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 3e6o_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDFTXXX 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 IEPWKTHIW 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 0.000 176.261 176.000 0.435 0.000 1.003 77 Q CA 0.000 55.935 55.803 0.220 0.000 1.022 77 Q CB 0.000 28.770 28.738 0.053 0.000 1.108 78 Y N -2.026 118.411 120.300 0.228 0.000 2.721 78 Y HA 0.566 5.116 4.550 0.000 0.000 0.357 78 Y C -2.023 173.931 175.900 0.090 0.000 1.183 78 Y CA -1.216 56.993 58.100 0.181 0.000 1.231 78 Y CB 0.425 38.945 38.460 0.100 0.000 1.390 78 Y HN -0.198 nan 8.280 nan 0.000 0.488 79 V N 3.589 123.678 119.914 0.293 0.000 2.547 79 V HA 0.624 4.744 4.120 0.000 0.000 0.299 79 V C -0.003 176.284 176.094 0.323 0.000 1.040 79 V CA -0.971 61.404 62.300 0.125 0.000 0.913 79 V CB 1.643 33.383 31.823 -0.139 0.000 0.992 79 V HN 0.789 nan 8.190 nan 0.000 0.449 80 R N 3.175 123.833 120.500 0.263 0.000 2.349 80 R HA 0.678 5.018 4.340 0.000 0.000 0.299 80 R C -0.908 175.468 176.300 0.127 0.000 1.027 80 R CA -0.286 55.980 56.100 0.276 0.000 0.958 80 R CB 1.158 31.611 30.300 0.254 0.000 1.047 80 R HN 0.589 nan 8.270 nan 0.000 0.468 81 I N 2.142 122.754 120.570 0.070 0.000 2.533 81 I HA 0.294 4.464 4.170 0.000 0.000 0.290 81 I C -0.640 175.452 176.117 -0.042 0.000 1.056 81 I CA -0.759 60.561 61.300 0.033 0.000 1.057 81 I CB 2.162 40.182 38.000 0.033 0.000 1.240 81 I HN 0.435 nan 8.210 nan 0.000 0.423 82 K N 5.385 125.740 120.400 -0.075 0.000 2.259 82 K HA 0.345 4.665 4.320 0.000 0.000 0.252 82 K C -0.733 175.720 176.600 -0.245 0.000 0.936 82 K CA -0.671 55.455 56.287 -0.267 0.000 0.810 82 K CB 1.422 33.572 32.500 -0.583 0.000 1.143 82 K HN 0.476 nan 8.250 nan 0.000 0.427 83 N N 4.518 123.076 118.700 -0.235 0.000 2.609 83 N HA 0.079 4.819 4.740 0.000 0.000 0.234 83 N C -0.323 175.123 175.510 -0.106 0.000 1.001 83 N CA -0.387 52.615 53.050 -0.081 0.000 0.926 83 N CB 0.303 38.770 38.487 -0.034 0.000 1.130 83 N HN 0.673 nan 8.380 nan 0.000 0.510 84 W N 2.393 123.714 121.300 0.036 0.000 2.662 84 W HA 0.073 4.733 4.660 0.000 0.000 0.249 84 W C 1.943 178.481 176.519 0.032 0.000 1.251 84 W CA 0.320 57.688 57.345 0.038 0.000 1.277 84 W CB 0.049 29.533 29.460 0.041 0.000 1.140 84 W HN 0.582 nan 8.180 nan 0.000 0.645 85 G N -0.260 108.647 108.800 0.179 0.000 2.508 85 G HA2 -0.167 3.793 3.960 0.000 0.000 0.212 85 G HA3 -0.167 3.793 3.960 0.000 0.000 0.212 85 G C 1.540 176.485 174.900 0.074 0.000 1.206 85 G CA 0.989 46.162 45.100 0.122 0.000 0.822 85 G HN 0.243 nan 8.290 nan 0.000 0.550 86 S N -0.358 115.365 115.700 0.038 0.000 2.558 86 S HA 0.339 4.809 4.470 0.000 0.000 0.217 86 S C 1.978 176.569 174.600 -0.015 0.000 0.975 86 S CA 1.079 59.287 58.200 0.014 0.000 0.912 86 S CB 0.043 63.245 63.200 0.004 0.000 0.776 86 S HN 1.634 nan 8.310 nan 0.000 0.526 87 G N 1.149 109.923 108.800 -0.045 0.000 2.189 87 G HA2 -0.355 3.605 3.960 0.000 0.000 0.267 87 G HA3 -0.355 3.605 3.960 0.000 0.000 0.267 87 G C -0.065 174.751 174.900 -0.139 0.000 0.975 87 G CA 0.522 45.554 45.100 -0.113 0.000 0.644 87 G HN 0.758 nan 8.290 nan 0.000 0.537 88 E N -0.078 120.060 120.200 -0.104 0.000 2.422 88 E HA 0.485 4.835 4.350 0.000 0.000 0.260 88 E C 0.317 176.829 176.600 -0.146 0.000 1.108 88 E CA -0.199 56.137 56.400 -0.105 0.000 0.943 88 E CB 0.231 29.885 29.700 -0.076 0.000 0.961 88 E HN 0.400 nan 8.360 nan 0.000 0.443 89 I N 3.290 123.767 120.570 -0.154 0.000 2.689 89 I HA 0.339 4.509 4.170 0.000 0.000 0.299 89 I C -0.695 175.267 176.117 -0.259 0.000 1.059 89 I CA -0.838 60.349 61.300 -0.189 0.000 1.055 89 I CB 1.549 39.445 38.000 -0.173 0.000 1.243 89 I HN 0.427 nan 8.210 nan 0.000 0.425 90 L N 4.378 125.455 121.223 -0.244 0.000 2.370 90 L HA 0.516 4.856 4.340 0.000 0.000 0.266 90 L C -1.034 175.680 176.870 -0.260 0.000 1.002 90 L CA -0.903 53.775 54.840 -0.270 0.000 0.818 90 L CB 2.054 44.042 42.059 -0.118 0.000 1.325 90 L HN 0.467 nan 8.230 nan 0.000 0.418 91 H N 1.340 120.331 119.070 -0.132 0.000 2.595 91 H HA 0.224 4.780 4.556 0.000 0.000 0.313 91 H C -1.074 174.189 175.328 -0.109 0.000 1.023 91 H CA -0.650 55.252 56.048 -0.242 0.000 1.218 91 H CB 1.572 30.878 29.762 -0.762 0.000 1.403 91 H HN 0.447 nan 8.280 nan 0.000 0.477 92 D N 2.351 122.843 120.400 0.154 0.000 2.295 92 D HA 0.058 4.698 4.640 0.000 0.000 0.248 92 D C 0.724 177.179 176.300 0.258 0.000 1.154 92 D CA -0.065 54.025 54.000 0.150 0.000 0.857 92 D CB 1.214 42.074 40.800 0.099 0.000 1.117 92 D HN 0.635 nan 8.370 nan 0.000 0.468 93 T N 0.876 115.519 114.554 0.148 0.000 2.959 93 T HA 0.062 4.412 4.350 0.000 0.000 0.254 93 T C 2.049 176.648 174.700 -0.168 0.000 1.003 93 T CA -0.280 61.823 62.100 0.006 0.000 0.950 93 T CB 0.022 68.930 68.868 0.067 0.000 1.090 93 T HN 0.326 nan 8.240 nan 0.000 0.503 94 L N 2.235 123.449 121.223 -0.016 0.000 2.083 94 L HA -0.119 4.221 4.340 0.000 0.000 0.209 94 L C 3.078 179.898 176.870 -0.083 0.000 1.083 94 L CA 1.840 56.663 54.840 -0.029 0.000 0.752 94 L CB -0.491 41.582 42.059 0.023 0.000 0.899 94 L HN 0.535 nan 8.230 nan 0.000 0.433 95 H N -1.664 117.359 119.070 -0.079 0.000 2.466 95 H HA -0.287 4.269 4.556 0.000 0.000 0.297 95 H C 1.675 177.010 175.328 0.011 0.000 1.113 95 H CA 2.052 58.072 56.048 -0.047 0.000 1.273 95 H CB -1.266 28.464 29.762 -0.054 0.000 1.371 95 H HN 0.580 nan 8.280 nan 0.000 0.528 96 H N 1.335 120.045 119.070 -0.600 0.000 2.457 96 H HA -0.013 4.543 4.556 0.000 0.000 0.297 96 H C 1.480 176.731 175.328 -0.129 0.000 1.092 96 H CA 1.044 56.886 56.048 -0.344 0.000 1.309 96 H CB 0.209 29.785 29.762 -0.310 0.000 1.382 96 H HN 0.399 nan 8.280 nan 0.000 0.535 97 K N 0.933 121.343 120.400 0.015 0.000 2.546 97 K HA 0.202 4.522 4.320 0.000 0.000 0.198 97 K C 0.662 177.269 176.600 0.011 0.000 1.028 97 K CA -0.202 56.094 56.287 0.015 0.000 1.150 97 K CB 0.579 33.082 32.500 0.006 0.000 0.876 97 K HN 0.178 nan 8.250 nan 0.000 0.508 98 A N 1.423 124.257 122.820 0.024 0.000 2.281 98 A HA 0.172 4.492 4.320 0.000 0.000 0.271 98 A C 1.059 178.652 177.584 0.015 0.000 1.196 98 A CA 0.095 52.142 52.037 0.016 0.000 0.807 98 A CB 0.126 19.159 19.000 0.054 0.000 1.138 98 A HN 0.335 nan 8.150 nan 0.000 0.506 99 T N -2.645 111.912 114.554 0.005 0.000 2.747 99 T HA 0.508 4.858 4.350 0.000 0.000 0.236 99 T C 0.951 175.681 174.700 0.050 0.000 1.046 99 T CA 0.364 62.474 62.100 0.016 0.000 1.054 99 T CB -0.462 68.402 68.868 -0.006 0.000 2.287 99 T HN 0.572 nan 8.240 nan 0.000 0.523 100 S N 1.920 117.652 115.700 0.055 0.000 2.632 100 S HA 0.264 4.734 4.470 0.000 0.000 0.254 100 S C 0.050 174.727 174.600 0.127 0.000 1.291 100 S CA -0.271 57.975 58.200 0.076 0.000 0.974 100 S CB -0.481 62.758 63.200 0.065 0.000 1.016 100 S HN 0.899 nan 8.310 nan 0.000 0.579 101 D N -0.294 120.175 120.400 0.115 0.000 2.352 101 D HA 0.248 4.889 4.640 0.000 0.000 0.238 101 D C -0.328 176.108 176.300 0.226 0.000 1.286 101 D CA -0.185 53.892 54.000 0.128 0.000 0.923 101 D CB 0.022 40.862 40.800 0.067 0.000 1.146 101 D HN 0.435 nan 8.370 nan 0.000 0.471 102 F N -1.372 118.586 119.950 0.014 0.000 3.009 102 F HA 0.246 4.773 4.527 0.000 0.000 0.443 102 F C -0.491 175.313 175.800 0.008 0.000 1.087 102 F CA 0.596 58.603 58.000 0.011 0.000 1.182 102 F CB -0.637 38.373 39.000 0.016 0.000 2.736 102 F HN 1.035 nan 8.300 nan 0.000 0.538 109 C N 5.220 124.652 119.300 0.221 0.000 2.566 109 C HA 0.357 4.817 4.460 0.000 0.000 0.393 109 C C 1.596 176.640 174.990 0.090 0.000 1.309 109 C CA -0.491 58.593 59.018 0.110 0.000 1.801 109 C CB -0.907 26.884 27.740 0.085 0.000 2.493 109 C HN 0.819 nan 8.230 nan 0.000 0.575 110 L N 3.297 124.557 121.223 0.061 0.000 2.737 110 L HA 0.191 4.531 4.340 0.000 0.000 0.236 110 L C 2.125 179.043 176.870 0.079 0.000 1.219 110 L CA 0.144 55.023 54.840 0.066 0.000 1.021 110 L CB -0.826 41.266 42.059 0.054 0.000 1.291 110 L HN 1.019 nan 8.230 nan 0.000 0.470 111 G N -0.077 108.769 108.800 0.076 0.000 2.442 111 G HA2 -0.303 3.657 3.960 0.000 0.000 0.219 111 G HA3 -0.303 3.657 3.960 0.000 0.000 0.219 111 G C 1.663 176.643 174.900 0.132 0.000 1.141 111 G CA 1.123 46.276 45.100 0.087 0.000 0.763 111 G HN 0.406 nan 8.290 nan 0.000 0.554 112 S N -0.218 115.566 115.700 0.140 0.000 2.561 112 S HA 0.147 4.617 4.470 0.000 0.000 0.225 112 S C 0.992 175.715 174.600 0.206 0.000 0.977 112 S CA -0.472 57.831 58.200 0.173 0.000 0.926 112 S CB -0.317 62.973 63.200 0.151 0.000 0.769 112 S HN 0.075 nan 8.310 nan 0.000 0.533 113 I N 2.918 123.601 120.570 0.189 0.000 2.556 113 I HA 0.075 4.245 4.170 0.000 0.000 0.284 113 I C 1.592 177.859 176.117 0.250 0.000 1.114 113 I CA 0.164 61.596 61.300 0.221 0.000 1.418 113 I CB 0.393 38.496 38.000 0.171 0.000 1.394 113 I HN 0.321 nan 8.210 nan 0.000 0.552 114 M N 4.750 124.538 119.600 0.313 0.000 2.064 114 M HA -0.116 4.364 4.480 0.000 0.000 0.260 114 M C 0.351 176.796 176.300 0.242 0.000 1.073 114 M CA 1.665 57.116 55.300 0.251 0.000 1.124 114 M CB -0.318 32.344 32.600 0.103 0.000 1.326 114 M HN 0.512 nan 8.290 nan 0.000 0.410 115 N N 1.260 120.115 118.700 0.260 0.000 2.904 115 N HA 0.323 5.063 4.740 0.000 0.000 0.257 115 N C -2.437 173.203 175.510 0.218 0.000 1.363 115 N CA -0.765 52.433 53.050 0.248 0.000 0.856 115 N CB 0.686 39.266 38.487 0.153 0.000 1.166 115 N HN 0.270 nan 8.380 nan 0.000 0.499 116 P HA 0.231 nan 4.420 nan 0.000 0.276 116 P C 0.589 177.967 177.300 0.130 0.000 1.252 116 P CA -0.374 62.807 63.100 0.135 0.000 0.802 116 P CB 2.071 33.832 31.700 0.102 0.000 1.035 117 K N 0.278 120.735 120.400 0.095 0.000 2.147 117 K HA -0.088 4.232 4.320 0.000 0.000 0.205 117 K C 2.060 178.712 176.600 0.087 0.000 1.049 117 K CA 1.834 58.171 56.287 0.083 0.000 0.936 117 K CB -0.367 32.163 32.500 0.051 0.000 0.722 117 K HN 0.546 nan 8.250 nan 0.000 0.446 118 S N 0.528 116.269 115.700 0.069 0.000 2.469 118 S HA -0.104 4.366 4.470 0.000 0.000 0.238 118 S C 1.488 176.139 174.600 0.085 0.000 0.998 118 S CA 0.874 59.106 58.200 0.054 0.000 0.957 118 S CB -0.027 63.181 63.200 0.014 0.000 0.764 118 S HN 0.099 nan 8.310 nan 0.000 0.514 119 L N 1.081 122.373 121.223 0.114 0.000 2.766 119 L HA 0.415 4.756 4.340 0.000 0.000 0.242 119 L C 0.105 177.155 176.870 0.300 0.000 1.136 119 L CA 0.485 55.395 54.840 0.116 0.000 0.933 119 L CB 0.378 42.420 42.059 -0.029 0.000 1.241 119 L HN 0.194 nan 8.230 nan 0.000 0.522 120 T N -0.376 114.357 114.554 0.298 0.000 2.855 120 T HA 0.529 4.879 4.350 0.000 0.000 0.281 120 T C -0.409 174.374 174.700 0.137 0.000 1.007 120 T CA -0.485 61.775 62.100 0.267 0.000 1.009 120 T CB 2.196 71.168 68.868 0.172 0.000 0.983 120 T HN -0.156 nan 8.240 nan 0.000 0.455 121 R N 1.642 122.179 120.500 0.061 0.000 2.371 121 R HA 0.607 4.947 4.340 0.000 0.000 0.312 121 R C 0.336 176.598 176.300 -0.063 0.000 0.980 121 R CA -0.426 55.591 56.100 -0.138 0.000 0.867 121 R CB 0.314 30.412 30.300 -0.337 0.000 1.163 121 R HN 0.831 nan 8.270 nan 0.000 0.492 122 G N 3.258 112.019 108.800 -0.066 0.000 2.508 122 G HA2 0.400 4.360 3.960 0.000 0.000 0.278 122 G HA3 0.400 4.360 3.960 0.000 0.000 0.278 122 G C -2.034 172.828 174.900 -0.063 0.000 1.389 122 G CA -1.116 43.950 45.100 -0.057 0.000 1.050 122 G HN 0.496 nan 8.290 nan 0.000 0.522 123 P HA 0.373 nan 4.420 nan 0.000 0.272 123 P C -0.382 176.889 177.300 -0.048 0.000 1.254 123 P CA -0.097 62.970 63.100 -0.055 0.000 0.795 123 P CB 0.547 32.214 31.700 -0.056 0.000 1.022 124 R N 0.151 120.625 120.500 -0.043 0.000 2.643 124 R HA 0.239 4.579 4.340 0.000 0.000 0.269 124 R C -0.384 175.894 176.300 -0.036 0.000 1.037 124 R CA -0.513 55.565 56.100 -0.037 0.000 0.894 124 R CB 1.604 31.883 30.300 -0.036 0.000 1.238 124 R HN 0.337 nan 8.270 nan 0.000 0.459 125 D N 0.870 121.252 120.400 -0.030 0.000 2.417 125 D HA 0.157 4.797 4.640 0.000 0.000 0.207 125 D C -0.563 175.725 176.300 -0.020 0.000 1.075 125 D CA 0.858 54.840 54.000 -0.031 0.000 0.851 125 D CB 0.771 41.556 40.800 -0.026 0.000 0.976 125 D HN 0.274 nan 8.370 nan 0.000 0.505 126 K N 0.064 120.457 120.400 -0.012 0.000 2.509 126 K HA 0.477 4.797 4.320 0.000 0.000 0.266 126 K C -2.758 173.843 176.600 0.003 0.000 0.987 126 K CA -1.702 54.584 56.287 -0.001 0.000 0.868 126 K CB 1.955 34.456 32.500 0.000 0.000 1.421 126 K HN -0.290 nan 8.250 nan 0.000 0.444 127 P HA -0.011 nan 4.420 nan 0.000 0.271 127 P C -0.752 176.554 177.300 0.009 0.000 1.238 127 P CA -0.152 62.956 63.100 0.014 0.000 0.794 127 P CB 0.261 31.974 31.700 0.023 0.000 0.959 128 T N 2.439 117.000 114.554 0.012 0.000 2.814 128 T HA 0.210 4.560 4.350 0.000 0.000 0.297 128 T C -2.166 172.547 174.700 0.023 0.000 0.956 128 T CA -0.921 61.189 62.100 0.017 0.000 1.123 128 T CB -0.481 68.404 68.868 0.028 0.000 0.902 128 T HN 0.275 nan 8.240 nan 0.000 0.528 129 P HA 0.014 nan 4.420 nan 0.000 0.260 129 P C 0.682 177.989 177.300 0.011 0.000 1.172 129 P CA -0.168 62.938 63.100 0.011 0.000 0.760 129 P CB 0.356 32.059 31.700 0.005 0.000 0.773 130 L N 3.808 125.036 121.223 0.007 0.000 2.081 130 L HA -0.230 4.110 4.340 0.000 0.000 0.212 130 L C 2.357 179.218 176.870 -0.016 0.000 1.080 130 L CA 1.800 56.641 54.840 0.002 0.000 0.754 130 L CB -1.145 40.914 42.059 -0.000 0.000 0.893 130 L HN 0.511 nan 8.230 nan 0.000 0.433 131 E N 0.047 120.234 120.200 -0.021 0.000 2.209 131 E HA -0.252 4.098 4.350 0.000 0.000 0.196 131 E C 1.518 178.077 176.600 -0.068 0.000 0.993 131 E CA 1.682 58.059 56.400 -0.039 0.000 0.819 131 E CB -0.343 29.338 29.700 -0.031 0.000 0.745 131 E HN 0.678 nan 8.360 nan 0.000 0.477 132 E N 0.467 120.636 120.200 -0.052 0.000 2.127 132 E HA 0.003 4.353 4.350 0.000 0.000 0.191 132 E C 2.213 178.765 176.600 -0.080 0.000 0.964 132 E CA 0.187 56.532 56.400 -0.092 0.000 0.832 132 E CB -0.154 29.556 29.700 0.017 0.000 0.790 132 E HN 0.078 nan 8.360 nan 0.000 0.465 133 L N 1.645 122.881 121.223 0.022 0.000 1.955 133 L HA -0.176 4.164 4.340 0.000 0.000 0.213 133 L C 2.313 179.195 176.870 0.021 0.000 1.072 133 L CA 1.410 56.296 54.840 0.077 0.000 0.755 133 L CB -0.652 41.453 42.059 0.075 0.000 0.888 133 L HN 0.140 nan 8.230 nan 0.000 0.432 134 L N 0.096 121.298 121.223 -0.035 0.000 2.034 134 L HA -0.181 4.159 4.340 0.000 0.000 0.217 134 L C -0.553 176.282 176.870 -0.058 0.000 1.077 134 L CA 2.379 57.179 54.840 -0.066 0.000 0.769 134 L CB -1.900 40.122 42.059 -0.062 0.000 0.890 134 L HN 0.230 nan 8.230 nan 0.000 0.435 135 P HA -0.130 nan 4.420 nan 0.000 0.214 135 P C 1.374 178.660 177.300 -0.024 0.000 1.162 135 P CA 1.606 64.641 63.100 -0.108 0.000 0.879 135 P CB -0.242 31.321 31.700 -0.229 0.000 0.786 136 H N -0.354 118.747 119.070 0.051 0.000 2.352 136 H HA -0.052 4.504 4.556 0.000 0.000 0.299 136 H C 1.973 177.387 175.328 0.143 0.000 1.097 136 H CA 1.672 57.775 56.048 0.091 0.000 1.311 136 H CB -1.165 28.645 29.762 0.080 0.000 1.377 136 H HN 0.047 nan 8.280 nan 0.000 0.504 137 A N 1.616 124.568 122.820 0.220 0.000 1.883 137 A HA -0.146 4.174 4.320 0.000 0.000 0.217 137 A C 2.519 180.204 177.584 0.168 0.000 1.186 137 A CA 1.525 53.657 52.037 0.158 0.000 0.624 137 A CB -0.579 18.291 19.000 -0.216 0.000 0.822 137 A HN 0.218 nan 8.150 nan 0.000 0.444 138 I N 0.155 120.776 120.570 0.085 0.000 2.208 138 I HA -0.234 3.936 4.170 0.000 0.000 0.245 138 I C 2.360 178.564 176.117 0.144 0.000 1.097 138 I CA 1.651 63.005 61.300 0.091 0.000 1.363 138 I CB -1.671 36.356 38.000 0.045 0.000 1.051 138 I HN 0.495 nan 8.210 nan 0.000 0.413 139 E N 0.359 120.660 120.200 0.168 0.000 2.038 139 E HA -0.269 4.081 4.350 0.000 0.000 0.195 139 E C 2.178 178.902 176.600 0.208 0.000 1.000 139 E CA 1.415 57.921 56.400 0.177 0.000 0.803 139 E CB -0.383 29.438 29.700 0.201 0.000 0.750 139 E HN 0.386 nan 8.360 nan 0.000 0.448 140 F N 1.689 121.735 119.950 0.160 0.000 2.095 140 F HA -0.207 4.320 4.527 0.000 0.000 0.298 140 F C 2.008 177.918 175.800 0.183 0.000 1.104 140 F CA 1.395 59.508 58.000 0.188 0.000 1.232 140 F CB -0.222 38.905 39.000 0.212 0.000 0.987 140 F HN -0.090 nan 8.300 nan 0.000 0.475 141 I N 0.498 121.039 120.570 -0.049 0.000 2.286 141 I HA -0.320 3.850 4.170 0.000 0.000 0.248 141 I C 1.922 177.988 176.117 -0.085 0.000 1.115 141 I CA 1.162 62.394 61.300 -0.114 0.000 1.392 141 I CB -0.623 37.468 38.000 0.152 0.000 1.065 141 I HN 0.206 nan 8.210 nan 0.000 0.418 142 N N 0.499 119.208 118.700 0.015 0.000 2.331 142 N HA -0.206 4.534 4.740 0.000 0.000 0.180 142 N C 1.781 177.234 175.510 -0.094 0.000 1.019 142 N CA 0.950 54.019 53.050 0.032 0.000 0.881 142 N CB -0.195 38.390 38.487 0.163 0.000 0.972 142 N HN 0.533 nan 8.380 nan 0.000 0.435 143 Q N 0.062 119.797 119.800 -0.108 0.000 2.020 143 Q HA -0.171 4.169 4.340 0.000 0.000 0.198 143 Q C 2.086 177.870 176.000 -0.359 0.000 0.974 143 Q CA 1.008 56.753 55.803 -0.096 0.000 0.829 143 Q CB -0.301 28.481 28.738 0.074 0.000 0.894 143 Q HN 0.371 nan 8.270 nan 0.000 0.433 144 Y N -0.010 119.801 120.300 -0.815 0.000 2.053 144 Y HA -0.342 4.208 4.550 0.000 0.000 0.277 144 Y C 1.745 176.815 175.900 -1.384 0.000 1.159 144 Y CA 2.279 59.486 58.100 -1.490 0.000 1.125 144 Y CB -0.500 37.084 38.460 -1.461 0.000 0.969 144 Y HN 0.236 nan 8.280 nan 0.000 0.492 145 Y N -0.249 119.579 120.300 -0.787 0.000 2.293 145 Y HA -0.003 4.547 4.550 0.000 0.000 0.291 145 Y C 2.549 178.161 175.900 -0.481 0.000 1.137 145 Y CA 1.289 58.987 58.100 -0.670 0.000 1.202 145 Y CB -0.776 37.255 38.460 -0.716 0.000 0.990 145 Y HN 0.241 nan 8.280 nan 0.000 0.537 146 G N -1.978 106.638 108.800 -0.306 0.000 2.920 146 G HA2 -0.098 3.862 3.960 0.000 0.000 0.208 146 G HA3 -0.098 3.862 3.960 0.000 0.000 0.208 146 G C 1.726 176.496 174.900 -0.218 0.000 1.159 146 G CA 0.770 45.794 45.100 -0.127 0.000 0.784 146 G HN 0.363 nan 8.290 nan 0.000 0.535 147 S N 0.451 115.816 115.700 -0.558 0.000 2.348 147 S HA 0.181 4.651 4.470 0.000 0.000 0.219 147 S C 1.004 175.413 174.600 -0.317 0.000 1.033 147 S CA -0.061 57.824 58.200 -0.525 0.000 0.974 147 S CB -0.296 62.322 63.200 -0.970 0.000 0.868 147 S HN 0.339 nan 8.310 nan 0.000 0.459 148 F N 1.741 121.528 119.950 -0.272 0.000 2.370 148 F HA 0.561 5.088 4.527 0.000 0.000 0.324 148 F C 0.316 176.057 175.800 -0.098 0.000 1.116 148 F CA -1.516 56.382 58.000 -0.170 0.000 1.123 148 F CB 0.513 39.385 39.000 -0.213 0.000 1.238 148 F HN -0.023 nan 8.300 nan 0.000 0.536 149 K N 0.724 121.229 120.400 0.175 0.000 2.180 149 K HA 0.009 4.329 4.320 0.000 0.000 0.251 149 K C -0.165 176.448 176.600 0.022 0.000 1.014 149 K CA -0.185 56.149 56.287 0.078 0.000 0.913 149 K CB 0.323 32.848 32.500 0.043 0.000 1.008 149 K HN 0.808 nan 8.250 nan 0.000 0.490 150 E N -0.887 119.313 120.200 0.001 0.000 2.560 150 E HA -0.212 4.138 4.350 0.000 0.000 0.158 150 E C -0.639 175.917 176.600 -0.073 0.000 1.709 150 E CA 0.916 57.292 56.400 -0.041 0.000 0.653 150 E CB -1.928 27.729 29.700 -0.072 0.000 1.090 150 E HN 0.737 nan 8.360 nan 0.000 0.355 151 A N 2.425 125.248 122.820 0.004 0.000 2.475 151 A HA 0.173 4.493 4.320 0.000 0.000 0.239 151 A C 0.750 178.326 177.584 -0.013 0.000 1.087 151 A CA 0.551 52.620 52.037 0.054 0.000 0.779 151 A CB 0.403 19.472 19.000 0.115 0.000 1.036 151 A HN 0.345 nan 8.150 nan 0.000 0.506 152 K N 1.446 121.878 120.400 0.053 0.000 3.084 152 K HA 0.267 4.587 4.320 0.000 0.000 0.172 152 K C 0.001 176.630 176.600 0.049 0.000 1.078 152 K CA -0.271 56.028 56.287 0.019 0.000 0.875 152 K CB 0.291 32.793 32.500 0.004 0.000 1.064 152 K HN 0.536 nan 8.250 nan 0.000 0.597 153 I N 0.661 121.256 120.570 0.041 0.000 2.181 153 I HA -0.385 3.785 4.170 0.000 0.000 0.247 153 I C 2.400 178.477 176.117 -0.067 0.000 1.081 153 I CA 1.610 62.909 61.300 -0.002 0.000 1.340 153 I CB -0.288 37.695 38.000 -0.029 0.000 1.036 153 I HN 0.459 nan 8.210 nan 0.000 0.417 154 E N 0.814 120.982 120.200 -0.054 0.000 2.017 154 E HA -0.231 4.119 4.350 0.000 0.000 0.193 154 E C 2.228 178.776 176.600 -0.086 0.000 0.997 154 E CA 1.517 57.879 56.400 -0.063 0.000 0.804 154 E CB -0.245 29.432 29.700 -0.038 0.000 0.757 154 E HN 0.579 nan 8.360 nan 0.000 0.448 155 E N -0.474 119.682 120.200 -0.073 0.000 2.097 155 E HA -0.241 4.109 4.350 0.000 0.000 0.196 155 E C 2.137 178.503 176.600 -0.390 0.000 1.000 155 E CA 1.242 57.589 56.400 -0.088 0.000 0.804 155 E CB -0.317 29.433 29.700 0.083 0.000 0.740 155 E HN 0.467 nan 8.360 nan 0.000 0.454 156 H N -0.115 118.480 119.070 -0.792 0.000 2.293 156 H HA -0.157 4.399 4.556 0.000 0.000 0.300 156 H C 2.132 177.176 175.328 -0.473 0.000 1.082 156 H CA 0.986 56.363 56.048 -1.119 0.000 1.308 156 H CB 0.183 29.585 29.762 -0.601 0.000 1.375 156 H HN 0.031 nan 8.280 nan 0.000 0.495 157 L N 1.040 122.128 121.223 -0.226 0.000 1.989 157 L HA -0.144 4.196 4.340 0.000 0.000 0.211 157 L C 2.964 179.773 176.870 -0.101 0.000 1.071 157 L CA 1.839 56.565 54.840 -0.189 0.000 0.749 157 L CB -1.404 40.556 42.059 -0.166 0.000 0.890 157 L HN 0.450 nan 8.230 nan 0.000 0.431 158 A N -0.737 122.031 122.820 -0.087 0.000 1.892 158 A HA -0.296 4.024 4.320 0.000 0.000 0.218 158 A C 2.485 180.063 177.584 -0.009 0.000 1.188 158 A CA 2.145 54.158 52.037 -0.039 0.000 0.631 158 A CB -0.532 18.454 19.000 -0.024 0.000 0.822 158 A HN 0.334 nan 8.150 nan 0.000 0.447 159 R N -0.020 120.472 120.500 -0.014 0.000 2.075 159 R HA 0.008 4.348 4.340 0.000 0.000 0.232 159 R C 1.952 178.297 176.300 0.076 0.000 1.126 159 R CA 1.625 57.772 56.100 0.077 0.000 0.963 159 R CB -0.934 29.485 30.300 0.198 0.000 0.858 159 R HN 0.533 nan 8.270 nan 0.000 0.435 160 L N 0.470 121.728 121.223 0.059 0.000 2.012 160 L HA -0.205 4.135 4.340 0.000 0.000 0.210 160 L C 2.632 179.504 176.870 0.004 0.000 1.073 160 L CA 1.814 56.682 54.840 0.047 0.000 0.748 160 L CB -0.671 41.404 42.059 0.025 0.000 0.891 160 L HN 0.339 nan 8.230 nan 0.000 0.431 161 E N 0.490 120.684 120.200 -0.009 0.000 2.038 161 E HA -0.259 4.091 4.350 0.000 0.000 0.195 161 E C 2.186 178.786 176.600 -0.000 0.000 1.000 161 E CA 1.681 58.073 56.400 -0.013 0.000 0.803 161 E CB -0.064 29.625 29.700 -0.019 0.000 0.750 161 E HN 0.428 nan 8.360 nan 0.000 0.448 162 A N 0.637 123.467 122.820 0.017 0.000 1.908 162 A HA -0.168 4.152 4.320 0.000 0.000 0.218 162 A C 2.598 180.205 177.584 0.037 0.000 1.181 162 A CA 1.892 53.950 52.037 0.034 0.000 0.627 162 A CB -0.742 18.292 19.000 0.056 0.000 0.818 162 A HN 0.209 nan 8.150 nan 0.000 0.445 163 V N -0.474 119.456 119.914 0.026 0.000 2.358 163 V HA -0.195 3.925 4.120 0.000 0.000 0.246 163 V C 2.717 178.756 176.094 -0.091 0.000 1.047 163 V CA 2.350 64.634 62.300 -0.027 0.000 1.035 163 V CB -1.250 30.515 31.823 -0.096 0.000 0.658 163 V HN 0.612 nan 8.190 nan 0.000 0.452 164 T N -0.244 114.268 114.554 -0.070 0.000 2.674 164 T HA -0.271 4.079 4.350 0.000 0.000 0.265 164 T C 1.969 176.649 174.700 -0.033 0.000 1.039 164 T CA 2.001 64.062 62.100 -0.064 0.000 1.150 164 T CB -0.217 68.624 68.868 -0.044 0.000 0.864 164 T HN 0.386 nan 8.240 nan 0.000 0.427 165 K N 1.029 121.421 120.400 -0.012 0.000 2.032 165 K HA -0.163 4.157 4.320 0.000 0.000 0.209 165 K C 2.336 178.945 176.600 0.016 0.000 1.048 165 K CA 1.714 58.003 56.287 0.003 0.000 0.927 165 K CB -0.120 32.386 32.500 0.010 0.000 0.712 165 K HN 0.404 nan 8.250 nan 0.000 0.441 166 E N 0.117 120.335 120.200 0.030 0.000 2.153 166 E HA -0.179 4.171 4.350 0.000 0.000 0.194 166 E C 1.855 178.493 176.600 0.063 0.000 0.988 166 E CA 1.221 57.658 56.400 0.061 0.000 0.811 166 E CB -0.013 29.751 29.700 0.108 0.000 0.746 166 E HN 0.387 nan 8.360 nan 0.000 0.466 167 I N 1.310 121.898 120.570 0.031 0.000 2.286 167 I HA -0.241 3.929 4.170 0.000 0.000 0.245 167 I C 2.264 178.395 176.117 0.024 0.000 1.104 167 I CA 1.355 62.674 61.300 0.030 0.000 1.397 167 I CB -0.363 37.618 38.000 -0.032 0.000 1.072 167 I HN 0.198 nan 8.210 nan 0.000 0.417 168 E N 0.598 120.803 120.200 0.009 0.000 2.274 168 E HA -0.166 4.184 4.350 0.000 0.000 0.194 168 E C 1.843 178.452 176.600 0.016 0.000 0.996 168 E CA 1.695 58.100 56.400 0.009 0.000 0.840 168 E CB -0.435 29.265 29.700 0.001 0.000 0.772 168 E HN 0.549 nan 8.360 nan 0.000 0.491 169 T N -1.163 113.404 114.554 0.022 0.000 3.035 169 T HA -0.026 4.324 4.350 0.000 0.000 0.259 169 T C 2.068 176.786 174.700 0.031 0.000 1.078 169 T CA 1.151 63.266 62.100 0.025 0.000 1.132 169 T CB -0.003 68.880 68.868 0.026 0.000 0.900 169 T HN 0.292 nan 8.240 nan 0.000 0.480 170 T N -3.210 111.368 114.554 0.041 0.000 2.959 170 T HA 0.536 4.886 4.350 0.000 0.000 0.254 170 T C 1.904 176.632 174.700 0.046 0.000 1.003 170 T CA 0.704 62.831 62.100 0.045 0.000 0.950 170 T CB 0.093 68.995 68.868 0.057 0.000 1.090 170 T HN 0.869 nan 8.240 nan 0.000 0.503 171 G N 0.395 109.225 108.800 0.049 0.000 2.195 171 G HA2 -0.180 3.780 3.960 0.000 0.000 0.246 171 G HA3 -0.180 3.780 3.960 0.000 0.000 0.246 171 G C 0.238 175.180 174.900 0.070 0.000 0.984 171 G CA 0.732 45.861 45.100 0.047 0.000 0.633 171 G HN 1.052 nan 8.290 nan 0.000 0.525 172 T N -1.515 113.100 114.554 0.101 0.000 2.606 172 T HA 0.724 5.074 4.350 0.000 0.000 0.289 172 T C -1.493 173.377 174.700 0.284 0.000 1.113 172 T CA 0.692 62.894 62.100 0.170 0.000 1.106 172 T CB 1.200 70.117 68.868 0.083 0.000 1.611 172 T HN 1.775 nan 8.240 nan 0.000 0.471 173 Y N -0.523 119.780 120.300 0.005 0.000 2.702 173 Y HA 0.759 5.309 4.550 0.000 0.000 0.336 173 Y C -1.867 174.045 175.900 0.020 0.000 1.203 173 Y CA -1.223 56.889 58.100 0.021 0.000 1.072 173 Y CB 0.671 39.154 38.460 0.038 0.000 1.327 173 Y HN 0.478 nan 8.280 nan 0.000 0.456 174 Q N 2.393 122.169 119.800 -0.041 0.000 2.312 174 Q HA 0.529 4.869 4.340 0.000 0.000 0.263 174 Q C -0.853 175.090 176.000 -0.095 0.000 0.995 174 Q CA -0.783 54.942 55.803 -0.130 0.000 0.853 174 Q CB 2.801 31.528 28.738 -0.017 0.000 1.300 174 Q HN 0.857 nan 8.270 nan 0.000 0.448 175 L N 1.568 122.704 121.223 -0.145 0.000 2.417 175 L HA 0.293 4.633 4.340 0.000 0.000 0.268 175 L C 1.131 178.001 176.870 0.000 0.000 1.158 175 L CA -0.396 54.424 54.840 -0.034 0.000 0.819 175 L CB 0.642 42.674 42.059 -0.046 0.000 1.112 175 L HN 0.668 nan 8.230 nan 0.000 0.458 176 T N -0.889 113.668 114.554 0.006 0.000 2.828 176 T HA 0.117 4.467 4.350 0.000 0.000 0.290 176 T C 0.962 175.656 174.700 -0.010 0.000 1.019 176 T CA -0.701 61.398 62.100 -0.001 0.000 1.031 176 T CB 1.033 69.892 68.868 -0.014 0.000 1.001 176 T HN 0.475 nan 8.240 nan 0.000 0.531 177 L N 0.758 121.982 121.223 0.001 0.000 2.079 177 L HA -0.066 4.274 4.340 0.000 0.000 0.210 177 L C 2.085 178.971 176.870 0.027 0.000 1.081 177 L CA 1.964 56.802 54.840 -0.003 0.000 0.752 177 L CB -0.964 41.094 42.059 -0.003 0.000 0.896 177 L HN 0.736 nan 8.230 nan 0.000 0.433 178 D N -0.486 119.950 120.400 0.059 0.000 2.117 178 D HA -0.183 4.457 4.640 0.000 0.000 0.198 178 D C 2.017 178.448 176.300 0.218 0.000 0.982 178 D CA 1.476 55.566 54.000 0.150 0.000 0.828 178 D CB 0.018 40.953 40.800 0.226 0.000 0.967 178 D HN 0.558 nan 8.370 nan 0.000 0.464 179 E N 0.694 120.895 120.200 0.003 0.000 2.110 179 E HA -0.102 4.248 4.350 0.000 0.000 0.193 179 E C 2.306 179.090 176.600 0.308 0.000 0.988 179 E CA 0.161 56.590 56.400 0.047 0.000 0.804 179 E CB -0.014 29.616 29.700 -0.117 0.000 0.745 179 E HN 0.206 nan 8.360 nan 0.000 0.458 180 L N 1.029 122.315 121.223 0.105 0.000 1.989 180 L HA -0.220 4.120 4.340 0.000 0.000 0.211 180 L C 2.364 179.255 176.870 0.035 0.000 1.071 180 L CA 1.446 56.283 54.840 -0.004 0.000 0.749 180 L CB -0.232 41.768 42.059 -0.098 0.000 0.890 180 L HN 0.211 nan 8.230 nan 0.000 0.431 181 I N -0.889 119.728 120.570 0.077 0.000 2.163 181 I HA -0.384 3.786 4.170 0.000 0.000 0.243 181 I C 2.465 178.696 176.117 0.191 0.000 1.085 181 I CA 1.556 62.908 61.300 0.086 0.000 1.347 181 I CB -0.437 37.616 38.000 0.088 0.000 1.044 181 I HN 0.236 nan 8.210 nan 0.000 0.408 182 F N 1.892 121.932 119.950 0.151 0.000 2.095 182 F HA -0.271 4.256 4.527 0.000 0.000 0.298 182 F C 2.492 178.413 175.800 0.203 0.000 1.104 182 F CA 1.541 59.663 58.000 0.202 0.000 1.232 182 F CB -0.483 38.698 39.000 0.302 0.000 0.987 182 F HN 0.013 nan 8.300 nan 0.000 0.475 183 A N -0.059 122.894 122.820 0.220 0.000 1.883 183 A HA -0.246 4.074 4.320 0.000 0.000 0.217 183 A C 2.288 179.791 177.584 -0.136 0.000 1.186 183 A CA 2.824 54.863 52.037 0.003 0.000 0.624 183 A CB -1.716 17.249 19.000 -0.057 0.000 0.822 183 A HN 0.572 nan 8.150 nan 0.000 0.444 184 T N -1.860 112.656 114.554 -0.063 0.000 2.788 184 T HA -0.144 4.206 4.350 0.000 0.000 0.268 184 T C 1.815 176.580 174.700 0.107 0.000 1.044 184 T CA 1.676 63.777 62.100 0.001 0.000 1.139 184 T CB -0.307 68.572 68.868 0.019 0.000 0.867 184 T HN 0.546 nan 8.240 nan 0.000 0.454 185 K N 0.104 120.580 120.400 0.127 0.000 2.062 185 K HA 0.111 4.431 4.320 0.000 0.000 0.205 185 K C 2.545 179.215 176.600 0.117 0.000 1.051 185 K CA 1.119 57.592 56.287 0.310 0.000 0.941 185 K CB -0.216 32.520 32.500 0.394 0.000 0.719 185 K HN 0.223 nan 8.250 nan 0.000 0.440 186 M N 0.719 120.199 119.600 -0.200 0.000 2.117 186 M HA -0.108 4.372 4.480 0.000 0.000 0.262 186 M C 2.445 178.590 176.300 -0.257 0.000 1.065 186 M CA 1.510 56.586 55.300 -0.373 0.000 1.114 186 M CB -1.171 31.082 32.600 -0.578 0.000 1.361 186 M HN 0.167 nan 8.290 nan 0.000 0.408 187 A N -0.465 122.188 122.820 -0.277 0.000 1.883 187 A HA -0.227 4.093 4.320 0.000 0.000 0.217 187 A C 2.038 179.501 177.584 -0.202 0.000 1.186 187 A CA 1.704 53.466 52.037 -0.458 0.000 0.624 187 A CB -1.251 17.085 19.000 -1.106 0.000 0.822 187 A HN 0.672 nan 8.150 nan 0.000 0.444 188 W N 1.155 122.372 121.300 -0.138 0.000 2.332 188 W HA -0.188 4.472 4.660 0.000 0.000 0.321 188 W C 2.359 178.788 176.519 -0.150 0.000 1.219 188 W CA 1.834 59.146 57.345 -0.055 0.000 1.277 188 W CB -0.849 28.594 29.460 -0.029 0.000 1.161 188 W HN 0.357 nan 8.180 nan 0.000 0.476 189 R N -0.268 120.160 120.500 -0.121 0.000 2.117 189 R HA -0.210 4.130 4.340 0.000 0.000 0.243 189 R C 1.438 177.617 176.300 -0.201 0.000 1.143 189 R CA 1.686 57.576 56.100 -0.349 0.000 0.968 189 R CB -0.887 29.040 30.300 -0.622 0.000 0.863 189 R HN 0.156 nan 8.270 nan 0.000 0.444 190 N N 0.400 118.997 118.700 -0.171 0.000 2.434 190 N HA 0.038 4.779 4.740 0.000 0.000 0.196 190 N C -0.565 174.859 175.510 -0.142 0.000 1.183 190 N CA 0.294 53.272 53.050 -0.119 0.000 0.849 190 N CB 0.586 39.047 38.487 -0.044 0.000 0.992 190 N HN 0.160 nan 8.380 nan 0.000 0.460 191 A N 1.869 124.594 122.820 -0.158 0.000 2.506 191 A HA 0.277 4.597 4.320 0.000 0.000 0.320 191 A C -1.093 176.404 177.584 -0.145 0.000 1.424 191 A CA -1.232 50.660 52.037 -0.242 0.000 1.044 191 A CB 0.552 19.458 19.000 -0.155 0.000 1.140 191 A HN -0.012 nan 8.150 nan 0.000 0.538 192 P HA -0.154 nan 4.420 nan 0.000 0.225 192 P C 0.788 178.012 177.300 -0.125 0.000 1.148 192 P CA 1.013 64.046 63.100 -0.112 0.000 0.779 192 P CB 0.221 31.845 31.700 -0.126 0.000 0.780 193 R N -1.370 119.014 120.500 -0.194 0.000 2.334 193 R HA 0.153 4.493 4.340 0.000 0.000 0.216 193 R C 0.497 176.779 176.300 -0.029 0.000 0.905 193 R CA -0.183 55.824 56.100 -0.154 0.000 1.064 193 R CB -0.125 29.866 30.300 -0.516 0.000 1.046 193 R HN 0.172 nan 8.270 nan 0.000 0.508 194 C N 0.722 119.981 119.300 -0.069 0.000 2.273 194 C HA 0.403 4.863 4.460 0.000 0.000 0.328 194 C C 1.498 176.432 174.990 -0.093 0.000 1.275 194 C CA -0.732 58.269 59.018 -0.030 0.000 1.704 194 C CB -0.312 27.457 27.740 0.048 0.000 2.326 194 C HN 0.473 nan 8.230 nan 0.000 0.517 195 I N 4.452 124.936 120.570 -0.143 0.000 3.684 195 I HA 0.142 4.312 4.170 0.000 0.000 0.304 195 I C 2.106 178.249 176.117 0.043 0.000 1.278 195 I CA 0.872 62.044 61.300 -0.214 0.000 1.272 195 I CB -0.186 37.681 38.000 -0.223 0.000 1.029 195 I HN 0.946 nan 8.210 nan 0.000 0.458 196 G N 0.498 109.310 108.800 0.020 0.000 3.233 196 G HA2 0.017 3.977 3.960 0.000 0.000 0.227 196 G HA3 0.017 3.977 3.960 0.000 0.000 0.227 196 G C 1.375 176.237 174.900 -0.062 0.000 1.175 196 G CA -0.353 44.749 45.100 0.003 0.000 0.781 196 G HN 0.238 nan 8.290 nan 0.000 0.542 197 R N -0.148 120.252 120.500 -0.167 0.000 2.397 197 R HA 0.074 4.414 4.340 0.000 0.000 0.213 197 R C 1.888 177.605 176.300 -0.971 0.000 1.102 197 R CA 0.235 55.932 56.100 -0.673 0.000 1.040 197 R CB -0.191 29.753 30.300 -0.592 0.000 0.844 197 R HN 0.452 nan 8.270 nan 0.000 0.478 198 I N 0.464 120.704 120.570 -0.551 0.000 2.928 198 I HA -0.193 3.977 4.170 0.000 0.000 0.266 198 I C 1.431 177.425 176.117 -0.204 0.000 1.234 198 I CA 0.984 62.133 61.300 -0.253 0.000 1.483 198 I CB 0.199 38.194 38.000 -0.008 0.000 1.097 198 I HN 0.172 nan 8.210 nan 0.000 0.455 199 Q N 0.577 120.180 119.800 -0.329 0.000 2.424 199 Q HA -0.109 4.231 4.340 0.000 0.000 0.204 199 Q C 1.713 177.240 176.000 -0.788 0.000 0.933 199 Q CA 0.600 56.212 55.803 -0.319 0.000 0.929 199 Q CB -0.259 28.465 28.738 -0.023 0.000 1.037 199 Q HN 0.772 nan 8.270 nan 0.000 0.511 200 W N 0.477 120.842 121.300 -1.558 0.000 2.256 200 W HA -0.309 4.351 4.660 0.000 0.000 0.311 200 W C 1.400 177.571 176.519 -0.579 0.000 1.258 200 W CA 1.466 57.692 57.345 -1.864 0.000 1.269 200 W CB -1.394 27.353 29.460 -1.188 0.000 1.134 200 W HN 0.089 nan 8.180 nan 0.000 0.518 201 S N 1.393 116.194 115.700 -1.498 0.000 2.383 201 S HA -0.109 4.361 4.470 0.000 0.000 0.227 201 S C 0.606 174.951 174.600 -0.425 0.000 1.026 201 S CA 0.753 58.220 58.200 -1.222 0.000 0.981 201 S CB -0.705 61.696 63.200 -1.333 0.000 0.818 201 S HN 0.413 nan 8.310 nan 0.000 0.472 202 N N 1.439 119.999 118.700 -0.233 0.000 2.555 202 N HA 0.378 5.118 4.740 0.000 0.000 0.244 202 N C -1.206 174.399 175.510 0.158 0.000 1.114 202 N CA -0.176 52.865 53.050 -0.015 0.000 0.963 202 N CB 0.734 39.242 38.487 0.034 0.000 1.276 202 N HN 0.175 nan 8.380 nan 0.000 0.510 203 L N 1.886 123.166 121.223 0.095 0.000 2.470 203 L HA 0.300 4.640 4.340 0.000 0.000 0.268 203 L C -1.012 175.802 176.870 -0.093 0.000 0.964 203 L CA -0.780 54.094 54.840 0.055 0.000 0.839 203 L CB 1.991 44.132 42.059 0.137 0.000 1.276 203 L HN 0.280 nan 8.230 nan 0.000 0.403 204 Q N 3.023 122.701 119.800 -0.204 0.000 2.267 204 Q HA 0.623 4.963 4.340 0.000 0.000 0.255 204 Q C -1.704 173.907 176.000 -0.649 0.000 0.923 204 Q CA -0.159 55.359 55.803 -0.475 0.000 0.925 204 Q CB 1.550 29.856 28.738 -0.720 0.000 1.195 204 Q HN 0.523 nan 8.270 nan 0.000 0.417 205 V N 5.901 125.435 119.914 -0.633 0.000 2.350 205 V HA 0.399 4.519 4.120 0.000 0.000 0.285 205 V C -1.022 174.725 176.094 -0.579 0.000 1.014 205 V CA -0.613 61.368 62.300 -0.531 0.000 0.831 205 V CB 0.638 32.295 31.823 -0.276 0.000 1.000 205 V HN 0.666 nan 8.190 nan 0.000 0.433 206 F N 2.768 122.524 119.950 -0.322 0.000 2.371 206 F HA 0.364 4.891 4.527 0.000 0.000 0.363 206 F C 0.577 176.172 175.800 -0.341 0.000 1.122 206 F CA -1.240 56.570 58.000 -0.316 0.000 1.129 206 F CB 0.783 39.583 39.000 -0.335 0.000 1.173 206 F HN 0.443 nan 8.300 nan 0.000 0.489 207 D N 3.272 123.610 120.400 -0.103 0.000 2.352 207 D HA 0.396 5.036 4.640 0.000 0.000 0.245 207 D C 0.109 176.247 176.300 -0.270 0.000 1.224 207 D CA 0.117 54.003 54.000 -0.190 0.000 0.879 207 D CB 0.909 41.637 40.800 -0.120 0.000 1.057 207 D HN 0.593 nan 8.370 nan 0.000 0.491 208 A N 4.586 127.116 122.820 -0.483 0.000 2.676 208 A HA 0.183 4.503 4.320 0.000 0.000 0.297 208 A C 1.600 178.915 177.584 -0.449 0.000 1.132 208 A CA -0.434 51.191 52.037 -0.686 0.000 0.972 208 A CB 0.072 18.142 19.000 -1.549 0.000 1.197 208 A HN 0.552 nan 8.150 nan 0.000 0.524 209 R N 0.561 120.900 120.500 -0.268 0.000 2.237 209 R HA -0.137 4.203 4.340 0.000 0.000 0.219 209 R C 1.166 177.389 176.300 -0.128 0.000 1.080 209 R CA 1.559 57.562 56.100 -0.162 0.000 0.995 209 R CB -0.114 30.149 30.300 -0.062 0.000 0.875 209 R HN 0.785 nan 8.270 nan 0.000 0.462 210 N N -0.729 117.917 118.700 -0.091 0.000 2.398 210 N HA -0.048 4.692 4.740 0.000 0.000 0.188 210 N C 0.341 175.870 175.510 0.032 0.000 1.122 210 N CA -0.121 52.919 53.050 -0.016 0.000 0.866 210 N CB -0.143 38.351 38.487 0.012 0.000 0.970 210 N HN 0.018 nan 8.380 nan 0.000 0.462 211 C N 0.676 119.976 119.300 -0.001 0.000 2.702 211 C HA 0.296 4.756 4.460 0.000 0.000 0.411 211 C C 1.604 176.752 174.990 0.263 0.000 1.286 211 C CA 0.573 59.688 59.018 0.161 0.000 1.979 211 C CB -0.113 27.770 27.740 0.239 0.000 2.728 211 C HN 0.700 nan 8.230 nan 0.000 0.652 212 S N 0.978 116.909 115.700 0.385 0.000 2.612 212 S HA 0.200 4.670 4.470 0.000 0.000 0.278 212 S C 0.172 174.960 174.600 0.313 0.000 1.082 212 S CA 0.386 58.835 58.200 0.415 0.000 1.185 212 S CB -0.119 63.220 63.200 0.231 0.000 1.077 212 S HN 1.059 nan 8.310 nan 0.000 0.585 213 T N -1.335 113.384 114.554 0.276 0.000 2.916 213 T HA 0.852 5.202 4.350 0.000 0.000 0.292 213 T C 1.181 175.982 174.700 0.170 0.000 1.064 213 T CA -0.176 62.024 62.100 0.167 0.000 1.011 213 T CB 1.506 70.456 68.868 0.136 0.000 1.152 213 T HN 0.202 nan 8.240 nan 0.000 0.510 214 A N 0.455 123.344 122.820 0.115 0.000 1.898 214 A HA -0.051 4.269 4.320 0.000 0.000 0.216 214 A C 2.297 179.897 177.584 0.027 0.000 1.181 214 A CA 2.043 54.142 52.037 0.104 0.000 0.620 214 A CB -1.235 17.900 19.000 0.224 0.000 0.819 214 A HN 0.889 nan 8.150 nan 0.000 0.442 215 Q N 0.362 120.250 119.800 0.147 0.000 2.135 215 Q HA -0.192 4.148 4.340 0.000 0.000 0.204 215 Q C 1.705 177.749 176.000 0.074 0.000 0.981 215 Q CA 2.326 58.192 55.803 0.105 0.000 0.856 215 Q CB -0.409 28.446 28.738 0.195 0.000 0.902 215 Q HN 0.759 nan 8.270 nan 0.000 0.425 216 E N -0.759 119.515 120.200 0.122 0.000 2.152 216 E HA -0.117 4.233 4.350 0.000 0.000 0.192 216 E C 1.986 178.732 176.600 0.244 0.000 0.983 216 E CA 1.050 57.538 56.400 0.146 0.000 0.818 216 E CB -0.087 29.741 29.700 0.212 0.000 0.758 216 E HN 0.471 nan 8.360 nan 0.000 0.467 217 M N 0.012 119.761 119.600 0.248 0.000 2.077 217 M HA -0.134 4.346 4.480 0.000 0.000 0.261 217 M C 2.221 178.611 176.300 0.149 0.000 1.070 217 M CA 1.265 56.747 55.300 0.303 0.000 1.125 217 M CB -0.391 32.196 32.600 -0.022 0.000 1.339 217 M HN 0.121 nan 8.290 nan 0.000 0.409 218 F N 1.616 121.395 119.950 -0.285 0.000 2.115 218 F HA -0.327 4.200 4.527 0.000 0.000 0.300 218 F C 2.335 178.039 175.800 -0.160 0.000 1.092 218 F CA 2.025 59.784 58.000 -0.401 0.000 1.245 218 F CB -0.484 37.971 39.000 -0.909 0.000 0.995 218 F HN 0.191 nan 8.300 nan 0.000 0.481 219 Q N -1.097 118.605 119.800 -0.163 0.000 2.050 219 Q HA -0.226 4.114 4.340 0.000 0.000 0.202 219 Q C 2.282 178.134 176.000 -0.247 0.000 0.980 219 Q CA 1.713 57.364 55.803 -0.253 0.000 0.840 219 Q CB -0.488 28.146 28.738 -0.174 0.000 0.898 219 Q HN 0.519 nan 8.270 nan 0.000 0.424 220 H N 0.291 119.316 119.070 -0.075 0.000 2.319 220 H HA -0.111 4.445 4.556 0.000 0.000 0.299 220 H C 2.175 177.467 175.328 -0.059 0.000 1.092 220 H CA 1.377 57.379 56.048 -0.076 0.000 1.302 220 H CB -0.155 29.622 29.762 0.026 0.000 1.373 220 H HN 0.255 nan 8.280 nan 0.000 0.497 221 I N -0.053 120.593 120.570 0.126 0.000 2.142 221 I HA -0.318 3.852 4.170 0.000 0.000 0.240 221 I C 2.788 178.844 176.117 -0.101 0.000 1.078 221 I CA 1.016 62.341 61.300 0.042 0.000 1.343 221 I CB -0.403 37.587 38.000 -0.018 0.000 1.046 221 I HN 0.222 nan 8.210 nan 0.000 0.405 222 C N 0.398 119.518 119.300 -0.300 0.000 2.398 222 C HA -0.224 4.236 4.460 0.000 0.000 0.276 222 C C 3.006 177.898 174.990 -0.163 0.000 1.222 222 C CA 1.369 60.198 59.018 -0.314 0.000 1.746 222 C CB -1.315 26.113 27.740 -0.521 0.000 2.039 222 C HN 0.484 nan 8.230 nan 0.000 0.470 223 R N -0.016 120.378 120.500 -0.177 0.000 2.083 223 R HA -0.197 4.143 4.340 0.000 0.000 0.237 223 R C 2.235 178.478 176.300 -0.096 0.000 1.137 223 R CA 2.172 58.161 56.100 -0.186 0.000 0.951 223 R CB -0.797 29.307 30.300 -0.327 0.000 0.851 223 R HN 0.799 nan 8.270 nan 0.000 0.434 224 H N -0.094 118.861 119.070 -0.190 0.000 2.265 224 H HA -0.165 4.391 4.556 0.000 0.000 0.295 224 H C 2.172 177.588 175.328 0.147 0.000 1.084 224 H CA 2.273 58.344 56.048 0.038 0.000 1.261 224 H CB -0.126 29.694 29.762 0.098 0.000 1.360 224 H HN 0.229 nan 8.280 nan 0.000 0.487 225 I N 0.133 120.810 120.570 0.179 0.000 2.113 225 I HA -0.318 3.852 4.170 0.000 0.000 0.242 225 I C 2.619 178.811 176.117 0.124 0.000 1.064 225 I CA 1.260 62.609 61.300 0.082 0.000 1.320 225 I CB -0.309 37.672 38.000 -0.032 0.000 1.028 225 I HN 0.346 nan 8.210 nan 0.000 0.406 226 L N 0.113 121.385 121.223 0.082 0.000 2.012 226 L HA -0.289 4.051 4.340 0.000 0.000 0.210 226 L C 2.472 179.408 176.870 0.110 0.000 1.073 226 L CA 1.966 56.845 54.840 0.065 0.000 0.748 226 L CB -0.991 41.083 42.059 0.024 0.000 0.891 226 L HN 0.307 nan 8.230 nan 0.000 0.431 227 Y N 0.195 120.553 120.300 0.096 0.000 2.114 227 Y HA -0.223 4.327 4.550 0.000 0.000 0.284 227 Y C 2.397 178.406 175.900 0.182 0.000 1.143 227 Y CA 2.162 60.359 58.100 0.161 0.000 1.135 227 Y CB -0.748 37.894 38.460 0.304 0.000 0.980 227 Y HN 0.235 nan 8.280 nan 0.000 0.499 228 A N -0.492 122.474 122.820 0.243 0.000 1.908 228 A HA -0.199 4.121 4.320 0.000 0.000 0.218 228 A C 2.208 179.815 177.584 0.038 0.000 1.181 228 A CA 2.386 54.520 52.037 0.162 0.000 0.627 228 A CB -1.400 17.837 19.000 0.394 0.000 0.818 228 A HN 0.555 nan 8.150 nan 0.000 0.445 229 T N -0.184 114.405 114.554 0.058 0.000 2.746 229 T HA -0.129 4.221 4.350 0.000 0.000 0.267 229 T C 1.168 175.863 174.700 -0.009 0.000 1.039 229 T CA 1.242 63.370 62.100 0.048 0.000 1.142 229 T CB -0.454 68.445 68.868 0.052 0.000 0.866 229 T HN 0.647 nan 8.240 nan 0.000 0.444 230 N N 1.947 120.608 118.700 -0.066 0.000 2.693 230 N HA -0.286 4.454 4.740 0.000 0.000 0.250 230 N C 0.094 175.575 175.510 -0.048 0.000 1.033 230 N CA 0.965 53.959 53.050 -0.092 0.000 0.747 230 N CB -2.106 36.283 38.487 -0.163 0.000 0.964 230 N HN 0.688 nan 8.380 nan 0.000 0.540 231 N N -2.000 116.686 118.700 -0.024 0.000 2.754 231 N HA -0.229 4.511 4.740 0.000 0.000 0.248 231 N C 0.866 176.363 175.510 -0.023 0.000 1.093 231 N CA 1.141 54.179 53.050 -0.020 0.000 0.699 231 N CB -1.276 37.197 38.487 -0.023 0.000 1.016 231 N HN 1.047 nan 8.380 nan 0.000 0.552 232 G N 0.395 109.189 108.800 -0.010 0.000 2.284 232 G HA2 -0.333 3.627 3.960 0.000 0.000 0.230 232 G HA3 -0.333 3.627 3.960 0.000 0.000 0.230 232 G C -0.016 174.876 174.900 -0.012 0.000 1.021 232 G CA 0.351 45.447 45.100 -0.007 0.000 0.619 232 G HN 0.617 nan 8.290 nan 0.000 0.510 233 N N 1.805 120.483 118.700 -0.036 0.000 3.245 233 N HA 0.322 5.062 4.740 0.000 0.000 0.296 233 N C 0.691 176.172 175.510 -0.048 0.000 1.254 233 N CA -0.751 52.262 53.050 -0.062 0.000 1.190 233 N CB -0.228 38.218 38.487 -0.068 0.000 1.460 233 N HN 0.237 nan 8.380 nan 0.000 0.538 234 I N 2.032 122.601 120.570 -0.001 0.000 2.996 234 I HA -0.147 4.023 4.170 0.000 0.000 0.311 234 I C 0.732 176.941 176.117 0.153 0.000 1.219 234 I CA 1.158 62.520 61.300 0.103 0.000 1.452 234 I CB -0.190 37.957 38.000 0.246 0.000 1.319 234 I HN 0.415 nan 8.210 nan 0.000 0.564 235 R N 3.819 124.406 120.500 0.146 0.000 2.628 235 R HA 0.411 4.751 4.340 0.000 0.000 0.288 235 R C -0.510 175.935 176.300 0.241 0.000 0.980 235 R CA -0.686 55.518 56.100 0.172 0.000 0.891 235 R CB 2.020 32.275 30.300 -0.074 0.000 1.188 235 R HN 0.548 nan 8.270 nan 0.000 0.450 236 S N 1.282 117.121 115.700 0.231 0.000 2.565 236 S HA 0.610 5.080 4.470 0.000 0.000 0.276 236 S C -0.378 174.256 174.600 0.057 0.000 1.326 236 S CA -0.314 57.923 58.200 0.062 0.000 1.045 236 S CB 1.404 64.535 63.200 -0.116 0.000 0.918 236 S HN 0.703 nan 8.310 nan 0.000 0.505 237 A N 2.468 125.283 122.820 -0.008 0.000 2.601 237 A HA 0.833 5.153 4.320 0.000 0.000 0.291 237 A C -1.412 176.047 177.584 -0.209 0.000 1.075 237 A CA -0.641 51.279 52.037 -0.194 0.000 0.671 237 A CB 1.121 19.991 19.000 -0.217 0.000 1.277 237 A HN 0.794 nan 8.150 nan 0.000 0.417 238 I N 0.583 120.938 120.570 -0.358 0.000 2.827 238 I HA 0.696 4.866 4.170 0.000 0.000 0.298 238 I C -0.746 175.253 176.117 -0.197 0.000 1.235 238 I CA -0.174 61.053 61.300 -0.122 0.000 1.021 238 I CB 2.532 40.502 38.000 -0.051 0.000 1.259 238 I HN 0.983 nan 8.210 nan 0.000 0.427 239 T N 4.151 118.688 114.554 -0.027 0.000 2.812 239 T HA 0.647 4.997 4.350 0.000 0.000 0.282 239 T C -0.851 173.687 174.700 -0.271 0.000 0.990 239 T CA -0.607 61.403 62.100 -0.150 0.000 0.960 239 T CB 1.428 70.225 68.868 -0.118 0.000 0.948 239 T HN 0.251 nan 8.240 nan 0.000 0.438 240 V N 4.957 124.638 119.914 -0.389 0.000 2.364 240 V HA 0.475 4.595 4.120 0.000 0.000 0.272 240 V C -0.296 175.516 176.094 -0.471 0.000 1.036 240 V CA -0.686 61.392 62.300 -0.368 0.000 0.880 240 V CB -0.226 31.315 31.823 -0.470 0.000 0.991 240 V HN 0.840 nan 8.190 nan 0.000 0.460 241 F N 4.836 124.706 119.950 -0.133 0.000 2.364 241 F HA 0.498 5.025 4.527 0.000 0.000 0.316 241 F C -1.837 173.839 175.800 -0.207 0.000 1.133 241 F CA -2.461 55.386 58.000 -0.256 0.000 1.051 241 F CB 0.411 39.262 39.000 -0.249 0.000 1.342 241 F HN 0.300 nan 8.300 nan 0.000 0.507 242 P HA -0.056 nan 4.420 nan 0.000 0.261 242 P C -1.186 176.118 177.300 0.007 0.000 1.173 242 P CA 0.088 63.051 63.100 -0.229 0.000 0.760 242 P CB 0.111 31.493 31.700 -0.530 0.000 0.783 243 Q N 3.304 123.081 119.800 -0.038 0.000 2.392 243 Q HA 0.104 4.444 4.340 0.000 0.000 0.262 243 Q C 0.210 176.108 176.000 -0.170 0.000 1.003 243 Q CA -0.655 54.910 55.803 -0.398 0.000 0.888 243 Q CB 0.733 28.953 28.738 -0.863 0.000 1.260 243 Q HN 0.340 nan 8.270 nan 0.000 0.435 244 R N 1.620 122.020 120.500 -0.166 0.000 2.538 244 R HA -0.052 4.288 4.340 0.000 0.000 0.282 244 R C 0.181 176.456 176.300 -0.041 0.000 1.009 244 R CA 0.831 56.909 56.100 -0.036 0.000 1.063 244 R CB 0.492 30.761 30.300 -0.052 0.000 0.945 244 R HN 0.965 nan 8.270 nan 0.000 0.414 245 S N 2.710 118.437 115.700 0.044 0.000 2.440 245 S HA -0.073 4.397 4.470 0.000 0.000 0.194 245 S C 1.027 175.657 174.600 0.052 0.000 0.952 245 S CA 0.428 58.655 58.200 0.046 0.000 0.898 245 S CB -0.048 63.207 63.200 0.092 0.000 0.875 245 S HN 0.849 nan 8.310 nan 0.000 0.581 246 D N -0.110 120.349 120.400 0.097 0.000 2.389 246 D HA 0.264 4.904 4.640 0.000 0.000 0.206 246 D C 1.474 177.784 176.300 0.016 0.000 1.055 246 D CA 0.919 54.958 54.000 0.064 0.000 0.856 246 D CB 0.113 40.978 40.800 0.109 0.000 0.957 246 D HN 0.801 nan 8.370 nan 0.000 0.509 247 G N 1.216 110.024 108.800 0.014 0.000 2.234 247 G HA2 -0.292 3.668 3.960 0.000 0.000 0.235 247 G HA3 -0.292 3.668 3.960 0.000 0.000 0.235 247 G C 0.862 175.724 174.900 -0.063 0.000 0.997 247 G CA 0.302 45.390 45.100 -0.020 0.000 0.623 247 G HN 0.390 nan 8.290 nan 0.000 0.514 248 K N 1.012 121.329 120.400 -0.139 0.000 2.576 248 K HA 0.403 4.723 4.320 0.000 0.000 0.209 248 K C 0.294 176.498 176.600 -0.661 0.000 1.049 248 K CA -0.384 55.707 56.287 -0.326 0.000 1.140 248 K CB -0.230 32.060 32.500 -0.351 0.000 0.871 248 K HN 0.488 nan 8.250 nan 0.000 0.479 249 H N -0.258 118.823 119.070 0.019 0.000 3.229 249 H HA 0.177 4.733 4.556 0.000 0.000 0.211 249 H C -1.145 174.217 175.328 0.057 0.000 1.364 249 H CA -0.638 55.421 56.048 0.018 0.000 1.270 249 H CB 0.299 30.088 29.762 0.046 0.000 2.309 249 H HN 0.135 nan 8.280 nan 0.000 0.520 250 D N 0.567 121.024 120.400 0.095 0.000 2.210 250 D HA 0.200 4.840 4.640 0.000 0.000 0.249 250 D C 0.248 176.604 176.300 0.093 0.000 1.062 250 D CA -0.094 53.994 54.000 0.147 0.000 0.891 250 D CB 1.194 42.046 40.800 0.087 0.000 1.186 250 D HN 0.001 nan 8.370 nan 0.000 0.432 251 F N 1.780 121.762 119.950 0.054 0.000 2.394 251 F HA 0.406 4.933 4.527 0.000 0.000 0.340 251 F C 0.897 176.694 175.800 -0.006 0.000 1.105 251 F CA -0.277 57.724 58.000 0.003 0.000 1.124 251 F CB 0.882 39.876 39.000 -0.011 0.000 1.145 251 F HN -0.159 nan 8.300 nan 0.000 0.505 252 R N 3.522 124.090 120.500 0.113 0.000 2.522 252 R HA 0.388 4.728 4.340 0.000 0.000 0.283 252 R C -1.843 174.572 176.300 0.191 0.000 1.074 252 R CA -0.995 55.186 56.100 0.135 0.000 0.925 252 R CB 1.854 32.246 30.300 0.153 0.000 1.205 252 R HN 0.468 nan 8.270 nan 0.000 0.436 253 L N 2.588 123.880 121.223 0.116 0.000 2.260 253 L HA 0.304 4.644 4.340 0.000 0.000 0.289 253 L C 0.887 177.923 176.870 0.277 0.000 1.057 253 L CA -0.044 54.880 54.840 0.141 0.000 0.811 253 L CB 0.450 42.519 42.059 0.016 0.000 1.184 253 L HN 0.571 nan 8.230 nan 0.000 0.429 254 W N 0.880 122.220 121.300 0.066 0.000 2.519 254 W HA -0.037 4.623 4.660 0.000 0.000 0.266 254 W C 0.823 177.437 176.519 0.159 0.000 1.253 254 W CA -0.219 57.251 57.345 0.210 0.000 1.274 254 W CB -0.916 28.780 29.460 0.393 0.000 1.114 254 W HN 0.507 nan 8.180 nan 0.000 0.596 255 N N -0.447 118.363 118.700 0.184 0.000 2.415 255 N HA 0.023 4.763 4.740 0.000 0.000 0.248 255 N C 1.078 176.435 175.510 -0.254 0.000 1.271 255 N CA 0.510 53.376 53.050 -0.307 0.000 0.913 255 N CB 0.500 38.885 38.487 -0.169 0.000 1.129 255 N HN -0.283 nan 8.380 nan 0.000 0.444 256 S N -0.560 114.932 115.700 -0.347 0.000 2.395 256 S HA -0.042 4.428 4.470 0.000 0.000 0.225 256 S C 0.449 174.932 174.600 -0.194 0.000 1.027 256 S CA 0.824 58.894 58.200 -0.216 0.000 0.965 256 S CB -0.139 62.953 63.200 -0.179 0.000 0.812 256 S HN 0.696 nan 8.310 nan 0.000 0.482 257 Q N -0.248 119.432 119.800 -0.200 0.000 2.456 257 Q HA 0.432 4.772 4.340 0.000 0.000 0.283 257 Q C 0.102 175.983 176.000 -0.198 0.000 1.084 257 Q CA -0.848 54.845 55.803 -0.182 0.000 0.801 257 Q CB 0.879 29.551 28.738 -0.109 0.000 1.434 257 Q HN -0.027 nan 8.270 nan 0.000 0.419 258 L N 0.533 121.635 121.223 -0.201 0.000 1.956 258 L HA -0.047 4.293 4.340 0.000 0.000 0.216 258 L C 0.843 177.571 176.870 -0.237 0.000 1.073 258 L CA 1.905 56.628 54.840 -0.196 0.000 0.762 258 L CB -0.527 41.402 42.059 -0.217 0.000 0.889 258 L HN 0.682 nan 8.230 nan 0.000 0.433 259 I N -1.370 118.996 120.570 -0.340 0.000 2.412 259 I HA 0.484 4.654 4.170 0.000 0.000 0.296 259 I C -0.159 175.383 176.117 -0.959 0.000 0.987 259 I CA -0.203 60.730 61.300 -0.613 0.000 1.180 259 I CB 1.581 39.158 38.000 -0.705 0.000 1.340 259 I HN 0.064 nan 8.210 nan 0.000 0.455 260 R N 4.701 124.683 120.500 -0.863 0.000 2.647 260 R HA 0.362 4.702 4.340 0.000 0.000 0.260 260 R C -1.939 174.129 176.300 -0.388 0.000 1.154 260 R CA -0.721 54.989 56.100 -0.651 0.000 1.029 260 R CB 0.426 30.576 30.300 -0.249 0.000 1.262 260 R HN 0.326 nan 8.270 nan 0.000 0.437 261 Y N 1.909 122.151 120.300 -0.096 0.000 2.457 261 Y HA 0.505 5.055 4.550 0.000 0.000 0.341 261 Y C 1.188 177.100 175.900 0.019 0.000 1.240 261 Y CA 0.398 58.516 58.100 0.029 0.000 1.437 261 Y CB 0.624 39.209 38.460 0.209 0.000 1.328 261 Y HN 0.714 nan 8.280 nan 0.000 0.588 262 A N 1.037 123.933 122.820 0.128 0.000 2.264 262 A HA 0.773 5.093 4.320 0.000 0.000 0.304 262 A C 0.308 177.728 177.584 -0.274 0.000 1.100 262 A CA 0.005 51.957 52.037 -0.141 0.000 0.839 262 A CB 0.241 19.051 19.000 -0.317 0.000 1.121 262 A HN 0.897 nan 8.150 nan 0.000 0.496 263 G N -0.504 108.058 108.800 -0.396 0.000 2.609 263 G HA2 0.589 4.549 3.960 0.000 0.000 0.308 263 G HA3 0.589 4.549 3.960 0.000 0.000 0.308 263 G C -1.364 173.315 174.900 -0.369 0.000 1.369 263 G CA -0.261 44.652 45.100 -0.313 0.000 0.958 263 G HN 0.511 nan 8.290 nan 0.000 0.499 264 Y N 0.051 120.388 120.300 0.062 0.000 2.468 264 Y HA 0.506 5.056 4.550 0.000 0.000 0.342 264 Y C 0.366 176.319 175.900 0.088 0.000 1.021 264 Y CA -1.097 57.062 58.100 0.099 0.000 1.079 264 Y CB 2.522 41.086 38.460 0.173 0.000 1.226 264 Y HN 0.502 nan 8.280 nan 0.000 0.460 265 Q N 3.247 123.197 119.800 0.250 0.000 2.441 265 Q HA 0.294 4.634 4.340 0.000 0.000 0.234 265 Q C -0.763 175.324 176.000 0.146 0.000 1.078 265 Q CA -0.501 55.391 55.803 0.150 0.000 0.907 265 Q CB 0.345 29.145 28.738 0.103 0.000 1.269 265 Q HN 0.531 nan 8.270 nan 0.000 0.502 266 M N 4.794 124.464 119.600 0.117 0.000 2.245 266 M HA 0.049 4.529 4.480 0.000 0.000 0.312 266 M C -1.424 174.883 176.300 0.011 0.000 1.070 266 M CA -1.780 53.551 55.300 0.052 0.000 1.162 266 M CB -0.220 32.397 32.600 0.028 0.000 1.448 266 M HN 0.529 nan 8.290 nan 0.000 0.446 267 P HA -0.110 nan 4.420 nan 0.000 0.229 267 P C 0.348 177.631 177.300 -0.028 0.000 1.160 267 P CA 1.147 64.223 63.100 -0.040 0.000 0.777 267 P CB -0.101 31.551 31.700 -0.079 0.000 0.814 268 D N -1.090 119.295 120.400 -0.025 0.000 2.340 268 D HA 0.069 4.709 4.640 0.000 0.000 0.220 268 D C 1.475 177.771 176.300 -0.005 0.000 1.039 268 D CA 0.568 54.557 54.000 -0.018 0.000 0.866 268 D CB -0.564 40.224 40.800 -0.021 0.000 0.913 268 D HN 0.251 nan 8.370 nan 0.000 0.523 269 G N 0.293 109.095 108.800 0.003 0.000 2.234 269 G HA2 -0.292 3.668 3.960 0.000 0.000 0.235 269 G HA3 -0.292 3.668 3.960 0.000 0.000 0.235 269 G C 0.639 175.550 174.900 0.018 0.000 0.997 269 G CA 0.487 45.593 45.100 0.011 0.000 0.623 269 G HN 0.778 nan 8.290 nan 0.000 0.514 270 T N -0.620 113.944 114.554 0.017 0.000 2.754 270 T HA 0.662 5.012 4.350 0.000 0.000 0.286 270 T C 0.404 175.126 174.700 0.036 0.000 0.997 270 T CA -0.114 61.999 62.100 0.021 0.000 0.982 270 T CB 1.603 70.480 68.868 0.015 0.000 1.027 270 T HN 0.640 nan 8.240 nan 0.000 0.529 271 I N 0.924 121.513 120.570 0.031 0.000 2.418 271 I HA 0.416 4.586 4.170 0.000 0.000 0.287 271 I C 0.316 176.448 176.117 0.024 0.000 1.008 271 I CA -0.893 60.430 61.300 0.039 0.000 1.104 271 I CB 1.876 39.884 38.000 0.014 0.000 1.264 271 I HN 0.554 nan 8.210 nan 0.000 0.438 272 R N 3.726 124.274 120.500 0.079 0.000 2.460 272 R HA 0.723 5.063 4.340 0.000 0.000 0.303 272 R C 0.380 176.692 176.300 0.020 0.000 0.968 272 R CA -0.072 56.069 56.100 0.067 0.000 0.889 272 R CB 1.890 32.285 30.300 0.160 0.000 1.123 272 R HN 0.917 nan 8.270 nan 0.000 0.455 273 G N 2.063 110.788 108.800 -0.126 0.000 2.542 273 G HA2 -0.266 3.694 3.960 0.000 0.000 0.235 273 G HA3 -0.266 3.694 3.960 0.000 0.000 0.235 273 G C -0.843 173.735 174.900 -0.537 0.000 1.286 273 G CA -0.396 44.581 45.100 -0.204 0.000 0.904 273 G HN 0.623 nan 8.290 nan 0.000 0.577 274 D N 1.908 122.166 120.400 -0.237 0.000 2.367 274 D HA 0.452 5.092 4.640 0.000 0.000 0.255 274 D C 1.720 177.958 176.300 -0.103 0.000 1.300 274 D CA 0.955 54.862 54.000 -0.155 0.000 0.959 274 D CB 0.527 41.513 40.800 0.310 0.000 1.064 274 D HN 0.909 nan 8.370 nan 0.000 0.509 275 A N 3.840 126.565 122.820 -0.159 0.000 1.986 275 A HA -0.205 4.115 4.320 0.000 0.000 0.220 275 A C 2.073 179.672 177.584 0.025 0.000 1.171 275 A CA 1.903 53.909 52.037 -0.052 0.000 0.640 275 A CB -0.207 18.770 19.000 -0.038 0.000 0.811 275 A HN 0.601 nan 8.150 nan 0.000 0.451 276 A N -0.673 122.190 122.820 0.071 0.000 2.119 276 A HA 0.085 4.405 4.320 0.000 0.000 0.217 276 A C 1.924 179.571 177.584 0.105 0.000 1.153 276 A CA 1.784 53.890 52.037 0.114 0.000 0.692 276 A CB -0.801 18.292 19.000 0.156 0.000 0.799 276 A HN 0.805 nan 8.150 nan 0.000 0.458 277 T N -2.863 111.739 114.554 0.079 0.000 3.223 277 T HA 0.407 4.757 4.350 0.000 0.000 0.259 277 T C 1.287 176.005 174.700 0.030 0.000 1.015 277 T CA -0.109 62.035 62.100 0.074 0.000 0.908 277 T CB -0.379 68.535 68.868 0.076 0.000 1.054 277 T HN 0.227 nan 8.240 nan 0.000 0.567 278 L N 0.706 121.939 121.223 0.017 0.000 1.989 278 L HA -0.124 4.216 4.340 0.000 0.000 0.211 278 L C 2.875 179.740 176.870 -0.009 0.000 1.071 278 L CA 1.914 56.752 54.840 -0.004 0.000 0.749 278 L CB -0.471 41.599 42.059 0.018 0.000 0.890 278 L HN 0.381 nan 8.230 nan 0.000 0.431 279 E N -0.482 119.718 120.200 0.000 0.000 2.012 279 E HA -0.277 4.073 4.350 0.000 0.000 0.197 279 E C 2.052 178.582 176.600 -0.117 0.000 1.007 279 E CA 1.604 57.972 56.400 -0.055 0.000 0.816 279 E CB -0.345 29.318 29.700 -0.061 0.000 0.762 279 E HN 0.305 nan 8.360 nan 0.000 0.451 280 F N 1.908 121.710 119.950 -0.247 0.000 2.192 280 F HA -0.255 4.272 4.527 0.000 0.000 0.301 280 F C 2.326 178.008 175.800 -0.197 0.000 1.079 280 F CA 1.677 59.502 58.000 -0.292 0.000 1.303 280 F CB -0.364 38.505 39.000 -0.219 0.000 1.024 280 F HN -0.070 nan 8.300 nan 0.000 0.494 281 T N -0.533 113.941 114.554 -0.133 0.000 2.746 281 T HA -0.249 4.101 4.350 0.000 0.000 0.267 281 T C 1.756 176.372 174.700 -0.140 0.000 1.039 281 T CA 1.556 63.540 62.100 -0.193 0.000 1.142 281 T CB -0.294 68.468 68.868 -0.177 0.000 0.866 281 T HN 0.247 nan 8.240 nan 0.000 0.444 282 Q N 0.780 120.518 119.800 -0.103 0.000 2.084 282 Q HA -0.049 4.291 4.340 0.000 0.000 0.202 282 Q C 2.100 178.025 176.000 -0.124 0.000 0.978 282 Q CA 1.215 56.984 55.803 -0.056 0.000 0.844 282 Q CB -0.801 27.910 28.738 -0.044 0.000 0.898 282 Q HN 0.406 nan 8.270 nan 0.000 0.426 283 L N -0.365 120.703 121.223 -0.258 0.000 2.079 283 L HA -0.191 4.149 4.340 0.000 0.000 0.210 283 L C 2.087 178.795 176.870 -0.269 0.000 1.081 283 L CA 1.838 56.509 54.840 -0.282 0.000 0.752 283 L CB -0.884 40.910 42.059 -0.442 0.000 0.896 283 L HN 0.400 nan 8.230 nan 0.000 0.433 284 C N -0.767 118.301 119.300 -0.387 0.000 2.457 284 C HA -0.067 4.393 4.460 0.000 0.000 0.278 284 C C 2.683 177.708 174.990 0.058 0.000 1.309 284 C CA 0.183 59.052 59.018 -0.249 0.000 1.735 284 C CB -0.811 26.652 27.740 -0.460 0.000 1.992 284 C HN 0.535 nan 8.230 nan 0.000 0.493 285 I N 1.712 122.349 120.570 0.111 0.000 2.179 285 I HA -0.158 4.012 4.170 0.000 0.000 0.242 285 I C 2.033 178.177 176.117 0.046 0.000 1.088 285 I CA 1.841 63.230 61.300 0.149 0.000 1.357 285 I CB -1.521 36.552 38.000 0.123 0.000 1.051 285 I HN 0.346 nan 8.210 nan 0.000 0.409 286 D N 0.992 121.388 120.400 -0.007 0.000 2.218 286 D HA -0.112 4.528 4.640 0.000 0.000 0.204 286 D C 1.956 178.228 176.300 -0.046 0.000 0.976 286 D CA 0.922 54.899 54.000 -0.038 0.000 0.853 286 D CB -0.128 40.633 40.800 -0.064 0.000 0.939 286 D HN 0.353 nan 8.370 nan 0.000 0.481 287 L N -0.607 120.596 121.223 -0.033 0.000 2.653 287 L HA 0.263 4.603 4.340 0.000 0.000 0.232 287 L C 1.456 178.315 176.870 -0.018 0.000 1.169 287 L CA 0.160 54.979 54.840 -0.034 0.000 0.951 287 L CB -0.046 41.986 42.059 -0.044 0.000 1.181 287 L HN 0.099 nan 8.230 nan 0.000 0.460 288 G N -1.003 107.798 108.800 0.001 0.000 2.194 288 G HA2 -0.315 3.645 3.960 0.000 0.000 0.236 288 G HA3 -0.315 3.645 3.960 0.000 0.000 0.236 288 G C -0.023 174.898 174.900 0.035 0.000 0.987 288 G CA -0.278 44.819 45.100 -0.005 0.000 0.635 288 G HN 0.368 nan 8.290 nan 0.000 0.520 289 W N 4.205 125.446 121.300 -0.098 0.000 2.223 289 W HA 0.544 5.204 4.660 0.000 0.000 0.334 289 W C 0.746 177.227 176.519 -0.064 0.000 1.334 289 W CA -0.022 57.273 57.345 -0.083 0.000 1.246 289 W CB 0.741 30.150 29.460 -0.085 0.000 1.184 289 W HN 0.198 nan 8.180 nan 0.000 0.563 290 K N 8.811 128.739 120.400 -0.787 0.000 2.267 290 K HA 0.354 4.674 4.320 0.000 0.000 0.282 290 K C -2.674 173.158 176.600 -1.279 0.000 1.078 290 K CA -2.165 53.674 56.287 -0.746 0.000 0.903 290 K CB 0.450 32.669 32.500 -0.468 0.000 1.111 290 K HN 0.294 nan 8.250 nan 0.000 0.475 291 P HA 0.181 nan 4.420 nan 0.000 0.271 291 P C -0.419 176.361 177.300 -0.866 0.000 1.216 291 P CA -0.222 62.259 63.100 -1.032 0.000 0.776 291 P CB 0.761 31.861 31.700 -1.000 0.000 0.881 292 R N 1.213 121.322 120.500 -0.653 0.000 2.437 292 R HA 0.143 4.483 4.340 0.000 0.000 0.257 292 R C -0.101 176.041 176.300 -0.264 0.000 0.927 292 R CA -0.352 55.565 56.100 -0.306 0.000 1.078 292 R CB -0.427 29.817 30.300 -0.095 0.000 1.161 292 R HN 0.413 nan 8.270 nan 0.000 0.529 293 Y N -0.375 119.510 120.300 -0.691 0.000 2.967 293 Y HA -0.291 4.259 4.550 0.000 0.000 0.208 293 Y C 0.784 176.547 175.900 -0.229 0.000 1.214 293 Y CA 0.622 58.219 58.100 -0.838 0.000 0.915 293 Y CB -1.708 36.429 38.460 -0.537 0.000 1.218 293 Y HN 0.231 nan 8.280 nan 0.000 0.472 294 G N -0.242 108.642 108.800 0.139 0.000 2.932 294 G HA2 0.597 4.557 3.960 0.000 0.000 0.283 294 G HA3 0.597 4.557 3.960 0.000 0.000 0.283 294 G C 0.518 175.513 174.900 0.158 0.000 1.336 294 G CA -1.012 44.181 45.100 0.154 0.000 1.056 294 G HN 0.270 nan 8.290 nan 0.000 0.522 295 R N -1.399 119.066 120.500 -0.057 0.000 2.173 295 R HA 0.137 4.477 4.340 0.000 0.000 0.208 295 R C -0.060 175.822 176.300 -0.697 0.000 1.035 295 R CA 0.782 56.654 56.100 -0.380 0.000 1.004 295 R CB 0.067 29.983 30.300 -0.640 0.000 0.917 295 R HN 0.366 nan 8.270 nan 0.000 0.462 296 F N 0.890 120.803 119.950 -0.062 0.000 2.623 296 F HA 0.252 4.779 4.527 0.000 0.000 0.361 296 F C -0.819 174.942 175.800 -0.065 0.000 1.469 296 F CA -1.294 56.404 58.000 -0.503 0.000 1.126 296 F CB 0.548 38.985 39.000 -0.938 0.000 1.221 296 F HN -0.307 nan 8.300 nan 0.000 0.536 297 D N 1.598 122.184 120.400 0.310 0.000 2.325 297 D HA 0.154 4.794 4.640 0.000 0.000 0.251 297 D C 0.261 176.817 176.300 0.427 0.000 1.196 297 D CA 0.125 54.366 54.000 0.402 0.000 0.866 297 D CB 2.203 43.309 40.800 0.509 0.000 1.101 297 D HN -0.055 nan 8.370 nan 0.000 0.476 298 V N 4.233 124.371 119.914 0.373 0.000 2.450 298 V HA -0.041 4.079 4.120 0.000 0.000 0.281 298 V C 1.143 177.263 176.094 0.042 0.000 1.019 298 V CA -0.181 62.215 62.300 0.159 0.000 1.062 298 V CB -0.066 31.800 31.823 0.073 0.000 0.979 298 V HN 0.359 nan 8.190 nan 0.000 0.477 299 L N 8.630 129.780 121.223 -0.122 0.000 2.479 299 L HA 0.220 4.560 4.340 0.000 0.000 0.270 299 L C -1.657 175.030 176.870 -0.306 0.000 1.236 299 L CA -0.926 53.701 54.840 -0.355 0.000 0.823 299 L CB 0.341 42.278 42.059 -0.204 0.000 1.098 299 L HN 0.484 nan 8.230 nan 0.000 0.500 300 P HA 0.184 nan 4.420 nan 0.000 0.285 300 P C -1.117 176.164 177.300 -0.031 0.000 1.269 300 P CA -0.759 62.194 63.100 -0.244 0.000 0.844 300 P CB 1.305 32.734 31.700 -0.451 0.000 1.094 301 L N 1.971 123.262 121.223 0.114 0.000 2.360 301 L HA 0.134 4.474 4.340 0.000 0.000 0.276 301 L C 0.238 177.227 176.870 0.198 0.000 1.121 301 L CA -0.005 54.943 54.840 0.181 0.000 0.845 301 L CB 0.370 42.584 42.059 0.258 0.000 1.143 301 L HN 0.113 nan 8.230 nan 0.000 0.452 302 V N 6.163 126.193 119.914 0.193 0.000 2.257 302 V HA 0.312 4.433 4.120 0.000 0.000 0.269 302 V C -0.191 175.912 176.094 0.014 0.000 1.040 302 V CA -0.691 61.660 62.300 0.087 0.000 0.813 302 V CB 1.051 32.974 31.823 0.167 0.000 1.065 302 V HN 0.368 nan 8.190 nan 0.000 0.457 303 L N 4.660 125.895 121.223 0.020 0.000 2.322 303 L HA 0.637 4.977 4.340 0.000 0.000 0.279 303 L C 0.079 176.843 176.870 -0.176 0.000 1.036 303 L CA -0.259 54.560 54.840 -0.035 0.000 0.807 303 L CB 1.666 43.740 42.059 0.025 0.000 1.226 303 L HN 0.817 nan 8.230 nan 0.000 0.433 304 Q N 1.924 121.611 119.800 -0.188 0.000 2.310 304 Q HA 0.878 5.218 4.340 0.000 0.000 0.270 304 Q C -1.383 174.473 176.000 -0.241 0.000 1.025 304 Q CA -0.723 54.937 55.803 -0.238 0.000 0.772 304 Q CB 1.988 30.583 28.738 -0.239 0.000 1.253 304 Q HN 0.670 nan 8.270 nan 0.000 0.450 305 A N 2.672 125.302 122.820 -0.318 0.000 2.320 305 A HA 0.651 4.971 4.320 0.000 0.000 0.334 305 A C 0.130 177.219 177.584 -0.825 0.000 1.147 305 A CA 0.356 51.978 52.037 -0.693 0.000 0.820 305 A CB 0.951 19.753 19.000 -0.330 0.000 1.218 305 A HN 1.082 nan 8.150 nan 0.000 0.482 306 D N 0.279 119.707 120.400 -1.620 0.000 4.590 306 D HA -0.261 4.379 4.640 0.000 0.000 0.236 306 D C 1.109 177.258 176.300 -0.252 0.000 0.534 306 D CA 4.206 57.813 54.000 -0.655 0.000 1.368 306 D CB -1.362 39.302 40.800 -0.226 0.000 0.860 306 D HN 1.277 nan 8.370 nan 0.000 0.382 307 G N -1.479 107.257 108.800 -0.107 0.000 2.818 307 G HA2 0.234 4.194 3.960 0.000 0.000 0.170 307 G HA3 0.234 4.194 3.960 0.000 0.000 0.170 307 G C -0.076 174.825 174.900 0.002 0.000 1.345 307 G CA 0.385 45.469 45.100 -0.027 0.000 0.861 307 G HN 0.411 nan 8.290 nan 0.000 0.936 308 Q N 1.576 121.357 119.800 -0.032 0.000 2.614 308 Q HA 0.230 4.570 4.340 0.000 0.000 0.244 308 Q C 0.137 176.112 176.000 -0.042 0.000 1.097 308 Q CA 0.302 56.098 55.803 -0.012 0.000 0.986 308 Q CB 0.499 29.221 28.738 -0.027 0.000 1.308 308 Q HN 0.222 nan 8.270 nan 0.000 0.546 309 D N 1.370 121.756 120.400 -0.023 0.000 2.364 309 D HA 0.039 4.679 4.640 0.000 0.000 0.236 309 D C -2.087 174.008 176.300 -0.342 0.000 1.221 309 D CA -0.517 53.382 54.000 -0.167 0.000 0.891 309 D CB -0.112 40.732 40.800 0.072 0.000 1.190 309 D HN 0.325 nan 8.370 nan 0.000 0.449 310 P HA 0.200 nan 4.420 nan 0.000 0.285 310 P C -0.821 176.279 177.300 -0.333 0.000 1.259 310 P CA -0.226 62.477 63.100 -0.661 0.000 0.794 310 P CB 1.178 32.019 31.700 -1.433 0.000 0.940 311 E N 0.931 121.016 120.200 -0.191 0.000 2.202 311 E HA 0.410 4.760 4.350 0.000 0.000 0.272 311 E C -0.551 175.929 176.600 -0.200 0.000 0.951 311 E CA -1.167 55.124 56.400 -0.182 0.000 0.813 311 E CB 1.822 31.449 29.700 -0.121 0.000 1.151 311 E HN 0.184 nan 8.360 nan 0.000 0.398 312 V N 3.004 122.688 119.914 -0.382 0.000 2.539 312 V HA 0.430 4.550 4.120 0.000 0.000 0.292 312 V C -0.691 175.051 176.094 -0.587 0.000 1.045 312 V CA -0.429 61.706 62.300 -0.275 0.000 0.945 312 V CB 0.366 32.095 31.823 -0.155 0.000 0.993 312 V HN 0.515 nan 8.190 nan 0.000 0.464 313 F N 1.234 121.107 119.950 -0.128 0.000 2.573 313 F HA 0.437 4.964 4.527 0.000 0.000 0.316 313 F C 0.278 176.050 175.800 -0.047 0.000 1.148 313 F CA -0.666 57.179 58.000 -0.258 0.000 0.940 313 F CB 1.607 40.252 39.000 -0.593 0.000 1.214 313 F HN 0.423 nan 8.300 nan 0.000 0.448 314 E N 3.230 123.528 120.200 0.163 0.000 2.343 314 E HA 0.403 4.753 4.350 0.000 0.000 0.269 314 E C -0.528 176.282 176.600 0.349 0.000 1.047 314 E CA -0.518 56.035 56.400 0.255 0.000 0.874 314 E CB 1.612 31.471 29.700 0.266 0.000 1.033 314 E HN 0.455 nan 8.360 nan 0.000 0.409 315 I N 3.877 124.623 120.570 0.294 0.000 2.371 315 I HA 0.132 4.302 4.170 0.000 0.000 0.290 315 I C -2.084 174.162 176.117 0.215 0.000 1.028 315 I CA -2.156 59.308 61.300 0.273 0.000 1.345 315 I CB 0.608 38.686 38.000 0.130 0.000 1.407 315 I HN 0.164 nan 8.210 nan 0.000 0.501 316 P HA 0.065 nan 4.420 nan 0.000 0.260 316 P C -2.016 175.344 177.300 0.101 0.000 1.207 316 P CA -0.826 62.365 63.100 0.152 0.000 0.780 316 P CB 0.127 31.904 31.700 0.128 0.000 0.789 317 P HA -0.246 nan 4.420 nan 0.000 0.218 317 P C 0.818 178.157 177.300 0.064 0.000 1.152 317 P CA 1.460 64.612 63.100 0.088 0.000 0.857 317 P CB -0.071 31.684 31.700 0.091 0.000 0.787 318 D N -1.404 119.030 120.400 0.057 0.000 2.351 318 D HA -0.068 4.572 4.640 0.000 0.000 0.216 318 D C 1.607 177.926 176.300 0.032 0.000 0.968 318 D CA 0.850 54.874 54.000 0.041 0.000 0.899 318 D CB -0.078 40.744 40.800 0.037 0.000 0.907 318 D HN 0.302 nan 8.370 nan 0.000 0.514 319 L N 0.090 121.333 121.223 0.033 0.000 2.590 319 L HA 0.080 4.420 4.340 0.000 0.000 0.227 319 L C 0.472 177.355 176.870 0.022 0.000 1.099 319 L CA 0.107 54.958 54.840 0.019 0.000 0.872 319 L CB 0.905 42.963 42.059 -0.001 0.000 1.088 319 L HN -0.243 nan 8.230 nan 0.000 0.479 320 V N 2.256 122.189 119.914 0.033 0.000 2.284 320 V HA 0.144 4.264 4.120 0.000 0.000 0.260 320 V C 0.084 176.209 176.094 0.051 0.000 1.084 320 V CA -0.502 61.819 62.300 0.035 0.000 0.894 320 V CB 1.022 32.865 31.823 0.032 0.000 1.119 320 V HN 0.062 nan 8.190 nan 0.000 0.484 321 L N 5.279 126.533 121.223 0.052 0.000 2.426 321 L HA 0.461 4.801 4.340 0.000 0.000 0.271 321 L C 0.142 177.040 176.870 0.047 0.000 1.169 321 L CA 0.847 55.709 54.840 0.036 0.000 0.836 321 L CB 0.538 42.612 42.059 0.026 0.000 1.112 321 L HN 0.660 nan 8.230 nan 0.000 0.465 322 E N 2.951 123.154 120.200 0.004 0.000 2.393 322 E HA 0.580 4.930 4.350 0.000 0.000 0.273 322 E C -1.568 174.956 176.600 -0.126 0.000 0.918 322 E CA -1.042 55.351 56.400 -0.012 0.000 0.773 322 E CB 2.407 32.131 29.700 0.040 0.000 1.275 322 E HN 0.382 nan 8.360 nan 0.000 0.451 323 V N 1.631 121.426 119.914 -0.198 0.000 2.448 323 V HA 0.286 4.406 4.120 0.000 0.000 0.295 323 V C -0.286 175.733 176.094 -0.125 0.000 1.025 323 V CA -0.754 61.369 62.300 -0.295 0.000 0.859 323 V CB 1.687 33.064 31.823 -0.743 0.000 0.988 323 V HN 0.792 nan 8.190 nan 0.000 0.431 324 T N 3.568 118.073 114.554 -0.082 0.000 2.817 324 T HA 0.532 4.882 4.350 0.000 0.000 0.293 324 T C -0.176 174.557 174.700 0.055 0.000 0.964 324 T CA -0.610 61.480 62.100 -0.016 0.000 1.085 324 T CB 0.837 69.701 68.868 -0.005 0.000 0.921 324 T HN 0.340 nan 8.240 nan 0.000 0.502 325 M N 3.936 123.615 119.600 0.133 0.000 2.184 325 M HA 0.272 4.752 4.480 0.000 0.000 0.351 325 M C 0.160 176.684 176.300 0.373 0.000 1.395 325 M CA -0.427 55.046 55.300 0.289 0.000 1.117 325 M CB -0.306 32.552 32.600 0.430 0.000 1.708 325 M HN 0.842 nan 8.290 nan 0.000 0.468 326 E N 2.336 122.736 120.200 0.334 0.000 2.343 326 E HA 0.328 4.678 4.350 0.000 0.000 0.278 326 E C -1.343 175.331 176.600 0.123 0.000 0.910 326 E CA -0.959 55.644 56.400 0.339 0.000 0.757 326 E CB 1.191 31.025 29.700 0.222 0.000 1.218 326 E HN 0.582 nan 8.360 nan 0.000 0.435 327 H N 3.539 122.528 119.070 -0.134 0.000 2.525 327 H HA 0.198 4.754 4.556 0.000 0.000 0.339 327 H C -1.648 173.477 175.328 -0.338 0.000 1.109 327 H CA -2.081 53.731 56.048 -0.394 0.000 1.352 327 H CB 1.804 31.263 29.762 -0.505 0.000 1.461 327 H HN 0.469 nan 8.280 nan 0.000 0.533 328 P HA -0.022 nan 4.420 nan 0.000 0.242 328 P C 0.546 177.766 177.300 -0.133 0.000 1.197 328 P CA 0.769 63.482 63.100 -0.644 0.000 0.765 328 P CB 0.768 31.870 31.700 -0.997 0.000 0.936 329 K N -1.512 119.002 120.400 0.190 0.000 2.665 329 K HA 0.169 4.489 4.320 0.000 0.000 0.197 329 K C -0.068 176.334 176.600 -0.331 0.000 1.463 329 K CA 0.310 56.521 56.287 -0.127 0.000 1.107 329 K CB 0.058 32.404 32.500 -0.257 0.000 1.584 329 K HN -0.125 nan 8.250 nan 0.000 0.558 330 Y N 2.676 122.674 120.300 -0.503 0.000 2.504 330 Y HA 0.213 4.763 4.550 0.000 0.000 0.351 330 Y C 0.878 176.461 175.900 -0.528 0.000 0.988 330 Y CA -0.148 57.530 58.100 -0.703 0.000 1.239 330 Y CB 0.961 38.554 38.460 -1.446 0.000 1.128 330 Y HN 0.109 nan 8.280 nan 0.000 0.525 331 E N 3.451 123.568 120.200 -0.138 0.000 2.268 331 E HA -0.171 4.179 4.350 0.000 0.000 0.195 331 E C 1.243 177.876 176.600 0.056 0.000 0.995 331 E CA 1.020 57.417 56.400 -0.005 0.000 0.836 331 E CB -0.042 29.692 29.700 0.056 0.000 0.763 331 E HN 0.895 nan 8.360 nan 0.000 0.491 332 W N -0.217 121.187 121.300 0.174 0.000 3.077 332 W HA 0.008 4.668 4.660 0.000 0.000 0.245 332 W C 1.148 177.737 176.519 0.117 0.000 1.316 332 W CA -0.321 57.096 57.345 0.119 0.000 1.537 332 W CB -0.688 28.826 29.460 0.090 0.000 1.131 332 W HN -0.045 nan 8.180 nan 0.000 0.695 333 F N 3.486 123.221 119.950 -0.360 0.000 2.084 333 F HA -0.228 4.299 4.527 0.000 0.000 0.296 333 F C 2.859 178.666 175.800 0.012 0.000 1.111 333 F CA 2.984 60.816 58.000 -0.279 0.000 1.224 333 F CB -0.509 38.284 39.000 -0.345 0.000 0.991 333 F HN -0.047 nan 8.300 nan 0.000 0.471 334 Q N -0.279 119.599 119.800 0.130 0.000 2.364 334 Q HA -0.197 4.143 4.340 0.000 0.000 0.209 334 Q C 1.543 177.562 176.000 0.031 0.000 0.977 334 Q CA 1.536 57.386 55.803 0.079 0.000 0.885 334 Q CB -0.828 27.983 28.738 0.121 0.000 0.941 334 Q HN 0.548 nan 8.270 nan 0.000 0.464 335 E N 0.587 120.829 120.200 0.069 0.000 2.333 335 E HA -0.128 4.222 4.350 0.000 0.000 0.198 335 E C 1.194 177.810 176.600 0.026 0.000 1.007 335 E CA 0.484 56.933 56.400 0.081 0.000 0.845 335 E CB 0.068 29.862 29.700 0.158 0.000 0.766 335 E HN 0.290 nan 8.360 nan 0.000 0.507 336 L N -0.369 120.818 121.223 -0.060 0.000 2.478 336 L HA 0.066 4.406 4.340 0.000 0.000 0.223 336 L C 1.399 178.232 176.870 -0.061 0.000 1.140 336 L CA 0.979 55.749 54.840 -0.117 0.000 0.842 336 L CB -0.834 41.021 42.059 -0.340 0.000 0.953 336 L HN 0.122 nan 8.230 nan 0.000 0.452 337 G N 0.334 109.119 108.800 -0.025 0.000 2.366 337 G HA2 -0.269 3.691 3.960 0.000 0.000 0.299 337 G HA3 -0.269 3.691 3.960 0.000 0.000 0.299 337 G C -0.048 174.906 174.900 0.089 0.000 1.020 337 G CA 0.065 45.191 45.100 0.043 0.000 1.026 337 G HN 0.147 nan 8.290 nan 0.000 0.512 338 L N -0.242 120.973 121.223 -0.014 0.000 2.344 338 L HA 0.932 5.272 4.340 0.000 0.000 0.272 338 L C 0.413 177.216 176.870 -0.112 0.000 1.035 338 L CA -0.531 54.275 54.840 -0.055 0.000 0.807 338 L CB 1.740 43.645 42.059 -0.256 0.000 1.237 338 L HN 0.686 nan 8.230 nan 0.000 0.442 339 K N 0.855 121.060 120.400 -0.326 0.000 2.615 339 K HA 0.504 4.824 4.320 0.000 0.000 0.291 339 K C -1.980 174.588 176.600 -0.053 0.000 1.017 339 K CA -0.993 55.180 56.287 -0.190 0.000 0.882 339 K CB 1.550 33.869 32.500 -0.301 0.000 1.522 339 K HN 0.489 nan 8.250 nan 0.000 0.412 340 W N 2.004 123.239 121.300 -0.109 0.000 3.213 340 W HA 0.328 4.988 4.660 0.000 0.000 0.318 340 W C -1.247 175.285 176.519 0.023 0.000 1.248 340 W CA -0.785 56.566 57.345 0.008 0.000 1.187 340 W CB 1.591 30.938 29.460 -0.188 0.000 1.403 340 W HN 0.692 nan 8.180 nan 0.000 0.556 341 Y N 1.146 121.303 120.300 -0.239 0.000 2.397 341 Y HA 0.478 5.028 4.550 0.000 0.000 0.335 341 Y C 0.754 176.802 175.900 0.246 0.000 1.213 341 Y CA 0.162 58.214 58.100 -0.081 0.000 1.391 341 Y CB 0.172 38.454 38.460 -0.296 0.000 1.293 341 Y HN 0.343 nan 8.280 nan 0.000 0.557 342 A N 2.654 125.671 122.820 0.328 0.000 2.218 342 A HA 0.176 4.496 4.320 0.000 0.000 0.209 342 A C 0.189 178.097 177.584 0.540 0.000 1.168 342 A CA 0.033 52.336 52.037 0.443 0.000 0.804 342 A CB -0.258 18.864 19.000 0.204 0.000 0.834 342 A HN 0.654 nan 8.150 nan 0.000 0.482 343 L N 1.820 123.342 121.223 0.497 0.000 2.276 343 L HA 0.466 4.806 4.340 0.000 0.000 0.286 343 L C -2.660 174.404 176.870 0.324 0.000 1.024 343 L CA -2.123 52.926 54.840 0.349 0.000 0.826 343 L CB 1.838 44.017 42.059 0.200 0.000 1.211 343 L HN -0.063 nan 8.230 nan 0.000 0.422 344 P HA 0.468 nan 4.420 nan 0.000 0.298 344 P C -1.627 175.611 177.300 -0.103 0.000 1.365 344 P CA -0.404 62.581 63.100 -0.191 0.000 0.835 344 P CB 1.593 32.797 31.700 -0.828 0.000 0.948 345 A N 4.028 126.803 122.820 -0.075 0.000 2.402 345 A HA 0.472 4.792 4.320 0.000 0.000 0.291 345 A C -0.605 176.846 177.584 -0.220 0.000 1.051 345 A CA -0.652 51.300 52.037 -0.142 0.000 0.716 345 A CB 1.375 20.270 19.000 -0.176 0.000 1.223 345 A HN 0.281 nan 8.150 nan 0.000 0.425 346 V N 2.019 121.724 119.914 -0.348 0.000 2.614 346 V HA 0.438 4.558 4.120 0.000 0.000 0.291 346 V C 1.192 176.935 176.094 -0.584 0.000 1.049 346 V CA 1.016 63.037 62.300 -0.466 0.000 1.038 346 V CB 1.333 32.816 31.823 -0.567 0.000 0.980 346 V HN 1.222 nan 8.190 nan 0.000 0.481 347 A N 3.808 126.404 122.820 -0.372 0.000 2.211 347 A HA 0.121 4.441 4.320 0.000 0.000 0.208 347 A C 1.290 178.753 177.584 -0.201 0.000 1.250 347 A CA 0.411 52.281 52.037 -0.278 0.000 0.935 347 A CB -0.058 18.832 19.000 -0.183 0.000 0.982 347 A HN 0.907 nan 8.150 nan 0.000 0.490 348 N N -0.979 117.609 118.700 -0.187 0.000 2.251 348 N HA 0.277 5.017 4.740 0.000 0.000 0.217 348 N C 0.202 175.676 175.510 -0.061 0.000 1.124 348 N CA -0.218 52.762 53.050 -0.117 0.000 0.843 348 N CB 0.144 38.551 38.487 -0.134 0.000 1.024 348 N HN 0.330 nan 8.380 nan 0.000 0.501 349 M N 1.115 120.674 119.600 -0.068 0.000 2.371 349 M HA 0.366 4.846 4.480 0.000 0.000 0.301 349 M C -0.569 175.831 176.300 0.167 0.000 1.173 349 M CA -0.811 54.541 55.300 0.087 0.000 1.020 349 M CB 2.052 34.731 32.600 0.132 0.000 1.490 349 M HN 0.126 nan 8.290 nan 0.000 0.485 350 L N 2.019 123.402 121.223 0.266 0.000 2.346 350 L HA 0.574 4.914 4.340 0.000 0.000 0.276 350 L C -1.545 175.565 176.870 0.400 0.000 1.006 350 L CA -1.031 53.984 54.840 0.291 0.000 0.817 350 L CB 1.538 43.722 42.059 0.210 0.000 1.272 350 L HN 0.578 nan 8.230 nan 0.000 0.421 351 L N 4.931 126.394 121.223 0.400 0.000 2.265 351 L HA 0.456 4.796 4.340 0.000 0.000 0.289 351 L C -0.469 176.571 176.870 0.283 0.000 1.033 351 L CA 0.263 55.296 54.840 0.322 0.000 0.814 351 L CB 1.072 43.304 42.059 0.288 0.000 1.203 351 L HN 0.619 nan 8.230 nan 0.000 0.423 352 E N 5.142 125.459 120.200 0.194 0.000 2.151 352 E HA 0.500 4.850 4.350 0.000 0.000 0.275 352 E C -1.898 174.729 176.600 0.044 0.000 0.936 352 E CA -0.371 56.107 56.400 0.131 0.000 0.777 352 E CB 1.792 31.606 29.700 0.190 0.000 1.108 352 E HN 0.532 nan 8.360 nan 0.000 0.401 353 V N 3.214 123.119 119.914 -0.016 0.000 2.852 353 V HA 0.477 4.597 4.120 0.000 0.000 0.300 353 V C 0.315 176.291 176.094 -0.197 0.000 1.205 353 V CA 0.417 62.628 62.300 -0.149 0.000 0.940 353 V CB 1.462 33.114 31.823 -0.286 0.000 1.047 353 V HN 0.872 nan 8.190 nan 0.000 0.429 354 G N 4.299 113.026 108.800 -0.122 0.000 2.379 354 G HA2 0.062 4.022 3.960 0.000 0.000 0.297 354 G HA3 0.062 4.022 3.960 0.000 0.000 0.297 354 G C 1.618 176.629 174.900 0.186 0.000 1.004 354 G CA 1.537 46.707 45.100 0.116 0.000 0.921 354 G HN 2.741 nan 8.290 nan 0.000 0.511 355 G N -2.012 106.830 108.800 0.071 0.000 2.253 355 G HA2 -0.263 3.697 3.960 0.000 0.000 0.251 355 G HA3 -0.263 3.697 3.960 0.000 0.000 0.251 355 G C 0.579 175.486 174.900 0.012 0.000 0.998 355 G CA 0.589 45.743 45.100 0.090 0.000 0.621 355 G HN 1.281 nan 8.290 nan 0.000 0.524 356 L N 0.645 121.838 121.223 -0.050 0.000 2.418 356 L HA 0.664 5.004 4.340 0.000 0.000 0.265 356 L C 0.466 177.181 176.870 -0.259 0.000 1.143 356 L CA -0.415 54.292 54.840 -0.221 0.000 0.809 356 L CB 0.966 42.793 42.059 -0.387 0.000 1.124 356 L HN 0.212 nan 8.230 nan 0.000 0.456 357 E N 1.369 121.334 120.200 -0.391 0.000 2.266 357 E HA 0.458 4.808 4.350 0.000 0.000 0.268 357 E C -1.625 174.694 176.600 -0.468 0.000 0.879 357 E CA -0.497 55.743 56.400 -0.267 0.000 0.762 357 E CB 2.253 31.864 29.700 -0.149 0.000 1.199 357 E HN 0.260 nan 8.360 nan 0.000 0.422 358 F N 2.956 122.918 119.950 0.020 0.000 2.552 358 F HA 0.260 4.787 4.527 0.000 0.000 0.369 358 F C -1.615 174.242 175.800 0.094 0.000 1.112 358 F CA -1.880 56.151 58.000 0.052 0.000 1.129 358 F CB 1.585 40.615 39.000 0.049 0.000 1.360 358 F HN 0.320 nan 8.300 nan 0.000 0.473 359 P HA -0.022 nan 4.420 nan 0.000 0.239 359 P C -0.043 177.364 177.300 0.178 0.000 1.184 359 P CA 0.635 63.831 63.100 0.159 0.000 0.760 359 P CB 0.481 32.245 31.700 0.108 0.000 0.884 360 A N 0.226 123.198 122.820 0.254 0.000 2.446 360 A HA 0.535 4.855 4.320 0.000 0.000 0.282 360 A C -0.274 177.524 177.584 0.356 0.000 1.102 360 A CA -0.417 51.764 52.037 0.240 0.000 0.737 360 A CB 0.325 19.429 19.000 0.173 0.000 1.212 360 A HN 0.256 nan 8.150 nan 0.000 0.434 361 C N 0.967 120.415 119.300 0.246 0.000 3.319 361 C HA 0.488 4.948 4.460 0.000 0.000 0.258 361 C C -2.852 172.178 174.990 0.065 0.000 1.068 361 C CA -1.473 57.668 59.018 0.204 0.000 1.193 361 C CB -0.179 27.683 27.740 0.203 0.000 1.770 361 C HN 0.595 nan 8.230 nan 0.000 0.604 362 P HA 0.360 nan 4.420 nan 0.000 0.268 362 P C -0.648 176.621 177.300 -0.052 0.000 1.204 362 P CA 0.908 63.911 63.100 -0.162 0.000 0.768 362 P CB 0.586 32.254 31.700 -0.053 0.000 0.842 363 F N 0.609 120.507 119.950 -0.087 0.000 2.613 363 F HA 0.680 5.207 4.527 0.000 0.000 0.314 363 F C -0.582 175.119 175.800 -0.165 0.000 1.075 363 F CA -1.364 56.564 58.000 -0.121 0.000 0.945 363 F CB 1.519 40.280 39.000 -0.399 0.000 1.310 363 F HN 0.343 nan 8.300 nan 0.000 0.467 364 N N -0.187 118.610 118.700 0.161 0.000 2.416 364 N HA 0.746 5.486 4.740 0.000 0.000 0.276 364 N C -1.133 174.312 175.510 -0.109 0.000 1.261 364 N CA -0.411 52.660 53.050 0.035 0.000 0.790 364 N CB 2.105 40.650 38.487 0.098 0.000 1.554 364 N HN 1.052 nan 8.380 nan 0.000 0.481 365 G N -0.710 107.992 108.800 -0.164 0.000 3.291 365 G HA2 0.688 4.648 3.960 0.000 0.000 0.173 365 G HA3 0.688 4.648 3.960 0.000 0.000 0.173 365 G C -1.725 173.119 174.900 -0.093 0.000 1.099 365 G CA -0.630 44.283 45.100 -0.312 0.000 0.794 365 G HN 0.719 nan 8.290 nan 0.000 0.651 366 W N -1.893 119.383 121.300 -0.040 0.000 3.040 366 W HA 0.819 5.479 4.660 0.000 0.000 0.344 366 W C -1.548 174.919 176.519 -0.087 0.000 1.201 366 W CA -2.225 55.107 57.345 -0.022 0.000 1.119 366 W CB 0.310 29.801 29.460 0.051 0.000 1.478 366 W HN 0.425 nan 8.180 nan 0.000 0.586 367 Y N 2.068 122.538 120.300 0.284 0.000 2.314 367 Y HA 0.343 4.893 4.550 0.000 0.000 0.334 367 Y C 0.661 176.575 175.900 0.024 0.000 1.266 367 Y CA -0.462 57.656 58.100 0.031 0.000 1.391 367 Y CB 1.189 39.526 38.460 -0.205 0.000 1.306 367 Y HN 0.394 nan 8.280 nan 0.000 0.558 368 M N 2.317 122.013 119.600 0.160 0.000 2.125 368 M HA 0.345 4.825 4.480 0.000 0.000 0.321 368 M C 0.991 177.235 176.300 -0.093 0.000 0.983 368 M CA -0.232 55.091 55.300 0.039 0.000 0.934 368 M CB 1.201 33.806 32.600 0.009 0.000 1.542 368 M HN 0.858 nan 8.290 nan 0.000 0.424 369 G N 2.172 110.870 108.800 -0.171 0.000 2.759 369 G HA2 -0.411 3.549 3.960 0.000 0.000 0.224 369 G HA3 -0.411 3.549 3.960 0.000 0.000 0.224 369 G C 1.129 175.833 174.900 -0.327 0.000 1.173 369 G CA 2.288 47.219 45.100 -0.280 0.000 0.770 369 G HN 0.883 nan 8.290 nan 0.000 0.626 370 T N -0.748 113.617 114.554 -0.314 0.000 2.822 370 T HA -0.125 4.225 4.350 0.000 0.000 0.270 370 T C 1.921 176.414 174.700 -0.345 0.000 1.064 370 T CA 1.888 63.758 62.100 -0.384 0.000 1.131 370 T CB -0.395 68.174 68.868 -0.498 0.000 0.858 370 T HN 0.621 nan 8.240 nan 0.000 0.483 371 E N 0.942 120.967 120.200 -0.291 0.000 2.038 371 E HA -0.064 4.286 4.350 0.000 0.000 0.195 371 E C 2.186 178.505 176.600 -0.468 0.000 1.000 371 E CA 1.565 57.812 56.400 -0.255 0.000 0.803 371 E CB -0.301 29.394 29.700 -0.008 0.000 0.750 371 E HN 0.587 nan 8.360 nan 0.000 0.448 372 I N 0.520 120.655 120.570 -0.726 0.000 2.270 372 I HA -0.081 4.089 4.170 0.000 0.000 0.239 372 I C 2.662 178.115 176.117 -1.107 0.000 1.080 372 I CA 0.964 61.517 61.300 -1.245 0.000 1.383 372 I CB -0.651 36.483 38.000 -1.443 0.000 1.097 372 I HN 0.124 nan 8.210 nan 0.000 0.420 373 G N 0.625 109.007 108.800 -0.696 0.000 2.442 373 G HA2 -0.167 3.793 3.960 0.000 0.000 0.219 373 G HA3 -0.167 3.793 3.960 0.000 0.000 0.219 373 G C 1.586 176.375 174.900 -0.185 0.000 1.141 373 G CA 1.331 46.231 45.100 -0.333 0.000 0.763 373 G HN 0.256 nan 8.290 nan 0.000 0.554 374 V N -0.135 119.624 119.914 -0.258 0.000 2.521 374 V HA 0.102 4.223 4.120 0.000 0.000 0.239 374 V C 2.776 178.778 176.094 -0.153 0.000 1.053 374 V CA 0.847 63.041 62.300 -0.177 0.000 1.073 374 V CB -0.243 31.448 31.823 -0.221 0.000 0.746 374 V HN 0.095 nan 8.190 nan 0.000 0.476 375 R N 0.843 121.211 120.500 -0.219 0.000 2.055 375 R HA -0.040 4.300 4.340 0.000 0.000 0.228 375 R C 1.992 178.223 176.300 -0.115 0.000 1.143 375 R CA 1.586 57.588 56.100 -0.165 0.000 0.945 375 R CB -1.117 29.066 30.300 -0.194 0.000 0.841 375 R HN 0.480 nan 8.270 nan 0.000 0.429 376 D N 0.348 120.581 120.400 -0.279 0.000 2.097 376 D HA -0.125 4.515 4.640 0.000 0.000 0.195 376 D C 1.905 178.261 176.300 0.094 0.000 0.989 376 D CA 1.114 54.961 54.000 -0.255 0.000 0.827 376 D CB -0.202 39.927 40.800 -1.118 0.000 0.966 376 D HN 0.085 nan 8.370 nan 0.000 0.456 377 F N 0.364 120.221 119.950 -0.155 0.000 2.270 377 F HA 0.012 4.539 4.527 0.000 0.000 0.295 377 F C 2.377 178.224 175.800 0.078 0.000 1.087 377 F CA -0.174 57.830 58.000 0.007 0.000 1.365 377 F CB -0.718 38.263 39.000 -0.032 0.000 1.056 377 F HN 0.041 nan 8.300 nan 0.000 0.506 378 C N -1.239 118.186 119.300 0.208 0.000 2.912 378 C HA 0.191 4.652 4.460 0.000 0.000 0.274 378 C C 0.476 175.521 174.990 0.091 0.000 1.248 378 C CA -0.729 58.367 59.018 0.131 0.000 1.694 378 C CB -0.657 27.121 27.740 0.065 0.000 2.024 378 C HN 0.068 nan 8.230 nan 0.000 0.605 379 D N 1.411 121.864 120.400 0.088 0.000 2.443 379 D HA 0.078 4.718 4.640 0.000 0.000 0.239 379 D C 1.292 177.653 176.300 0.102 0.000 1.136 379 D CA 0.611 54.656 54.000 0.075 0.000 0.879 379 D CB 0.955 41.800 40.800 0.074 0.000 1.195 379 D HN 0.125 nan 8.370 nan 0.000 0.443 380 T N 1.383 115.987 114.554 0.084 0.000 2.674 380 T HA -0.197 4.153 4.350 0.000 0.000 0.265 380 T C 1.674 176.428 174.700 0.089 0.000 1.039 380 T CA 1.172 63.323 62.100 0.085 0.000 1.150 380 T CB -0.085 68.828 68.868 0.073 0.000 0.864 380 T HN 0.532 nan 8.240 nan 0.000 0.427 381 Q N 1.039 120.897 119.800 0.097 0.000 2.541 381 Q HA -0.022 4.318 4.340 0.000 0.000 0.215 381 Q C 1.063 177.125 176.000 0.103 0.000 0.977 381 Q CA 0.771 56.635 55.803 0.101 0.000 0.934 381 Q CB 0.004 28.822 28.738 0.133 0.000 0.988 381 Q HN 0.346 nan 8.270 nan 0.000 0.521 382 R N -0.372 120.202 120.500 0.123 0.000 2.769 382 R HA 0.232 4.572 4.340 0.000 0.000 0.117 382 R C 1.597 177.962 176.300 0.108 0.000 1.152 382 R CA -0.384 55.815 56.100 0.164 0.000 0.887 382 R CB -1.120 29.354 30.300 0.289 0.000 1.099 382 R HN 0.072 nan 8.270 nan 0.000 0.398 383 Y N 1.534 121.981 120.300 0.245 0.000 2.509 383 Y HA -0.079 4.471 4.550 0.000 0.000 0.293 383 Y C 0.666 176.658 175.900 0.152 0.000 1.133 383 Y CA 0.854 59.093 58.100 0.231 0.000 1.283 383 Y CB -0.477 38.201 38.460 0.363 0.000 1.001 383 Y HN 0.506 nan 8.280 nan 0.000 0.555 384 N N 0.816 119.666 118.700 0.251 0.000 2.686 384 N HA -0.234 4.506 4.740 0.000 0.000 0.261 384 N C 0.271 175.875 175.510 0.158 0.000 1.001 384 N CA 0.810 53.962 53.050 0.170 0.000 0.764 384 N CB -1.301 37.256 38.487 0.116 0.000 0.898 384 N HN 0.652 nan 8.380 nan 0.000 0.544 385 I N -3.150 117.523 120.570 0.171 0.000 3.793 385 I HA 0.103 4.273 4.170 0.000 0.000 0.315 385 I C 1.649 177.850 176.117 0.140 0.000 1.275 385 I CA -0.449 60.923 61.300 0.119 0.000 1.214 385 I CB -0.093 37.932 38.000 0.043 0.000 1.018 385 I HN 0.205 nan 8.210 nan 0.000 0.439 386 L N 1.407 122.731 121.223 0.169 0.000 1.989 386 L HA -0.236 4.104 4.340 0.000 0.000 0.211 386 L C 2.712 179.807 176.870 0.376 0.000 1.071 386 L CA 2.356 57.330 54.840 0.223 0.000 0.749 386 L CB -0.346 41.793 42.059 0.134 0.000 0.890 386 L HN 0.446 nan 8.230 nan 0.000 0.431 387 E N 0.791 121.191 120.200 0.333 0.000 2.048 387 E HA -0.310 4.040 4.350 0.000 0.000 0.202 387 E C 1.885 178.506 176.600 0.034 0.000 1.021 387 E CA 2.357 58.883 56.400 0.210 0.000 0.825 387 E CB -0.151 29.618 29.700 0.116 0.000 0.756 387 E HN 0.652 nan 8.360 nan 0.000 0.454 388 E N -0.429 119.791 120.200 0.033 0.000 2.208 388 E HA -0.099 4.251 4.350 0.000 0.000 0.193 388 E C 2.113 178.689 176.600 -0.040 0.000 0.988 388 E CA 1.145 57.521 56.400 -0.040 0.000 0.828 388 E CB -0.128 29.550 29.700 -0.037 0.000 0.763 388 E HN 0.207 nan 8.360 nan 0.000 0.478 389 V N 1.631 121.593 119.914 0.079 0.000 2.626 389 V HA -0.122 3.998 4.120 0.000 0.000 0.252 389 V C 2.389 178.550 176.094 0.110 0.000 1.067 389 V CA 1.755 64.151 62.300 0.160 0.000 1.081 389 V CB -0.590 31.395 31.823 0.271 0.000 0.686 389 V HN 0.529 nan 8.190 nan 0.000 0.468 390 G N 0.269 109.152 108.800 0.138 0.000 2.453 390 G HA2 -0.211 3.749 3.960 0.000 0.000 0.215 390 G HA3 -0.211 3.749 3.960 0.000 0.000 0.215 390 G C 1.700 176.516 174.900 -0.141 0.000 1.201 390 G CA 0.562 45.721 45.100 0.098 0.000 0.784 390 G HN 0.418 nan 8.290 nan 0.000 0.545 391 R N 0.068 120.419 120.500 -0.248 0.000 2.105 391 R HA -0.007 4.333 4.340 0.000 0.000 0.239 391 R C 2.639 178.751 176.300 -0.313 0.000 1.135 391 R CA 0.915 56.847 56.100 -0.280 0.000 0.967 391 R CB -0.327 29.817 30.300 -0.259 0.000 0.861 391 R HN 0.229 nan 8.270 nan 0.000 0.442 392 R N 0.300 120.536 120.500 -0.440 0.000 2.193 392 R HA -0.022 4.318 4.340 0.000 0.000 0.229 392 R C 1.841 177.729 176.300 -0.687 0.000 1.110 392 R CA 0.984 56.556 56.100 -0.881 0.000 0.988 392 R CB -0.101 29.224 30.300 -1.626 0.000 0.871 392 R HN 0.311 nan 8.270 nan 0.000 0.458 393 M N -0.697 118.757 119.600 -0.243 0.000 2.495 393 M HA 0.132 4.612 4.480 0.000 0.000 0.237 393 M C 0.552 176.870 176.300 0.029 0.000 1.131 393 M CA 0.334 55.664 55.300 0.049 0.000 1.032 393 M CB 0.783 33.459 32.600 0.127 0.000 1.513 393 M HN 0.281 nan 8.290 nan 0.000 0.488 394 G N 1.916 110.665 108.800 -0.085 0.000 2.272 394 G HA2 -0.202 3.758 3.960 0.000 0.000 0.280 394 G HA3 -0.202 3.758 3.960 0.000 0.000 0.280 394 G C -0.511 174.360 174.900 -0.048 0.000 1.067 394 G CA -0.261 44.796 45.100 -0.071 0.000 0.902 394 G HN 0.242 nan 8.290 nan 0.000 0.500 395 L N -0.653 120.522 121.223 -0.080 0.000 2.365 395 L HA 0.516 4.856 4.340 0.000 0.000 0.267 395 L C 0.967 177.721 176.870 -0.194 0.000 1.033 395 L CA -1.056 53.747 54.840 -0.061 0.000 0.802 395 L CB 0.817 42.905 42.059 0.049 0.000 1.267 395 L HN 0.318 nan 8.230 nan 0.000 0.457 396 E N -0.279 119.834 120.200 -0.146 0.000 1.972 396 E HA 0.044 4.394 4.350 0.000 0.000 0.292 396 E C 0.603 176.889 176.600 -0.523 0.000 1.193 396 E CA 0.080 56.359 56.400 -0.201 0.000 1.228 396 E CB -0.133 29.545 29.700 -0.036 0.000 1.167 396 E HN 0.656 nan 8.360 nan 0.000 0.479 397 T N -1.735 112.246 114.554 -0.954 0.000 3.139 397 T HA -0.154 4.196 4.350 0.000 0.000 0.267 397 T C 0.931 174.973 174.700 -1.096 0.000 1.164 397 T CA 0.773 61.813 62.100 -1.767 0.000 1.075 397 T CB -0.088 67.817 68.868 -1.605 0.000 0.904 397 T HN 0.408 nan 8.240 nan 0.000 0.540 398 H N 0.133 119.002 119.070 -0.336 0.000 2.755 398 H HA 0.278 4.834 4.556 0.000 0.000 0.273 398 H C -0.066 175.266 175.328 0.007 0.000 1.055 398 H CA -0.038 55.943 56.048 -0.112 0.000 1.191 398 H CB 0.721 30.424 29.762 -0.099 0.000 1.536 398 H HN 0.356 nan 8.280 nan 0.000 0.529 399 T N 3.219 117.844 114.554 0.118 0.000 2.991 399 T HA 0.142 4.492 4.350 0.000 0.000 0.347 399 T C 1.400 176.263 174.700 0.273 0.000 1.122 399 T CA -0.425 61.774 62.100 0.165 0.000 1.062 399 T CB 1.280 70.218 68.868 0.116 0.000 1.043 399 T HN -0.030 nan 8.240 nan 0.000 0.491 400 L N 1.963 123.344 121.223 0.262 0.000 2.051 400 L HA -0.180 4.160 4.340 0.000 0.000 0.214 400 L C 2.755 179.717 176.870 0.153 0.000 1.076 400 L CA 2.153 57.131 54.840 0.230 0.000 0.758 400 L CB -1.415 40.726 42.059 0.137 0.000 0.890 400 L HN 0.731 nan 8.230 nan 0.000 0.433 401 A N -0.167 122.727 122.820 0.123 0.000 2.076 401 A HA -0.196 4.124 4.320 0.000 0.000 0.220 401 A C 2.406 180.051 177.584 0.102 0.000 1.160 401 A CA 1.698 53.789 52.037 0.089 0.000 0.653 401 A CB -0.551 18.493 19.000 0.073 0.000 0.801 401 A HN 0.633 nan 8.150 nan 0.000 0.455 402 S N -0.595 115.199 115.700 0.157 0.000 2.442 402 S HA -0.004 4.466 4.470 0.000 0.000 0.236 402 S C 0.928 175.622 174.600 0.156 0.000 1.007 402 S CA 0.888 59.187 58.200 0.164 0.000 0.965 402 S CB -0.701 62.625 63.200 0.209 0.000 0.773 402 S HN 0.936 nan 8.310 nan 0.000 0.504 403 L N 0.220 121.518 121.223 0.125 0.000 3.898 403 L HA -0.159 4.181 4.340 0.000 0.000 0.407 403 L C 1.589 178.479 176.870 0.033 0.000 1.207 403 L CA 0.698 55.550 54.840 0.020 0.000 0.931 403 L CB -2.631 39.443 42.059 0.024 0.000 2.014 403 L HN 0.749 nan 8.230 nan 0.000 0.858 404 W N 0.296 121.606 121.300 0.015 0.000 2.363 404 W HA -0.148 4.512 4.660 0.000 0.000 0.296 404 W C 1.727 178.257 176.519 0.018 0.000 1.212 404 W CA 1.371 58.724 57.345 0.013 0.000 1.260 404 W CB -0.802 28.653 29.460 -0.008 0.000 1.131 404 W HN 0.277 nan 8.180 nan 0.000 0.530 405 K N 1.149 121.008 120.400 -0.902 0.000 2.032 405 K HA -0.191 4.129 4.320 0.000 0.000 0.209 405 K C 1.481 177.899 176.600 -0.303 0.000 1.048 405 K CA 2.457 58.239 56.287 -0.841 0.000 0.927 405 K CB -0.504 31.401 32.500 -0.991 0.000 0.712 405 K HN 0.077 nan 8.250 nan 0.000 0.441 406 D N 0.095 120.371 120.400 -0.207 0.000 2.178 406 D HA -0.111 4.529 4.640 0.000 0.000 0.201 406 D C 1.952 178.243 176.300 -0.015 0.000 0.980 406 D CA 0.840 54.788 54.000 -0.087 0.000 0.842 406 D CB 0.091 40.858 40.800 -0.054 0.000 0.948 406 D HN 0.089 nan 8.370 nan 0.000 0.472 407 R N 0.532 121.047 120.500 0.024 0.000 2.062 407 R HA 0.097 4.437 4.340 0.000 0.000 0.229 407 R C 2.260 178.624 176.300 0.106 0.000 1.128 407 R CA 1.107 57.260 56.100 0.088 0.000 0.960 407 R CB -0.590 29.793 30.300 0.138 0.000 0.855 407 R HN 0.209 nan 8.270 nan 0.000 0.432 408 A N 1.007 123.901 122.820 0.122 0.000 1.858 408 A HA -0.114 4.206 4.320 0.000 0.000 0.216 408 A C 2.447 180.097 177.584 0.109 0.000 1.190 408 A CA 1.610 53.737 52.037 0.150 0.000 0.617 408 A CB -0.790 18.346 19.000 0.227 0.000 0.827 408 A HN 0.093 nan 8.150 nan 0.000 0.443 409 V N 0.115 120.058 119.914 0.048 0.000 2.317 409 V HA -0.303 3.817 4.120 0.000 0.000 0.251 409 V C 2.715 178.830 176.094 0.035 0.000 1.065 409 V CA 2.616 64.933 62.300 0.028 0.000 1.049 409 V CB -1.534 30.267 31.823 -0.036 0.000 0.651 409 V HN 0.629 nan 8.190 nan 0.000 0.450 410 T N -0.771 113.809 114.554 0.043 0.000 2.746 410 T HA -0.161 4.189 4.350 0.000 0.000 0.267 410 T C 1.899 176.639 174.700 0.067 0.000 1.039 410 T CA 1.399 63.533 62.100 0.056 0.000 1.142 410 T CB -0.257 68.655 68.868 0.073 0.000 0.866 410 T HN 0.454 nan 8.240 nan 0.000 0.444 411 E N 0.922 121.183 120.200 0.103 0.000 2.106 411 E HA 0.002 4.352 4.350 0.000 0.000 0.192 411 E C 2.243 178.865 176.600 0.036 0.000 0.984 411 E CA 0.653 57.138 56.400 0.141 0.000 0.806 411 E CB -0.402 29.381 29.700 0.138 0.000 0.750 411 E HN 0.528 nan 8.360 nan 0.000 0.458 412 I N 1.516 122.140 120.570 0.091 0.000 2.179 412 I HA -0.274 3.896 4.170 0.000 0.000 0.242 412 I C 2.094 178.229 176.117 0.031 0.000 1.088 412 I CA 0.851 62.235 61.300 0.140 0.000 1.357 412 I CB -0.374 37.790 38.000 0.273 0.000 1.051 412 I HN 0.054 nan 8.210 nan 0.000 0.409 413 N N 0.765 119.465 118.700 0.001 0.000 2.104 413 N HA -0.147 4.593 4.740 0.000 0.000 0.190 413 N C 1.929 177.395 175.510 -0.073 0.000 1.024 413 N CA 1.301 54.320 53.050 -0.052 0.000 0.853 413 N CB -0.354 38.106 38.487 -0.046 0.000 1.008 413 N HN 0.170 nan 8.380 nan 0.000 0.424 414 V N 1.593 121.447 119.914 -0.099 0.000 2.407 414 V HA -0.198 3.922 4.120 0.000 0.000 0.248 414 V C 2.448 178.374 176.094 -0.281 0.000 1.055 414 V CA 1.691 63.887 62.300 -0.174 0.000 1.049 414 V CB -0.939 30.752 31.823 -0.219 0.000 0.662 414 V HN 0.282 nan 8.190 nan 0.000 0.455 415 A N 0.055 122.626 122.820 -0.414 0.000 1.865 415 A HA -0.177 4.143 4.320 0.000 0.000 0.217 415 A C 2.420 179.952 177.584 -0.087 0.000 1.191 415 A CA 2.261 54.015 52.037 -0.470 0.000 0.623 415 A CB -0.826 17.601 19.000 -0.954 0.000 0.826 415 A HN 0.315 nan 8.150 nan 0.000 0.444 416 V N -0.099 119.812 119.914 -0.003 0.000 2.255 416 V HA -0.251 3.869 4.120 0.000 0.000 0.247 416 V C 2.547 178.688 176.094 0.078 0.000 1.051 416 V CA 1.952 64.297 62.300 0.075 0.000 1.018 416 V CB -0.834 30.933 31.823 -0.094 0.000 0.641 416 V HN 0.480 nan 8.190 nan 0.000 0.445 417 L N -0.273 120.940 121.223 -0.016 0.000 1.989 417 L HA -0.210 4.131 4.340 0.000 0.000 0.211 417 L C 2.477 179.382 176.870 0.059 0.000 1.071 417 L CA 2.290 57.129 54.840 -0.002 0.000 0.749 417 L CB -1.687 40.365 42.059 -0.012 0.000 0.890 417 L HN 0.538 nan 8.230 nan 0.000 0.431 418 H N -0.929 118.104 119.070 -0.063 0.000 2.319 418 H HA -0.129 4.427 4.556 0.000 0.000 0.299 418 H C 2.124 177.446 175.328 -0.011 0.000 1.092 418 H CA 1.840 57.847 56.048 -0.068 0.000 1.302 418 H CB 0.454 30.117 29.762 -0.165 0.000 1.373 418 H HN 0.274 nan 8.280 nan 0.000 0.497 419 S N 0.265 115.937 115.700 -0.046 0.000 2.359 419 S HA -0.138 4.332 4.470 0.000 0.000 0.224 419 S C 2.001 176.562 174.600 -0.065 0.000 1.035 419 S CA 1.370 59.523 58.200 -0.079 0.000 1.018 419 S CB -0.538 62.697 63.200 0.060 0.000 0.876 419 S HN 0.303 nan 8.310 nan 0.000 0.448 420 F N 1.992 121.878 119.950 -0.107 0.000 2.171 420 F HA -0.109 4.418 4.527 0.000 0.000 0.300 420 F C 2.645 178.381 175.800 -0.108 0.000 1.090 420 F CA 1.116 59.064 58.000 -0.087 0.000 1.293 420 F CB -0.537 38.422 39.000 -0.069 0.000 1.013 420 F HN 0.236 nan 8.300 nan 0.000 0.486 421 Q N -0.162 119.668 119.800 0.050 0.000 2.046 421 Q HA -0.221 4.119 4.340 0.000 0.000 0.200 421 Q C 2.248 178.186 176.000 -0.103 0.000 0.975 421 Q CA 1.512 57.296 55.803 -0.032 0.000 0.836 421 Q CB -0.300 28.413 28.738 -0.042 0.000 0.896 421 Q HN 0.338 nan 8.270 nan 0.000 0.428 422 K N 1.063 121.339 120.400 -0.206 0.000 2.032 422 K HA -0.197 4.123 4.320 0.000 0.000 0.209 422 K C 1.410 177.925 176.600 -0.142 0.000 1.048 422 K CA 1.415 57.570 56.287 -0.220 0.000 0.927 422 K CB 0.114 32.391 32.500 -0.372 0.000 0.712 422 K HN 0.162 nan 8.250 nan 0.000 0.441 423 Q N 0.701 120.414 119.800 -0.145 0.000 2.282 423 Q HA 0.085 4.425 4.340 0.000 0.000 0.205 423 Q C -0.711 175.227 176.000 -0.103 0.000 0.915 423 Q CA -0.178 55.549 55.803 -0.127 0.000 0.949 423 Q CB 0.257 28.896 28.738 -0.166 0.000 1.035 423 Q HN 0.305 nan 8.270 nan 0.000 0.484 424 N N -0.252 118.399 118.700 -0.080 0.000 2.727 424 N HA -0.156 4.584 4.740 0.000 0.000 0.249 424 N C -1.264 174.219 175.510 -0.045 0.000 1.048 424 N CA 0.620 53.635 53.050 -0.058 0.000 0.714 424 N CB -1.371 37.083 38.487 -0.055 0.000 0.959 424 N HN 0.050 nan 8.380 nan 0.000 0.544 425 V N 0.941 120.842 119.914 -0.022 0.000 2.384 425 V HA 0.210 4.330 4.120 0.000 0.000 0.287 425 V C 0.869 177.059 176.094 0.161 0.000 1.020 425 V CA -0.644 61.682 62.300 0.043 0.000 0.850 425 V CB 1.912 33.697 31.823 -0.063 0.000 0.987 425 V HN 0.180 nan 8.190 nan 0.000 0.436 426 T N 6.610 121.192 114.554 0.046 0.000 2.923 426 T HA 0.356 4.706 4.350 0.000 0.000 0.304 426 T C -0.181 174.511 174.700 -0.014 0.000 1.044 426 T CA 1.038 63.072 62.100 -0.111 0.000 1.141 426 T CB 0.088 68.748 68.868 -0.348 0.000 1.023 426 T HN 0.610 nan 8.240 nan 0.000 0.533 427 I N 1.814 122.298 120.570 -0.143 0.000 2.951 427 I HA 0.588 4.758 4.170 0.000 0.000 0.304 427 I C -1.891 174.178 176.117 -0.080 0.000 1.550 427 I CA -1.040 60.198 61.300 -0.103 0.000 0.947 427 I CB 1.962 39.795 38.000 -0.279 0.000 1.351 427 I HN 0.687 nan 8.210 nan 0.000 0.548 428 M N 3.549 123.156 119.600 0.011 0.000 2.413 428 M HA 0.346 4.826 4.480 0.000 0.000 0.287 428 M C -1.911 174.418 176.300 0.049 0.000 1.186 428 M CA -0.517 54.814 55.300 0.052 0.000 0.927 428 M CB 2.007 34.705 32.600 0.164 0.000 1.715 428 M HN 0.657 nan 8.290 nan 0.000 0.478 429 D N 1.699 122.131 120.400 0.054 0.000 2.360 429 D HA 0.092 4.732 4.640 0.000 0.000 0.242 429 D C 1.055 177.410 176.300 0.092 0.000 1.184 429 D CA 0.003 54.063 54.000 0.100 0.000 0.930 429 D CB 0.532 41.383 40.800 0.086 0.000 1.161 429 D HN 0.681 nan 8.370 nan 0.000 0.447 430 H N -0.229 118.756 119.070 -0.142 0.000 2.495 430 H HA -0.089 4.467 4.556 0.000 0.000 0.287 430 H C 1.106 176.304 175.328 -0.218 0.000 1.033 430 H CA 1.220 57.142 56.048 -0.211 0.000 1.307 430 H CB -0.666 28.911 29.762 -0.308 0.000 1.401 430 H HN 0.530 nan 8.280 nan 0.000 0.555 431 H N 0.889 119.749 119.070 -0.350 0.000 2.307 431 H HA -0.020 4.536 4.556 0.000 0.000 0.303 431 H C 1.879 177.165 175.328 -0.070 0.000 1.073 431 H CA 1.850 57.764 56.048 -0.223 0.000 1.338 431 H CB -0.317 29.284 29.762 -0.268 0.000 1.389 431 H HN 0.349 nan 8.280 nan 0.000 0.503 432 T N 1.309 115.906 114.554 0.072 0.000 2.788 432 T HA -0.103 4.247 4.350 0.000 0.000 0.268 432 T C 2.304 177.056 174.700 0.087 0.000 1.044 432 T CA 1.138 63.282 62.100 0.073 0.000 1.139 432 T CB -0.370 68.537 68.868 0.065 0.000 0.867 432 T HN 0.437 nan 8.240 nan 0.000 0.454 433 A N 1.306 124.173 122.820 0.079 0.000 1.883 433 A HA -0.117 4.203 4.320 0.000 0.000 0.217 433 A C 2.629 180.283 177.584 0.116 0.000 1.186 433 A CA 2.086 54.182 52.037 0.099 0.000 0.624 433 A CB -0.953 18.091 19.000 0.072 0.000 0.822 433 A HN 0.448 nan 8.150 nan 0.000 0.444 434 S N -0.329 115.422 115.700 0.085 0.000 2.348 434 S HA -0.179 4.292 4.470 0.000 0.000 0.221 434 S C 1.867 176.571 174.600 0.174 0.000 1.033 434 S CA 1.561 59.837 58.200 0.126 0.000 1.010 434 S CB -0.393 62.855 63.200 0.080 0.000 0.891 434 S HN 0.691 nan 8.310 nan 0.000 0.442 435 E N 0.837 121.113 120.200 0.127 0.000 2.118 435 E HA -0.150 4.200 4.350 0.000 0.000 0.195 435 E C 2.263 178.932 176.600 0.115 0.000 0.992 435 E CA 1.193 57.658 56.400 0.110 0.000 0.804 435 E CB -0.219 29.529 29.700 0.080 0.000 0.741 435 E HN 0.390 nan 8.360 nan 0.000 0.458 436 S N 0.195 115.975 115.700 0.133 0.000 2.353 436 S HA -0.207 4.263 4.470 0.000 0.000 0.222 436 S C 1.755 176.455 174.600 0.166 0.000 1.035 436 S CA 1.203 59.485 58.200 0.137 0.000 1.025 436 S CB -0.325 62.965 63.200 0.150 0.000 0.902 436 S HN 0.347 nan 8.310 nan 0.000 0.440 437 F N 2.073 122.070 119.950 0.078 0.000 2.102 437 F HA -0.055 4.472 4.527 0.000 0.000 0.298 437 F C 2.212 178.088 175.800 0.127 0.000 1.105 437 F CA 1.718 59.781 58.000 0.105 0.000 1.239 437 F CB -0.433 38.609 39.000 0.069 0.000 0.991 437 F HN 0.181 nan 8.300 nan 0.000 0.474 438 M N 0.238 119.868 119.600 0.050 0.000 2.106 438 M HA -0.251 4.229 4.480 0.000 0.000 0.259 438 M C 2.230 178.456 176.300 -0.122 0.000 1.068 438 M CA 1.821 57.090 55.300 -0.052 0.000 1.100 438 M CB -1.250 31.389 32.600 0.064 0.000 1.351 438 M HN 0.119 nan 8.290 nan 0.000 0.404 439 K N -0.306 120.068 120.400 -0.042 0.000 2.026 439 K HA -0.210 4.110 4.320 0.000 0.000 0.208 439 K C 1.952 178.514 176.600 -0.063 0.000 1.048 439 K CA 1.891 58.160 56.287 -0.030 0.000 0.929 439 K CB -0.670 31.843 32.500 0.022 0.000 0.713 439 K HN 0.380 nan 8.250 nan 0.000 0.439 440 H N 0.036 118.997 119.070 -0.182 0.000 2.290 440 H HA -0.124 4.432 4.556 0.000 0.000 0.298 440 H C 2.023 177.183 175.328 -0.280 0.000 1.087 440 H CA 2.649 58.571 56.048 -0.211 0.000 1.291 440 H CB -0.316 29.295 29.762 -0.253 0.000 1.369 440 H HN 0.281 nan 8.280 nan 0.000 0.492 441 M N 0.246 119.471 119.600 -0.624 0.000 2.106 441 M HA -0.260 4.220 4.480 0.000 0.000 0.259 441 M C 2.453 178.632 176.300 -0.201 0.000 1.068 441 M CA 2.387 57.380 55.300 -0.510 0.000 1.100 441 M CB -0.184 32.090 32.600 -0.544 0.000 1.351 441 M HN 0.705 nan 8.290 nan 0.000 0.404 442 Q N -0.683 119.007 119.800 -0.183 0.000 2.123 442 Q HA -0.162 4.178 4.340 0.000 0.000 0.199 442 Q C 1.387 177.353 176.000 -0.057 0.000 0.966 442 Q CA 1.512 57.261 55.803 -0.090 0.000 0.845 442 Q CB -0.560 28.129 28.738 -0.081 0.000 0.907 442 Q HN 0.492 nan 8.270 nan 0.000 0.439 443 N N 1.113 119.749 118.700 -0.107 0.000 2.084 443 N HA -0.186 4.554 4.740 0.000 0.000 0.190 443 N C 1.628 177.064 175.510 -0.122 0.000 1.030 443 N CA 1.674 54.676 53.050 -0.080 0.000 0.849 443 N CB -0.285 38.173 38.487 -0.049 0.000 1.012 443 N HN 0.341 nan 8.380 nan 0.000 0.423 444 E N 0.202 120.242 120.200 -0.267 0.000 2.058 444 E HA -0.130 4.220 4.350 0.000 0.000 0.194 444 E C 1.623 178.105 176.600 -0.197 0.000 0.997 444 E CA 1.117 57.322 56.400 -0.324 0.000 0.801 444 E CB -0.314 29.050 29.700 -0.561 0.000 0.746 444 E HN 0.407 nan 8.360 nan 0.000 0.450 445 Y N -0.018 120.167 120.300 -0.192 0.000 2.352 445 Y HA -0.077 4.473 4.550 0.000 0.000 0.292 445 Y C 2.475 178.323 175.900 -0.087 0.000 1.136 445 Y CA 1.570 59.600 58.100 -0.116 0.000 1.227 445 Y CB -0.048 38.356 38.460 -0.093 0.000 0.991 445 Y HN -0.008 nan 8.280 nan 0.000 0.545 446 R N -0.245 120.280 120.500 0.041 0.000 2.062 446 R HA -0.055 4.285 4.340 0.000 0.000 0.226 446 R C 2.340 178.625 176.300 -0.024 0.000 1.125 446 R CA 1.068 57.175 56.100 0.012 0.000 0.966 446 R CB -0.327 29.977 30.300 0.006 0.000 0.861 446 R HN 0.234 nan 8.270 nan 0.000 0.433 447 A N 1.566 124.357 122.820 -0.050 0.000 1.930 447 A HA -0.142 4.178 4.320 0.000 0.000 0.217 447 A C 1.690 179.223 177.584 -0.084 0.000 1.175 447 A CA 1.556 53.559 52.037 -0.057 0.000 0.627 447 A CB -0.156 18.809 19.000 -0.058 0.000 0.815 447 A HN 0.546 nan 8.150 nan 0.000 0.443 448 R N -2.703 117.717 120.500 -0.135 0.000 2.569 448 R HA 0.397 4.737 4.340 0.000 0.000 0.422 448 R C 0.696 176.882 176.300 -0.190 0.000 0.980 448 R CA 0.349 56.360 56.100 -0.149 0.000 1.164 448 R CB -0.725 29.476 30.300 -0.165 0.000 1.520 448 R HN 0.802 nan 8.270 nan 0.000 0.567 449 G N 0.133 108.811 108.800 -0.203 0.000 2.295 449 G HA2 -0.043 3.917 3.960 0.000 0.000 0.287 449 G HA3 -0.043 3.917 3.960 0.000 0.000 0.287 449 G C 0.240 174.822 174.900 -0.530 0.000 1.055 449 G CA 0.258 45.213 45.100 -0.241 0.000 0.922 449 G HN 0.969 nan 8.290 nan 0.000 0.503 450 G N -2.553 105.643 108.800 -1.006 0.000 2.328 450 G HA2 0.571 4.531 3.960 0.000 0.000 0.299 450 G HA3 0.571 4.531 3.960 0.000 0.000 0.299 450 G C -0.818 173.596 174.900 -0.810 0.000 1.435 450 G CA 0.305 44.663 45.100 -1.237 0.000 0.865 450 G HN 2.000 nan 8.290 nan 0.000 0.601 451 C N 2.174 121.260 119.300 -0.356 0.000 3.029 451 C HA 0.601 5.061 4.460 0.000 0.000 0.396 451 C C -2.606 172.355 174.990 -0.048 0.000 1.072 451 C CA -1.014 57.936 59.018 -0.113 0.000 1.269 451 C CB 0.917 28.651 27.740 -0.011 0.000 1.684 451 C HN 0.736 nan 8.230 nan 0.000 0.510 452 P HA 0.377 nan 4.420 nan 0.000 0.263 452 P C -0.551 176.655 177.300 -0.156 0.000 1.195 452 P CA 0.697 63.434 63.100 -0.605 0.000 0.762 452 P CB 0.988 32.206 31.700 -0.803 0.000 0.799 453 A N 2.670 125.455 122.820 -0.059 0.000 2.427 453 A HA 0.394 4.714 4.320 0.000 0.000 0.298 453 A C -0.972 176.649 177.584 0.061 0.000 1.036 453 A CA -0.560 51.522 52.037 0.074 0.000 0.701 453 A CB 1.246 20.402 19.000 0.260 0.000 1.250 453 A HN 0.455 nan 8.150 nan 0.000 0.412 454 D N 2.221 122.643 120.400 0.036 0.000 2.467 454 D HA 0.127 4.767 4.640 0.000 0.000 0.220 454 D C 0.779 177.188 176.300 0.182 0.000 1.103 454 D CA -0.499 53.556 54.000 0.093 0.000 0.886 454 D CB 0.357 41.165 40.800 0.013 0.000 1.025 454 D HN 0.615 nan 8.370 nan 0.000 0.514 455 W N 4.590 125.902 121.300 0.021 0.000 2.321 455 W HA -0.201 4.459 4.660 0.000 0.000 0.306 455 W C 1.748 178.280 176.519 0.022 0.000 1.217 455 W CA 1.173 58.517 57.345 -0.001 0.000 1.257 455 W CB -0.089 29.351 29.460 -0.033 0.000 1.145 455 W HN 0.467 nan 8.180 nan 0.000 0.509 456 I N -0.845 119.997 120.570 0.452 0.000 2.423 456 I HA -0.303 3.867 4.170 0.000 0.000 0.254 456 I C 1.639 177.836 176.117 0.133 0.000 1.151 456 I CA 1.356 62.858 61.300 0.337 0.000 1.421 456 I CB -0.574 37.650 38.000 0.372 0.000 1.079 456 I HN 0.141 nan 8.210 nan 0.000 0.431 457 W N -0.038 121.213 121.300 -0.082 0.000 2.683 457 W HA 0.158 4.818 4.660 0.000 0.000 0.267 457 W C 2.223 178.600 176.519 -0.237 0.000 1.243 457 W CA 0.089 57.350 57.345 -0.139 0.000 1.380 457 W CB -0.342 29.053 29.460 -0.108 0.000 1.063 457 W HN -0.102 nan 8.180 nan 0.000 0.599 458 L N 0.087 121.239 121.223 -0.117 0.000 2.201 458 L HA -0.042 4.298 4.340 0.000 0.000 0.212 458 L C 0.557 177.198 176.870 -0.382 0.000 1.105 458 L CA 0.466 55.116 54.840 -0.316 0.000 0.775 458 L CB -1.026 40.765 42.059 -0.447 0.000 0.913 458 L HN -0.382 nan 8.230 nan 0.000 0.440 459 V N 1.425 121.028 119.914 -0.518 0.000 2.470 459 V HA 0.137 4.257 4.120 0.000 0.000 0.276 459 V C -1.823 174.071 176.094 -0.334 0.000 1.040 459 V CA -1.360 60.627 62.300 -0.521 0.000 1.008 459 V CB 0.405 31.701 31.823 -0.878 0.000 0.990 459 V HN 0.045 nan 8.190 nan 0.000 0.477 460 P HA 0.079 nan 4.420 nan 0.000 0.269 460 P C -1.898 175.271 177.300 -0.218 0.000 1.211 460 P CA -0.910 62.061 63.100 -0.215 0.000 0.781 460 P CB 0.037 31.655 31.700 -0.136 0.000 0.877 461 P HA -0.004 nan 4.420 nan 0.000 0.249 461 P C -0.358 176.839 177.300 -0.172 0.000 1.241 461 P CA 0.682 63.658 63.100 -0.208 0.000 0.781 461 P CB 0.073 31.636 31.700 -0.230 0.000 1.088 462 V N -6.540 113.267 119.914 -0.178 0.000 3.120 462 V HA 0.499 4.619 4.120 0.000 0.000 0.303 462 V C 0.217 176.287 176.094 -0.040 0.000 1.238 462 V CA -0.996 61.233 62.300 -0.118 0.000 1.008 462 V CB 1.323 33.056 31.823 -0.150 0.000 1.064 462 V HN -0.125 nan 8.190 nan 0.000 0.434 463 S N 1.185 116.889 115.700 0.006 0.000 3.614 463 S HA -0.193 4.277 4.470 0.000 0.000 0.360 463 S C 1.565 176.162 174.600 -0.004 0.000 1.023 463 S CA 1.227 59.454 58.200 0.045 0.000 1.114 463 S CB -1.538 61.775 63.200 0.188 0.000 0.907 463 S HN 2.048 nan 8.310 nan 0.000 0.470 464 G N 2.369 111.136 108.800 -0.055 0.000 2.586 464 G HA2 -0.302 3.659 3.960 0.000 0.000 0.218 464 G HA3 -0.302 3.659 3.960 0.000 0.000 0.218 464 G C 1.504 176.290 174.900 -0.190 0.000 1.216 464 G CA 1.493 46.562 45.100 -0.052 0.000 0.786 464 G HN 1.213 nan 8.290 nan 0.000 0.583 465 S N 0.387 115.683 115.700 -0.673 0.000 2.474 465 S HA 0.033 4.503 4.470 0.000 0.000 0.235 465 S C 2.055 176.590 174.600 -0.108 0.000 0.997 465 S CA 0.712 58.347 58.200 -0.942 0.000 0.949 465 S CB -0.125 62.380 63.200 -1.158 0.000 0.766 465 S HN 0.204 nan 8.310 nan 0.000 0.517 466 I N 1.889 122.431 120.570 -0.046 0.000 3.176 466 I HA 0.078 4.248 4.170 0.000 0.000 0.275 466 I C 0.782 176.985 176.117 0.143 0.000 1.298 466 I CA 0.580 61.922 61.300 0.070 0.000 1.445 466 I CB -1.938 36.126 38.000 0.107 0.000 1.075 466 I HN 0.268 nan 8.210 nan 0.000 0.482 467 T N 2.053 116.690 114.554 0.139 0.000 2.902 467 T HA 0.265 4.615 4.350 0.000 0.000 0.283 467 T C -1.517 173.345 174.700 0.269 0.000 1.009 467 T CA -1.099 61.097 62.100 0.161 0.000 1.051 467 T CB 2.485 71.398 68.868 0.075 0.000 0.999 467 T HN -0.100 nan 8.240 nan 0.000 0.474 468 P HA -0.079 nan 4.420 nan 0.000 0.217 468 P C 1.706 179.202 177.300 0.326 0.000 1.151 468 P CA 0.594 63.862 63.100 0.279 0.000 0.828 468 P CB -0.125 31.681 31.700 0.177 0.000 0.788 469 V N -2.778 117.277 119.914 0.235 0.000 2.720 469 V HA -0.218 3.902 4.120 0.000 0.000 0.256 469 V C 2.011 178.215 176.094 0.183 0.000 1.082 469 V CA 1.430 63.846 62.300 0.194 0.000 1.101 469 V CB -1.922 29.942 31.823 0.069 0.000 0.693 469 V HN -0.048 nan 8.190 nan 0.000 0.479 470 F N 2.368 122.323 119.950 0.008 0.000 2.216 470 F HA -0.063 4.464 4.527 0.000 0.000 0.300 470 F C 1.976 177.904 175.800 0.214 0.000 1.085 470 F CA 2.227 60.252 58.000 0.041 0.000 1.326 470 F CB -0.372 38.535 39.000 -0.155 0.000 1.027 470 F HN 0.382 nan 8.300 nan 0.000 0.497 471 H N -1.461 117.933 119.070 0.541 0.000 2.539 471 H HA 0.182 4.738 4.556 0.000 0.000 0.269 471 H C 0.241 175.708 175.328 0.232 0.000 0.980 471 H CA 0.113 56.381 56.048 0.367 0.000 1.152 471 H CB -0.111 29.835 29.762 0.306 0.000 1.407 471 H HN 0.141 nan 8.280 nan 0.000 0.564 472 Q N 1.991 122.000 119.800 0.349 0.000 2.303 472 Q HA 0.143 4.483 4.340 0.000 0.000 0.257 472 Q C -0.702 175.434 176.000 0.226 0.000 0.941 472 Q CA -0.392 55.560 55.803 0.249 0.000 0.931 472 Q CB 0.630 29.517 28.738 0.248 0.000 1.215 472 Q HN 0.343 nan 8.270 nan 0.000 0.437 473 E N 3.947 124.206 120.200 0.099 0.000 2.338 473 E HA 0.304 4.654 4.350 0.000 0.000 0.272 473 E C -0.540 176.116 176.600 0.093 0.000 1.029 473 E CA 0.121 56.540 56.400 0.031 0.000 0.872 473 E CB 0.872 30.562 29.700 -0.015 0.000 1.015 473 E HN 0.604 nan 8.360 nan 0.000 0.417 474 M N 2.272 121.940 119.600 0.114 0.000 2.572 474 M HA 0.378 4.858 4.480 0.000 0.000 0.299 474 M C -1.292 175.097 176.300 0.148 0.000 1.205 474 M CA -1.134 54.272 55.300 0.177 0.000 0.876 474 M CB 1.523 34.282 32.600 0.265 0.000 1.728 474 M HN 0.156 nan 8.290 nan 0.000 0.458 475 L N 2.249 123.596 121.223 0.206 0.000 2.322 475 L HA 0.489 4.830 4.340 0.000 0.000 0.281 475 L C -0.636 176.339 176.870 0.174 0.000 1.014 475 L CA -0.192 54.791 54.840 0.238 0.000 0.815 475 L CB 1.310 43.593 42.059 0.373 0.000 1.247 475 L HN 0.641 nan 8.230 nan 0.000 0.421 476 N N 3.189 121.967 118.700 0.129 0.000 2.564 476 N HA 0.459 5.199 4.740 0.000 0.000 0.248 476 N C -1.554 173.963 175.510 0.011 0.000 0.986 476 N CA -0.351 52.681 53.050 -0.030 0.000 0.921 476 N CB 0.427 38.914 38.487 -0.001 0.000 1.136 476 N HN 0.368 nan 8.380 nan 0.000 0.509 477 Y N 0.150 120.428 120.300 -0.037 0.000 2.576 477 Y HA 0.700 5.250 4.550 0.000 0.000 0.346 477 Y C -0.740 175.076 175.900 -0.141 0.000 1.018 477 Y CA -1.505 56.543 58.100 -0.087 0.000 1.050 477 Y CB 0.689 39.103 38.460 -0.077 0.000 1.280 477 Y HN -0.051 nan 8.280 nan 0.000 0.474 478 V N 4.342 124.175 119.914 -0.135 0.000 2.385 478 V HA 0.294 4.414 4.120 0.000 0.000 0.269 478 V C 0.256 176.198 176.094 -0.253 0.000 1.043 478 V CA -0.380 61.633 62.300 -0.478 0.000 0.906 478 V CB 0.289 31.642 31.823 -0.782 0.000 0.995 478 V HN 0.753 nan 8.190 nan 0.000 0.467 479 L N 3.090 124.217 121.223 -0.160 0.000 2.805 479 L HA 0.735 5.075 4.340 0.000 0.000 0.242 479 L C 0.351 177.208 176.870 -0.022 0.000 1.180 479 L CA -0.418 54.413 54.840 -0.014 0.000 1.001 479 L CB 1.451 43.543 42.059 0.055 0.000 1.864 479 L HN 0.636 nan 8.230 nan 0.000 0.551 480 S N -0.295 115.427 115.700 0.036 0.000 2.543 480 S HA 0.489 4.959 4.470 0.000 0.000 0.273 480 S C -2.771 171.864 174.600 0.059 0.000 1.152 480 S CA -1.085 57.152 58.200 0.061 0.000 0.910 480 S CB 1.847 65.073 63.200 0.043 0.000 1.105 480 S HN 0.267 nan 8.310 nan 0.000 0.465 481 P HA 0.369 nan 4.420 nan 0.000 0.271 481 P C -1.061 176.240 177.300 0.003 0.000 1.244 481 P CA -0.146 62.944 63.100 -0.017 0.000 0.793 481 P CB 0.217 31.844 31.700 -0.122 0.000 0.984 482 F N -0.205 119.607 119.950 -0.231 0.000 2.641 482 F HA 0.391 4.918 4.527 0.000 0.000 0.308 482 F C -1.469 174.138 175.800 -0.321 0.000 1.105 482 F CA -0.892 56.908 58.000 -0.333 0.000 0.964 482 F CB 1.326 40.109 39.000 -0.360 0.000 1.294 482 F HN 0.110 nan 8.300 nan 0.000 0.442 483 Y N 4.678 124.550 120.300 -0.713 0.000 2.404 483 Y HA 0.425 4.975 4.550 0.000 0.000 0.344 483 Y C -0.821 174.805 175.900 -0.457 0.000 0.970 483 Y CA -0.614 57.267 58.100 -0.366 0.000 1.180 483 Y CB 0.243 38.488 38.460 -0.358 0.000 1.138 483 Y HN 0.388 nan 8.280 nan 0.000 0.510 484 Y N 1.235 121.612 120.300 0.128 0.000 2.519 484 Y HA 0.399 4.949 4.550 0.000 0.000 0.324 484 Y C -0.312 175.661 175.900 0.121 0.000 1.214 484 Y CA -1.013 57.167 58.100 0.134 0.000 1.260 484 Y CB 0.736 39.309 38.460 0.189 0.000 1.311 484 Y HN 0.372 nan 8.280 nan 0.000 0.505 485 Y N 0.589 121.039 120.300 0.250 0.000 2.374 485 Y HA 0.409 4.959 4.550 0.000 0.000 0.322 485 Y C -0.066 175.892 175.900 0.097 0.000 1.275 485 Y CA -1.533 56.630 58.100 0.104 0.000 1.307 485 Y CB 0.968 39.461 38.460 0.055 0.000 1.282 485 Y HN 0.455 nan 8.280 nan 0.000 0.509 486 Q N 0.084 119.987 119.800 0.172 0.000 2.501 486 Q HA 0.558 4.898 4.340 0.000 0.000 0.288 486 Q C -1.624 174.331 176.000 -0.075 0.000 1.051 486 Q CA -1.223 54.605 55.803 0.041 0.000 0.788 486 Q CB 2.107 30.847 28.738 0.004 0.000 1.469 486 Q HN 0.399 nan 8.270 nan 0.000 0.416 487 I N 1.798 122.298 120.570 -0.116 0.000 2.710 487 I HA -0.060 4.110 4.170 0.000 0.000 0.286 487 I C 0.318 176.198 176.117 -0.395 0.000 1.181 487 I CA 0.536 61.714 61.300 -0.203 0.000 1.430 487 I CB 0.258 38.156 38.000 -0.170 0.000 1.367 487 I HN 0.524 nan 8.210 nan 0.000 0.577 488 E N 8.838 128.702 120.200 -0.559 0.000 2.498 488 E HA -0.060 4.290 4.350 0.000 0.000 0.252 488 E C -1.365 174.502 176.600 -1.221 0.000 1.025 488 E CA -0.825 54.900 56.400 -1.125 0.000 0.938 488 E CB 0.137 28.962 29.700 -1.458 0.000 0.947 488 E HN 0.444 nan 8.360 nan 0.000 0.478 489 P HA -0.230 nan 4.420 nan 0.000 0.215 489 P C 1.024 177.760 177.300 -0.940 0.000 1.163 489 P CA 1.704 64.143 63.100 -1.102 0.000 0.894 489 P CB -0.296 30.396 31.700 -1.679 0.000 0.791 490 W N 0.881 121.652 121.300 -0.881 0.000 2.504 490 W HA -0.018 4.642 4.660 0.000 0.000 0.257 490 W C 1.656 178.190 176.519 0.025 0.000 1.225 490 W CA 0.733 57.936 57.345 -0.238 0.000 1.205 490 W CB -1.604 27.887 29.460 0.051 0.000 1.137 490 W HN 0.004 nan 8.180 nan 0.000 0.612 491 K N -0.063 120.201 120.400 -0.227 0.000 2.276 491 K HA 0.051 4.371 4.320 0.000 0.000 0.198 491 K C 1.187 177.777 176.600 -0.016 0.000 1.052 491 K CA 1.407 57.666 56.287 -0.047 0.000 0.984 491 K CB 0.001 32.400 32.500 -0.169 0.000 0.836 491 K HN 0.178 nan 8.250 nan 0.000 0.490 492 T N -1.534 112.966 114.554 -0.090 0.000 3.374 492 T HA 0.170 4.520 4.350 0.000 0.000 0.267 492 T C -0.856 173.848 174.700 0.007 0.000 0.996 492 T CA -0.685 61.391 62.100 -0.040 0.000 0.977 492 T CB -0.249 68.570 68.868 -0.083 0.000 1.149 492 T HN 0.061 nan 8.240 nan 0.000 0.517 493 H N 0.693 119.735 119.070 -0.046 0.000 2.547 493 H HA 0.672 5.228 4.556 0.000 0.000 0.342 493 H C -1.260 174.055 175.328 -0.023 0.000 1.048 493 H CA -1.227 54.778 56.048 -0.072 0.000 1.204 493 H CB 1.234 30.936 29.762 -0.099 0.000 1.493 493 H HN 0.313 nan 8.280 nan 0.000 0.511 494 I N 6.307 126.517 120.570 -0.600 0.000 2.321 494 I HA 0.266 4.436 4.170 0.000 0.000 0.291 494 I C -1.039 174.755 176.117 -0.539 0.000 0.998 494 I CA -0.509 60.595 61.300 -0.326 0.000 1.227 494 I CB -0.144 37.768 38.000 -0.147 0.000 1.368 494 I HN 0.588 nan 8.210 nan 0.000 0.466 495 W N 0.000 121.161 121.300 -0.231 0.000 2.388 495 W HA 0.000 4.660 4.660 0.000 0.000 0.303 495 W CA 0.000 57.304 57.345 -0.069 0.000 1.226 495 W CB 0.000 29.502 29.460 0.069 0.000 1.126 495 W HN 0.000 nan 8.180 nan 0.000 0.535