000 0.842 336 L CB -0.519 41.319 42.059 -0.369 0.000 0.953 336 L HN 0.184 nan 8.230 nan 0.000 0.452 337 G N 0.129 108.896 108.800 -0.054 0.000 2.295 337 G HA2 -0.278 3.682 3.960 0.000 0.000 0.287 337 G HA3 -0.278 3.682 3.960 0.000 0.000 0.287 337 G C 0.173 175.077 174.900 0.006 0.000 1.055 337 G CA 0.198 45.300 45.100 0.003 0.000 0.922 337 G HN 0.273 nan 8.290 nan 0.000 0.503 338 L N -0.747 120.409 121.223 -0.112 0.000 2.360 338 L HA 0.834 5.174 4.340 0.000 0.000 0.271 338 L C 0.625 177.350 176.870 -0.241 0.000 1.057 338 L CA -0.536 54.200 54.840 -0.173 0.000 0.803 338 L CB 1.752 43.620 42.059 -0.320 0.000 1.207 338 L HN 0.565 nan 8.230 nan 0.000 0.445 339 K N 0.696 120.840 120.400 -0.426 0.000 2.642 339 K HA 0.440 4.760 4.320 0.000 0.000 0.290 339 K C -2.151 174.442 176.600 -0.012 0.000 1.006 339 K CA -1.073 55.058 56.287 -0.259 0.000 0.869 339 K CB 1.887 34.142 32.500 -0.409 0.000 1.499 339 K HN 0.601 nan 8.250 nan 0.000 0.403 340 W N 2.044 123.303 121.300 -0.068 0.000 3.137 340 W HA 0.361 5.021 4.660 0.000 0.000 0.324 340 W C -1.272 175.301 176.519 0.090 0.000 1.253 340 W CA -0.864 56.519 57.345 0.063 0.000 1.183 340 W CB 1.633 31.003 29.460 -0.150 0.000 1.424 340 W HN 0.686 nan 8.180 nan 0.000 0.566 341 Y N 1.052 121.227 120.300 -0.209 0.000 2.346 341 Y HA 0.500 5.050 4.550 0.000 0.000 0.330 341 Y C 0.788 176.829 175.900 0.235 0.000 1.178 341 Y CA 0.034 58.080 58.100 -0.091 0.000 1.331 341 Y CB 0.246 38.521 38.460 -0.308 0.000 1.253 341 Y HN 0.351 nan 8.280 nan 0.000 0.529 342 A N 2.916 125.918 122.820 0.303 0.000 2.119 342 A HA 0.095 4.415 4.320 0.000 0.000 0.216 342 A C 0.374 178.255 177.584 0.495 0.000 1.152 342 A CA 0.222 52.492 52.037 0.387 0.000 0.708 342 A CB -0.246 18.819 19.000 0.108 0.000 0.805 342 A HN 0.651 nan 8.150 nan 0.000 0.460 343 L N 1.728 123.197 121.223 0.410 0.000 2.276 343 L HA 0.421 4.761 4.340 0.000 0.000 0.286 343 L C -2.568 174.414 176.870 0.187 0.000 1.024 343 L CA -2.238 52.742 54.840 0.233 0.000 0.826 343 L CB 1.672 43.781 42.059 0.083 0.000 1.211 343 L HN -0.059 nan 8.230 nan 0.000 0.422 344 P HA 0.327 nan 4.420 nan 0.000 0.273 344 P C -1.355 175.799 177.300 -0.243 0.000 1.531 344 P CA -0.313 62.575 63.100 -0.354 0.000 1.027 344 P CB 1.124 32.246 31.700 -0.964 0.000 1.387 345 A N 4.514 127.218 122.820 -0.194 0.000 2.483 345 A HA 0.399 4.719 4.320 0.000 0.000 0.308 345 A C -0.038 177.320 177.584 -0.376 0.000 1.291 345 A CA -0.671 51.207 52.037 -0.265 0.000 0.774 345 A CB 0.743 19.641 19.000 -0.171 0.000 1.134 345 A HN 0.271 nan 8.150 nan 0.000 0.471 346 V N 2.410 121.938 119.914 -0.644 0.000 2.540 346 V HA 0.224 4.344 4.120 0.000 0.000 0.297 346 V C 1.354 177.017 176.094 -0.717 0.000 1.024 346 V CA 1.129 62.990 62.300 -0.732 0.000 1.105 346 V CB 0.532 31.762 31.823 -0.989 0.000 0.938 346 V HN 1.026 nan 8.190 nan 0.000 0.482 347 A N 4.702 127.290 122.820 -0.387 0.000 1.944 347 A HA 0.030 4.350 4.320 0.000 0.000 0.209 347 A C 1.636 179.142 177.584 -0.131 0.000 1.328 347 A CA 0.619 52.523 52.037 -0.221 0.000 0.693 347 A CB -0.362 18.562 19.000 -0.126 0.000 0.994 347 A HN 0.905 nan 8.150 nan 0.000 0.485 348 N N -0.352 118.283 118.700 -0.108 0.000 2.601 348 N HA 0.043 4.783 4.740 0.000 0.000 0.201 348 N C 0.118 175.619 175.510 -0.015 0.000 1.355 348 N CA 0.005 53.035 53.050 -0.034 0.000 0.880 348 N CB -0.199 38.271 38.487 -0.029 0.000 1.071 348 N HN 0.430 nan 8.380 nan 0.000 0.454 349 M N 1.137 120.729 119.600 -0.013 0.000 2.478 349 M HA 0.335 4.815 4.480 0.000 0.000 0.327 349 M C -0.537 175.889 176.300 0.210 0.000 1.187 349 M CA -0.859 54.488 55.300 0.080 0.000 1.022 349 M CB 2.532 35.182 32.600 0.083 0.000 1.629 349 M HN 0.109 nan 8.290 nan 0.000 0.461 350 L N 3.119 124.500 121.223 0.264 0.000 2.307 350 L HA 0.521 4.861 4.340 0.000 0.000 0.284 350 L C -1.383 175.711 176.870 0.373 0.000 1.023 350 L CA -0.972 54.050 54.840 0.305 0.000 0.810 350 L CB 1.202 43.410 42.059 0.250 0.000 1.231 350 L HN 0.586 nan 8.230 nan 0.000 0.423 351 L N 5.332 126.767 121.223 0.355 0.000 2.257 351 L HA 0.437 4.777 4.340 0.000 0.000 0.290 351 L C -0.333 176.696 176.870 0.265 0.000 1.044 351 L CA 0.286 55.254 54.840 0.214 0.000 0.810 351 L CB 1.028 43.166 42.059 0.131 0.000 1.193 351 L HN 0.627 nan 8.230 nan 0.000 0.425 352 E N 4.737 125.062 120.200 0.209 0.000 2.191 352 E HA 0.543 4.893 4.350 0.000 0.000 0.278 352 E C -1.832 174.810 176.600 0.071 0.000 0.972 352 E CA -0.375 56.131 56.400 0.177 0.000 0.804 352 E CB 1.934 31.771 29.700 0.228 0.000 1.110 352 E HN 0.539 nan 8.360 nan 0.000 0.394 353 V N 2.684 122.609 119.914 0.018 0.000 3.000 353 V HA 0.455 4.575 4.120 0.000 0.000 0.300 353 V C 0.301 176.305 176.094 -0.151 0.000 1.251 353 V CA 0.340 62.545 62.300 -0.158 0.000 0.972 353 V CB 1.659 33.306 31.823 -0.293 0.000 1.065 353 V HN 0.881 nan 8.190 nan 0.000 0.431 354 G N 3.833 112.528 108.800 -0.175 0.000 2.450 354 G HA2 0.062 4.022 3.960 0.000 0.000 0.302 354 G HA3 0.062 4.022 3.960 0.000 0.000 0.302 354 G C 1.646 176.715 174.900 0.282 0.000 0.957 354 G CA 1.816 47.015 45.100 0.166 0.000 1.005 354 G HN 2.718 nan 8.290 nan 0.000 0.514 355 G N -1.927 106.978 108.800 0.175 0.000 2.363 355 G HA2 -0.249 3.712 3.960 0.000 0.000 0.238 355 G HA3 -0.249 3.712 3.960 0.000 0.000 0.238 355 G C 0.508 175.478 174.900 0.116 0.000 1.062 355 G CA 0.528 45.779 45.100 0.251 0.000 0.629 355 G HN 1.203 nan 8.290 nan 0.000 0.514 356 L N 2.188 123.434 121.223 0.038 0.000 2.399 356 L HA 0.643 4.983 4.340 0.000 0.000 0.266 356 L C 0.408 177.163 176.870 -0.193 0.000 1.114 356 L CA -0.018 54.734 54.840 -0.146 0.000 0.804 356 L CB 1.121 42.975 42.059 -0.341 0.000 1.146 356 L HN 0.667 nan 8.230 nan 0.000 0.451 357 E N 2.349 122.372 120.200 -0.295 0.000 2.272 357 E HA 0.401 4.751 4.350 0.000 0.000 0.269 357 E C -1.791 174.624 176.600 -0.307 0.000 0.877 357 E CA -0.635 55.664 56.400 -0.169 0.000 0.755 357 E CB 1.521 31.189 29.700 -0.053 0.000 1.192 357 E HN 0.244 nan 8.360 nan 0.000 0.422 358 F N 2.777 122.756 119.950 0.049 0.000 2.347 358 F HA 0.299 4.826 4.527 0.000 0.000 0.366 358 F C -1.603 174.276 175.800 0.132 0.000 1.107 358 F CA -2.592 55.460 58.000 0.086 0.000 1.058 358 F CB 1.712 40.752 39.000 0.068 0.000 1.236 358 F HN 0.366 nan 8.300 nan 0.000 0.456 359 P HA 0.033 nan 4.420 nan 0.000 0.242 359 P C -0.087 177.360 177.300 0.245 0.000 1.197 359 P CA 0.569 63.805 63.100 0.226 0.000 0.765 359 P CB 0.540 32.346 31.700 0.178 0.000 0.936 360 A N 0.413 123.417 122.820 0.308 0.000 2.457 360 A HA 0.540 4.860 4.320 0.000 0.000 0.283 360 A C -0.185 177.641 177.584 0.402 0.000 1.166 360 A CA -0.431 51.779 52.037 0.290 0.000 0.740 360 A CB 0.210 19.338 19.000 0.214 0.000 1.181 360 A HN 0.292 nan 8.150 nan 0.000 0.446 361 C N 1.158 120.648 119.300 0.317 0.000 3.166 361 C HA 0.492 4.952 4.460 0.000 0.000 0.277 361 C C -3.071 172.030 174.990 0.185 0.000 0.984 361 C CA -1.508 57.670 59.018 0.266 0.000 1.142 361 C CB -0.078 27.776 27.740 0.190 0.000 1.721 361 C HN 0.561 nan 8.230 nan 0.000 0.628 362 P HA 0.369 nan 4.420 nan 0.000 0.266 362 P C -0.511 176.765 177.300 -0.040 0.000 1.195 362 P CA 0.849 63.913 63.100 -0.061 0.000 0.768 362 P CB 0.583 32.306 31.700 0.038 0.000 0.838 363 F N -0.036 119.854 119.950 -0.100 0.000 2.675 363 F HA 0.731 5.258 4.527 0.000 0.000 0.324 363 F C -0.643 175.066 175.800 -0.152 0.000 1.106 363 F CA -1.106 56.806 58.000 -0.146 0.000 0.970 363 F CB 1.535 40.282 39.000 -0.422 0.000 1.385 363 F HN 0.389 nan 8.300 nan 0.000 0.489 364 N N -0.619 118.104 118.700 0.038 0.000 2.859 364 N HA 0.626 5.366 4.740 0.000 0.000 0.250 364 N C -1.385 173.997 175.510 -0.212 0.000 1.341 364 N CA -0.305 52.669 53.050 -0.127 0.000 0.881 364 N CB 1.638 40.035 38.487 -0.150 0.000 1.516 364 N HN 1.142 nan 8.380 nan 0.000 0.503 365 G N -0.813 107.836 108.800 -0.252 0.000 3.214 365 G HA2 0.700 4.660 3.960 0.000 0.000 0.188 365 G HA3 0.700 4.660 3.960 0.000 0.000 0.188 365 G C -1.810 173.027 174.900 -0.104 0.000 1.126 365 G CA -0.668 44.227 45.100 -0.340 0.000 0.796 365 G HN 0.698 nan 8.290 nan 0.000 0.631 366 W N -1.427 119.835 121.300 -0.064 0.000 2.882 366 W HA 0.817 5.477 4.660 0.000 0.000 0.345 366 W C -1.343 175.151 176.519 -0.043 0.000 1.125 366 W CA -2.172 55.158 57.345 -0.025 0.000 1.167 366 W CB 0.389 29.878 29.460 0.049 0.000 1.431 366 W HN 0.431 nan 8.180 nan 0.000 0.543 367 Y N 2.321 122.793 120.300 0.286 0.000 2.426 367 Y HA 0.222 4.772 4.550 0.000 0.000 0.344 367 Y C 0.733 176.667 175.900 0.057 0.000 1.256 367 Y CA -0.240 57.899 58.100 0.065 0.000 1.451 367 Y CB 0.878 39.271 38.460 -0.111 0.000 1.342 367 Y HN 0.436 nan 8.280 nan 0.000 0.600 368 M N 2.167 121.879 119.600 0.187 0.000 2.190 368 M HA 0.343 4.823 4.480 0.000 0.000 0.312 368 M C 1.027 177.274 176.300 -0.089 0.000 0.990 368 M CA -0.232 55.103 55.300 0.058 0.000 0.927 368 M CB 1.303 33.922 32.600 0.032 0.000 1.571 368 M HN 0.854 nan 8.290 nan 0.000 0.427 369 G N 2.203 110.909 108.800 -0.158 0.000 2.830 369 G HA2 -0.427 3.533 3.960 0.000 0.000 0.230 369 G HA3 -0.427 3.533 3.960 0.000 0.000 0.230 369 G C 1.128 175.831 174.900 -0.327 0.000 1.172 369 G CA 2.418 47.356 45.100 -0.270 0.000 0.764 369 G HN 0.896 nan 8.290 nan 0.000 0.640 370 T N -0.805 113.564 114.554 -0.308 0.000 2.760 370 T HA -0.151 4.199 4.350 0.000 0.000 0.269 370 T C 1.944 176.437 174.700 -0.345 0.000 1.047 370 T CA 1.974 63.847 62.100 -0.377 0.000 1.139 370 T CB -0.446 68.135 68.868 -0.478 0.000 0.855 370 T HN 0.629 nan 8.240 nan 0.000 0.471 371 E N 0.957 120.983 120.200 -0.290 0.000 2.058 371 E HA -0.072 4.278 4.350 0.000 0.000 0.194 371 E C 2.213 178.536 176.600 -0.462 0.000 0.997 371 E CA 1.634 57.883 56.400 -0.251 0.000 0.801 371 E CB -0.336 29.361 29.700 -0.005 0.000 0.746 371 E HN 0.607 nan 8.360 nan 0.000 0.450 372 I N 0.446 120.580 120.570 -0.727 0.000 2.206 372 I HA -0.088 4.082 4.170 0.000 0.000 0.239 372 I C 2.655 178.134 176.117 -1.064 0.000 1.078 372 I CA 1.028 61.574 61.300 -1.257 0.000 1.367 372 I CB -0.704 36.421 38.000 -1.459 0.000 1.078 372 I HN 0.123 nan 8.210 nan 0.000 0.413 373 G N 0.832 109.263 108.800 -0.614 0.000 2.421 373 G HA2 -0.156 3.804 3.960 0.000 0.000 0.216 373 G HA3 -0.156 3.804 3.960 0.000 0.000 0.216 373 G C 1.643 176.458 174.900 -0.142 0.000 1.171 373 G CA 1.232 46.191 45.100 -0.236 0.000 0.775 373 G HN 0.235 nan 8.290 nan 0.000 0.543 374 V N 0.507 120.281 119.914 -0.233 0.000 2.341 374 V HA 0.026 4.146 4.120 0.000 0.000 0.240 374 V C 2.855 178.854 176.094 -0.158 0.000 1.035 374 V CA 1.203 63.397 62.300 -0.177 0.000 1.033 374 V CB -0.409 31.274 31.823 -0.233 0.000 0.678 374 V HN 0.142 nan 8.190 nan 0.000 0.464 375 R N 0.924 121.289 120.500 -0.224 0.000 2.065 375 R HA -0.066 4.274 4.340 0.000 0.000 0.224 375 R C 2.023 178.236 176.300 -0.145 0.000 1.161 375 R CA 1.693 57.684 56.100 -0.182 0.000 0.923 375 R CB -1.321 28.852 30.300 -0.211 0.000 0.822 375 R HN 0.471 nan 8.270 nan 0.000 0.437 376 D N 0.556 120.777 120.400 -0.298 0.000 2.133 376 D HA -0.158 4.482 4.640 0.000 0.000 0.195 376 D C 1.925 178.193 176.300 -0.054 0.000 0.997 376 D CA 1.237 55.046 54.000 -0.317 0.000 0.840 376 D CB -0.267 39.890 40.800 -1.071 0.000 0.947 376 D HN 0.104 nan 8.370 nan 0.000 0.452 377 F N 0.198 120.029 119.950 -0.198 0.000 2.270 377 F HA 0.033 4.560 4.527 0.000 0.000 0.295 377 F C 2.376 178.202 175.800 0.043 0.000 1.087 377 F CA -0.184 57.784 58.000 -0.054 0.000 1.365 377 F CB -0.623 38.311 39.000 -0.110 0.000 1.056 377 F HN 0.031 nan 8.300 nan 0.000 0.506 378 C N -1.158 118.255 119.300 0.188 0.000 2.912 378 C HA 0.180 4.640 4.460 0.000 0.000 0.274 378 C C 0.383 175.421 174.990 0.080 0.000 1.248 378 C CA -0.739 58.350 59.018 0.119 0.000 1.694 378 C CB -0.829 26.948 27.740 0.062 0.000 2.024 378 C HN 0.081 nan 8.230 nan 0.000 0.605 379 D N 1.804 122.247 120.400 0.070 0.000 2.458 379 D HA 0.076 4.716 4.640 0.000 0.000 0.243 379 D C 1.587 177.936 176.300 0.082 0.000 1.146 379 D CA 0.490 54.524 54.000 0.057 0.000 0.877 379 D CB 1.034 41.864 40.800 0.051 0.000 1.176 379 D HN 0.419 nan 8.370 nan 0.000 0.461 380 T N 0.060 114.654 114.554 0.067 0.000 2.929 380 T HA -0.242 4.108 4.350 0.000 0.000 0.271 380 T C 1.390 176.133 174.700 0.072 0.000 1.085 380 T CA 0.912 63.054 62.100 0.070 0.000 1.125 380 T CB -0.060 68.844 68.868 0.059 0.000 0.874 380 T HN 0.511 nan 8.240 nan 0.000 0.494 381 Q N 0.263 120.111 119.800 0.080 0.000 2.432 381 Q HA 0.128 4.468 4.340 0.000 0.000 0.205 381 Q C 1.286 177.332 176.000 0.077 0.000 0.945 381 Q CA 0.204 56.059 55.803 0.086 0.000 0.924 381 Q CB 0.109 28.919 28.738 0.120 0.000 1.016 381 Q HN 0.415 nan 8.270 nan 0.000 0.503 382 R N -0.066 120.488 120.500 0.091 0.000 2.702 382 R HA 0.233 4.573 4.340 0.000 0.000 0.166 382 R C 1.682 178.024 176.300 0.070 0.000 1.402 382 R CA -0.450 55.713 56.100 0.104 0.000 1.077 382 R CB -1.106 29.316 30.300 0.203 0.000 1.947 382 R HN 0.061 nan 8.270 nan 0.000 0.494 383 Y N 1.580 121.992 120.300 0.187 0.000 2.483 383 Y HA -0.149 4.401 4.550 0.000 0.000 0.291 383 Y C 0.707 176.687 175.900 0.134 0.000 1.143 383 Y CA 1.071 59.286 58.100 0.191 0.000 1.289 383 Y CB -0.464 38.192 38.460 0.326 0.000 0.983 383 Y HN 0.492 nan 8.280 nan 0.000 0.556 384 N N 0.733 119.572 118.700 0.233 0.000 2.678 384 N HA -0.236 4.504 4.740 0.000 0.000 0.268 384 N C 0.442 176.046 175.510 0.158 0.000 1.010 384 N CA 0.860 54.007 53.050 0.161 0.000 0.784 384 N CB -1.216 37.337 38.487 0.110 0.000 0.905 384 N HN 0.673 nan 8.380 nan 0.000 0.552 385 I N -3.346 117.325 120.570 0.168 0.000 3.427 385 I HA 0.029 4.199 4.170 0.000 0.000 0.288 385 I C 1.890 178.097 176.117 0.150 0.000 1.249 385 I CA -0.383 60.991 61.300 0.123 0.000 1.421 385 I CB -0.142 37.881 38.000 0.038 0.000 1.086 385 I HN 0.186 nan 8.210 nan 0.000 0.448 386 L N 1.935 123.261 121.223 0.171 0.000 2.054 386 L HA -0.307 4.033 4.340 0.000 0.000 0.220 386 L C 2.586 179.678 176.870 0.370 0.000 1.081 386 L CA 2.713 57.688 54.840 0.224 0.000 0.780 386 L CB -0.656 41.486 42.059 0.138 0.000 0.893 386 L HN 0.584 nan 8.230 nan 0.000 0.438 387 E N -0.431 119.962 120.200 0.322 0.000 2.047 387 E HA -0.298 4.052 4.350 0.000 0.000 0.191 387 E C 1.946 178.601 176.600 0.092 0.000 0.987 387 E CA 1.480 58.031 56.400 0.253 0.000 0.799 387 E CB 0.041 29.825 29.700 0.139 0.000 0.752 387 E HN 0.424 nan 8.360 nan 0.000 0.449 388 E N 0.068 120.325 120.200 0.094 0.000 2.110 388 E HA -0.148 4.202 4.350 0.000 0.000 0.193 388 E C 1.913 178.567 176.600 0.089 0.000 0.988 388 E CA 1.416 57.847 56.400 0.052 0.000 0.804 388 E CB -0.044 29.687 29.700 0.052 0.000 0.745 388 E HN 0.189 nan 8.360 nan 0.000 0.458 389 V N -0.077 119.953 119.914 0.194 0.000 2.379 389 V HA -0.060 4.060 4.120 0.000 0.000 0.245 389 V C 2.323 178.603 176.094 0.310 0.000 1.044 389 V CA 1.698 64.201 62.300 0.338 0.000 1.036 389 V CB -0.923 31.132 31.823 0.387 0.000 0.664 389 V HN 0.465 nan 8.190 nan 0.000 0.453 390 G N -0.348 108.620 108.800 0.280 0.000 2.443 390 G HA2 -0.236 3.724 3.960 0.000 0.000 0.219 390 G HA3 -0.236 3.724 3.960 0.000 0.000 0.219 390 G C 1.711 176.586 174.900 -0.042 0.000 1.131 390 G CA 0.712 45.953 45.100 0.235 0.000 0.775 390 G HN 0.410 nan 8.290 nan 0.000 0.547 391 R N 0.249 120.680 120.500 -0.115 0.000 2.062 391 R HA 0.107 4.447 4.340 0.000 0.000 0.231 391 R C 2.568 178.740 176.300 -0.213 0.000 1.136 391 R CA 0.904 56.893 56.100 -0.186 0.000 0.948 391 R CB -0.207 29.999 30.300 -0.158 0.000 0.845 391 R HN 0.188 nan 8.270 nan 0.000 0.430 392 R N -0.532 119.793 120.500 -0.292 0.000 2.316 392 R HA 0.025 4.365 4.340 0.000 0.000 0.202 392 R C 1.714 177.616 176.300 -0.664 0.000 1.029 392 R CA 0.763 56.474 56.100 -0.648 0.000 1.018 392 R CB 0.017 29.650 30.300 -1.112 0.000 0.888 392 R HN 0.308 nan 8.270 nan 0.000 0.471 393 M N -0.870 118.623 119.600 -0.179 0.000 2.556 393 M HA 0.097 4.577 4.480 0.000 0.000 0.245 393 M C 0.789 177.099 176.300 0.017 0.000 1.128 393 M CA 0.569 55.938 55.300 0.116 0.000 1.069 393 M CB 0.798 33.610 32.600 0.354 0.000 1.469 393 M HN 0.418 nan 8.290 nan 0.000 0.494 394 G N 1.373 110.124 108.800 -0.082 0.000 2.143 394 G HA2 -0.235 3.725 3.960 0.000 0.000 0.249 394 G HA3 -0.235 3.725 3.960 0.000 0.000 0.249 394 G C 0.049 174.924 174.900 -0.043 0.000 0.981 394 G CA -0.098 44.956 45.100 -0.077 0.000 0.665 394 G HN 0.401 nan 8.290 nan 0.000 0.528 395 L N -0.443 120.763 121.223 -0.028 0.000 2.468 395 L HA 0.464 4.804 4.340 0.000 0.000 0.254 395 L C 0.938 177.730 176.870 -0.131 0.000 1.171 395 L CA -0.680 54.156 54.840 -0.008 0.000 0.809 395 L CB 0.374 42.507 42.059 0.122 0.000 1.155 395 L HN 0.102 nan 8.230 nan 0.000 0.473 396 E N 0.078 120.225 120.200 -0.088 0.000 1.972 396 E HA 0.019 4.369 4.350 0.000 0.000 0.292 396 E C 0.596 176.932 176.600 -0.440 0.000 1.193 396 E CA -0.136 56.186 56.400 -0.129 0.000 1.228 396 E CB 0.069 29.779 29.700 0.018 0.000 1.167 396 E HN 0.527 nan 8.360 nan 0.000 0.479 397 T N 0.766 114.852 114.554 -0.780 0.000 2.869 397 T HA -0.181 4.169 4.350 0.000 0.000 0.270 397 T C 0.927 175.141 174.700 -0.810 0.000 1.082 397 T CA 1.080 62.308 62.100 -1.454 0.000 1.123 397 T CB -0.153 68.052 68.868 -1.105 0.000 0.856 397 T HN 0.537 nan 8.240 nan 0.000 0.499 398 H N -0.078 118.844 119.070 -0.248 0.000 2.549 398 H HA 0.221 4.777 4.556 0.000 0.000 0.279 398 H C 0.069 175.437 175.328 0.067 0.000 1.018 398 H CA 0.238 56.263 56.048 -0.039 0.000 1.175 398 H CB 0.562 30.293 29.762 -0.052 0.000 1.485 398 H HN 0.177 nan 8.280 nan 0.000 0.543 399 T N 2.732 117.406 114.554 0.200 0.000 2.892 399 T HA 0.103 4.453 4.350 0.000 0.000 0.311 399 T C 1.171 176.072 174.700 0.335 0.000 1.033 399 T CA -0.477 61.755 62.100 0.220 0.000 0.991 399 T CB 1.605 70.568 68.868 0.158 0.000 0.981 399 T HN -0.024 nan 8.240 nan 0.000 0.457 400 L N 2.547 123.926 121.223 0.259 0.000 1.990 400 L HA -0.114 4.226 4.340 0.000 0.000 0.213 400 L C 2.782 179.721 176.870 0.114 0.000 1.072 400 L CA 2.166 57.110 54.840 0.174 0.000 0.755 400 L CB -1.579 40.532 42.059 0.087 0.000 0.889 400 L HN 0.781 nan 8.230 nan 0.000 0.432 401 A N -0.277 122.606 122.820 0.106 0.000 2.042 401 A HA -0.245 4.075 4.320 0.000 0.000 0.222 401 A C 2.408 180.050 177.584 0.095 0.000 1.167 401 A CA 1.966 54.051 52.037 0.079 0.000 0.649 401 A CB -0.734 18.308 19.000 0.070 0.000 0.809 401 A HN 0.635 nan 8.150 nan 0.000 0.457 402 S N -0.611 115.186 115.700 0.161 0.000 2.507 402 S HA 0.026 4.496 4.470 0.000 0.000 0.235 402 S C 0.933 175.629 174.600 0.161 0.000 0.988 402 S CA 0.834 59.142 58.200 0.180 0.000 0.944 402 S CB -0.771 62.579 63.200 0.251 0.000 0.762 402 S HN 0.959 nan 8.310 nan 0.000 0.526 403 L N 0.042 121.322 121.223 0.095 0.000 4.040 403 L HA -0.176 4.164 4.340 0.000 0.000 0.410 403 L C 1.634 178.523 176.870 0.031 0.000 1.187 403 L CA 0.850 55.689 54.840 -0.001 0.000 0.956 403 L CB -2.775 39.294 42.059 0.016 0.000 2.022 403 L HN 0.765 nan 8.230 nan 0.000 0.897 404 W N 0.329 121.649 121.300 0.032 0.000 2.374 404 W HA -0.137 4.523 4.660 0.000 0.000 0.288 404 W C 1.710 178.254 176.519 0.042 0.000 1.218 404 W CA 1.237 58.607 57.345 0.041 0.000 1.245 404 W CB -0.715 28.766 29.460 0.035 0.000 1.126 404 W HN 0.275 nan 8.180 nan 0.000 0.545 405 K N 0.923 120.904 120.400 -0.698 0.000 2.057 405 K HA -0.161 4.159 4.320 0.000 0.000 0.207 405 K C 1.504 177.963 176.600 -0.236 0.000 1.049 405 K CA 2.221 58.100 56.287 -0.679 0.000 0.931 405 K CB -0.340 31.624 32.500 -0.894 0.000 0.714 405 K HN -0.012 nan 8.250 nan 0.000 0.440 406 D N 0.264 120.563 120.400 -0.168 0.000 2.144 406 D HA -0.115 4.525 4.640 0.000 0.000 0.200 406 D C 1.938 178.234 176.300 -0.007 0.000 0.978 406 D CA 1.028 54.983 54.000 -0.075 0.000 0.833 406 D CB 0.012 40.780 40.800 -0.053 0.000 0.961 406 D HN 0.014 nan 8.370 nan 0.000 0.470 407 R N 0.453 120.979 120.500 0.043 0.000 2.066 407 R HA 0.059 4.399 4.340 0.000 0.000 0.232 407 R C 2.053 178.424 176.300 0.118 0.000 1.131 407 R CA 1.353 57.513 56.100 0.100 0.000 0.955 407 R CB -0.467 29.928 30.300 0.158 0.000 0.851 407 R HN 0.145 nan 8.270 nan 0.000 0.432 408 A N -0.142 122.775 122.820 0.162 0.000 1.841 408 A HA -0.176 4.144 4.320 0.000 0.000 0.216 408 A C 2.237 179.887 177.584 0.111 0.000 1.199 408 A CA 1.837 53.992 52.037 0.198 0.000 0.621 408 A CB -1.324 17.852 19.000 0.294 0.000 0.835 408 A HN 0.242 nan 8.150 nan 0.000 0.445 409 V N 0.033 119.979 119.914 0.053 0.000 2.317 409 V HA -0.285 3.835 4.120 0.000 0.000 0.251 409 V C 2.548 178.633 176.094 -0.014 0.000 1.065 409 V CA 3.157 65.464 62.300 0.011 0.000 1.049 409 V CB -0.995 30.802 31.823 -0.042 0.000 0.651 409 V HN 0.680 nan 8.190 nan 0.000 0.450 410 T N -0.302 114.247 114.554 -0.009 0.000 2.788 410 T HA -0.133 4.217 4.350 0.000 0.000 0.268 410 T C 1.768 176.436 174.700 -0.053 0.000 1.044 410 T CA 1.543 63.633 62.100 -0.016 0.000 1.139 410 T CB -0.262 68.613 68.868 0.011 0.000 0.867 410 T HN 0.549 nan 8.240 nan 0.000 0.454 411 E N 0.943 121.116 120.200 -0.045 0.000 2.106 411 E HA 0.033 4.383 4.350 0.000 0.000 0.192 411 E C 2.209 178.660 176.600 -0.249 0.000 0.984 411 E CA 0.611 56.938 56.400 -0.122 0.000 0.806 411 E CB -0.355 29.266 29.700 -0.132 0.000 0.750 411 E HN 0.540 nan 8.360 nan 0.000 0.458 412 I N 1.515 122.022 120.570 -0.105 0.000 2.315 412 I HA -0.237 3.933 4.170 0.000 0.000 0.248 412 I C 1.948 177.992 176.117 -0.121 0.000 1.117 412 I CA 0.707 61.967 61.300 -0.067 0.000 1.404 412 I CB -0.323 37.761 38.000 0.140 0.000 1.071 412 I HN 0.021 nan 8.210 nan 0.000 0.419 413 N N 0.912 119.542 118.700 -0.117 0.000 2.120 413 N HA -0.137 4.603 4.740 0.000 0.000 0.188 413 N C 1.999 177.411 175.510 -0.164 0.000 1.024 413 N CA 1.871 54.843 53.050 -0.130 0.000 0.852 413 N CB -0.462 37.967 38.487 -0.098 0.000 1.003 413 N HN 0.356 nan 8.380 nan 0.000 0.424 414 V N -0.942 118.838 119.914 -0.224 0.000 2.626 414 V HA 0.020 4.140 4.120 0.000 0.000 0.252 414 V C 2.351 178.216 176.094 -0.382 0.000 1.067 414 V CA 1.501 63.633 62.300 -0.279 0.000 1.081 414 V CB -1.239 30.385 31.823 -0.331 0.000 0.686 414 V HN 0.169 nan 8.190 nan 0.000 0.468 415 A N 0.861 123.348 122.820 -0.556 0.000 1.858 415 A HA -0.095 4.225 4.320 0.000 0.000 0.216 415 A C 2.408 179.890 177.584 -0.171 0.000 1.190 415 A CA 2.324 54.015 52.037 -0.576 0.000 0.617 415 A CB -0.959 17.431 19.000 -1.016 0.000 0.827 415 A HN 0.389 nan 8.150 nan 0.000 0.443 416 V N -0.246 119.612 119.914 -0.094 0.000 2.233 416 V HA -0.282 3.838 4.120 0.000 0.000 0.247 416 V C 2.554 178.644 176.094 -0.006 0.000 1.050 416 V CA 2.186 64.485 62.300 -0.001 0.000 1.010 416 V CB -0.909 30.825 31.823 -0.150 0.000 0.637 416 V HN 0.500 nan 8.190 nan 0.000 0.444 417 L N -0.411 120.759 121.223 -0.089 0.000 2.043 417 L HA -0.238 4.102 4.340 0.000 0.000 0.212 417 L C 2.485 179.373 176.870 0.029 0.000 1.075 417 L CA 2.352 57.161 54.840 -0.052 0.000 0.752 417 L CB -1.113 40.913 42.059 -0.055 0.000 0.891 417 L HN 0.510 nan 8.230 nan 0.000 0.432 418 H N -1.105 117.911 119.070 -0.090 0.000 2.293 418 H HA -0.137 4.419 4.556 0.000 0.000 0.300 418 H C 2.212 177.532 175.328 -0.013 0.000 1.082 418 H CA 1.692 57.691 56.048 -0.083 0.000 1.308 418 H CB 0.369 30.025 29.762 -0.176 0.000 1.375 418 H HN 0.312 nan 8.280 nan 0.000 0.495 419 S N 0.440 116.055 115.700 -0.142 0.000 2.359 419 S HA -0.161 4.309 4.470 0.000 0.000 0.224 419 S C 1.982 176.541 174.600 -0.069 0.000 1.035 419 S CA 1.525 59.642 58.200 -0.137 0.000 1.018 419 S CB -0.593 62.630 63.200 0.039 0.000 0.876 419 S HN 0.303 nan 8.310 nan 0.000 0.448 420 F N 1.602 121.474 119.950 -0.130 0.000 2.171 420 F HA -0.099 4.428 4.527 0.000 0.000 0.300 420 F C 2.690 178.422 175.800 -0.114 0.000 1.090 420 F CA 1.196 59.138 58.000 -0.096 0.000 1.293 420 F CB -0.698 38.261 39.000 -0.069 0.000 1.013 420 F HN 0.163 nan 8.300 nan 0.000 0.486 421 Q N 0.615 120.448 119.800 0.054 0.000 2.020 421 Q HA -0.218 4.122 4.340 0.000 0.000 0.202 421 Q C 2.287 178.234 176.000 -0.087 0.000 0.982 421 Q CA 1.984 57.774 55.803 -0.021 0.000 0.838 421 Q CB -0.210 28.517 28.738 -0.019 0.000 0.899 421 Q HN 0.292 nan 8.270 nan 0.000 0.423 422 K N -0.308 119.978 120.400 -0.190 0.000 2.002 422 K HA -0.145 4.175 4.320 0.000 0.000 0.209 422 K C 1.621 178.138 176.600 -0.138 0.000 1.048 422 K CA 1.621 57.789 56.287 -0.198 0.000 0.930 422 K CB 0.038 32.327 32.500 -0.351 0.000 0.714 422 K HN 0.298 nan 8.250 nan 0.000 0.438 423 Q N 0.836 120.544 119.800 -0.154 0.000 2.387 423 Q HA 0.046 4.386 4.340 0.000 0.000 0.211 423 Q C -0.642 175.285 176.000 -0.123 0.000 0.952 423 Q CA -0.127 55.592 55.803 -0.140 0.000 0.957 423 Q CB 0.081 28.712 28.738 -0.178 0.000 1.002 423 Q HN 0.295 nan 8.270 nan 0.000 0.502 424 N N 0.180 118.822 118.700 -0.097 0.000 2.714 424 N HA -0.150 4.590 4.740 0.000 0.000 0.253 424 N C -1.414 174.049 175.510 -0.077 0.000 1.024 424 N CA 0.598 53.602 53.050 -0.076 0.000 0.726 424 N CB -1.139 37.306 38.487 -0.069 0.000 0.908 424 N HN 0.036 nan 8.380 nan 0.000 0.542 425 V N 0.850 120.725 119.914 -0.066 0.000 2.409 425 V HA 0.239 4.359 4.120 0.000 0.000 0.291 425 V C 0.780 176.943 176.094 0.116 0.000 1.020 425 V CA -0.713 61.568 62.300 -0.031 0.000 0.848 425 V CB 2.041 33.739 31.823 -0.208 0.000 0.990 425 V HN 0.206 nan 8.190 nan 0.000 0.430 426 T N 6.394 120.967 114.554 0.031 0.000 2.933 426 T HA 0.388 4.738 4.350 0.000 0.000 0.306 426 T C -0.212 174.527 174.700 0.064 0.000 1.045 426 T CA 0.929 62.977 62.100 -0.087 0.000 1.143 426 T CB 0.138 68.801 68.868 -0.343 0.000 1.003 426 T HN 0.601 nan 8.240 nan 0.000 0.540 427 I N 2.078 122.606 120.570 -0.069 0.000 2.793 427 I HA 0.481 4.651 4.170 0.000 0.000 0.295 427 I C -1.745 174.355 176.117 -0.028 0.000 1.610 427 I CA -0.939 60.354 61.300 -0.012 0.000 0.986 427 I CB 1.937 39.832 38.000 -0.175 0.000 1.402 427 I HN 0.651 nan 8.210 nan 0.000 0.500 428 M N 6.065 125.714 119.600 0.081 0.000 2.395 428 M HA 0.395 4.875 4.480 0.000 0.000 0.307 428 M C -1.433 174.909 176.300 0.070 0.000 1.091 428 M CA -0.636 54.725 55.300 0.101 0.000 0.919 428 M CB 1.668 34.418 32.600 0.250 0.000 1.662 428 M HN 0.558 nan 8.290 nan 0.000 0.440 429 D N 3.232 123.667 120.400 0.059 0.000 2.344 429 D HA 0.015 4.655 4.640 0.000 0.000 0.244 429 D C 0.738 177.087 176.300 0.083 0.000 1.134 429 D CA -0.136 53.917 54.000 0.088 0.000 0.930 429 D CB 0.512 41.356 40.800 0.073 0.000 1.175 429 D HN 0.826 nan 8.370 nan 0.000 0.437 430 H N 0.655 119.658 119.070 -0.111 0.000 2.456 430 H HA -0.155 4.401 4.556 0.000 0.000 0.296 430 H C 1.258 176.461 175.328 -0.208 0.000 1.079 430 H CA 1.245 57.175 56.048 -0.197 0.000 1.322 430 H CB -0.684 28.895 29.762 -0.305 0.000 1.388 430 H HN 0.538 nan 8.280 nan 0.000 0.538 431 H N 0.941 119.799 119.070 -0.354 0.000 2.284 431 H HA -0.031 4.525 4.556 0.000 0.000 0.304 431 H C 2.028 177.304 175.328 -0.087 0.000 1.069 431 H CA 1.970 57.871 56.048 -0.244 0.000 1.327 431 H CB -0.324 29.265 29.762 -0.289 0.000 1.387 431 H HN 0.384 nan 8.280 nan 0.000 0.498 432 T N 1.441 116.041 114.554 0.077 0.000 2.759 432 T HA -0.117 4.233 4.350 0.000 0.000 0.269 432 T C 2.335 177.087 174.700 0.087 0.000 1.042 432 T CA 1.116 63.259 62.100 0.072 0.000 1.140 432 T CB -0.467 68.439 68.868 0.064 0.000 0.864 432 T HN 0.425 nan 8.240 nan 0.000 0.455 433 A N 1.701 124.570 122.820 0.082 0.000 1.873 433 A HA -0.160 4.160 4.320 0.000 0.000 0.218 433 A C 2.639 180.287 177.584 0.107 0.000 1.193 433 A CA 2.223 54.321 52.037 0.101 0.000 0.629 433 A CB -1.035 18.008 19.000 0.072 0.000 0.826 433 A HN 0.468 nan 8.150 nan 0.000 0.447 434 S N -0.279 115.459 115.700 0.063 0.000 2.356 434 S HA -0.156 4.314 4.470 0.000 0.000 0.223 434 S C 1.800 176.481 174.600 0.136 0.000 1.032 434 S CA 1.393 59.644 58.200 0.085 0.000 1.005 434 S CB -0.401 62.804 63.200 0.009 0.000 0.867 434 S HN 0.686 nan 8.310 nan 0.000 0.449 435 E N 1.285 121.546 120.200 0.100 0.000 2.160 435 E HA -0.146 4.205 4.350 0.000 0.000 0.195 435 E C 2.354 179.017 176.600 0.104 0.000 0.991 435 E CA 1.421 57.877 56.400 0.093 0.000 0.810 435 E CB -0.214 29.529 29.700 0.072 0.000 0.742 435 E HN 0.650 nan 8.360 nan 0.000 0.466 436 S N 0.446 116.223 115.700 0.129 0.000 2.377 436 S HA -0.117 4.353 4.470 0.000 0.000 0.223 436 S C 1.889 176.584 174.600 0.158 0.000 1.030 436 S CA 0.211 58.491 58.200 0.132 0.000 0.970 436 S CB -0.470 62.817 63.200 0.144 0.000 0.830 436 S HN 0.272 nan 8.310 nan 0.000 0.473 437 F N 2.191 122.179 119.950 0.063 0.000 2.216 437 F HA 0.046 4.573 4.527 0.000 0.000 0.300 437 F C 2.272 178.138 175.800 0.110 0.000 1.085 437 F CA 1.241 59.288 58.000 0.080 0.000 1.326 437 F CB -0.299 38.719 39.000 0.030 0.000 1.027 437 F HN 0.114 nan 8.300 nan 0.000 0.497 438 M N -0.043 119.615 119.600 0.096 0.000 2.099 438 M HA -0.169 4.311 4.480 0.000 0.000 0.262 438 M C 2.243 178.509 176.300 -0.056 0.000 1.067 438 M CA 1.519 56.827 55.300 0.013 0.000 1.124 438 M CB -1.166 31.477 32.600 0.071 0.000 1.353 438 M HN 0.034 nan 8.290 nan 0.000 0.410 439 K N -0.422 119.974 120.400 -0.006 0.000 2.209 439 K HA -0.197 4.123 4.320 0.000 0.000 0.204 439 K C 1.878 178.450 176.600 -0.046 0.000 1.048 439 K CA 1.563 57.843 56.287 -0.011 0.000 0.940 439 K CB -0.526 31.991 32.500 0.029 0.000 0.729 439 K HN 0.360 nan 8.250 nan 0.000 0.451 440 H N -0.177 118.789 119.070 -0.174 0.000 2.293 440 H HA 0.003 4.559 4.556 0.000 0.000 0.300 440 H C 1.789 176.955 175.328 -0.269 0.000 1.082 440 H CA 2.473 58.381 56.048 -0.235 0.000 1.308 440 H CB -0.069 29.465 29.762 -0.380 0.000 1.375 440 H HN 0.135 nan 8.280 nan 0.000 0.495 441 M N 0.121 119.447 119.600 -0.457 0.000 2.073 441 M HA -0.275 4.205 4.480 0.000 0.000 0.258 441 M C 2.418 178.607 176.300 -0.185 0.000 1.070 441 M CA 2.185 57.278 55.300 -0.344 0.000 1.103 441 M CB -0.363 32.065 32.600 -0.288 0.000 1.321 441 M HN 0.462 nan 8.290 nan 0.000 0.405 442 Q N 0.081 119.784 119.800 -0.161 0.000 2.096 442 Q HA -0.214 4.126 4.340 0.000 0.000 0.208 442 Q C 1.754 177.715 176.000 -0.064 0.000 0.993 442 Q CA 1.650 57.398 55.803 -0.092 0.000 0.862 442 Q CB -0.415 28.281 28.738 -0.070 0.000 0.915 442 Q HN 0.543 nan 8.270 nan 0.000 0.416 443 N N 0.438 119.069 118.700 -0.115 0.000 2.142 443 N HA -0.159 4.581 4.740 0.000 0.000 0.186 443 N C 1.665 177.092 175.510 -0.139 0.000 1.023 443 N CA 1.120 54.109 53.050 -0.102 0.000 0.852 443 N CB -0.227 38.202 38.487 -0.098 0.000 0.998 443 N HN 0.197 nan 8.380 nan 0.000 0.424 444 E N 0.190 120.232 120.200 -0.264 0.000 2.077 444 E HA -0.121 4.229 4.350 0.000 0.000 0.193 444 E C 1.615 178.141 176.600 -0.124 0.000 0.989 444 E CA 1.132 57.362 56.400 -0.283 0.000 0.800 444 E CB -0.225 29.203 29.700 -0.454 0.000 0.746 444 E HN 0.372 nan 8.360 nan 0.000 0.452 445 Y N 0.178 120.373 120.300 -0.174 0.000 2.184 445 Y HA -0.014 4.536 4.550 0.000 0.000 0.290 445 Y C 2.484 178.337 175.900 -0.079 0.000 1.129 445 Y CA 1.532 59.572 58.100 -0.101 0.000 1.144 445 Y CB -0.344 38.072 38.460 -0.073 0.000 0.995 445 Y HN -0.013 nan 8.280 nan 0.000 0.513 446 R N 0.267 120.813 120.500 0.077 0.000 2.127 446 R HA -0.191 4.149 4.340 0.000 0.000 0.238 446 R C 2.016 178.309 176.300 -0.012 0.000 1.134 446 R CA 1.182 57.297 56.100 0.025 0.000 0.975 446 R CB -0.299 30.009 30.300 0.012 0.000 0.865 446 R HN 0.357 nan 8.270 nan 0.000 0.447 447 A N 1.647 124.441 122.820 -0.042 0.000 1.838 447 A HA -0.125 4.195 4.320 0.000 0.000 0.215 447 A C 1.857 179.394 177.584 -0.078 0.000 1.273 447 A CA 1.261 53.264 52.037 -0.057 0.000 0.602 447 A CB -0.340 18.616 19.000 -0.073 0.000 0.934 447 A HN 0.501 nan 8.150 nan 0.000 0.461 448 R N -1.047 119.376 120.500 -0.129 0.000 2.427 448 R HA 0.396 4.736 4.340 0.000 0.000 0.262 448 R C 0.880 177.078 176.300 -0.171 0.000 0.943 448 R CA 0.698 56.716 56.100 -0.136 0.000 1.081 448 R CB -0.203 30.009 30.300 -0.146 0.000 1.166 448 R HN 1.061 nan 8.270 nan 0.000 0.534 449 G N -0.414 108.260 108.800 -0.211 0.000 2.136 449 G HA2 -0.181 3.779 3.960 0.000 0.000 0.242 449 G HA3 -0.181 3.779 3.960 0.000 0.000 0.242 449 G C 0.189 174.747 174.900 -0.570 0.000 0.989 449 G CA -0.061 44.874 45.100 -0.275 0.000 0.682 449 G HN 0.892 nan 8.290 nan 0.000 0.522 450 G N -2.446 105.867 108.800 -0.812 0.000 2.427 450 G HA2 0.621 4.581 3.960 0.000 0.000 0.306 450 G HA3 0.621 4.581 3.960 0.000 0.000 0.306 450 G C -0.876 173.647 174.900 -0.628 0.000 1.280 450 G CA 0.471 44.954 45.100 -1.028 0.000 0.837 450 G HN 1.929 nan 8.290 nan 0.000 0.482 451 C N 1.584 120.774 119.300 -0.183 0.000 3.015 451 C HA 0.436 4.896 4.460 0.000 0.000 0.372 451 C C -2.744 172.213 174.990 -0.054 0.000 1.057 451 C CA -0.920 58.074 59.018 -0.040 0.000 1.328 451 C CB 0.306 28.105 27.740 0.098 0.000 1.661 451 C HN 0.707 nan 8.230 nan 0.000 0.471 452 P HA 0.396 nan 4.420 nan 0.000 0.264 452 P C -0.477 176.736 177.300 -0.146 0.000 1.193 452 P CA 0.723 63.442 63.100 -0.635 0.000 0.763 452 P CB 1.027 32.302 31.700 -0.707 0.000 0.810 453 A N 2.664 125.455 122.820 -0.049 0.000 2.437 453 A HA 0.348 4.668 4.320 0.000 0.000 0.293 453 A C -0.842 176.803 177.584 0.102 0.000 1.038 453 A CA -0.571 51.533 52.037 0.111 0.000 0.708 453 A CB 1.158 20.328 19.000 0.283 0.000 1.251 453 A HN 0.459 nan 8.150 nan 0.000 0.409 454 D N 2.461 122.908 120.400 0.079 0.000 2.479 454 D HA 0.096 4.736 4.640 0.000 0.000 0.218 454 D C 0.911 177.337 176.300 0.211 0.000 1.131 454 D CA -0.477 53.599 54.000 0.126 0.000 0.916 454 D CB 0.207 41.030 40.800 0.038 0.000 1.022 454 D HN 0.643 nan 8.370 nan 0.000 0.515 455 W N 4.510 125.838 121.300 0.047 0.000 2.290 455 W HA -0.284 4.376 4.660 0.000 0.000 0.323 455 W C 1.825 178.373 176.519 0.049 0.000 1.260 455 W CA 1.379 58.739 57.345 0.026 0.000 1.266 455 W CB -0.143 29.315 29.460 -0.003 0.000 1.149 455 W HN 0.442 nan 8.180 nan 0.000 0.482 456 I N -0.936 119.956 120.570 0.536 0.000 2.236 456 I HA -0.357 3.813 4.170 0.000 0.000 0.249 456 I C 1.912 178.139 176.117 0.183 0.000 1.102 456 I CA 1.853 63.402 61.300 0.416 0.000 1.365 456 I CB -0.673 37.575 38.000 0.413 0.000 1.051 456 I HN 0.163 nan 8.210 nan 0.000 0.420 457 W N 0.160 121.427 121.300 -0.056 0.000 2.525 457 W HA 0.090 4.750 4.660 0.000 0.000 0.288 457 W C 2.283 178.664 176.519 -0.231 0.000 1.200 457 W CA 0.284 57.554 57.345 -0.124 0.000 1.349 457 W CB -0.581 28.826 29.460 -0.089 0.000 1.102 457 W HN -0.067 nan 8.180 nan 0.000 0.558 458 L N 0.145 121.316 121.223 -0.087 0.000 2.362 458 L HA -0.054 4.286 4.340 0.000 0.000 0.219 458 L C 0.476 177.105 176.870 -0.401 0.000 1.134 458 L CA 0.342 54.988 54.840 -0.325 0.000 0.807 458 L CB -0.886 40.896 42.059 -0.461 0.000 0.927 458 L HN -0.354 nan 8.230 nan 0.000 0.447 459 V N 1.323 120.944 119.914 -0.489 0.000 2.408 459 V HA 0.189 4.309 4.120 0.000 0.000 0.267 459 V C -1.842 174.044 176.094 -0.346 0.000 1.047 459 V CA -1.531 60.450 62.300 -0.532 0.000 0.937 459 V CB 0.805 32.076 31.823 -0.921 0.000 0.999 459 V HN 0.009 nan 8.190 nan 0.000 0.472 460 P HA -0.001 nan 4.420 nan 0.000 0.264 460 P C -1.834 175.318 177.300 -0.246 0.000 1.173 460 P CA -0.646 62.310 63.100 -0.239 0.000 0.761 460 P CB 0.117 31.726 31.700 -0.153 0.000 0.794 461 P HA -0.026 nan 4.420 nan 0.000 0.251 461 P C -0.104 177.072 177.300 -0.207 0.000 1.251 461 P CA 1.035 63.992 63.100 -0.238 0.000 0.763 461 P CB 0.363 31.906 31.700 -0.262 0.000 1.067 462 V N -1.641 118.141 119.914 -0.220 0.000 3.098 462 V HA 0.226 4.346 4.120 0.000 0.000 0.294 462 V C -0.225 175.801 176.094 -0.112 0.000 1.351 462 V CA -0.358 61.839 62.300 -0.173 0.000 0.999 462 V CB 1.714 33.406 31.823 -0.219 0.000 1.104 462 V HN -0.010 nan 8.190 nan 0.000 0.438 463 S N 2.888 118.548 115.700 -0.067 0.000 3.641 463 S HA -0.191 4.279 4.470 0.000 0.000 0.346 463 S C 1.416 175.949 174.600 -0.112 0.000 1.074 463 S CA 1.344 59.520 58.200 -0.040 0.000 1.026 463 S CB -1.449 61.803 63.200 0.086 0.000 0.908 463 S HN 1.857 nan 8.310 nan 0.000 0.479 464 G N 2.472 111.175 108.800 -0.161 0.000 2.628 464 G HA2 -0.325 3.635 3.960 0.000 0.000 0.217 464 G HA3 -0.325 3.635 3.960 0.000 0.000 0.217 464 G C 1.515 176.163 174.900 -0.421 0.000 1.240 464 G CA 1.625 46.608 45.100 -0.195 0.000 0.792 464 G HN 1.263 nan 8.290 nan 0.000 0.593 465 S N 0.435 115.579 115.700 -0.927 0.000 2.469 465 S HA -0.023 4.447 4.470 0.000 0.000 0.238 465 S C 2.084 176.466 174.600 -0.363 0.000 0.998 465 S CA 1.022 58.575 58.200 -1.079 0.000 0.957 465 S CB -0.164 62.438 63.200 -0.997 0.000 0.764 465 S HN 0.223 nan 8.310 nan 0.000 0.514 466 I N 1.806 122.259 120.570 -0.196 0.000 3.111 466 I HA 0.067 4.237 4.170 0.000 0.000 0.272 466 I C 0.679 176.798 176.117 0.004 0.000 1.268 466 I CA 0.561 61.846 61.300 -0.024 0.000 1.467 466 I CB -1.888 36.143 38.000 0.052 0.000 1.087 466 I HN 0.250 nan 8.210 nan 0.000 0.467 467 T N 2.787 117.285 114.554 -0.094 0.000 2.837 467 T HA 0.215 4.565 4.350 0.000 0.000 0.285 467 T C -1.477 173.175 174.700 -0.080 0.000 0.984 467 T CA -1.005 61.054 62.100 -0.068 0.000 1.049 467 T CB 2.251 71.048 68.868 -0.118 0.000 0.947 467 T HN -0.074 nan 8.240 nan 0.000 0.472 468 P HA -0.115 nan 4.420 nan 0.000 0.216 468 P C 1.770 179.121 177.300 0.085 0.000 1.150 468 P CA 0.621 63.771 63.100 0.083 0.000 0.837 468 P CB -0.110 31.651 31.700 0.103 0.000 0.786 469 V N -3.281 116.658 119.914 0.043 0.000 2.594 469 V HA -0.227 3.893 4.120 0.000 0.000 0.253 469 V C 2.025 178.120 176.094 0.000 0.000 1.069 469 V CA 1.436 63.752 62.300 0.027 0.000 1.082 469 V CB -1.936 29.838 31.823 -0.082 0.000 0.680 469 V HN -0.036 nan 8.190 nan 0.000 0.469 470 F N 1.677 121.503 119.950 -0.208 0.000 2.171 470 F HA -0.084 4.443 4.527 0.000 0.000 0.300 470 F C 2.319 178.317 175.800 0.330 0.000 1.090 470 F CA 2.062 60.050 58.000 -0.019 0.000 1.293 470 F CB -0.196 38.655 39.000 -0.250 0.000 1.013 470 F HN 0.301 nan 8.300 nan 0.000 0.486 471 H N -0.677 118.678 119.070 0.476 0.000 2.539 471 H HA 0.170 4.726 4.556 0.000 0.000 0.267 471 H C 0.172 175.626 175.328 0.210 0.000 0.982 471 H CA 0.202 56.439 56.048 0.316 0.000 1.146 471 H CB -0.452 29.471 29.762 0.267 0.000 1.382 471 H HN 0.275 nan 8.280 nan 0.000 0.577 472 Q N 1.660 121.660 119.800 0.334 0.000 2.325 472 Q HA 0.193 4.533 4.340 0.000 0.000 0.262 472 Q C -0.575 175.572 176.000 0.245 0.000 0.968 472 Q CA -0.452 55.494 55.803 0.238 0.000 0.877 472 Q CB 1.007 29.868 28.738 0.205 0.000 1.253 472 Q HN 0.238 nan 8.270 nan 0.000 0.448 473 E N 4.048 124.319 120.200 0.120 0.000 2.354 473 E HA 0.409 4.759 4.350 0.000 0.000 0.269 473 E C -0.399 176.274 176.600 0.121 0.000 1.036 473 E CA -0.014 56.424 56.400 0.063 0.000 0.876 473 E CB 0.771 30.478 29.700 0.013 0.000 1.009 473 E HN 0.662 nan 8.360 nan 0.000 0.416 474 M N 0.395 120.081 119.600 0.144 0.000 2.465 474 M HA 0.399 4.879 4.480 0.000 0.000 0.284 474 M C -1.856 174.555 176.300 0.186 0.000 1.212 474 M CA -1.214 54.204 55.300 0.197 0.000 0.910 474 M CB 1.168 33.928 32.600 0.267 0.000 1.725 474 M HN 0.107 nan 8.290 nan 0.000 0.477 475 L N 2.660 124.025 121.223 0.237 0.000 2.295 475 L HA 0.551 4.891 4.340 0.000 0.000 0.285 475 L C -0.429 176.563 176.870 0.202 0.000 1.035 475 L CA -0.106 54.899 54.840 0.275 0.000 0.806 475 L CB 1.045 43.359 42.059 0.425 0.000 1.214 475 L HN 0.811 nan 8.230 nan 0.000 0.426 476 N N 3.201 122.005 118.700 0.172 0.000 2.425 476 N HA 0.536 5.276 4.740 0.000 0.000 0.268 476 N C -1.570 174.024 175.510 0.140 0.000 0.991 476 N CA -0.234 52.841 53.050 0.041 0.000 0.931 476 N CB 0.647 39.171 38.487 0.062 0.000 1.130 476 N HN 0.416 nan 8.380 nan 0.000 0.493 477 Y N 0.131 120.449 120.300 0.030 0.000 2.480 477 Y HA 0.458 5.008 4.550 0.000 0.000 0.329 477 Y C -1.143 174.714 175.900 -0.071 0.000 1.127 477 Y CA -1.391 56.695 58.100 -0.023 0.000 1.037 477 Y CB 0.224 38.672 38.460 -0.021 0.000 1.320 477 Y HN 0.025 nan 8.280 nan 0.000 0.446 478 V N 5.099 124.978 119.914 -0.058 0.000 2.508 478 V HA 0.255 4.375 4.120 0.000 0.000 0.281 478 V C 0.353 176.314 176.094 -0.221 0.000 1.041 478 V CA -0.021 62.010 62.300 -0.448 0.000 1.016 478 V CB 0.265 31.686 31.823 -0.670 0.000 0.984 478 V HN 0.801 nan 8.190 nan 0.000 0.478 479 L N 3.179 124.303 121.223 -0.166 0.000 2.664 479 L HA 0.759 5.099 4.340 0.000 0.000 0.253 479 L C 0.162 177.040 176.870 0.012 0.000 1.293 479 L CA -0.565 54.283 54.840 0.014 0.000 1.280 479 L CB 1.638 43.764 42.059 0.112 0.000 1.993 479 L HN 0.599 nan 8.230 nan 0.000 0.577 480 S N -0.156 115.590 115.700 0.076 0.000 2.543 480 S HA 0.493 4.963 4.470 0.000 0.000 0.273 480 S C -2.759 171.907 174.600 0.110 0.000 1.152 480 S CA -0.982 57.272 58.200 0.089 0.000 0.910 480 S CB 1.937 65.160 63.200 0.039 0.000 1.105 480 S HN 0.251 nan 8.310 nan 0.000 0.465 481 P HA 0.405 nan 4.420 nan 0.000 0.271 481 P C -1.044 176.273 177.300 0.029 0.000 1.244 481 P CA -0.192 62.908 63.100 -0.000 0.000 0.793 481 P CB 0.324 31.958 31.700 -0.111 0.000 0.984 482 F N -0.493 119.306 119.950 -0.252 0.000 2.665 482 F HA 0.344 4.871 4.527 0.000 0.000 0.308 482 F C -1.420 174.130 175.800 -0.416 0.000 1.112 482 F CA -0.841 56.938 58.000 -0.369 0.000 0.972 482 F CB 1.233 40.014 39.000 -0.366 0.000 1.295 482 F HN 0.103 nan 8.300 nan 0.000 0.440 483 Y N 4.959 124.848 120.300 -0.685 0.000 2.535 483 Y HA 0.359 4.909 4.550 0.000 0.000 0.349 483 Y C -0.745 174.973 175.900 -0.302 0.000 0.992 483 Y CA -0.566 57.300 58.100 -0.390 0.000 1.248 483 Y CB -0.186 37.983 38.460 -0.485 0.000 1.124 483 Y HN 0.353 nan 8.280 nan 0.000 0.520 484 Y N 1.035 121.490 120.300 0.259 0.000 2.374 484 Y HA 0.293 4.843 4.550 0.000 0.000 0.322 484 Y C 0.146 176.184 175.900 0.230 0.000 1.275 484 Y CA -0.807 57.502 58.100 0.347 0.000 1.307 484 Y CB 0.641 39.281 38.460 0.301 0.000 1.282 484 Y HN 0.421 nan 8.280 nan 0.000 0.509 485 Y N 0.603 121.069 120.300 0.277 0.000 2.286 485 Y HA 0.351 4.901 4.550 0.000 0.000 0.347 485 Y C -0.140 175.843 175.900 0.137 0.000 1.351 485 Y CA -0.634 57.554 58.100 0.146 0.000 1.640 485 Y CB 0.672 39.184 38.460 0.087 0.000 1.560 485 Y HN 0.462 nan 8.280 nan 0.000 0.574 486 Q N -0.661 119.286 119.800 0.246 0.000 2.527 486 Q HA 0.442 4.782 4.340 0.000 0.000 0.280 486 Q C -1.721 174.284 176.000 0.008 0.000 0.977 486 Q CA -0.874 54.994 55.803 0.108 0.000 0.837 486 Q CB 1.423 30.208 28.738 0.078 0.000 1.454 486 Q HN 0.554 nan 8.270 nan 0.000 0.387 487 I N 1.844 122.381 120.570 -0.055 0.000 2.752 487 I HA -0.076 4.094 4.170 0.000 0.000 0.289 487 I C 0.260 176.186 176.117 -0.318 0.000 1.197 487 I CA 0.400 61.607 61.300 -0.155 0.000 1.432 487 I CB 0.270 38.182 38.000 -0.146 0.000 1.359 487 I HN 0.603 nan 8.210 nan 0.000 0.571 488 E N 9.231 129.136 120.200 -0.492 0.000 2.614 488 E HA -0.066 4.284 4.350 0.000 0.000 0.245 488 E C -1.289 174.626 176.600 -1.140 0.000 1.039 488 E CA -0.935 54.856 56.400 -1.014 0.000 0.948 488 E CB 0.190 29.032 29.700 -1.430 0.000 0.937 488 E HN 0.441 nan 8.360 nan 0.000 0.498 489 P HA -0.231 nan 4.420 nan 0.000 0.218 489 P C 0.911 177.606 177.300 -1.008 0.000 1.154 489 P CA 1.659 64.179 63.100 -0.967 0.000 0.872 489 P CB -0.216 30.687 31.700 -1.329 0.000 0.790 490 W N 0.838 121.516 121.300 -1.037 0.000 2.538 490 W HA 0.072 4.732 4.660 0.000 0.000 0.254 490 W C 1.692 178.032 176.519 -0.298 0.000 1.249 490 W CA 0.439 57.389 57.345 -0.658 0.000 1.253 490 W CB -1.289 27.952 29.460 -0.365 0.000 1.130 490 W HN -0.053 nan 8.180 nan 0.000 0.618 491 K N -0.030 120.081 120.400 -0.482 0.000 2.128 491 K HA -0.006 4.314 4.320 0.000 0.000 0.202 491 K C 0.900 177.400 176.600 -0.167 0.000 1.050 491 K CA 1.268 57.393 56.287 -0.270 0.000 0.966 491 K CB -0.290 32.006 32.500 -0.341 0.000 0.759 491 K HN -0.033 nan 8.250 nan 0.000 0.454 492 T N 1.283 115.727 114.554 -0.183 0.000 3.262 492 T HA 0.152 4.502 4.350 0.000 0.000 0.374 492 T C -1.757 172.983 174.700 0.067 0.000 1.504 492 T CA -0.421 61.636 62.100 -0.071 0.000 1.158 492 T CB -0.364 68.453 68.868 -0.086 0.000 1.157 492 T HN 0.177 nan 8.240 nan 0.000 0.644 493 H N 2.756 121.804 119.070 -0.036 0.000 3.042 493 H HA 0.395 4.951 4.556 0.000 0.000 0.345 493 H C -0.884 174.514 175.328 0.117 0.000 1.052 493 H CA -0.708 55.392 56.048 0.087 0.000 1.311 493 H CB 0.938 30.835 29.762 0.225 0.000 1.810 493 H HN 0.471 nan 8.280 nan 0.000 0.505 494 I N 4.768 125.122 120.570 -0.360 0.000 2.363 494 I HA 0.008 4.178 4.170 0.000 0.000 0.292 494 I C -0.188 175.876 176.117 -0.089 0.000 1.075 494 I CA -0.089 61.101 61.300 -0.185 0.000 1.333 494 I CB 0.100 38.019 38.000 -0.135 0.000 1.415 494 I HN 0.368 nan 8.210 nan 0.000 0.502 495 W N 5.889 127.116 121.300 -0.121 0.000 2.213 495 W HA 0.209 4.869 4.660 0.000 0.000 0.356 495 W C 0.680 177.186 176.519 -0.021 0.000 1.273 495 W CA -0.623 56.714 57.345 -0.014 0.000 1.391 495 W CB 0.431 29.936 29.460 0.076 0.000 1.187 495 W HN 0.437 nan 8.180 nan 0.000 0.649 496 Q N 0.000 119.853 119.800 0.088 0.000 2.315 496 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 496 Q CA 0.000 55.814 55.803 0.019 0.000 1.022 496 Q CB 0.000 28.699 28.738 -0.066 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481