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 3e6l_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSXXXXXX XSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.134 176.000 0.223 0.000 1.003 77 Q CA 0.000 55.791 55.803 -0.020 0.000 1.022 77 Q CB 0.000 28.721 28.738 -0.027 0.000 1.108 78 Y N -2.325 118.105 120.300 0.217 0.000 2.689 78 Y HA 0.906 5.456 4.550 0.000 0.000 0.333 78 Y C -0.921 175.072 175.900 0.154 0.000 1.190 78 Y CA -2.364 55.896 58.100 0.268 0.000 1.063 78 Y CB 0.792 39.357 38.460 0.175 0.000 1.294 78 Y HN 0.274 nan 8.280 nan 0.000 0.466 79 V N 2.171 122.384 119.914 0.498 0.000 2.495 79 V HA 0.534 4.654 4.120 0.000 0.000 0.298 79 V C -0.295 176.039 176.094 0.400 0.000 1.031 79 V CA -0.975 61.484 62.300 0.265 0.000 0.871 79 V CB 1.544 33.301 31.823 -0.110 0.000 0.988 79 V HN 0.779 nan 8.190 nan 0.000 0.432 80 R N 4.158 124.876 120.500 0.363 0.000 2.267 80 R HA 0.463 4.803 4.340 0.000 0.000 0.319 80 R C -1.039 175.309 176.300 0.079 0.000 1.067 80 R CA -0.336 55.924 56.100 0.267 0.000 0.936 80 R CB 0.399 30.878 30.300 0.298 0.000 1.006 80 R HN 0.510 nan 8.270 nan 0.000 0.452 81 I N 4.356 124.909 120.570 -0.029 0.000 2.404 81 I HA 0.303 4.473 4.170 0.000 0.000 0.293 81 I C -0.187 175.842 176.117 -0.146 0.000 0.992 81 I CA -0.541 60.721 61.300 -0.063 0.000 1.149 81 I CB 1.662 39.608 38.000 -0.091 0.000 1.315 81 I HN 0.602 nan 8.210 nan 0.000 0.446 82 K N 5.261 125.590 120.400 -0.118 0.000 2.259 82 K HA 0.347 4.667 4.320 0.000 0.000 0.252 82 K C -0.493 175.991 176.600 -0.193 0.000 0.936 82 K CA -0.613 55.518 56.287 -0.261 0.000 0.810 82 K CB 1.541 33.743 32.500 -0.497 0.000 1.143 82 K HN 0.505 nan 8.250 nan 0.000 0.427 83 N N 4.137 122.709 118.700 -0.213 0.000 2.501 83 N HA 0.097 4.837 4.740 0.000 0.000 0.245 83 N C -0.315 175.157 175.510 -0.062 0.000 0.974 83 N CA -0.369 52.669 53.050 -0.020 0.000 0.941 83 N CB 0.426 38.909 38.487 -0.007 0.000 1.122 83 N HN 0.647 nan 8.380 nan 0.000 0.507 84 W N 2.408 123.772 121.300 0.108 0.000 2.825 84 W HA 0.197 4.857 4.660 0.000 0.000 0.243 84 W C 2.029 178.589 176.519 0.068 0.000 1.293 84 W CA 0.182 57.585 57.345 0.097 0.000 1.403 84 W CB 0.074 29.616 29.460 0.136 0.000 1.134 84 W HN 0.644 nan 8.180 nan 0.000 0.666 85 G N -0.209 108.734 108.800 0.238 0.000 2.395 85 G HA2 -0.178 3.783 3.960 0.000 0.000 0.214 85 G HA3 -0.178 3.783 3.960 0.000 0.000 0.214 85 G C 1.451 176.368 174.900 0.028 0.000 1.177 85 G CA 1.242 46.375 45.100 0.056 0.000 0.794 85 G HN 0.262 nan 8.290 nan 0.000 0.532 86 S N -0.984 114.730 115.700 0.022 0.000 2.539 86 S HA 0.406 4.876 4.470 0.000 0.000 0.221 86 S C 1.856 176.424 174.600 -0.053 0.000 0.987 86 S CA 0.930 59.120 58.200 -0.015 0.000 0.929 86 S CB 0.408 63.598 63.200 -0.016 0.000 0.832 86 S HN 1.441 nan 8.310 nan 0.000 0.492 87 G N 1.753 110.501 108.800 -0.087 0.000 2.270 87 G HA2 -0.398 3.562 3.960 0.000 0.000 0.268 87 G HA3 -0.398 3.562 3.960 0.000 0.000 0.268 87 G C -0.022 174.765 174.900 -0.190 0.000 0.982 87 G CA 0.672 45.674 45.100 -0.164 0.000 0.628 87 G HN 0.815 nan 8.290 nan 0.000 0.544 88 E N 0.618 120.729 120.200 -0.148 0.000 2.437 88 E HA 0.324 4.674 4.350 0.000 0.000 0.263 88 E C 0.244 176.714 176.600 -0.218 0.000 1.030 88 E CA -0.191 56.114 56.400 -0.159 0.000 0.934 88 E CB 0.156 29.780 29.700 -0.127 0.000 0.943 88 E HN 0.230 nan 8.360 nan 0.000 0.444 89 I N 4.366 124.792 120.570 -0.240 0.000 2.740 89 I HA 0.419 4.589 4.170 0.000 0.000 0.303 89 I C -0.108 175.760 176.117 -0.415 0.000 1.044 89 I CA -0.745 60.370 61.300 -0.308 0.000 1.064 89 I CB 1.327 39.157 38.000 -0.283 0.000 1.249 89 I HN 0.600 nan 8.210 nan 0.000 0.433 90 L N 3.942 124.865 121.223 -0.501 0.000 2.376 90 L HA 0.488 4.828 4.340 0.000 0.000 0.258 90 L C -1.052 175.472 176.870 -0.578 0.000 1.013 90 L CA -0.838 53.654 54.840 -0.579 0.000 0.822 90 L CB 2.624 44.262 42.059 -0.702 0.000 1.388 90 L HN 0.448 nan 8.230 nan 0.000 0.413 91 H N 0.926 119.907 119.070 -0.148 0.000 2.708 91 H HA 0.225 4.781 4.556 0.000 0.000 0.320 91 H C -1.260 174.165 175.328 0.162 0.000 0.991 91 H CA -0.668 55.253 56.048 -0.212 0.000 1.243 91 H CB 1.966 31.233 29.762 -0.825 0.000 1.446 91 H HN 0.464 nan 8.280 nan 0.000 0.502 92 D N 2.597 123.249 120.400 0.420 0.000 2.339 92 D HA 0.036 4.676 4.640 0.000 0.000 0.241 92 D C 0.864 177.425 176.300 0.435 0.000 1.183 92 D CA -0.012 54.250 54.000 0.437 0.000 0.859 92 D CB 1.146 42.181 40.800 0.391 0.000 1.067 92 D HN 0.634 nan 8.370 nan 0.000 0.484 93 T N 1.117 115.865 114.554 0.322 0.000 2.990 93 T HA -0.051 4.299 4.350 0.000 0.000 0.249 93 T C 1.887 176.675 174.700 0.147 0.000 1.039 93 T CA -0.252 62.047 62.100 0.331 0.000 1.036 93 T CB 0.061 69.067 68.868 0.230 0.000 0.994 93 T HN 0.251 nan 8.240 nan 0.000 0.489 94 L N 3.285 124.544 121.223 0.059 0.000 2.127 94 L HA -0.112 4.228 4.340 0.000 0.000 0.211 94 L C 2.591 179.330 176.870 -0.218 0.000 1.089 94 L CA 1.944 56.769 54.840 -0.026 0.000 0.757 94 L CB -0.980 41.092 42.059 0.021 0.000 0.899 94 L HN 0.585 nan 8.230 nan 0.000 0.434 95 H N -2.335 116.375 119.070 -0.601 0.000 2.518 95 H HA -0.222 4.334 4.556 0.000 0.000 0.294 95 H C 1.662 176.635 175.328 -0.590 0.000 1.083 95 H CA 1.926 57.237 56.048 -1.228 0.000 1.264 95 H CB -1.107 27.950 29.762 -1.175 0.000 1.370 95 H HN 0.567 nan 8.280 nan 0.000 0.560 96 H N 0.996 119.549 119.070 -0.862 0.000 2.521 96 H HA 0.032 4.588 4.556 0.000 0.000 0.286 96 H C 1.462 176.632 175.328 -0.263 0.000 1.034 96 H CA 1.052 56.767 56.048 -0.555 0.000 1.278 96 H CB 0.408 29.908 29.762 -0.436 0.000 1.386 96 H HN 0.266 nan 8.280 nan 0.000 0.567 97 K N 0.457 120.799 120.400 -0.096 0.000 2.417 97 K HA 0.268 4.588 4.320 0.000 0.000 0.196 97 K C 0.723 177.324 176.600 0.002 0.000 1.023 97 K CA 0.098 56.376 56.287 -0.016 0.000 1.122 97 K CB 0.578 33.088 32.500 0.017 0.000 0.850 97 K HN 0.151 nan 8.250 nan 0.000 0.521 98 A N 2.047 124.843 122.820 -0.040 0.000 2.292 98 A HA 0.418 4.738 4.320 0.000 0.000 0.265 98 A C 0.276 177.864 177.584 0.007 0.000 1.133 98 A CA 0.694 52.741 52.037 0.017 0.000 0.807 98 A CB 0.021 19.026 19.000 0.009 0.000 1.102 98 A HN 0.477 nan 8.150 nan 0.000 0.502 99 T N -2.713 111.841 114.554 0.000 0.000 2.846 99 T HA 0.039 4.390 4.350 0.000 0.000 0.441 99 T C -0.192 174.484 174.700 -0.040 0.000 1.105 99 T CA -0.187 61.908 62.100 -0.008 0.000 1.340 99 T CB -1.945 66.934 68.868 0.018 0.000 1.558 99 T HN 1.424 nan 8.240 nan 0.000 0.422 109 C N 2.279 121.590 119.300 0.019 0.000 2.255 109 C HA 0.711 5.171 4.460 0.000 0.000 0.326 109 C C 0.218 175.226 174.990 0.030 0.000 1.258 109 C CA -0.695 58.337 59.018 0.023 0.000 1.676 109 C CB -1.581 26.169 27.740 0.017 0.000 2.314 109 C HN 0.649 nan 8.230 nan 0.000 0.509 110 L N 7.991 129.237 121.223 0.038 0.000 2.983 110 L HA 0.186 4.526 4.340 0.000 0.000 0.244 110 L C 1.841 178.745 176.870 0.058 0.000 1.465 110 L CA 1.085 55.954 54.840 0.048 0.000 1.147 110 L CB -1.373 40.718 42.059 0.053 0.000 1.442 110 L HN 1.045 nan 8.230 nan 0.000 0.452 111 G N 0.864 109.694 108.800 0.051 0.000 2.976 111 G HA2 -0.318 3.642 3.960 0.000 0.000 0.211 111 G HA3 -0.318 3.642 3.960 0.000 0.000 0.211 111 G C 0.926 175.880 174.900 0.089 0.000 1.319 111 G CA 0.861 45.995 45.100 0.057 0.000 0.773 111 G HN 0.592 nan 8.290 nan 0.000 0.769 112 S N 0.360 116.118 115.700 0.097 0.000 2.979 112 S HA 0.530 5.000 4.470 0.000 0.000 0.210 112 S C 0.074 174.758 174.600 0.139 0.000 1.364 112 S CA -0.839 57.444 58.200 0.138 0.000 1.208 112 S CB 0.131 63.409 63.200 0.130 0.000 1.167 112 S HN 0.204 nan 8.310 nan 0.000 0.519 113 I N 2.101 122.747 120.570 0.127 0.000 2.428 113 I HA 0.246 4.416 4.170 0.000 0.000 0.289 113 I C 1.510 177.720 176.117 0.156 0.000 1.019 113 I CA -0.292 61.077 61.300 0.116 0.000 1.351 113 I CB 0.649 38.702 38.000 0.089 0.000 1.412 113 I HN 0.456 nan 8.210 nan 0.000 0.513 114 M N 4.221 123.913 119.600 0.154 0.000 2.193 114 M HA -0.031 4.449 4.480 0.000 0.000 0.265 114 M C 0.215 176.571 176.300 0.092 0.000 1.071 114 M CA 1.360 56.780 55.300 0.200 0.000 1.140 114 M CB 0.035 32.747 32.600 0.185 0.000 1.369 114 M HN 0.496 nan 8.290 nan 0.000 0.423 115 N N 1.259 119.969 118.700 0.016 0.000 2.886 115 N HA 0.309 5.049 4.740 0.000 0.000 0.285 115 N C -2.517 173.036 175.510 0.072 0.000 1.706 115 N CA -0.793 52.239 53.050 -0.030 0.000 0.904 115 N CB 0.515 38.890 38.487 -0.185 0.000 1.224 115 N HN 0.217 nan 8.380 nan 0.000 0.488 116 P HA 0.182 nan 4.420 nan 0.000 0.274 116 P C 0.550 177.923 177.300 0.122 0.000 1.237 116 P CA -0.297 62.865 63.100 0.102 0.000 0.793 116 P CB 1.924 33.683 31.700 0.098 0.000 0.977 117 K N 0.456 120.909 120.400 0.090 0.000 2.280 117 K HA -0.091 4.229 4.320 0.000 0.000 0.202 117 K C 2.056 178.723 176.600 0.112 0.000 1.047 117 K CA 1.738 58.078 56.287 0.089 0.000 0.942 117 K CB -0.321 32.212 32.500 0.054 0.000 0.739 117 K HN 0.527 nan 8.250 nan 0.000 0.457 118 S N 0.991 116.755 115.700 0.107 0.000 2.419 118 S HA -0.088 4.382 4.470 0.000 0.000 0.233 118 S C 1.575 176.282 174.600 0.178 0.000 1.016 118 S CA 0.837 59.101 58.200 0.107 0.000 0.974 118 S CB -0.257 62.982 63.200 0.065 0.000 0.786 118 S HN 0.230 nan 8.310 nan 0.000 0.492 119 L N 1.547 122.902 121.223 0.221 0.000 2.741 119 L HA 0.309 4.649 4.340 0.000 0.000 0.237 119 L C -0.233 176.922 176.870 0.475 0.000 1.178 119 L CA -0.129 54.881 54.840 0.284 0.000 0.973 119 L CB -0.110 42.063 42.059 0.189 0.000 1.255 119 L HN 0.183 nan 8.230 nan 0.000 0.498 120 T N -0.411 114.393 114.554 0.416 0.000 2.863 120 T HA 0.492 4.842 4.350 0.000 0.000 0.285 120 T C -0.535 174.222 174.700 0.095 0.000 1.009 120 T CA -0.551 61.737 62.100 0.314 0.000 0.989 120 T CB 2.529 71.515 68.868 0.197 0.000 1.004 120 T HN -0.085 nan 8.240 nan 0.000 0.455 121 R N 1.689 122.184 120.500 -0.008 0.000 2.407 121 R HA 0.583 4.923 4.340 0.000 0.000 0.298 121 R C 0.398 176.651 176.300 -0.079 0.000 1.166 121 R CA -0.449 55.520 56.100 -0.219 0.000 1.006 121 R CB 0.200 30.210 30.300 -0.483 0.000 1.145 121 R HN 0.862 nan 8.270 nan 0.000 0.538 122 G N 3.236 111.998 108.800 -0.063 0.000 2.570 122 G HA2 0.322 4.282 3.960 0.000 0.000 0.276 122 G HA3 0.322 4.282 3.960 0.000 0.000 0.276 122 G C -1.961 172.910 174.900 -0.049 0.000 1.346 122 G CA -0.857 44.215 45.100 -0.047 0.000 1.034 122 G HN 0.559 nan 8.290 nan 0.000 0.512 123 P HA 0.330 nan 4.420 nan 0.000 0.275 123 P C -0.718 176.566 177.300 -0.027 0.000 1.266 123 P CA -0.245 62.834 63.100 -0.034 0.000 0.793 123 P CB 1.102 32.779 31.700 -0.038 0.000 1.074 124 R N -0.229 120.260 120.500 -0.018 0.000 2.771 124 R HA 0.278 4.618 4.340 0.000 0.000 0.274 124 R C -0.141 176.156 176.300 -0.005 0.000 0.987 124 R CA -0.497 55.596 56.100 -0.011 0.000 0.908 124 R CB 1.420 31.715 30.300 -0.007 0.000 1.213 124 R HN 0.443 nan 8.270 nan 0.000 0.468 125 D N -0.194 120.204 120.400 -0.002 0.000 2.500 125 D HA 0.165 4.805 4.640 0.000 0.000 0.217 125 D C -0.373 175.934 176.300 0.012 0.000 1.159 125 D CA -0.059 53.941 54.000 -0.000 0.000 0.828 125 D CB 0.573 41.369 40.800 -0.006 0.000 1.039 125 D HN 0.018 nan 8.370 nan 0.000 0.512 126 K N 0.244 120.652 120.400 0.013 0.000 2.508 126 K HA 0.587 4.907 4.320 0.000 0.000 0.260 126 K C -2.778 173.833 176.600 0.018 0.000 0.949 126 K CA -2.023 54.275 56.287 0.018 0.000 0.834 126 K CB 2.077 34.585 32.500 0.013 0.000 1.365 126 K HN -0.214 nan 8.250 nan 0.000 0.437 127 P HA 0.056 nan 4.420 nan 0.000 0.270 127 P C -0.722 176.590 177.300 0.020 0.000 1.227 127 P CA -0.216 62.897 63.100 0.021 0.000 0.788 127 P CB 0.370 32.085 31.700 0.024 0.000 0.926 128 T N 3.073 117.641 114.554 0.024 0.000 2.834 128 T HA 0.178 4.528 4.350 0.000 0.000 0.298 128 T C -2.133 172.586 174.700 0.033 0.000 0.966 128 T CA -0.781 61.338 62.100 0.031 0.000 1.141 128 T CB -0.530 68.367 68.868 0.048 0.000 0.905 128 T HN 0.277 nan 8.240 nan 0.000 0.535 129 P HA -0.031 nan 4.420 nan 0.000 0.258 129 P C 1.231 178.536 177.300 0.010 0.000 1.172 129 P CA -0.247 62.861 63.100 0.013 0.000 0.762 129 P CB 0.353 32.056 31.700 0.005 0.000 0.764 130 L N 5.681 126.908 121.223 0.007 0.000 2.051 130 L HA -0.234 4.106 4.340 0.000 0.000 0.214 130 L C 1.731 178.587 176.870 -0.023 0.000 1.076 130 L CA 2.470 57.309 54.840 -0.001 0.000 0.758 130 L CB -0.918 41.139 42.059 -0.003 0.000 0.890 130 L HN 0.496 nan 8.230 nan 0.000 0.433 131 E N -0.654 119.530 120.200 -0.027 0.000 2.110 131 E HA -0.291 4.060 4.350 0.000 0.000 0.193 131 E C 1.974 178.527 176.600 -0.080 0.000 0.988 131 E CA 1.553 57.925 56.400 -0.046 0.000 0.804 131 E CB -0.404 29.275 29.700 -0.035 0.000 0.745 131 E HN 0.715 nan 8.360 nan 0.000 0.458 132 E N 0.405 120.565 120.200 -0.067 0.000 2.042 132 E HA -0.121 4.229 4.350 0.000 0.000 0.189 132 E C 2.150 178.663 176.600 -0.145 0.000 0.974 132 E CA 0.415 56.748 56.400 -0.111 0.000 0.806 132 E CB 0.013 29.706 29.700 -0.013 0.000 0.769 132 E HN 0.248 nan 8.360 nan 0.000 0.451 133 L N 1.372 122.594 121.223 -0.000 0.000 2.012 133 L HA -0.166 4.174 4.340 0.000 0.000 0.210 133 L C 2.316 179.203 176.870 0.029 0.000 1.073 133 L CA 1.477 56.368 54.840 0.086 0.000 0.748 133 L CB -0.886 41.233 42.059 0.100 0.000 0.891 133 L HN 0.279 nan 8.230 nan 0.000 0.431 134 L N 0.218 121.417 121.223 -0.040 0.000 2.013 134 L HA -0.117 4.223 4.340 0.000 0.000 0.212 134 L C -0.463 176.365 176.870 -0.070 0.000 1.073 134 L CA 2.194 56.991 54.840 -0.071 0.000 0.753 134 L CB -1.885 40.132 42.059 -0.069 0.000 0.890 134 L HN 0.210 nan 8.230 nan 0.000 0.432 135 P HA -0.120 nan 4.420 nan 0.000 0.220 135 P C 1.162 178.462 177.300 -0.001 0.000 1.148 135 P CA 1.364 64.407 63.100 -0.096 0.000 0.803 135 P CB -0.159 31.438 31.700 -0.171 0.000 0.782 136 H N -0.483 118.621 119.070 0.057 0.000 2.333 136 H HA 0.079 4.635 4.556 0.000 0.000 0.302 136 H C 2.018 177.440 175.328 0.157 0.000 1.075 136 H CA 1.435 57.546 56.048 0.104 0.000 1.348 136 H CB -1.060 28.765 29.762 0.106 0.000 1.393 136 H HN 0.031 nan 8.280 nan 0.000 0.509 137 A N 1.309 124.272 122.820 0.237 0.000 1.883 137 A HA -0.149 4.171 4.320 0.000 0.000 0.217 137 A C 2.673 180.356 177.584 0.164 0.000 1.186 137 A CA 1.619 53.754 52.037 0.163 0.000 0.624 137 A CB -0.933 17.888 19.000 -0.298 0.000 0.822 137 A HN 0.314 nan 8.150 nan 0.000 0.444 138 I N -0.705 119.911 120.570 0.077 0.000 2.208 138 I HA -0.241 3.929 4.170 0.000 0.000 0.245 138 I C 2.662 178.853 176.117 0.124 0.000 1.097 138 I CA 1.605 62.948 61.300 0.072 0.000 1.363 138 I CB -0.379 37.636 38.000 0.025 0.000 1.051 138 I HN 0.412 nan 8.210 nan 0.000 0.413 139 E N 1.178 121.474 120.200 0.160 0.000 2.051 139 E HA -0.264 4.086 4.350 0.000 0.000 0.192 139 E C 2.167 178.892 176.600 0.208 0.000 0.991 139 E CA 1.625 58.128 56.400 0.171 0.000 0.799 139 E CB -0.270 29.551 29.700 0.201 0.000 0.748 139 E HN 0.389 nan 8.360 nan 0.000 0.449 140 F N 1.881 121.923 119.950 0.154 0.000 2.069 140 F HA -0.238 4.289 4.527 0.000 0.000 0.298 140 F C 2.239 178.136 175.800 0.162 0.000 1.113 140 F CA 1.291 59.398 58.000 0.178 0.000 1.214 140 F CB -0.549 38.577 39.000 0.210 0.000 0.978 140 F HN -0.014 nan 8.300 nan 0.000 0.474 141 I N 0.953 121.462 120.570 -0.102 0.000 2.194 141 I HA -0.352 3.818 4.170 0.000 0.000 0.246 141 I C 2.191 178.253 176.117 -0.093 0.000 1.093 141 I CA 1.461 62.687 61.300 -0.123 0.000 1.355 141 I CB -1.633 36.444 38.000 0.128 0.000 1.046 141 I HN 0.300 nan 8.210 nan 0.000 0.413 142 N N 0.697 119.403 118.700 0.011 0.000 2.120 142 N HA -0.247 4.493 4.740 0.000 0.000 0.188 142 N C 1.882 177.298 175.510 -0.157 0.000 1.024 142 N CA 1.289 54.353 53.050 0.023 0.000 0.852 142 N CB -0.247 38.311 38.487 0.118 0.000 1.003 142 N HN 0.549 nan 8.380 nan 0.000 0.424 143 Q N 0.035 119.760 119.800 -0.126 0.000 2.050 143 Q HA -0.193 4.147 4.340 0.000 0.000 0.202 143 Q C 2.103 177.906 176.000 -0.327 0.000 0.980 143 Q CA 1.274 57.018 55.803 -0.098 0.000 0.840 143 Q CB -0.271 28.528 28.738 0.102 0.000 0.898 143 Q HN 0.469 nan 8.270 nan 0.000 0.424 144 Y N -0.310 119.494 120.300 -0.826 0.000 2.070 144 Y HA -0.316 4.234 4.550 0.000 0.000 0.280 144 Y C 1.640 176.715 175.900 -1.376 0.000 1.148 144 Y CA 2.071 59.327 58.100 -1.408 0.000 1.125 144 Y CB -0.429 37.150 38.460 -1.468 0.000 0.975 144 Y HN 0.192 nan 8.280 nan 0.000 0.492 145 Y N 0.182 119.689 120.300 -1.322 0.000 2.421 145 Y HA -0.051 4.499 4.550 0.000 0.000 0.292 145 Y C 2.528 177.687 175.900 -1.235 0.000 1.136 145 Y CA 1.192 58.270 58.100 -1.703 0.000 1.255 145 Y CB -0.750 36.887 38.460 -1.373 0.000 0.991 145 Y HN 0.287 nan 8.280 nan 0.000 0.552 146 G N -1.390 107.004 108.800 -0.676 0.000 2.650 146 G HA2 -0.165 3.795 3.960 0.000 0.000 0.214 146 G HA3 -0.165 3.795 3.960 0.000 0.000 0.214 146 G C 1.696 176.419 174.900 -0.294 0.000 1.136 146 G CA 0.881 45.769 45.100 -0.354 0.000 0.789 146 G HN 0.463 nan 8.290 nan 0.000 0.536 147 S N -0.029 115.399 115.700 -0.454 0.000 2.446 147 S HA 0.221 4.691 4.470 0.000 0.000 0.225 147 S C 0.895 175.492 174.600 -0.005 0.000 1.016 147 S CA -0.616 57.486 58.200 -0.163 0.000 0.943 147 S CB -0.410 62.752 63.200 -0.063 0.000 0.786 147 S HN 0.232 nan 8.310 nan 0.000 0.508 148 F N 2.633 122.427 119.950 -0.260 0.000 2.607 148 F HA 0.144 4.671 4.527 0.000 0.000 0.374 148 F C 1.834 177.577 175.800 -0.095 0.000 1.104 148 F CA -0.493 57.394 58.000 -0.189 0.000 1.296 148 F CB 0.581 39.458 39.000 -0.206 0.000 1.085 148 F HN 0.148 nan 8.300 nan 0.000 0.584 149 K N 1.529 122.004 120.400 0.124 0.000 2.217 149 K HA -0.084 4.237 4.320 0.000 0.000 0.202 149 K C 0.071 176.708 176.600 0.062 0.000 1.051 149 K CA 1.002 57.329 56.287 0.066 0.000 0.952 149 K CB 0.244 32.764 32.500 0.034 0.000 0.736 149 K HN 0.528 nan 8.250 nan 0.000 0.453 150 E N 1.294 121.538 120.200 0.073 0.000 2.121 150 E HA 0.190 4.540 4.350 0.000 0.000 0.255 150 E C -1.129 175.552 176.600 0.136 0.000 0.906 150 E CA -0.292 56.146 56.400 0.062 0.000 0.745 150 E CB 1.352 31.058 29.700 0.011 0.000 1.155 150 E HN 0.259 nan 8.360 nan 0.000 0.424 151 A N 3.494 126.392 122.820 0.131 0.000 2.546 151 A HA 0.001 4.321 4.320 0.000 0.000 0.243 151 A C 0.396 178.090 177.584 0.184 0.000 1.063 151 A CA 0.357 52.494 52.037 0.167 0.000 0.757 151 A CB 0.144 19.200 19.000 0.094 0.000 0.991 151 A HN 0.393 nan 8.150 nan 0.000 0.503 152 K N 3.868 124.442 120.400 0.290 0.000 2.724 152 K HA 0.207 4.527 4.320 0.000 0.000 0.198 152 K C 0.543 177.241 176.600 0.163 0.000 1.099 152 K CA -0.603 55.825 56.287 0.236 0.000 1.025 152 K CB 0.342 33.042 32.500 0.334 0.000 1.509 152 K HN 0.661 nan 8.250 nan 0.000 0.564 153 I N 1.174 121.803 120.570 0.100 0.000 2.147 153 I HA -0.387 3.783 4.170 0.000 0.000 0.245 153 I C 1.871 177.968 176.117 -0.033 0.000 1.059 153 I CA 1.912 63.236 61.300 0.039 0.000 1.320 153 I CB -0.734 37.270 38.000 0.007 0.000 1.021 153 I HN 0.539 nan 8.210 nan 0.000 0.415 154 E N 0.686 120.876 120.200 -0.015 0.000 2.031 154 E HA -0.235 4.115 4.350 0.000 0.000 0.193 154 E C 2.090 178.652 176.600 -0.063 0.000 0.994 154 E CA 1.452 57.831 56.400 -0.037 0.000 0.800 154 E CB -0.215 29.482 29.700 -0.006 0.000 0.752 154 E HN 0.601 nan 8.360 nan 0.000 0.447 155 E N -0.138 120.045 120.200 -0.029 0.000 2.153 155 E HA -0.214 4.136 4.350 0.000 0.000 0.194 155 E C 2.028 178.409 176.600 -0.364 0.000 0.988 155 E CA 0.884 57.261 56.400 -0.039 0.000 0.811 155 E CB -0.219 29.595 29.700 0.189 0.000 0.746 155 E HN 0.415 nan 8.360 nan 0.000 0.466 156 H N 0.836 119.426 119.070 -0.799 0.000 2.267 156 H HA -0.129 4.427 4.556 0.000 0.000 0.297 156 H C 2.178 177.176 175.328 -0.550 0.000 1.080 156 H CA 1.326 56.642 56.048 -1.220 0.000 1.278 156 H CB 0.056 29.382 29.762 -0.726 0.000 1.365 156 H HN 0.068 nan 8.280 nan 0.000 0.489 157 L N 0.296 121.343 121.223 -0.295 0.000 2.017 157 L HA -0.168 4.172 4.340 0.000 0.000 0.208 157 L C 3.126 179.912 176.870 -0.140 0.000 1.073 157 L CA 0.926 55.620 54.840 -0.242 0.000 0.745 157 L CB -0.705 41.236 42.059 -0.196 0.000 0.894 157 L HN 0.401 nan 8.230 nan 0.000 0.432 158 A N 0.310 123.066 122.820 -0.107 0.000 1.873 158 A HA -0.294 4.026 4.320 0.000 0.000 0.218 158 A C 2.376 179.946 177.584 -0.024 0.000 1.193 158 A CA 2.219 54.227 52.037 -0.049 0.000 0.629 158 A CB -0.577 18.411 19.000 -0.019 0.000 0.826 158 A HN 0.291 nan 8.150 nan 0.000 0.447 159 R N -0.060 120.423 120.500 -0.027 0.000 2.073 159 R HA -0.026 4.314 4.340 0.000 0.000 0.234 159 R C 1.984 178.311 176.300 0.046 0.000 1.134 159 R CA 1.741 57.877 56.100 0.060 0.000 0.952 159 R CB -1.088 29.314 30.300 0.170 0.000 0.850 159 R HN 0.535 nan 8.270 nan 0.000 0.433 160 L N 0.273 121.497 121.223 0.001 0.000 1.990 160 L HA -0.235 4.105 4.340 0.000 0.000 0.213 160 L C 2.583 179.438 176.870 -0.025 0.000 1.072 160 L CA 2.183 57.021 54.840 -0.003 0.000 0.755 160 L CB -0.551 41.475 42.059 -0.055 0.000 0.889 160 L HN 0.419 nan 8.230 nan 0.000 0.432 161 E N -0.240 119.938 120.200 -0.037 0.000 2.038 161 E HA -0.285 4.065 4.350 0.000 0.000 0.195 161 E C 2.180 178.771 176.600 -0.014 0.000 1.000 161 E CA 1.322 57.703 56.400 -0.032 0.000 0.803 161 E CB -0.081 29.598 29.700 -0.035 0.000 0.750 161 E HN 0.479 nan 8.360 nan 0.000 0.448 162 A N 0.483 123.306 122.820 0.005 0.000 1.873 162 A HA -0.217 4.104 4.320 0.000 0.000 0.218 162 A C 2.439 180.038 177.584 0.024 0.000 1.193 162 A CA 2.001 54.053 52.037 0.025 0.000 0.629 162 A CB -0.943 18.087 19.000 0.050 0.000 0.826 162 A HN 0.249 nan 8.150 nan 0.000 0.447 163 V N -0.335 119.589 119.914 0.018 0.000 2.343 163 V HA -0.229 3.891 4.120 0.000 0.000 0.247 163 V C 2.718 178.751 176.094 -0.102 0.000 1.051 163 V CA 2.427 64.706 62.300 -0.036 0.000 1.036 163 V CB -1.444 30.327 31.823 -0.086 0.000 0.654 163 V HN 0.630 nan 8.190 nan 0.000 0.451 164 T N -0.016 114.491 114.554 -0.078 0.000 2.684 164 T HA -0.241 4.109 4.350 0.000 0.000 0.267 164 T C 1.924 176.595 174.700 -0.049 0.000 1.036 164 T CA 1.778 63.833 62.100 -0.075 0.000 1.148 164 T CB -0.242 68.593 68.868 -0.054 0.000 0.863 164 T HN 0.501 nan 8.240 nan 0.000 0.436 165 K N 0.748 121.132 120.400 -0.026 0.000 2.057 165 K HA -0.060 4.260 4.320 0.000 0.000 0.206 165 K C 2.464 179.066 176.600 0.003 0.000 1.050 165 K CA 1.085 57.366 56.287 -0.010 0.000 0.935 165 K CB -0.155 32.344 32.500 -0.002 0.000 0.715 165 K HN 0.424 nan 8.250 nan 0.000 0.439 166 E N 1.252 121.461 120.200 0.016 0.000 2.085 166 E HA -0.209 4.141 4.350 0.000 0.000 0.194 166 E C 1.966 178.594 176.600 0.047 0.000 0.994 166 E CA 1.169 57.597 56.400 0.047 0.000 0.801 166 E CB -0.017 29.738 29.700 0.092 0.000 0.743 166 E HN 0.250 nan 8.360 nan 0.000 0.453 167 I N 0.774 121.351 120.570 0.012 0.000 2.202 167 I HA -0.242 3.928 4.170 0.000 0.000 0.242 167 I C 2.245 178.367 176.117 0.009 0.000 1.091 167 I CA 1.262 62.569 61.300 0.010 0.000 1.368 167 I CB -0.317 37.638 38.000 -0.075 0.000 1.058 167 I HN 0.124 nan 8.210 nan 0.000 0.410 168 E N 0.296 120.491 120.200 -0.008 0.000 2.153 168 E HA -0.204 4.146 4.350 0.000 0.000 0.194 168 E C 2.125 178.728 176.600 0.005 0.000 0.988 168 E CA 1.949 58.346 56.400 -0.005 0.000 0.811 168 E CB -0.102 29.590 29.700 -0.013 0.000 0.746 168 E HN 0.633 nan 8.360 nan 0.000 0.466 169 T N -2.236 112.325 114.554 0.012 0.000 3.031 169 T HA -0.033 4.317 4.350 0.000 0.000 0.254 169 T C 2.124 176.838 174.700 0.023 0.000 1.060 169 T CA 1.114 63.224 62.100 0.016 0.000 1.135 169 T CB -0.064 68.814 68.868 0.016 0.000 0.896 169 T HN 0.177 nan 8.240 nan 0.000 0.472 170 T N -2.414 112.160 114.554 0.034 0.000 3.023 170 T HA 0.501 4.851 4.350 0.000 0.000 0.249 170 T C 2.014 176.738 174.700 0.041 0.000 1.050 170 T CA 0.869 62.992 62.100 0.039 0.000 1.088 170 T CB -0.193 68.707 68.868 0.054 0.000 0.946 170 T HN 0.958 nan 8.240 nan 0.000 0.480 171 G N 0.145 108.973 108.800 0.047 0.000 2.194 171 G HA2 -0.159 3.801 3.960 0.000 0.000 0.236 171 G HA3 -0.159 3.801 3.960 0.000 0.000 0.236 171 G C 0.234 175.180 174.900 0.078 0.000 0.987 171 G CA 0.540 45.669 45.100 0.047 0.000 0.635 171 G HN 0.975 nan 8.290 nan 0.000 0.520 172 T N -1.378 113.243 114.554 0.113 0.000 2.612 172 T HA 0.727 5.077 4.350 0.000 0.000 0.296 172 T C -1.631 173.259 174.700 0.317 0.000 1.148 172 T CA 0.646 62.862 62.100 0.193 0.000 1.077 172 T CB 1.312 70.234 68.868 0.091 0.000 1.591 172 T HN 1.737 nan 8.240 nan 0.000 0.479 173 Y N -0.660 119.652 120.300 0.020 0.000 2.702 173 Y HA 0.732 5.282 4.550 0.000 0.000 0.336 173 Y C -1.845 174.079 175.900 0.041 0.000 1.203 173 Y CA -1.227 56.895 58.100 0.036 0.000 1.072 173 Y CB 0.604 39.097 38.460 0.055 0.000 1.327 173 Y HN 0.462 nan 8.280 nan 0.000 0.456 174 Q N 2.261 122.067 119.800 0.010 0.000 2.309 174 Q HA 0.579 4.920 4.340 0.000 0.000 0.264 174 Q C -0.969 175.019 176.000 -0.020 0.000 1.008 174 Q CA -0.858 54.899 55.803 -0.076 0.000 0.853 174 Q CB 3.016 31.760 28.738 0.010 0.000 1.314 174 Q HN 0.847 nan 8.270 nan 0.000 0.448 175 L N 1.183 122.374 121.223 -0.053 0.000 2.399 175 L HA 0.385 4.726 4.340 0.000 0.000 0.266 175 L C 1.014 177.899 176.870 0.025 0.000 1.114 175 L CA -0.623 54.233 54.840 0.026 0.000 0.804 175 L CB 0.958 43.026 42.059 0.015 0.000 1.146 175 L HN 0.675 nan 8.230 nan 0.000 0.451 176 T N -1.098 113.463 114.554 0.013 0.000 2.868 176 T HA 0.122 4.472 4.350 0.000 0.000 0.292 176 T C 0.944 175.633 174.700 -0.017 0.000 1.028 176 T CA -0.687 61.413 62.100 -0.000 0.000 1.059 176 T CB 1.037 69.897 68.868 -0.013 0.000 0.991 176 T HN 0.488 nan 8.240 nan 0.000 0.531 177 L N 0.933 122.150 121.223 -0.010 0.000 2.079 177 L HA -0.026 4.315 4.340 0.000 0.000 0.210 177 L C 2.076 178.941 176.870 -0.007 0.000 1.081 177 L CA 2.139 56.967 54.840 -0.021 0.000 0.752 177 L CB -1.185 40.862 42.059 -0.020 0.000 0.896 177 L HN 0.945 nan 8.230 nan 0.000 0.433 178 D N -0.967 119.439 120.400 0.011 0.000 2.178 178 D HA -0.182 4.458 4.640 0.000 0.000 0.202 178 D C 2.007 178.354 176.300 0.080 0.000 0.974 178 D CA 1.198 55.240 54.000 0.070 0.000 0.841 178 D CB 0.101 40.971 40.800 0.118 0.000 0.953 178 D HN 0.553 nan 8.370 nan 0.000 0.478 179 E N -0.585 119.542 120.200 -0.122 0.000 2.107 179 E HA -0.116 4.234 4.350 0.000 0.000 0.191 179 E C 1.914 178.626 176.600 0.187 0.000 0.982 179 E CA 0.307 56.593 56.400 -0.190 0.000 0.809 179 E CB -0.011 29.531 29.700 -0.263 0.000 0.756 179 E HN 0.235 nan 8.360 nan 0.000 0.459 180 L N 1.231 122.486 121.223 0.054 0.000 2.056 180 L HA -0.136 4.205 4.340 0.000 0.000 0.207 180 L C 1.989 178.862 176.870 0.005 0.000 1.078 180 L CA 1.523 56.344 54.840 -0.032 0.000 0.749 180 L CB -0.245 41.740 42.059 -0.123 0.000 0.901 180 L HN 0.108 nan 8.230 nan 0.000 0.433 181 I N -1.171 119.429 120.570 0.050 0.000 2.226 181 I HA -0.325 3.845 4.170 0.000 0.000 0.245 181 I C 2.404 178.617 176.117 0.160 0.000 1.100 181 I CA 1.745 63.079 61.300 0.057 0.000 1.374 181 I CB -0.474 37.558 38.000 0.054 0.000 1.057 181 I HN 0.342 nan 8.210 nan 0.000 0.413 182 F N 1.906 121.939 119.950 0.139 0.000 2.134 182 F HA -0.204 4.323 4.527 0.000 0.000 0.299 182 F C 2.465 178.405 175.800 0.233 0.000 1.097 182 F CA 1.438 59.580 58.000 0.237 0.000 1.264 182 F CB -0.261 38.970 39.000 0.385 0.000 1.001 182 F HN -0.014 nan 8.300 nan 0.000 0.479 183 A N 0.149 123.135 122.820 0.277 0.000 1.902 183 A HA -0.208 4.113 4.320 0.000 0.000 0.217 183 A C 2.281 179.789 177.584 -0.126 0.000 1.181 183 A CA 2.497 54.559 52.037 0.041 0.000 0.623 183 A CB -1.682 17.269 19.000 -0.083 0.000 0.818 183 A HN 0.559 nan 8.150 nan 0.000 0.443 184 T N -1.682 112.826 114.554 -0.076 0.000 2.788 184 T HA -0.140 4.211 4.350 0.000 0.000 0.268 184 T C 1.776 176.529 174.700 0.088 0.000 1.044 184 T CA 1.647 63.733 62.100 -0.023 0.000 1.139 184 T CB -0.324 68.546 68.868 0.003 0.000 0.867 184 T HN 0.554 nan 8.240 nan 0.000 0.454 185 K N 0.141 120.599 120.400 0.096 0.000 2.103 185 K HA 0.146 4.466 4.320 0.000 0.000 0.204 185 K C 2.468 179.203 176.600 0.225 0.000 1.052 185 K CA 0.964 57.408 56.287 0.262 0.000 0.945 185 K CB -0.183 32.441 32.500 0.207 0.000 0.722 185 K HN 0.251 nan 8.250 nan 0.000 0.443 186 M N 0.547 120.090 119.600 -0.095 0.000 2.175 186 M HA -0.034 4.446 4.480 0.000 0.000 0.264 186 M C 2.397 178.580 176.300 -0.194 0.000 1.063 186 M CA 1.201 56.347 55.300 -0.257 0.000 1.119 186 M CB -0.923 31.418 32.600 -0.432 0.000 1.377 186 M HN 0.140 nan 8.290 nan 0.000 0.415 187 A N -0.625 122.058 122.820 -0.228 0.000 1.933 187 A HA -0.209 4.111 4.320 0.000 0.000 0.218 187 A C 2.005 179.470 177.584 -0.197 0.000 1.175 187 A CA 1.427 53.193 52.037 -0.453 0.000 0.628 187 A CB -1.064 17.288 19.000 -1.080 0.000 0.814 187 A HN 0.669 nan 8.150 nan 0.000 0.444 188 W N 0.931 122.174 121.300 -0.095 0.000 2.379 188 W HA -0.103 4.557 4.660 0.000 0.000 0.307 188 W C 2.301 178.763 176.519 -0.094 0.000 1.200 188 W CA 1.454 58.793 57.345 -0.009 0.000 1.297 188 W CB -0.782 28.677 29.460 -0.002 0.000 1.140 188 W HN 0.360 nan 8.180 nan 0.000 0.507 189 R N 0.419 120.888 120.500 -0.053 0.000 2.139 189 R HA -0.193 4.147 4.340 0.000 0.000 0.243 189 R C 1.156 177.308 176.300 -0.247 0.000 1.145 189 R CA 1.837 57.700 56.100 -0.395 0.000 0.976 189 R CB -0.546 29.255 30.300 -0.832 0.000 0.866 189 R HN 0.082 nan 8.270 nan 0.000 0.449 190 N N 0.061 118.663 118.700 -0.163 0.000 2.314 190 N HA 0.064 4.805 4.740 0.000 0.000 0.200 190 N C -0.819 174.641 175.510 -0.084 0.000 1.135 190 N CA 0.423 53.417 53.050 -0.094 0.000 0.835 190 N CB 1.106 39.588 38.487 -0.008 0.000 0.989 190 N HN 0.159 nan 8.380 nan 0.000 0.478 191 A N 1.665 124.419 122.820 -0.109 0.000 2.539 191 A HA 0.340 4.660 4.320 0.000 0.000 0.306 191 A C -1.283 176.245 177.584 -0.093 0.000 1.392 191 A CA -1.130 50.795 52.037 -0.186 0.000 1.060 191 A CB 0.462 19.409 19.000 -0.087 0.000 1.134 191 A HN -0.030 nan 8.150 nan 0.000 0.542 192 P HA -0.163 nan 4.420 nan 0.000 0.218 192 P C 1.019 178.272 177.300 -0.079 0.000 1.146 192 P CA 1.265 64.327 63.100 -0.063 0.000 0.813 192 P CB 0.148 31.816 31.700 -0.054 0.000 0.778 193 R N -2.233 118.182 120.500 -0.143 0.000 2.359 193 R HA 0.174 4.514 4.340 0.000 0.000 0.231 193 R C 0.205 176.521 176.300 0.027 0.000 0.913 193 R CA -0.183 55.866 56.100 -0.085 0.000 1.075 193 R CB -0.363 29.701 30.300 -0.393 0.000 1.087 193 R HN 0.188 nan 8.270 nan 0.000 0.515 194 C N 0.694 119.988 119.300 -0.009 0.000 2.285 194 C HA 0.342 4.802 4.460 0.000 0.000 0.335 194 C C 1.659 176.639 174.990 -0.015 0.000 1.267 194 C CA -0.792 58.252 59.018 0.043 0.000 1.762 194 C CB -0.398 27.424 27.740 0.136 0.000 2.365 194 C HN 0.571 nan 8.230 nan 0.000 0.527 195 I N 4.193 124.727 120.570 -0.060 0.000 3.578 195 I HA 0.199 4.369 4.170 0.000 0.000 0.295 195 I C 1.785 177.993 176.117 0.153 0.000 1.280 195 I CA 0.881 62.097 61.300 -0.139 0.000 1.347 195 I CB 0.103 38.007 38.000 -0.160 0.000 1.051 195 I HN 0.926 nan 8.210 nan 0.000 0.460 196 G N 0.077 108.964 108.800 0.145 0.000 3.371 196 G HA2 0.050 4.010 3.960 0.000 0.000 0.248 196 G HA3 0.050 4.010 3.960 0.000 0.000 0.248 196 G C 1.218 176.174 174.900 0.093 0.000 1.161 196 G CA -0.367 44.816 45.100 0.140 0.000 0.796 196 G HN 0.250 nan 8.290 nan 0.000 0.539 197 R N -0.140 120.360 120.500 0.001 0.000 2.341 197 R HA 0.087 4.428 4.340 0.000 0.000 0.213 197 R C 1.955 177.753 176.300 -0.838 0.000 1.082 197 R CA 0.232 56.038 56.100 -0.490 0.000 1.017 197 R CB -0.164 29.907 30.300 -0.383 0.000 0.860 197 R HN 0.459 nan 8.270 nan 0.000 0.473 198 I N 0.763 121.008 120.570 -0.542 0.000 2.916 198 I HA -0.213 3.957 4.170 0.000 0.000 0.267 198 I C 1.214 177.198 176.117 -0.222 0.000 1.263 198 I CA 1.133 62.248 61.300 -0.308 0.000 1.471 198 I CB 0.180 38.167 38.000 -0.021 0.000 1.089 198 I HN 0.185 nan 8.210 nan 0.000 0.468 199 Q N 0.419 120.014 119.800 -0.341 0.000 2.319 199 Q HA -0.071 4.269 4.340 0.000 0.000 0.202 199 Q C 1.611 177.049 176.000 -0.936 0.000 0.896 199 Q CA 0.256 55.841 55.803 -0.362 0.000 0.942 199 Q CB -0.164 28.550 28.738 -0.040 0.000 1.083 199 Q HN 0.779 nan 8.270 nan 0.000 0.510 200 W N 1.405 121.797 121.300 -1.512 0.000 2.296 200 W HA -0.235 4.425 4.660 0.000 0.000 0.296 200 W C 1.031 177.142 176.519 -0.681 0.000 1.220 200 W CA 1.630 57.877 57.345 -1.830 0.000 1.223 200 W CB -1.285 27.431 29.460 -1.240 0.000 1.139 200 W HN 0.150 nan 8.180 nan 0.000 0.534 201 S N -0.081 114.720 115.700 -1.499 0.000 2.575 201 S HA 0.021 4.491 4.470 0.000 0.000 0.215 201 S C 0.392 174.719 174.600 -0.454 0.000 0.966 201 S CA 0.146 57.670 58.200 -1.127 0.000 0.911 201 S CB -0.526 61.831 63.200 -1.406 0.000 0.780 201 S HN 0.202 nan 8.310 nan 0.000 0.514 202 N N 1.284 119.824 118.700 -0.266 0.000 2.817 202 N HA 0.526 5.266 4.740 0.000 0.000 0.234 202 N C -1.367 174.226 175.510 0.139 0.000 1.066 202 N CA -0.549 52.474 53.050 -0.044 0.000 0.926 202 N CB 0.600 39.085 38.487 -0.003 0.000 1.176 202 N HN 0.363 nan 8.380 nan 0.000 0.506 203 L N 1.760 123.030 121.223 0.078 0.000 2.464 203 L HA 0.512 4.852 4.340 0.000 0.000 0.266 203 L C -1.112 175.709 176.870 -0.082 0.000 0.965 203 L CA -0.652 54.225 54.840 0.061 0.000 0.833 203 L CB 2.001 44.143 42.059 0.138 0.000 1.296 203 L HN 0.348 nan 8.230 nan 0.000 0.405 204 Q N 3.004 122.701 119.800 -0.172 0.000 2.274 204 Q HA 0.599 4.939 4.340 0.000 0.000 0.256 204 Q C -1.680 173.940 176.000 -0.634 0.000 0.927 204 Q CA -0.221 55.314 55.803 -0.446 0.000 0.939 204 Q CB 1.462 29.818 28.738 -0.638 0.000 1.201 204 Q HN 0.518 nan 8.270 nan 0.000 0.426 205 V N 5.843 125.382 119.914 -0.626 0.000 2.370 205 V HA 0.429 4.550 4.120 0.000 0.000 0.283 205 V C -0.798 174.889 176.094 -0.677 0.000 1.023 205 V CA -0.574 61.407 62.300 -0.532 0.000 0.857 205 V CB 0.556 32.212 31.823 -0.278 0.000 0.985 205 V HN 0.650 nan 8.190 nan 0.000 0.443 206 F N 2.685 122.489 119.950 -0.242 0.000 2.361 206 F HA 0.366 4.893 4.527 0.000 0.000 0.364 206 F C 0.487 176.117 175.800 -0.284 0.000 1.120 206 F CA -1.177 56.675 58.000 -0.245 0.000 1.102 206 F CB 1.004 39.864 39.000 -0.233 0.000 1.183 206 F HN 0.440 nan 8.300 nan 0.000 0.476 207 D N 3.395 123.741 120.400 -0.091 0.000 2.402 207 D HA 0.343 4.983 4.640 0.000 0.000 0.235 207 D C 0.207 176.361 176.300 -0.243 0.000 1.226 207 D CA 0.152 54.052 54.000 -0.167 0.000 0.918 207 D CB 0.905 41.639 40.800 -0.110 0.000 1.043 207 D HN 0.592 nan 8.370 nan 0.000 0.506 208 A N 4.581 127.127 122.820 -0.458 0.000 2.713 208 A HA 0.173 4.493 4.320 0.000 0.000 0.296 208 A C 1.704 179.035 177.584 -0.422 0.000 1.255 208 A CA -0.420 51.202 52.037 -0.692 0.000 0.955 208 A CB 0.025 18.150 19.000 -1.458 0.000 1.149 208 A HN 0.524 nan 8.150 nan 0.000 0.538 209 R N 1.034 121.388 120.500 -0.243 0.000 2.193 209 R HA -0.108 4.232 4.340 0.000 0.000 0.229 209 R C 1.296 177.529 176.300 -0.112 0.000 1.110 209 R CA 1.334 57.353 56.100 -0.136 0.000 0.988 209 R CB -0.026 30.253 30.300 -0.035 0.000 0.871 209 R HN 0.738 nan 8.270 nan 0.000 0.458 210 N N 0.253 118.905 118.700 -0.080 0.000 2.322 210 N HA -0.062 4.678 4.740 0.000 0.000 0.194 210 N C 0.194 175.721 175.510 0.029 0.000 1.126 210 N CA -0.116 52.926 53.050 -0.013 0.000 0.845 210 N CB -0.392 38.103 38.487 0.013 0.000 0.976 210 N HN 0.039 nan 8.380 nan 0.000 0.475 211 C N 1.337 120.630 119.300 -0.010 0.000 2.689 211 C HA 0.415 4.875 4.460 0.000 0.000 0.409 211 C C 1.649 176.763 174.990 0.207 0.000 1.293 211 C CA 0.431 59.523 59.018 0.124 0.000 2.136 211 C CB 0.127 27.959 27.740 0.154 0.000 2.719 211 C HN 0.616 nan 8.230 nan 0.000 0.644 212 S N 0.998 116.893 115.700 0.325 0.000 2.733 212 S HA 0.217 4.687 4.470 0.000 0.000 0.270 212 S C 0.066 174.849 174.600 0.305 0.000 1.062 212 S CA 0.363 58.791 58.200 0.380 0.000 1.256 212 S CB -0.189 63.146 63.200 0.225 0.000 1.187 212 S HN 1.149 nan 8.310 nan 0.000 0.666 213 T N -1.578 113.138 114.554 0.270 0.000 2.896 213 T HA 0.828 5.178 4.350 0.000 0.000 0.297 213 T C 1.152 175.947 174.700 0.159 0.000 1.108 213 T CA -0.155 62.045 62.100 0.167 0.000 1.004 213 T CB 1.483 70.431 68.868 0.135 0.000 1.159 213 T HN 0.236 nan 8.240 nan 0.000 0.499 214 A N 0.900 123.784 122.820 0.107 0.000 1.940 214 A HA -0.128 4.192 4.320 0.000 0.000 0.219 214 A C 2.273 179.840 177.584 -0.029 0.000 1.176 214 A CA 2.352 54.443 52.037 0.091 0.000 0.631 214 A CB -1.189 17.959 19.000 0.246 0.000 0.814 214 A HN 0.928 nan 8.150 nan 0.000 0.446 215 Q N 0.253 120.116 119.800 0.105 0.000 2.124 215 Q HA -0.183 4.157 4.340 0.000 0.000 0.202 215 Q C 1.744 177.774 176.000 0.050 0.000 0.977 215 Q CA 2.311 58.155 55.803 0.068 0.000 0.850 215 Q CB -0.403 28.446 28.738 0.186 0.000 0.901 215 Q HN 0.760 nan 8.270 nan 0.000 0.429 216 E N -0.502 119.759 120.200 0.101 0.000 2.106 216 E HA -0.142 4.208 4.350 0.000 0.000 0.192 216 E C 2.058 178.798 176.600 0.233 0.000 0.984 216 E CA 1.130 57.609 56.400 0.132 0.000 0.806 216 E CB -0.146 29.682 29.700 0.213 0.000 0.750 216 E HN 0.447 nan 8.360 nan 0.000 0.458 217 M N 0.180 119.910 119.600 0.218 0.000 2.065 217 M HA -0.179 4.301 4.480 0.000 0.000 0.259 217 M C 2.263 178.635 176.300 0.120 0.000 1.069 217 M CA 1.420 56.838 55.300 0.198 0.000 1.110 217 M CB -0.354 32.170 32.600 -0.127 0.000 1.328 217 M HN 0.128 nan 8.290 nan 0.000 0.405 218 F N 1.372 121.136 119.950 -0.310 0.000 2.154 218 F HA -0.297 4.230 4.527 0.000 0.000 0.301 218 F C 2.234 177.920 175.800 -0.189 0.000 1.087 218 F CA 1.915 59.660 58.000 -0.424 0.000 1.274 218 F CB -0.519 37.892 39.000 -0.982 0.000 1.009 218 F HN 0.217 nan 8.300 nan 0.000 0.485 219 Q N -1.279 118.335 119.800 -0.311 0.000 2.123 219 Q HA -0.181 4.160 4.340 0.000 0.000 0.199 219 Q C 2.204 178.006 176.000 -0.330 0.000 0.966 219 Q CA 1.415 56.974 55.803 -0.407 0.000 0.845 219 Q CB -0.394 28.170 28.738 -0.290 0.000 0.907 219 Q HN 0.532 nan 8.270 nan 0.000 0.439 220 H N 0.307 119.323 119.070 -0.090 0.000 2.357 220 H HA -0.050 4.506 4.556 0.000 0.000 0.301 220 H C 2.135 177.411 175.328 -0.087 0.000 1.082 220 H CA 1.131 57.130 56.048 -0.081 0.000 1.342 220 H CB 0.028 29.819 29.762 0.048 0.000 1.389 220 H HN 0.250 nan 8.280 nan 0.000 0.511 221 I N 0.014 120.655 120.570 0.118 0.000 2.286 221 I HA -0.291 3.879 4.170 0.000 0.000 0.248 221 I C 2.583 178.646 176.117 -0.092 0.000 1.115 221 I CA 0.791 62.115 61.300 0.041 0.000 1.392 221 I CB -0.224 37.800 38.000 0.041 0.000 1.065 221 I HN 0.230 nan 8.210 nan 0.000 0.418 222 C N 0.124 119.270 119.300 -0.256 0.000 2.440 222 C HA -0.102 4.358 4.460 0.000 0.000 0.278 222 C C 2.937 177.825 174.990 -0.170 0.000 1.295 222 C CA 0.404 59.261 59.018 -0.267 0.000 1.738 222 C CB -1.045 26.420 27.740 -0.458 0.000 1.987 222 C HN 0.445 nan 8.230 nan 0.000 0.492 223 R N 0.515 120.887 120.500 -0.213 0.000 2.083 223 R HA -0.152 4.188 4.340 0.000 0.000 0.237 223 R C 2.008 178.165 176.300 -0.239 0.000 1.137 223 R CA 2.030 57.974 56.100 -0.260 0.000 0.951 223 R CB -1.088 28.978 30.300 -0.390 0.000 0.851 223 R HN 0.776 nan 8.270 nan 0.000 0.434 224 H N -0.144 118.726 119.070 -0.334 0.000 2.270 224 H HA -0.045 4.511 4.556 0.000 0.000 0.299 224 H C 2.305 177.670 175.328 0.063 0.000 1.077 224 H CA 2.323 58.290 56.048 -0.135 0.000 1.294 224 H CB -0.132 29.616 29.762 -0.024 0.000 1.371 224 H HN 0.137 nan 8.280 nan 0.000 0.491 225 I N 0.065 120.778 120.570 0.239 0.000 2.151 225 I HA -0.290 3.880 4.170 0.000 0.000 0.243 225 I C 2.494 178.684 176.117 0.121 0.000 1.080 225 I CA 1.137 62.529 61.300 0.154 0.000 1.339 225 I CB -0.297 37.721 38.000 0.030 0.000 1.039 225 I HN 0.343 nan 8.210 nan 0.000 0.409 226 L N 0.308 121.571 121.223 0.067 0.000 2.017 226 L HA -0.277 4.063 4.340 0.000 0.000 0.208 226 L C 2.535 179.449 176.870 0.074 0.000 1.073 226 L CA 1.918 56.785 54.840 0.045 0.000 0.745 226 L CB -1.000 41.062 42.059 0.007 0.000 0.894 226 L HN 0.260 nan 8.230 nan 0.000 0.432 227 Y N 0.231 120.544 120.300 0.021 0.000 2.097 227 Y HA -0.251 4.299 4.550 0.000 0.000 0.282 227 Y C 2.365 178.326 175.900 0.101 0.000 1.152 227 Y CA 2.203 60.349 58.100 0.075 0.000 1.136 227 Y CB -0.711 37.846 38.460 0.162 0.000 0.975 227 Y HN 0.252 nan 8.280 nan 0.000 0.498 228 A N -0.562 122.347 122.820 0.149 0.000 1.877 228 A HA -0.176 4.145 4.320 0.000 0.000 0.216 228 A C 2.228 179.828 177.584 0.026 0.000 1.186 228 A CA 2.308 54.404 52.037 0.098 0.000 0.620 228 A CB -1.401 17.786 19.000 0.312 0.000 0.822 228 A HN 0.536 nan 8.150 nan 0.000 0.443 229 T N -0.083 114.504 114.554 0.056 0.000 2.684 229 T HA -0.164 4.186 4.350 0.000 0.000 0.267 229 T C 1.197 175.893 174.700 -0.007 0.000 1.036 229 T CA 1.482 63.611 62.100 0.048 0.000 1.148 229 T CB -0.482 68.416 68.868 0.049 0.000 0.863 229 T HN 0.680 nan 8.240 nan 0.000 0.436 230 N N 1.328 119.993 118.700 -0.059 0.000 2.701 230 N HA -0.276 4.465 4.740 0.000 0.000 0.250 230 N C -0.004 175.476 175.510 -0.049 0.000 1.046 230 N CA 1.062 54.057 53.050 -0.093 0.000 0.733 230 N CB -1.866 36.516 38.487 -0.174 0.000 0.973 230 N HN 0.502 nan 8.380 nan 0.000 0.541 231 N N -1.915 116.770 118.700 -0.025 0.000 2.754 231 N HA -0.181 4.559 4.740 0.000 0.000 0.248 231 N C 0.939 176.435 175.510 -0.023 0.000 1.093 231 N CA 2.376 55.413 53.050 -0.021 0.000 0.699 231 N CB -1.242 37.230 38.487 -0.025 0.000 1.016 231 N HN 1.265 nan 8.380 nan 0.000 0.552 232 G N -0.822 107.972 108.800 -0.010 0.000 2.279 232 G HA2 -0.331 3.629 3.960 0.000 0.000 0.223 232 G HA3 -0.331 3.629 3.960 0.000 0.000 0.223 232 G C 0.063 174.962 174.900 -0.002 0.000 1.015 232 G CA 0.190 45.286 45.100 -0.007 0.000 0.621 232 G HN 0.725 nan 8.290 nan 0.000 0.506 233 N N 2.149 120.834 118.700 -0.024 0.000 3.188 233 N HA 0.347 5.087 4.740 0.000 0.000 0.279 233 N C 0.841 176.338 175.510 -0.021 0.000 1.213 233 N CA -0.595 52.428 53.050 -0.045 0.000 1.138 233 N CB -0.431 38.020 38.487 -0.059 0.000 1.417 233 N HN 0.344 nan 8.380 nan 0.000 0.526 234 I N 1.654 122.250 120.570 0.043 0.000 2.845 234 I HA -0.099 4.071 4.170 0.000 0.000 0.296 234 I C 0.802 177.040 176.117 0.201 0.000 1.216 234 I CA 0.791 62.179 61.300 0.148 0.000 1.438 234 I CB -0.261 37.925 38.000 0.311 0.000 1.342 234 I HN 0.308 nan 8.210 nan 0.000 0.577 235 R N 3.859 124.442 120.500 0.138 0.000 2.561 235 R HA 0.402 4.742 4.340 0.000 0.000 0.297 235 R C -0.473 175.949 176.300 0.204 0.000 0.969 235 R CA -0.674 55.516 56.100 0.150 0.000 0.879 235 R CB 1.960 32.183 30.300 -0.129 0.000 1.178 235 R HN 0.550 nan 8.270 nan 0.000 0.445 236 S N 1.435 117.252 115.700 0.196 0.000 2.549 236 S HA 0.532 5.002 4.470 0.000 0.000 0.279 236 S C -0.280 174.358 174.600 0.063 0.000 1.321 236 S CA -0.277 57.949 58.200 0.042 0.000 1.054 236 S CB 1.325 64.455 63.200 -0.117 0.000 0.899 236 S HN 0.707 nan 8.310 nan 0.000 0.497 237 A N 2.624 125.448 122.820 0.007 0.000 2.588 237 A HA 0.890 5.210 4.320 0.000 0.000 0.290 237 A C -1.313 176.247 177.584 -0.039 0.000 1.136 237 A CA -0.694 51.257 52.037 -0.143 0.000 0.681 237 A CB 1.209 20.057 19.000 -0.252 0.000 1.282 237 A HN 0.802 nan 8.150 nan 0.000 0.421 238 I N -0.222 120.305 120.570 -0.072 0.000 2.787 238 I HA 0.577 4.747 4.170 0.000 0.000 0.294 238 I C -1.474 174.741 176.117 0.164 0.000 1.365 238 I CA -0.104 61.325 61.300 0.214 0.000 1.029 238 I CB 2.421 40.468 38.000 0.077 0.000 1.313 238 I HN 0.609 nan 8.210 nan 0.000 0.431 239 T N 6.031 120.743 114.554 0.264 0.000 2.815 239 T HA 0.425 4.775 4.350 0.000 0.000 0.289 239 T C -0.728 173.836 174.700 -0.226 0.000 1.000 239 T CA -0.354 61.764 62.100 0.029 0.000 0.958 239 T CB 1.547 70.437 68.868 0.037 0.000 0.944 239 T HN 0.256 nan 8.240 nan 0.000 0.442 240 V N 5.154 124.872 119.914 -0.327 0.000 2.364 240 V HA 0.433 4.554 4.120 0.000 0.000 0.272 240 V C -0.270 175.568 176.094 -0.427 0.000 1.036 240 V CA -0.584 61.537 62.300 -0.300 0.000 0.880 240 V CB -0.251 31.365 31.823 -0.344 0.000 0.991 240 V HN 0.734 nan 8.190 nan 0.000 0.460 241 F N 5.188 125.107 119.950 -0.051 0.000 2.375 241 F HA 0.474 5.001 4.527 0.000 0.000 0.317 241 F C -1.793 173.921 175.800 -0.143 0.000 1.124 241 F CA -2.543 55.333 58.000 -0.207 0.000 1.050 241 F CB 0.444 39.310 39.000 -0.224 0.000 1.314 241 F HN 0.307 nan 8.300 nan 0.000 0.511 242 P HA -0.078 nan 4.420 nan 0.000 0.259 242 P C -1.104 176.170 177.300 -0.044 0.000 1.163 242 P CA 0.140 63.124 63.100 -0.193 0.000 0.760 242 P CB 0.065 31.499 31.700 -0.444 0.000 0.762 243 Q N 3.540 123.224 119.800 -0.194 0.000 2.432 243 Q HA 0.046 4.386 4.340 0.000 0.000 0.264 243 Q C 0.217 176.050 176.000 -0.280 0.000 1.035 243 Q CA -0.486 54.913 55.803 -0.674 0.000 0.908 243 Q CB 0.730 28.784 28.738 -1.140 0.000 1.280 243 Q HN 0.345 nan 8.270 nan 0.000 0.455 244 R N 1.417 121.765 120.500 -0.252 0.000 2.570 244 R HA -0.014 4.327 4.340 0.000 0.000 0.277 244 R C -0.007 176.249 176.300 -0.073 0.000 1.039 244 R CA 0.800 56.854 56.100 -0.076 0.000 1.065 244 R CB 0.528 30.791 30.300 -0.062 0.000 0.964 244 R HN 0.967 nan 8.270 nan 0.000 0.428 245 S N 2.359 118.063 115.700 0.006 0.000 2.860 245 S HA -0.042 4.428 4.470 0.000 0.000 0.181 245 S C 0.882 175.500 174.600 0.030 0.000 0.763 245 S CA 0.204 58.407 58.200 0.005 0.000 0.829 245 S CB -0.133 63.072 63.200 0.008 0.000 0.793 245 S HN 0.833 nan 8.310 nan 0.000 0.614 246 D N 0.471 120.918 120.400 0.079 0.000 2.349 246 D HA 0.266 4.907 4.640 0.000 0.000 0.214 246 D C 1.408 177.752 176.300 0.073 0.000 1.063 246 D CA 0.823 54.872 54.000 0.082 0.000 0.847 246 D CB -0.085 40.789 40.800 0.123 0.000 0.933 246 D HN 0.845 nan 8.370 nan 0.000 0.513 247 G N 1.147 109.991 108.800 0.074 0.000 2.199 247 G HA2 -0.340 3.620 3.960 0.000 0.000 0.254 247 G HA3 -0.340 3.620 3.960 0.000 0.000 0.254 247 G C 1.011 175.927 174.900 0.026 0.000 0.982 247 G CA 0.431 45.555 45.100 0.040 0.000 0.632 247 G HN 0.467 nan 8.290 nan 0.000 0.529 248 K N -0.424 119.998 120.400 0.038 0.000 2.358 248 K HA 0.281 4.601 4.320 0.000 0.000 0.197 248 K C 0.455 176.860 176.600 -0.324 0.000 1.025 248 K CA 0.315 56.529 56.287 -0.121 0.000 1.104 248 K CB 0.373 32.772 32.500 -0.168 0.000 0.855 248 K HN 0.511 nan 8.250 nan 0.000 0.531 249 H N 0.636 119.709 119.070 0.006 0.000 2.587 249 H HA 0.192 4.748 4.556 0.000 0.000 0.245 249 H C -1.061 174.268 175.328 0.001 0.000 1.238 249 H CA -0.763 55.278 56.048 -0.012 0.000 0.963 249 H CB 0.178 29.949 29.762 0.015 0.000 1.904 249 H HN -0.004 nan 8.280 nan 0.000 0.584 250 D N 0.492 120.932 120.400 0.067 0.000 2.382 250 D HA 0.035 4.675 4.640 0.000 0.000 0.245 250 D C 0.027 176.349 176.300 0.037 0.000 1.120 250 D CA 0.242 54.308 54.000 0.109 0.000 0.890 250 D CB 0.788 41.635 40.800 0.077 0.000 1.201 250 D HN 0.141 nan 8.370 nan 0.000 0.433 251 F N 2.103 122.084 119.950 0.052 0.000 2.404 251 F HA 0.357 4.884 4.527 0.000 0.000 0.345 251 F C 0.985 176.796 175.800 0.018 0.000 1.110 251 F CA -0.186 57.820 58.000 0.011 0.000 1.130 251 F CB 0.849 39.855 39.000 0.010 0.000 1.129 251 F HN -0.141 nan 8.300 nan 0.000 0.500 252 R N 3.454 124.029 120.500 0.125 0.000 2.584 252 R HA 0.476 4.816 4.340 0.000 0.000 0.276 252 R C -1.818 174.603 176.300 0.201 0.000 1.046 252 R CA -1.081 55.117 56.100 0.162 0.000 0.906 252 R CB 2.086 32.498 30.300 0.187 0.000 1.215 252 R HN 0.474 nan 8.270 nan 0.000 0.449 253 L N 1.703 123.030 121.223 0.173 0.000 2.275 253 L HA 0.377 4.717 4.340 0.000 0.000 0.288 253 L C 0.698 177.782 176.870 0.356 0.000 1.046 253 L CA -0.090 54.865 54.840 0.192 0.000 0.805 253 L CB 0.796 42.897 42.059 0.070 0.000 1.193 253 L HN 0.581 nan 8.230 nan 0.000 0.426 254 W N 0.634 122.010 121.300 0.127 0.000 2.770 254 W HA 0.083 4.743 4.660 0.000 0.000 0.256 254 W C 0.590 177.282 176.519 0.288 0.000 1.291 254 W CA -0.467 57.056 57.345 0.296 0.000 1.396 254 W CB -0.769 28.959 29.460 0.446 0.000 1.114 254 W HN 0.494 nan 8.180 nan 0.000 0.637 255 N N -0.689 118.180 118.700 0.280 0.000 2.467 255 N HA 0.064 4.804 4.740 0.000 0.000 0.262 255 N C 1.101 176.511 175.510 -0.168 0.000 1.234 255 N CA 0.368 53.313 53.050 -0.175 0.000 0.952 255 N CB 0.808 39.233 38.487 -0.103 0.000 1.158 255 N HN -0.309 nan 8.380 nan 0.000 0.463 256 S N -0.024 115.512 115.700 -0.274 0.000 2.388 256 S HA 0.009 4.479 4.470 0.000 0.000 0.223 256 S C 0.186 174.693 174.600 -0.155 0.000 1.034 256 S CA 0.967 59.074 58.200 -0.155 0.000 0.963 256 S CB 0.041 63.167 63.200 -0.124 0.000 0.827 256 S HN 0.545 nan 8.310 nan 0.000 0.481 257 Q N -0.738 118.954 119.800 -0.179 0.000 2.458 257 Q HA 0.539 4.879 4.340 0.000 0.000 0.282 257 Q C 0.679 176.554 176.000 -0.209 0.000 1.106 257 Q CA -0.403 55.291 55.803 -0.182 0.000 0.814 257 Q CB 1.170 29.836 28.738 -0.119 0.000 1.425 257 Q HN 0.021 nan 8.270 nan 0.000 0.437 258 L N 0.101 121.193 121.223 -0.219 0.000 2.027 258 L HA 0.068 4.408 4.340 0.000 0.000 0.206 258 L C 0.324 177.042 176.870 -0.254 0.000 1.074 258 L CA 0.918 55.638 54.840 -0.200 0.000 0.745 258 L CB 0.060 41.999 42.059 -0.200 0.000 0.898 258 L HN 0.509 nan 8.230 nan 0.000 0.433 259 I N 0.137 120.473 120.570 -0.390 0.000 2.377 259 I HA 0.451 4.621 4.170 0.000 0.000 0.293 259 I C -0.239 175.259 176.117 -1.031 0.000 0.987 259 I CA -0.231 60.653 61.300 -0.693 0.000 1.185 259 I CB 1.324 38.806 38.000 -0.862 0.000 1.341 259 I HN 0.108 nan 8.210 nan 0.000 0.455 260 R N 4.547 124.527 120.500 -0.867 0.000 2.634 260 R HA 0.465 4.805 4.340 0.000 0.000 0.263 260 R C -1.993 174.078 176.300 -0.383 0.000 1.060 260 R CA -0.665 55.066 56.100 -0.616 0.000 0.898 260 R CB 1.036 31.176 30.300 -0.267 0.000 1.253 260 R HN 0.292 nan 8.270 nan 0.000 0.461 261 Y N 1.212 121.516 120.300 0.006 0.000 2.320 261 Y HA 0.697 5.247 4.550 0.000 0.000 0.324 261 Y C 0.849 176.786 175.900 0.062 0.000 1.190 261 Y CA -0.296 57.860 58.100 0.093 0.000 1.215 261 Y CB 1.540 40.159 38.460 0.265 0.000 1.221 261 Y HN 0.744 nan 8.280 nan 0.000 0.486 262 A N 1.107 124.049 122.820 0.204 0.000 2.304 262 A HA 0.718 5.038 4.320 0.000 0.000 0.271 262 A C 0.330 177.794 177.584 -0.200 0.000 1.091 262 A CA 0.119 52.108 52.037 -0.080 0.000 0.812 262 A CB -0.003 18.883 19.000 -0.190 0.000 1.056 262 A HN 0.900 nan 8.150 nan 0.000 0.489 263 G N -0.381 108.199 108.800 -0.366 0.000 2.609 263 G HA2 0.585 4.545 3.960 0.000 0.000 0.308 263 G HA3 0.585 4.545 3.960 0.000 0.000 0.308 263 G C -1.415 173.266 174.900 -0.365 0.000 1.369 263 G CA -0.260 44.683 45.100 -0.261 0.000 0.958 263 G HN 0.517 nan 8.290 nan 0.000 0.499 264 Y N 0.116 120.464 120.300 0.080 0.000 2.409 264 Y HA 0.473 5.023 4.550 0.000 0.000 0.343 264 Y C 0.369 176.326 175.900 0.096 0.000 0.973 264 Y CA -0.971 57.199 58.100 0.117 0.000 1.064 264 Y CB 2.673 41.254 38.460 0.202 0.000 1.207 264 Y HN 0.499 nan 8.280 nan 0.000 0.452 265 Q N 3.933 123.880 119.800 0.245 0.000 2.490 265 Q HA 0.306 4.646 4.340 0.000 0.000 0.226 265 Q C -0.654 175.429 176.000 0.138 0.000 1.132 265 Q CA -0.743 55.147 55.803 0.145 0.000 0.928 265 Q CB 0.346 29.141 28.738 0.094 0.000 1.299 265 Q HN 0.549 nan 8.270 nan 0.000 0.528 266 M N 3.696 123.364 119.600 0.114 0.000 2.231 266 M HA 0.009 4.489 4.480 0.000 0.000 0.299 266 M C -1.552 174.746 176.300 -0.003 0.000 1.076 266 M CA -1.708 53.614 55.300 0.037 0.000 1.152 266 M CB -0.683 31.923 32.600 0.010 0.000 1.414 266 M HN 0.415 nan 8.290 nan 0.000 0.439 267 P HA -0.164 nan 4.420 nan 0.000 0.215 267 P C 0.303 177.583 177.300 -0.032 0.000 1.153 267 P CA 1.462 64.531 63.100 -0.053 0.000 0.853 267 P CB -0.111 31.535 31.700 -0.090 0.000 0.788 268 D N -2.107 118.274 120.400 -0.033 0.000 2.390 268 D HA 0.065 4.705 4.640 0.000 0.000 0.235 268 D C 1.432 177.726 176.300 -0.009 0.000 1.040 268 D CA 0.873 54.859 54.000 -0.022 0.000 0.923 268 D CB -0.955 39.830 40.800 -0.025 0.000 0.886 268 D HN 0.257 nan 8.370 nan 0.000 0.532 269 G N -0.232 108.567 108.800 -0.002 0.000 2.299 269 G HA2 -0.324 3.636 3.960 0.000 0.000 0.237 269 G HA3 -0.324 3.636 3.960 0.000 0.000 0.237 269 G C 0.695 175.604 174.900 0.015 0.000 1.027 269 G CA 0.457 45.561 45.100 0.008 0.000 0.619 269 G HN 0.831 nan 8.290 nan 0.000 0.513 270 T N 0.210 114.772 114.554 0.013 0.000 2.766 270 T HA 0.612 4.962 4.350 0.000 0.000 0.295 270 T C 0.480 175.200 174.700 0.034 0.000 1.024 270 T CA -0.135 61.976 62.100 0.018 0.000 1.018 270 T CB 1.407 70.282 68.868 0.011 0.000 1.002 270 T HN 0.491 nan 8.240 nan 0.000 0.532 271 I N 1.146 121.735 120.570 0.031 0.000 2.460 271 I HA 0.507 4.677 4.170 0.000 0.000 0.298 271 I C 0.387 176.528 176.117 0.040 0.000 0.989 271 I CA -0.770 60.555 61.300 0.043 0.000 1.173 271 I CB 1.628 39.636 38.000 0.013 0.000 1.338 271 I HN 0.822 nan 8.210 nan 0.000 0.456 272 R N 2.792 123.349 120.500 0.096 0.000 2.599 272 R HA 0.647 4.987 4.340 0.000 0.000 0.295 272 R C 0.187 176.537 176.300 0.085 0.000 0.963 272 R CA 0.248 56.405 56.100 0.096 0.000 0.883 272 R CB 1.769 32.172 30.300 0.171 0.000 1.171 272 R HN 0.919 nan 8.270 nan 0.000 0.450 273 G N 2.632 111.402 108.800 -0.050 0.000 2.499 273 G HA2 -0.265 3.695 3.960 0.000 0.000 0.232 273 G HA3 -0.265 3.695 3.960 0.000 0.000 0.232 273 G C -1.110 173.528 174.900 -0.437 0.000 1.251 273 G CA 0.034 45.071 45.100 -0.106 0.000 0.917 273 G HN 0.658 nan 8.290 nan 0.000 0.580 274 D N 1.859 122.140 120.400 -0.199 0.000 2.422 274 D HA 0.557 5.197 4.640 0.000 0.000 0.227 274 D C 1.586 177.835 176.300 -0.085 0.000 1.190 274 D CA 0.812 54.700 54.000 -0.186 0.000 0.905 274 D CB 0.606 41.602 40.800 0.327 0.000 1.034 274 D HN 0.947 nan 8.370 nan 0.000 0.507 275 A N 3.630 126.369 122.820 -0.134 0.000 2.084 275 A HA -0.140 4.180 4.320 0.000 0.000 0.221 275 A C 1.981 179.570 177.584 0.008 0.000 1.161 275 A CA 1.739 53.748 52.037 -0.047 0.000 0.653 275 A CB -0.166 18.809 19.000 -0.042 0.000 0.802 275 A HN 0.590 nan 8.150 nan 0.000 0.457 276 A N -0.670 122.175 122.820 0.042 0.000 2.167 276 A HA 0.128 4.449 4.320 0.000 0.000 0.214 276 A C 1.857 179.481 177.584 0.067 0.000 1.151 276 A CA 1.670 53.748 52.037 0.069 0.000 0.735 276 A CB -0.644 18.420 19.000 0.106 0.000 0.802 276 A HN 0.781 nan 8.150 nan 0.000 0.467 277 T N -3.220 111.370 114.554 0.060 0.000 3.215 277 T HA 0.402 4.752 4.350 0.000 0.000 0.271 277 T C 1.285 176.004 174.700 0.031 0.000 1.012 277 T CA -0.152 61.984 62.100 0.060 0.000 0.899 277 T CB -0.364 68.546 68.868 0.071 0.000 1.089 277 T HN 0.202 nan 8.240 nan 0.000 0.552 278 L N 0.716 121.945 121.223 0.010 0.000 1.971 278 L HA -0.117 4.223 4.340 0.000 0.000 0.215 278 L C 2.931 179.795 176.870 -0.009 0.000 1.072 278 L CA 1.897 56.732 54.840 -0.009 0.000 0.758 278 L CB -0.426 41.638 42.059 0.008 0.000 0.889 278 L HN 0.407 nan 8.230 nan 0.000 0.433 279 E N -0.574 119.624 120.200 -0.003 0.000 2.023 279 E HA -0.289 4.061 4.350 0.000 0.000 0.196 279 E C 2.057 178.608 176.600 -0.081 0.000 1.003 279 E CA 1.747 58.118 56.400 -0.048 0.000 0.809 279 E CB -0.271 29.393 29.700 -0.060 0.000 0.755 279 E HN 0.324 nan 8.360 nan 0.000 0.449 280 F N 1.691 121.511 119.950 -0.216 0.000 2.154 280 F HA -0.239 4.288 4.527 0.000 0.000 0.301 280 F C 2.406 178.101 175.800 -0.175 0.000 1.087 280 F CA 1.690 59.544 58.000 -0.244 0.000 1.274 280 F CB -0.316 38.572 39.000 -0.187 0.000 1.009 280 F HN -0.055 nan 8.300 nan 0.000 0.485 281 T N -0.566 113.965 114.554 -0.038 0.000 2.788 281 T HA -0.255 4.095 4.350 0.000 0.000 0.268 281 T C 1.741 176.392 174.700 -0.081 0.000 1.044 281 T CA 1.538 63.571 62.100 -0.113 0.000 1.139 281 T CB -0.292 68.489 68.868 -0.146 0.000 0.867 281 T HN 0.240 nan 8.240 nan 0.000 0.454 282 Q N 0.726 120.477 119.800 -0.082 0.000 2.079 282 Q HA -0.027 4.313 4.340 0.000 0.000 0.200 282 Q C 2.118 178.048 176.000 -0.118 0.000 0.974 282 Q CA 1.090 56.861 55.803 -0.053 0.000 0.840 282 Q CB -0.742 27.967 28.738 -0.050 0.000 0.898 282 Q HN 0.412 nan 8.270 nan 0.000 0.430 283 L N -0.206 120.873 121.223 -0.240 0.000 2.013 283 L HA -0.218 4.122 4.340 0.000 0.000 0.212 283 L C 2.152 178.866 176.870 -0.260 0.000 1.073 283 L CA 1.990 56.662 54.840 -0.280 0.000 0.753 283 L CB -1.152 40.647 42.059 -0.434 0.000 0.890 283 L HN 0.405 nan 8.230 nan 0.000 0.432 284 C N -0.373 118.708 119.300 -0.365 0.000 2.413 284 C HA -0.183 4.277 4.460 0.000 0.000 0.277 284 C C 2.743 177.773 174.990 0.067 0.000 1.228 284 C CA 1.055 59.936 59.018 -0.228 0.000 1.731 284 C CB -0.999 26.508 27.740 -0.388 0.000 2.042 284 C HN 0.613 nan 8.230 nan 0.000 0.468 285 I N 1.119 121.786 120.570 0.161 0.000 2.151 285 I HA -0.260 3.910 4.170 0.000 0.000 0.243 285 I C 2.143 178.279 176.117 0.032 0.000 1.080 285 I CA 1.785 63.176 61.300 0.151 0.000 1.339 285 I CB -0.583 37.486 38.000 0.114 0.000 1.039 285 I HN 0.376 nan 8.210 nan 0.000 0.409 286 D N 0.723 121.109 120.400 -0.023 0.000 2.097 286 D HA -0.126 4.514 4.640 0.000 0.000 0.195 286 D C 2.040 178.297 176.300 -0.072 0.000 0.989 286 D CA 1.204 55.166 54.000 -0.063 0.000 0.827 286 D CB -0.307 40.431 40.800 -0.103 0.000 0.966 286 D HN 0.300 nan 8.370 nan 0.000 0.456 287 L N -0.564 120.615 121.223 -0.073 0.000 2.675 287 L HA 0.119 4.459 4.340 0.000 0.000 0.238 287 L C 1.547 178.386 176.870 -0.052 0.000 1.155 287 L CA 0.582 55.379 54.840 -0.072 0.000 0.881 287 L CB -0.271 41.734 42.059 -0.089 0.000 1.008 287 L HN 0.224 nan 8.230 nan 0.000 0.443 288 G N -1.657 107.130 108.800 -0.022 0.000 2.253 288 G HA2 -0.285 3.675 3.960 0.000 0.000 0.209 288 G HA3 -0.285 3.675 3.960 0.000 0.000 0.209 288 G C -0.080 174.834 174.900 0.023 0.000 0.997 288 G CA -0.383 44.704 45.100 -0.021 0.000 0.640 288 G HN 0.275 nan 8.290 nan 0.000 0.496 289 W N 4.237 125.463 121.300 -0.122 0.000 2.223 289 W HA 0.587 5.247 4.660 0.000 0.000 0.334 289 W C 0.115 176.588 176.519 -0.076 0.000 1.334 289 W CA -0.254 57.030 57.345 -0.103 0.000 1.246 289 W CB 0.671 30.066 29.460 -0.109 0.000 1.184 289 W HN -0.073 nan 8.180 nan 0.000 0.563 290 K N 8.880 128.813 120.400 -0.779 0.000 2.284 290 K HA 0.225 4.545 4.320 0.000 0.000 0.287 290 K C -2.264 173.551 176.600 -1.307 0.000 1.081 290 K CA -1.984 53.852 56.287 -0.752 0.000 0.910 290 K CB 0.259 32.483 32.500 -0.459 0.000 1.088 290 K HN 0.345 nan 8.250 nan 0.000 0.478 291 P HA 0.158 nan 4.420 nan 0.000 0.268 291 P C -0.193 176.568 177.300 -0.898 0.000 1.204 291 P CA -0.125 62.343 63.100 -1.054 0.000 0.768 291 P CB 0.770 32.022 31.700 -0.746 0.000 0.842 292 R N 1.543 121.640 120.500 -0.672 0.000 2.432 292 R HA 0.128 4.469 4.340 0.000 0.000 0.260 292 R C -0.060 175.996 176.300 -0.406 0.000 0.935 292 R CA -0.356 55.515 56.100 -0.382 0.000 1.080 292 R CB -0.439 29.788 30.300 -0.120 0.000 1.155 292 R HN 0.409 nan 8.270 nan 0.000 0.531 293 Y N -0.307 119.470 120.300 -0.871 0.000 2.973 293 Y HA -0.290 4.260 4.550 0.000 0.000 0.210 293 Y C 0.853 176.491 175.900 -0.436 0.000 1.191 293 Y CA 0.676 58.128 58.100 -1.079 0.000 0.991 293 Y CB -1.855 36.242 38.460 -0.605 0.000 1.231 293 Y HN 0.229 nan 8.280 nan 0.000 0.504 294 G N -0.444 108.307 108.800 -0.082 0.000 2.667 294 G HA2 0.542 4.502 3.960 0.000 0.000 0.310 294 G HA3 0.542 4.502 3.960 0.000 0.000 0.310 294 G C 0.498 175.474 174.900 0.127 0.000 1.259 294 G CA -0.722 44.423 45.100 0.074 0.000 1.019 294 G HN 0.287 nan 8.290 nan 0.000 0.496 295 R N -1.410 119.054 120.500 -0.060 0.000 2.140 295 R HA 0.176 4.516 4.340 0.000 0.000 0.213 295 R C -0.059 175.859 176.300 -0.637 0.000 1.059 295 R CA 0.616 56.512 56.100 -0.341 0.000 1.000 295 R CB 0.003 29.963 30.300 -0.565 0.000 0.910 295 R HN 0.348 nan 8.270 nan 0.000 0.455 296 F N 1.153 121.061 119.950 -0.070 0.000 2.542 296 F HA 0.310 4.837 4.527 0.000 0.000 0.323 296 F C -1.098 174.625 175.800 -0.127 0.000 1.411 296 F CA -1.280 56.389 58.000 -0.551 0.000 1.124 296 F CB 0.826 39.378 39.000 -0.748 0.000 1.331 296 F HN -0.273 nan 8.300 nan 0.000 0.560 297 D N 1.540 122.119 120.400 0.298 0.000 2.317 297 D HA 0.241 4.881 4.640 0.000 0.000 0.234 297 D C 0.133 176.728 176.300 0.490 0.000 1.112 297 D CA -0.070 54.183 54.000 0.423 0.000 0.840 297 D CB 2.491 43.596 40.800 0.508 0.000 1.078 297 D HN -0.038 nan 8.370 nan 0.000 0.486 298 V N 3.647 123.811 119.914 0.416 0.000 2.529 298 V HA -0.002 4.118 4.120 0.000 0.000 0.292 298 V C 1.044 177.173 176.094 0.059 0.000 1.028 298 V CA -0.215 62.204 62.300 0.197 0.000 1.074 298 V CB 0.196 32.080 31.823 0.101 0.000 0.958 298 V HN 0.342 nan 8.190 nan 0.000 0.481 299 L N 8.091 129.241 121.223 -0.122 0.000 2.464 299 L HA 0.332 4.672 4.340 0.000 0.000 0.264 299 L C -1.716 174.940 176.870 -0.356 0.000 1.199 299 L CA -1.372 53.232 54.840 -0.393 0.000 0.818 299 L CB 0.714 42.628 42.059 -0.242 0.000 1.102 299 L HN 0.479 nan 8.230 nan 0.000 0.473 300 P HA 0.177 nan 4.420 nan 0.000 0.278 300 P C -1.021 176.214 177.300 -0.109 0.000 1.258 300 P CA -0.522 62.383 63.100 -0.326 0.000 0.811 300 P CB 0.978 32.365 31.700 -0.522 0.000 1.063 301 L N 1.160 122.401 121.223 0.030 0.000 2.331 301 L HA 0.240 4.580 4.340 0.000 0.000 0.278 301 L C 0.174 177.121 176.870 0.129 0.000 1.106 301 L CA -0.689 54.224 54.840 0.121 0.000 0.824 301 L CB 0.998 43.177 42.059 0.201 0.000 1.142 301 L HN 0.103 nan 8.230 nan 0.000 0.443 302 V N 5.955 125.958 119.914 0.148 0.000 2.275 302 V HA 0.340 4.460 4.120 0.000 0.000 0.272 302 V C 0.111 176.214 176.094 0.016 0.000 1.028 302 V CA -0.335 61.987 62.300 0.037 0.000 0.810 302 V CB 1.027 32.894 31.823 0.073 0.000 1.043 302 V HN 0.496 nan 8.190 nan 0.000 0.453 303 L N 4.368 125.606 121.223 0.026 0.000 2.325 303 L HA 0.645 4.985 4.340 0.000 0.000 0.278 303 L C -0.080 176.692 176.870 -0.165 0.000 1.023 303 L CA -0.420 54.409 54.840 -0.018 0.000 0.811 303 L CB 1.731 43.810 42.059 0.034 0.000 1.249 303 L HN 0.585 nan 8.230 nan 0.000 0.431 304 Q N 2.684 122.377 119.800 -0.178 0.000 2.357 304 Q HA 0.680 5.020 4.340 0.000 0.000 0.266 304 Q C -1.434 174.400 176.000 -0.277 0.000 1.021 304 Q CA -0.597 55.056 55.803 -0.250 0.000 0.784 304 Q CB 1.986 30.633 28.738 -0.152 0.000 1.243 304 Q HN 0.785 nan 8.270 nan 0.000 0.465 305 A N 3.813 126.414 122.820 -0.366 0.000 2.330 305 A HA 0.416 4.736 4.320 0.000 0.000 0.327 305 A C -0.299 176.799 177.584 -0.810 0.000 1.155 305 A CA -0.179 51.414 52.037 -0.741 0.000 0.803 305 A CB 0.897 19.694 19.000 -0.339 0.000 1.208 305 A HN 1.046 nan 8.150 nan 0.000 0.477 306 D N 1.680 121.220 120.400 -1.432 0.000 2.802 306 D HA -0.076 4.564 4.640 0.000 0.000 0.229 306 D C 1.285 177.451 176.300 -0.224 0.000 1.203 306 D CA 2.316 55.986 54.000 -0.552 0.000 0.712 306 D CB -1.013 39.663 40.800 -0.206 0.000 0.973 306 D HN 2.054 nan 8.370 nan 0.000 0.407 307 G N -0.081 108.583 108.800 -0.226 0.000 2.238 307 G HA2 -0.411 3.549 3.960 0.000 0.000 0.270 307 G HA3 -0.411 3.549 3.960 0.000 0.000 0.270 307 G C 0.480 175.319 174.900 -0.101 0.000 0.977 307 G CA 0.896 45.907 45.100 -0.147 0.000 0.639 307 G HN 0.606 nan 8.290 nan 0.000 0.544 308 Q N 0.983 120.690 119.800 -0.155 0.000 2.535 308 Q HA 0.337 4.677 4.340 0.000 0.000 0.228 308 Q C 0.207 176.091 176.000 -0.194 0.000 1.062 308 Q CA 0.008 55.735 55.803 -0.127 0.000 0.967 308 Q CB 0.138 28.796 28.738 -0.133 0.000 1.273 308 Q HN 0.499 nan 8.270 nan 0.000 0.554 309 D N 2.270 122.556 120.400 -0.190 0.000 2.414 309 D HA 0.121 4.761 4.640 0.000 0.000 0.242 309 D C -2.057 173.935 176.300 -0.514 0.000 1.129 309 D CA -0.629 53.121 54.000 -0.417 0.000 0.885 309 D CB 0.152 40.831 40.800 -0.202 0.000 1.198 309 D HN 0.210 nan 8.370 nan 0.000 0.437 310 P HA 0.047 nan 4.420 nan 0.000 0.269 310 P C -0.765 176.286 177.300 -0.415 0.000 1.215 310 P CA -0.052 62.599 63.100 -0.749 0.000 0.780 310 P CB 0.839 31.678 31.700 -1.434 0.000 0.898 311 E N 0.272 120.296 120.200 -0.293 0.000 2.238 311 E HA 0.373 4.723 4.350 0.000 0.000 0.267 311 E C -0.806 175.548 176.600 -0.409 0.000 0.887 311 E CA -1.188 55.017 56.400 -0.325 0.000 0.769 311 E CB 2.141 31.658 29.700 -0.305 0.000 1.187 311 E HN 0.146 nan 8.360 nan 0.000 0.416 312 V N 3.246 122.847 119.914 -0.523 0.000 2.498 312 V HA 0.315 4.435 4.120 0.000 0.000 0.279 312 V C -0.669 174.988 176.094 -0.728 0.000 1.048 312 V CA -0.153 61.894 62.300 -0.423 0.000 0.967 312 V CB -0.003 31.674 31.823 -0.245 0.000 0.988 312 V HN 0.508 nan 8.190 nan 0.000 0.473 313 F N 2.104 121.895 119.950 -0.265 0.000 2.553 313 F HA 0.399 4.926 4.527 0.000 0.000 0.335 313 F C 0.399 176.043 175.800 -0.259 0.000 1.148 313 F CA -0.695 57.028 58.000 -0.462 0.000 0.963 313 F CB 1.427 39.876 39.000 -0.918 0.000 1.217 313 F HN 0.377 nan 8.300 nan 0.000 0.441 314 E N 3.563 123.768 120.200 0.009 0.000 2.384 314 E HA 0.222 4.572 4.350 0.000 0.000 0.266 314 E C -0.090 176.642 176.600 0.220 0.000 1.012 314 E CA 0.008 56.486 56.400 0.129 0.000 0.901 314 E CB 1.192 31.001 29.700 0.182 0.000 0.967 314 E HN 0.531 nan 8.360 nan 0.000 0.435 315 I N 5.477 126.175 120.570 0.213 0.000 2.416 315 I HA 0.099 4.269 4.170 0.000 0.000 0.288 315 I C -1.951 174.280 176.117 0.191 0.000 1.051 315 I CA -1.910 59.535 61.300 0.242 0.000 1.375 315 I CB 0.574 38.651 38.000 0.127 0.000 1.407 315 I HN 0.109 nan 8.210 nan 0.000 0.516 316 P HA 0.045 nan 4.420 nan 0.000 0.261 316 P C -2.017 175.340 177.300 0.095 0.000 1.203 316 P CA -0.764 62.417 63.100 0.136 0.000 0.767 316 P CB 0.150 31.915 31.700 0.108 0.000 0.785 317 P HA -0.222 nan 4.420 nan 0.000 0.217 317 P C 0.827 178.164 177.300 0.062 0.000 1.151 317 P CA 1.448 64.599 63.100 0.084 0.000 0.849 317 P CB -0.019 31.734 31.700 0.088 0.000 0.787 318 D N -1.287 119.145 120.400 0.053 0.000 2.350 318 D HA -0.058 4.582 4.640 0.000 0.000 0.216 318 D C 1.678 177.996 176.300 0.030 0.000 0.968 318 D CA 0.825 54.848 54.000 0.038 0.000 0.894 318 D CB -0.126 40.693 40.800 0.032 0.000 0.909 318 D HN 0.279 nan 8.370 nan 0.000 0.520 319 L N 0.241 121.483 121.223 0.032 0.000 2.529 319 L HA 0.067 4.407 4.340 0.000 0.000 0.223 319 L C 0.395 177.281 176.870 0.026 0.000 1.113 319 L CA 0.146 54.999 54.840 0.022 0.000 0.861 319 L CB 0.686 42.752 42.059 0.011 0.000 1.012 319 L HN -0.230 nan 8.230 nan 0.000 0.461 320 V N 1.948 121.883 119.914 0.035 0.000 2.318 320 V HA 0.187 4.307 4.120 0.000 0.000 0.271 320 V C -0.044 176.078 176.094 0.047 0.000 1.030 320 V CA -0.557 61.764 62.300 0.035 0.000 0.844 320 V CB 1.488 33.331 31.823 0.034 0.000 1.015 320 V HN 0.015 nan 8.190 nan 0.000 0.460 321 L N 5.741 126.993 121.223 0.049 0.000 2.326 321 L HA 0.578 4.918 4.340 0.000 0.000 0.278 321 L C 0.015 176.910 176.870 0.042 0.000 1.092 321 L CA 0.562 55.422 54.840 0.033 0.000 0.810 321 L CB 0.815 42.887 42.059 0.022 0.000 1.153 321 L HN 0.710 nan 8.230 nan 0.000 0.439 322 E N 3.093 123.296 120.200 0.004 0.000 2.369 322 E HA 0.599 4.949 4.350 0.000 0.000 0.270 322 E C -1.557 174.979 176.600 -0.108 0.000 0.909 322 E CA -1.018 55.378 56.400 -0.007 0.000 0.775 322 E CB 2.551 32.277 29.700 0.043 0.000 1.270 322 E HN 0.380 nan 8.360 nan 0.000 0.445 323 V N 1.737 121.555 119.914 -0.161 0.000 2.444 323 V HA 0.263 4.383 4.120 0.000 0.000 0.294 323 V C -0.132 175.911 176.094 -0.085 0.000 1.022 323 V CA -0.793 61.362 62.300 -0.241 0.000 0.850 323 V CB 1.545 32.988 31.823 -0.633 0.000 0.992 323 V HN 0.833 nan 8.190 nan 0.000 0.426 324 T N 3.704 118.224 114.554 -0.057 0.000 2.832 324 T HA 0.491 4.841 4.350 0.000 0.000 0.296 324 T C -0.067 174.673 174.700 0.065 0.000 0.968 324 T CA -0.772 61.325 62.100 -0.004 0.000 1.107 324 T CB 0.738 69.604 68.868 -0.003 0.000 0.916 324 T HN 0.308 nan 8.240 nan 0.000 0.517 325 M N 3.283 122.967 119.600 0.139 0.000 2.184 325 M HA 0.376 4.856 4.480 0.000 0.000 0.351 325 M C 0.268 176.775 176.300 0.345 0.000 1.395 325 M CA 0.216 55.683 55.300 0.278 0.000 1.117 325 M CB -0.294 32.555 32.600 0.415 0.000 1.708 325 M HN 0.788 nan 8.290 nan 0.000 0.468 326 E N 1.029 121.410 120.200 0.301 0.000 2.343 326 E HA 0.403 4.753 4.350 0.000 0.000 0.270 326 E C -1.144 175.559 176.600 0.173 0.000 0.895 326 E CA -0.727 55.849 56.400 0.294 0.000 0.767 326 E CB 2.708 32.528 29.700 0.200 0.000 1.248 326 E HN 0.523 nan 8.360 nan 0.000 0.440 327 H N 2.815 121.850 119.070 -0.059 0.000 2.524 327 H HA 0.248 4.804 4.556 0.000 0.000 0.353 327 H C -1.954 173.141 175.328 -0.387 0.000 1.136 327 H CA -2.356 53.464 56.048 -0.380 0.000 1.193 327 H CB 1.977 31.372 29.762 -0.610 0.000 1.558 327 H HN 0.331 nan 8.280 nan 0.000 0.515 328 P HA -0.059 nan 4.420 nan 0.000 0.234 328 P C 0.433 177.533 177.300 -0.333 0.000 1.167 328 P CA 0.884 63.510 63.100 -0.789 0.000 0.763 328 P CB 0.774 31.829 31.700 -1.075 0.000 0.835 329 K N -1.434 118.905 120.400 -0.103 0.000 2.585 329 K HA 0.140 4.460 4.320 0.000 0.000 0.198 329 K C 0.752 177.330 176.600 -0.038 0.000 1.403 329 K CA 0.266 56.492 56.287 -0.103 0.000 1.021 329 K CB -0.148 32.210 32.500 -0.236 0.000 1.558 329 K HN 0.231 nan 8.250 nan 0.000 0.524 330 Y N 3.125 123.316 120.300 -0.181 0.000 2.624 330 Y HA 0.080 4.630 4.550 0.000 0.000 0.354 330 Y C 1.251 176.840 175.900 -0.519 0.000 1.051 330 Y CA -0.395 57.301 58.100 -0.673 0.000 1.377 330 Y CB 0.425 37.962 38.460 -1.537 0.000 1.168 330 Y HN 0.092 nan 8.280 nan 0.000 0.525 331 E N 3.807 123.949 120.200 -0.096 0.000 2.274 331 E HA -0.162 4.188 4.350 0.000 0.000 0.194 331 E C 1.422 178.053 176.600 0.053 0.000 0.996 331 E CA 0.763 57.171 56.400 0.014 0.000 0.840 331 E CB -0.020 29.731 29.700 0.084 0.000 0.772 331 E HN 0.853 nan 8.360 nan 0.000 0.491 332 W N -0.141 121.254 121.300 0.159 0.000 2.825 332 W HA -0.017 4.643 4.660 0.000 0.000 0.243 332 W C 1.265 177.841 176.519 0.095 0.000 1.293 332 W CA -0.223 57.173 57.345 0.084 0.000 1.403 332 W CB -0.749 28.720 29.460 0.015 0.000 1.134 332 W HN -0.042 nan 8.180 nan 0.000 0.666 333 F N 3.167 122.913 119.950 -0.341 0.000 2.102 333 F HA -0.264 4.263 4.527 0.000 0.000 0.298 333 F C 3.038 178.855 175.800 0.029 0.000 1.105 333 F CA 2.702 60.571 58.000 -0.217 0.000 1.239 333 F CB -0.659 38.149 39.000 -0.320 0.000 0.991 333 F HN -0.150 nan 8.300 nan 0.000 0.474 334 Q N 1.142 121.037 119.800 0.159 0.000 2.248 334 Q HA -0.262 4.078 4.340 0.000 0.000 0.208 334 Q C 1.667 177.699 176.000 0.052 0.000 0.984 334 Q CA 2.023 57.895 55.803 0.116 0.000 0.875 334 Q CB -0.563 28.248 28.738 0.122 0.000 0.910 334 Q HN 0.604 nan 8.270 nan 0.000 0.433 335 E N 0.198 120.443 120.200 0.074 0.000 2.338 335 E HA -0.084 4.266 4.350 0.000 0.000 0.197 335 E C 2.016 178.627 176.600 0.018 0.000 1.007 335 E CA 0.554 56.997 56.400 0.072 0.000 0.849 335 E CB -0.055 29.723 29.700 0.130 0.000 0.774 335 E HN 0.400 nan 8.360 nan 0.000 0.506 336 L N -0.251 120.930 121.223 -0.070 0.000 2.362 336 L HA -0.010 4.330 4.340 0.000 0.000 0.219 336 L C 1.465 178.304 176.870 -0.051 0.000 1.134 336 L CA 0.537 55.300 54.840 -0.129 0.000 0.807 336 L CB -0.435 41.392 42.059 -0.385 0.000 0.927 336 L HN 0.248 nan 8.230 nan 0.000 0.447 337 G N 0.896 109.690 108.800 -0.011 0.000 2.249 337 G HA2 -0.283 3.677 3.960 0.000 0.000 0.273 337 G HA3 -0.283 3.677 3.960 0.000 0.000 0.273 337 G C 0.059 175.047 174.900 0.148 0.000 1.036 337 G CA 0.024 45.170 45.100 0.077 0.000 0.824 337 G HN 0.250 nan 8.290 nan 0.000 0.504 338 L N -0.710 120.524 121.223 0.019 0.000 2.379 338 L HA 0.811 5.151 4.340 0.000 0.000 0.269 338 L C 0.644 177.435 176.870 -0.133 0.000 1.084 338 L CA -0.495 54.333 54.840 -0.020 0.000 0.802 338 L CB 1.623 43.539 42.059 -0.238 0.000 1.175 338 L HN 0.526 nan 8.230 nan 0.000 0.448 339 K N 0.448 120.619 120.400 -0.381 0.000 2.615 339 K HA 0.504 4.824 4.320 0.000 0.000 0.291 339 K C -2.046 174.543 176.600 -0.019 0.000 1.017 339 K CA -1.069 55.080 56.287 -0.230 0.000 0.882 339 K CB 2.092 34.356 32.500 -0.394 0.000 1.522 339 K HN 0.578 nan 8.250 nan 0.000 0.412 340 W N 1.699 122.941 121.300 -0.097 0.000 3.146 340 W HA 0.341 5.001 4.660 0.000 0.000 0.319 340 W C -1.358 175.158 176.519 -0.005 0.000 1.258 340 W CA -0.797 56.527 57.345 -0.034 0.000 1.189 340 W CB 1.544 30.863 29.460 -0.236 0.000 1.412 340 W HN 0.685 nan 8.180 nan 0.000 0.567 341 Y N 1.031 121.187 120.300 -0.240 0.000 2.336 341 Y HA 0.528 5.078 4.550 0.000 0.000 0.331 341 Y C 0.831 176.908 175.900 0.295 0.000 1.211 341 Y CA 0.041 58.109 58.100 -0.053 0.000 1.346 341 Y CB 0.194 38.509 38.460 -0.241 0.000 1.271 341 Y HN 0.344 nan 8.280 nan 0.000 0.538 342 A N 2.537 125.570 122.820 0.355 0.000 2.067 342 A HA 0.073 4.394 4.320 0.000 0.000 0.217 342 A C 0.503 178.425 177.584 0.563 0.000 1.156 342 A CA 0.245 52.545 52.037 0.437 0.000 0.683 342 A CB -0.267 18.828 19.000 0.159 0.000 0.808 342 A HN 0.673 nan 8.150 nan 0.000 0.455 343 L N 1.974 123.470 121.223 0.455 0.000 2.255 343 L HA 0.411 4.751 4.340 0.000 0.000 0.289 343 L C -2.547 174.470 176.870 0.244 0.000 1.046 343 L CA -2.161 52.856 54.840 0.296 0.000 0.816 343 L CB 1.474 43.635 42.059 0.171 0.000 1.197 343 L HN -0.033 nan 8.230 nan 0.000 0.427 344 P HA 0.375 nan 4.420 nan 0.000 0.284 344 P C -1.516 175.683 177.300 -0.168 0.000 1.432 344 P CA -0.334 62.568 63.100 -0.330 0.000 0.929 344 P CB 1.316 32.394 31.700 -1.037 0.000 1.158 345 A N 4.224 126.968 122.820 -0.127 0.000 2.353 345 A HA 0.485 4.805 4.320 0.000 0.000 0.299 345 A C -0.367 177.033 177.584 -0.307 0.000 1.089 345 A CA -0.694 51.220 52.037 -0.205 0.000 0.736 345 A CB 1.303 20.186 19.000 -0.196 0.000 1.195 345 A HN 0.277 nan 8.150 nan 0.000 0.447 346 V N 2.395 121.994 119.914 -0.524 0.000 2.508 346 V HA 0.390 4.510 4.120 0.000 0.000 0.281 346 V C 1.199 176.881 176.094 -0.688 0.000 1.041 346 V CA 0.879 62.791 62.300 -0.647 0.000 1.016 346 V CB 0.877 32.111 31.823 -0.982 0.000 0.984 346 V HN 1.127 nan 8.190 nan 0.000 0.478 347 A N 4.130 126.718 122.820 -0.387 0.000 2.192 347 A HA 0.110 4.430 4.320 0.000 0.000 0.208 347 A C 1.344 178.837 177.584 -0.153 0.000 1.220 347 A CA 0.466 52.346 52.037 -0.263 0.000 0.900 347 A CB -0.120 18.777 19.000 -0.172 0.000 0.937 347 A HN 0.915 nan 8.150 nan 0.000 0.487 348 N N -1.255 117.366 118.700 -0.132 0.000 2.214 348 N HA 0.277 5.017 4.740 0.000 0.000 0.214 348 N C 0.227 175.742 175.510 0.009 0.000 1.132 348 N CA -0.260 52.763 53.050 -0.044 0.000 0.856 348 N CB 0.145 38.606 38.487 -0.043 0.000 1.020 348 N HN 0.298 nan 8.380 nan 0.000 0.509 349 M N 1.152 120.752 119.600 -0.000 0.000 2.267 349 M HA 0.318 4.798 4.480 0.000 0.000 0.303 349 M C -0.462 175.955 176.300 0.195 0.000 1.164 349 M CA -0.701 54.669 55.300 0.117 0.000 1.060 349 M CB 1.897 34.573 32.600 0.127 0.000 1.455 349 M HN 0.134 nan 8.290 nan 0.000 0.483 350 L N 2.216 123.596 121.223 0.260 0.000 2.322 350 L HA 0.542 4.882 4.340 0.000 0.000 0.281 350 L C -1.429 175.665 176.870 0.372 0.000 1.014 350 L CA -1.001 54.012 54.840 0.288 0.000 0.815 350 L CB 1.414 43.605 42.059 0.220 0.000 1.247 350 L HN 0.567 nan 8.230 nan 0.000 0.421 351 L N 4.960 126.406 121.223 0.371 0.000 2.275 351 L HA 0.457 4.797 4.340 0.000 0.000 0.288 351 L C -0.433 176.596 176.870 0.265 0.000 1.046 351 L CA 0.344 55.343 54.840 0.265 0.000 0.805 351 L CB 1.104 43.281 42.059 0.195 0.000 1.193 351 L HN 0.622 nan 8.230 nan 0.000 0.426 352 E N 4.890 125.202 120.200 0.187 0.000 2.158 352 E HA 0.504 4.854 4.350 0.000 0.000 0.271 352 E C -1.887 174.737 176.600 0.040 0.000 0.911 352 E CA -0.422 56.077 56.400 0.165 0.000 0.767 352 E CB 1.883 31.750 29.700 0.279 0.000 1.120 352 E HN 0.522 nan 8.360 nan 0.000 0.405 353 V N 3.151 123.063 119.914 -0.004 0.000 2.752 353 V HA 0.493 4.613 4.120 0.000 0.000 0.302 353 V C 0.322 176.311 176.094 -0.175 0.000 1.133 353 V CA 0.447 62.630 62.300 -0.196 0.000 0.919 353 V CB 1.343 32.952 31.823 -0.357 0.000 1.026 353 V HN 0.862 nan 8.190 nan 0.000 0.429 354 G N 4.385 113.106 108.800 -0.133 0.000 2.379 354 G HA2 0.059 4.019 3.960 0.000 0.000 0.297 354 G HA3 0.059 4.019 3.960 0.000 0.000 0.297 354 G C 1.618 176.671 174.900 0.254 0.000 1.004 354 G CA 1.485 46.683 45.100 0.165 0.000 0.921 354 G HN 2.747 nan 8.290 nan 0.000 0.511 355 G N -1.927 106.937 108.800 0.106 0.000 2.253 355 G HA2 -0.269 3.691 3.960 0.000 0.000 0.251 355 G HA3 -0.269 3.691 3.960 0.000 0.000 0.251 355 G C 0.570 175.526 174.900 0.093 0.000 0.998 355 G CA 0.500 45.696 45.100 0.160 0.000 0.621 355 G HN 1.259 nan 8.290 nan 0.000 0.524 356 L N 0.875 122.126 121.223 0.047 0.000 2.371 356 L HA 0.564 4.904 4.340 0.000 0.000 0.272 356 L C 0.377 177.186 176.870 -0.102 0.000 1.124 356 L CA -0.189 54.589 54.840 -0.104 0.000 0.816 356 L CB 1.001 42.932 42.059 -0.213 0.000 1.129 356 L HN 0.218 nan 8.230 nan 0.000 0.448 357 E N 2.452 122.515 120.200 -0.229 0.000 2.199 357 E HA 0.402 4.752 4.350 0.000 0.000 0.265 357 E C -1.544 174.894 176.600 -0.270 0.000 0.882 357 E CA -0.470 55.860 56.400 -0.117 0.000 0.759 357 E CB 1.907 31.564 29.700 -0.072 0.000 1.148 357 E HN 0.251 nan 8.360 nan 0.000 0.412 358 F N 3.479 123.452 119.950 0.038 0.000 2.311 358 F HA 0.304 4.831 4.527 0.000 0.000 0.371 358 F C -1.815 174.056 175.800 0.118 0.000 1.083 358 F CA -2.219 55.822 58.000 0.070 0.000 1.113 358 F CB 1.456 40.490 39.000 0.057 0.000 1.349 358 F HN 0.363 nan 8.300 nan 0.000 0.470 359 P HA -0.043 nan 4.420 nan 0.000 0.226 359 P C -0.174 177.258 177.300 0.220 0.000 1.153 359 P CA 0.729 63.942 63.100 0.190 0.000 0.777 359 P CB 0.469 32.255 31.700 0.143 0.000 0.794 360 A N 0.038 123.038 122.820 0.300 0.000 2.375 360 A HA 0.559 4.879 4.320 0.000 0.000 0.291 360 A C -0.356 177.484 177.584 0.427 0.000 1.160 360 A CA -0.444 51.783 52.037 0.318 0.000 0.747 360 A CB 0.309 19.480 19.000 0.285 0.000 1.170 360 A HN 0.262 nan 8.150 nan 0.000 0.458 361 C N 1.074 120.562 119.300 0.314 0.000 3.319 361 C HA 0.496 4.956 4.460 0.000 0.000 0.258 361 C C -2.930 172.152 174.990 0.152 0.000 1.068 361 C CA -1.521 57.652 59.018 0.258 0.000 1.193 361 C CB -0.119 27.778 27.740 0.261 0.000 1.770 361 C HN 0.582 nan 8.230 nan 0.000 0.604 362 P HA 0.441 nan 4.420 nan 0.000 0.271 362 P C -0.627 176.627 177.300 -0.076 0.000 1.216 362 P CA 0.766 63.767 63.100 -0.165 0.000 0.776 362 P CB 0.782 32.395 31.700 -0.144 0.000 0.881 363 F N 0.280 120.140 119.950 -0.150 0.000 2.664 363 F HA 0.718 5.245 4.527 0.000 0.000 0.317 363 F C -0.815 174.889 175.800 -0.161 0.000 1.108 363 F CA -1.192 56.738 58.000 -0.116 0.000 0.957 363 F CB 1.569 40.368 39.000 -0.335 0.000 1.365 363 F HN 0.398 nan 8.300 nan 0.000 0.475 364 N N -0.482 118.347 118.700 0.216 0.000 2.710 364 N HA 0.661 5.402 4.740 0.000 0.000 0.257 364 N C -1.340 174.112 175.510 -0.096 0.000 1.327 364 N CA -0.309 52.774 53.050 0.055 0.000 0.861 364 N CB 1.752 40.303 38.487 0.107 0.000 1.532 364 N HN 1.115 nan 8.380 nan 0.000 0.499 365 G N -0.775 107.920 108.800 -0.174 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 -1.702 173.144 174.900 -0.091 0.000 1.099 365 G CA -0.641 44.268 45.100 -0.319 0.000 0.794 365 G HN 0.693 nan 8.290 nan 0.000 0.651 366 W N -1.631 119.667 121.300 -0.003 0.000 2.902 366 W HA 0.822 5.482 4.660 0.000 0.000 0.346 366 W C -1.362 175.155 176.519 -0.004 0.000 1.139 366 W CA -2.169 55.194 57.345 0.030 0.000 1.139 366 W CB 0.349 29.862 29.460 0.089 0.000 1.439 366 W HN 0.402 nan 8.180 nan 0.000 0.558 367 Y N 2.090 122.578 120.300 0.312 0.000 2.357 367 Y HA 0.282 4.832 4.550 0.000 0.000 0.340 367 Y C 0.651 176.588 175.900 0.062 0.000 1.260 367 Y CA -0.500 57.655 58.100 0.090 0.000 1.425 367 Y CB 1.045 39.456 38.460 -0.083 0.000 1.326 367 Y HN 0.415 nan 8.280 nan 0.000 0.580 368 M N 1.945 121.680 119.600 0.224 0.000 2.243 368 M HA 0.355 4.835 4.480 0.000 0.000 0.324 368 M C 1.037 177.301 176.300 -0.060 0.000 1.031 368 M CA -0.218 55.134 55.300 0.086 0.000 0.949 368 M CB 1.410 34.047 32.600 0.062 0.000 1.615 368 M HN 0.846 nan 8.290 nan 0.000 0.430 369 G N 1.711 110.429 108.800 -0.137 0.000 2.624 369 G HA2 -0.355 3.605 3.960 0.000 0.000 0.221 369 G HA3 -0.355 3.605 3.960 0.000 0.000 0.221 369 G C 1.127 175.843 174.900 -0.305 0.000 1.169 369 G CA 2.059 47.005 45.100 -0.256 0.000 0.771 369 G HN 0.874 nan 8.290 nan 0.000 0.598 370 T N -0.964 113.415 114.554 -0.291 0.000 2.897 370 T HA -0.046 4.304 4.350 0.000 0.000 0.271 370 T C 1.911 176.419 174.700 -0.320 0.000 1.084 370 T CA 1.700 63.587 62.100 -0.356 0.000 1.123 370 T CB -0.270 68.314 68.868 -0.473 0.000 0.865 370 T HN 0.556 nan 8.240 nan 0.000 0.496 371 E N 0.834 120.867 120.200 -0.278 0.000 2.051 371 E HA -0.044 4.307 4.350 0.000 0.000 0.192 371 E C 2.108 178.416 176.600 -0.486 0.000 0.991 371 E CA 1.434 57.684 56.400 -0.249 0.000 0.799 371 E CB -0.223 29.473 29.700 -0.007 0.000 0.748 371 E HN 0.609 nan 8.360 nan 0.000 0.449 372 I N 0.172 120.292 120.570 -0.749 0.000 2.364 372 I HA -0.039 4.131 4.170 0.000 0.000 0.241 372 I C 2.631 178.151 176.117 -0.995 0.000 1.082 372 I CA 0.795 61.348 61.300 -1.245 0.000 1.401 372 I CB -0.595 36.550 38.000 -1.426 0.000 1.126 372 I HN 0.093 nan 8.210 nan 0.000 0.429 373 G N 0.832 109.283 108.800 -0.583 0.000 2.440 373 G HA2 -0.164 3.796 3.960 0.000 0.000 0.218 373 G HA3 -0.164 3.796 3.960 0.000 0.000 0.218 373 G C 1.594 176.417 174.900 -0.130 0.000 1.154 373 G CA 1.297 46.259 45.100 -0.231 0.000 0.767 373 G HN 0.242 nan 8.290 nan 0.000 0.552 374 V N -0.057 119.726 119.914 -0.218 0.000 2.521 374 V HA 0.094 4.214 4.120 0.000 0.000 0.239 374 V C 2.783 178.797 176.094 -0.133 0.000 1.053 374 V CA 0.880 63.090 62.300 -0.149 0.000 1.073 374 V CB -0.222 31.483 31.823 -0.196 0.000 0.746 374 V HN 0.106 nan 8.190 nan 0.000 0.476 375 R N 0.816 121.197 120.500 -0.198 0.000 2.056 375 R HA -0.039 4.301 4.340 0.000 0.000 0.227 375 R C 1.990 178.217 176.300 -0.121 0.000 1.149 375 R CA 1.578 57.588 56.100 -0.150 0.000 0.937 375 R CB -1.234 28.967 30.300 -0.166 0.000 0.835 375 R HN 0.464 nan 8.270 nan 0.000 0.430 376 D N 0.452 120.672 120.400 -0.299 0.000 2.092 376 D HA -0.149 4.491 4.640 0.000 0.000 0.193 376 D C 1.916 178.233 176.300 0.029 0.000 0.994 376 D CA 1.227 55.036 54.000 -0.319 0.000 0.828 376 D CB -0.209 39.844 40.800 -1.243 0.000 0.963 376 D HN 0.092 nan 8.370 nan 0.000 0.450 377 F N 0.276 120.146 119.950 -0.133 0.000 2.335 377 F HA 0.015 4.542 4.527 0.000 0.000 0.296 377 F C 2.445 178.301 175.800 0.093 0.000 1.091 377 F CA -0.156 57.863 58.000 0.031 0.000 1.399 377 F CB -0.678 38.320 39.000 -0.003 0.000 1.067 377 F HN 0.047 nan 8.300 nan 0.000 0.520 378 C N -1.343 118.088 119.300 0.218 0.000 2.865 378 C HA 0.180 4.640 4.460 0.000 0.000 0.280 378 C C 0.442 175.488 174.990 0.093 0.000 1.255 378 C CA -0.673 58.430 59.018 0.142 0.000 1.705 378 C CB -0.586 27.205 27.740 0.084 0.000 2.080 378 C HN 0.076 nan 8.230 nan 0.000 0.591 379 D N 1.898 122.343 120.400 0.075 0.000 2.488 379 D HA 0.058 4.698 4.640 0.000 0.000 0.238 379 D C 1.559 177.906 176.300 0.080 0.000 1.138 379 D CA 0.525 54.557 54.000 0.054 0.000 0.873 379 D CB 0.988 41.815 40.800 0.045 0.000 1.183 379 D HN 0.435 nan 8.370 nan 0.000 0.458 380 T N -0.190 114.400 114.554 0.060 0.000 2.833 380 T HA -0.249 4.101 4.350 0.000 0.000 0.269 380 T C 1.296 176.033 174.700 0.061 0.000 1.054 380 T CA 0.831 62.971 62.100 0.066 0.000 1.135 380 T CB -0.028 68.873 68.868 0.054 0.000 0.869 380 T HN 0.452 nan 8.240 nan 0.000 0.466 381 Q N 0.963 120.797 119.800 0.055 0.000 2.247 381 Q HA 0.228 4.569 4.340 0.000 0.000 0.205 381 Q C 0.637 176.669 176.000 0.054 0.000 0.896 381 Q CA -0.172 55.660 55.803 0.047 0.000 0.950 381 Q CB 0.101 28.865 28.738 0.043 0.000 1.054 381 Q HN 0.386 nan 8.270 nan 0.000 0.482 382 R N -0.514 120.034 120.500 0.080 0.000 2.893 382 R HA 0.264 4.604 4.340 0.000 0.000 0.108 382 R C 1.001 177.339 176.300 0.063 0.000 0.889 382 R CA -0.438 55.733 56.100 0.118 0.000 0.627 382 R CB -1.000 29.443 30.300 0.239 0.000 0.778 382 R HN 0.083 nan 8.270 nan 0.000 0.360 383 Y N 1.770 122.216 120.300 0.243 0.000 2.578 383 Y HA -0.018 4.532 4.550 0.000 0.000 0.297 383 Y C 0.609 176.610 175.900 0.169 0.000 1.176 383 Y CA 0.400 58.649 58.100 0.248 0.000 1.315 383 Y CB -0.579 38.130 38.460 0.414 0.000 1.031 383 Y HN 0.470 nan 8.280 nan 0.000 0.524 384 N N 1.462 120.305 118.700 0.239 0.000 2.759 384 N HA -0.244 4.496 4.740 0.000 0.000 0.277 384 N C 0.551 176.157 175.510 0.161 0.000 0.982 384 N CA 0.810 53.961 53.050 0.168 0.000 0.833 384 N CB -1.084 37.469 38.487 0.109 0.000 0.927 384 N HN 0.684 nan 8.380 nan 0.000 0.573 385 I N -2.909 117.770 120.570 0.182 0.000 3.793 385 I HA 0.087 4.257 4.170 0.000 0.000 0.315 385 I C 1.500 177.709 176.117 0.153 0.000 1.275 385 I CA -0.353 61.025 61.300 0.131 0.000 1.214 385 I CB -0.083 37.954 38.000 0.061 0.000 1.018 385 I HN 0.157 nan 8.210 nan 0.000 0.439 386 L N 2.064 123.398 121.223 0.185 0.000 1.990 386 L HA -0.241 4.099 4.340 0.000 0.000 0.213 386 L C 2.575 179.652 176.870 0.344 0.000 1.072 386 L CA 2.412 57.397 54.840 0.241 0.000 0.755 386 L CB -0.815 41.353 42.059 0.182 0.000 0.889 386 L HN 0.541 nan 8.230 nan 0.000 0.432 387 E N -1.038 119.338 120.200 0.295 0.000 2.077 387 E HA -0.299 4.051 4.350 0.000 0.000 0.193 387 E C 2.061 178.664 176.600 0.005 0.000 0.989 387 E CA 1.223 57.723 56.400 0.166 0.000 0.800 387 E CB -0.103 29.643 29.700 0.078 0.000 0.746 387 E HN 0.525 nan 8.360 nan 0.000 0.452 388 E N 0.353 120.564 120.200 0.018 0.000 2.070 388 E HA -0.180 4.170 4.350 0.000 0.000 0.197 388 E C 2.000 178.565 176.600 -0.060 0.000 1.004 388 E CA 1.788 58.160 56.400 -0.045 0.000 0.805 388 E CB -0.366 29.321 29.700 -0.022 0.000 0.744 388 E HN 0.207 nan 8.360 nan 0.000 0.451 389 V N 0.319 120.273 119.914 0.067 0.000 2.407 389 V HA -0.184 3.936 4.120 0.000 0.000 0.248 389 V C 2.291 178.442 176.094 0.094 0.000 1.055 389 V CA 1.839 64.244 62.300 0.174 0.000 1.049 389 V CB -1.103 30.926 31.823 0.344 0.000 0.662 389 V HN 0.499 nan 8.190 nan 0.000 0.455 390 G N -0.318 108.545 108.800 0.104 0.000 2.418 390 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 390 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 390 G C 1.783 176.559 174.900 -0.206 0.000 1.158 390 G CA 0.560 45.682 45.100 0.036 0.000 0.771 390 G HN 0.415 nan 8.290 nan 0.000 0.545 391 R N -0.144 120.187 120.500 -0.282 0.000 2.075 391 R HA 0.060 4.400 4.340 0.000 0.000 0.232 391 R C 2.780 178.842 176.300 -0.398 0.000 1.126 391 R CA 0.659 56.562 56.100 -0.329 0.000 0.963 391 R CB -0.237 29.889 30.300 -0.290 0.000 0.858 391 R HN 0.192 nan 8.270 nan 0.000 0.435 392 R N 0.305 120.482 120.500 -0.539 0.000 2.127 392 R HA -0.086 4.254 4.340 0.000 0.000 0.238 392 R C 1.952 177.676 176.300 -0.961 0.000 1.134 392 R CA 1.208 56.691 56.100 -1.028 0.000 0.975 392 R CB -0.196 29.031 30.300 -1.788 0.000 0.865 392 R HN 0.309 nan 8.270 nan 0.000 0.447 393 M N -0.663 118.630 119.600 -0.512 0.000 2.556 393 M HA 0.098 4.578 4.480 0.000 0.000 0.245 393 M C 0.784 176.967 176.300 -0.195 0.000 1.128 393 M CA 0.640 55.779 55.300 -0.268 0.000 1.069 393 M CB 0.477 33.057 32.600 -0.033 0.000 1.469 393 M HN 0.359 nan 8.290 nan 0.000 0.494 394 G N 1.974 110.630 108.800 -0.240 0.000 2.221 394 G HA2 -0.241 3.719 3.960 0.000 0.000 0.265 394 G HA3 -0.241 3.719 3.960 0.000 0.000 0.265 394 G C -0.038 174.783 174.900 -0.130 0.000 1.041 394 G CA -0.046 44.945 45.100 -0.182 0.000 0.807 394 G HN 0.396 nan 8.290 nan 0.000 0.502 395 L N -0.993 120.148 121.223 -0.136 0.000 2.469 395 L HA 0.465 4.806 4.340 0.000 0.000 0.253 395 L C 0.986 177.732 176.870 -0.208 0.000 1.143 395 L CA -0.785 54.003 54.840 -0.087 0.000 0.804 395 L CB 0.438 42.517 42.059 0.033 0.000 1.214 395 L HN 0.168 nan 8.230 nan 0.000 0.476 396 E N -0.118 119.988 120.200 -0.156 0.000 1.979 396 E HA 0.016 4.366 4.350 0.000 0.000 0.285 396 E C 0.695 176.970 176.600 -0.543 0.000 1.188 396 E CA -0.029 56.239 56.400 -0.220 0.000 1.214 396 E CB 0.080 29.754 29.700 -0.044 0.000 1.210 396 E HN 0.643 nan 8.360 nan 0.000 0.477 397 T N -1.615 112.334 114.554 -1.009 0.000 3.139 397 T HA -0.165 4.185 4.350 0.000 0.000 0.267 397 T C 1.037 175.121 174.700 -1.027 0.000 1.164 397 T CA 0.861 61.880 62.100 -1.802 0.000 1.075 397 T CB -0.123 67.758 68.868 -1.644 0.000 0.904 397 T HN 0.413 nan 8.240 nan 0.000 0.540 398 H N 0.391 119.268 119.070 -0.321 0.000 2.654 398 H HA 0.232 4.788 4.556 0.000 0.000 0.264 398 H C 0.227 175.571 175.328 0.025 0.000 0.954 398 H CA 0.353 56.341 56.048 -0.100 0.000 1.199 398 H CB 0.489 30.194 29.762 -0.094 0.000 1.446 398 H HN 0.379 nan 8.280 nan 0.000 0.516 399 T N 2.679 117.316 114.554 0.138 0.000 2.853 399 T HA 0.201 4.551 4.350 0.000 0.000 0.317 399 T C 1.611 176.493 174.700 0.304 0.000 1.059 399 T CA -0.268 61.941 62.100 0.181 0.000 0.954 399 T CB 1.415 70.361 68.868 0.129 0.000 0.994 399 T HN 0.105 nan 8.240 nan 0.000 0.479 400 L N 2.279 123.670 121.223 0.280 0.000 2.013 400 L HA -0.188 4.152 4.340 0.000 0.000 0.212 400 L C 2.722 179.677 176.870 0.141 0.000 1.073 400 L CA 1.567 56.548 54.840 0.236 0.000 0.753 400 L CB -0.464 41.674 42.059 0.133 0.000 0.890 400 L HN 0.756 nan 8.230 nan 0.000 0.432 401 A N -0.644 122.245 122.820 0.114 0.000 2.234 401 A HA -0.189 4.131 4.320 0.000 0.000 0.216 401 A C 2.256 179.894 177.584 0.090 0.000 1.167 401 A CA 1.572 53.655 52.037 0.077 0.000 0.698 401 A CB -0.577 18.462 19.000 0.065 0.000 0.779 401 A HN 0.624 nan 8.150 nan 0.000 0.475 402 S N -0.712 115.079 115.700 0.151 0.000 2.562 402 S HA 0.173 4.643 4.470 0.000 0.000 0.221 402 S C 0.851 175.537 174.600 0.142 0.000 0.975 402 S CA 0.521 58.816 58.200 0.157 0.000 0.918 402 S CB -0.713 62.610 63.200 0.206 0.000 0.772 402 S HN 0.841 nan 8.310 nan 0.000 0.531 403 L N 0.459 121.730 121.223 0.079 0.000 3.865 403 L HA -0.174 4.166 4.340 0.000 0.000 0.408 403 L C 1.612 178.481 176.870 -0.002 0.000 1.209 403 L CA 0.819 55.647 54.840 -0.019 0.000 0.940 403 L CB -2.633 39.429 42.059 0.005 0.000 1.971 403 L HN 0.764 nan 8.230 nan 0.000 0.899 404 W N 0.216 121.525 121.300 0.015 0.000 2.402 404 W HA -0.113 4.547 4.660 0.000 0.000 0.286 404 W C 1.672 178.206 176.519 0.025 0.000 1.221 404 W CA 1.164 58.517 57.345 0.014 0.000 1.257 404 W CB -0.668 28.786 29.460 -0.011 0.000 1.120 404 W HN 0.269 nan 8.180 nan 0.000 0.551 405 K N 1.067 120.928 120.400 -0.898 0.000 2.097 405 K HA -0.144 4.176 4.320 0.000 0.000 0.205 405 K C 1.427 177.863 176.600 -0.274 0.000 1.050 405 K CA 2.198 57.999 56.287 -0.810 0.000 0.938 405 K CB -0.302 31.602 32.500 -0.994 0.000 0.718 405 K HN 0.083 nan 8.250 nan 0.000 0.442 406 D N 0.235 120.521 120.400 -0.190 0.000 2.144 406 D HA -0.080 4.560 4.640 0.000 0.000 0.200 406 D C 1.883 178.188 176.300 0.009 0.000 0.978 406 D CA 0.904 54.860 54.000 -0.073 0.000 0.833 406 D CB 0.082 40.850 40.800 -0.053 0.000 0.961 406 D HN 0.083 nan 8.370 nan 0.000 0.470 407 R N 0.445 120.976 120.500 0.052 0.000 2.073 407 R HA 0.052 4.392 4.340 0.000 0.000 0.229 407 R C 2.240 178.636 176.300 0.161 0.000 1.120 407 R CA 1.080 57.251 56.100 0.118 0.000 0.967 407 R CB -0.208 30.185 30.300 0.155 0.000 0.862 407 R HN 0.139 nan 8.270 nan 0.000 0.436 408 A N 0.572 123.502 122.820 0.183 0.000 1.845 408 A HA -0.145 4.175 4.320 0.000 0.000 0.215 408 A C 2.233 179.931 177.584 0.191 0.000 1.195 408 A CA 1.522 53.702 52.037 0.239 0.000 0.616 408 A CB -1.000 18.179 19.000 0.299 0.000 0.832 408 A HN 0.205 nan 8.150 nan 0.000 0.443 409 V N -0.016 119.964 119.914 0.110 0.000 2.453 409 V HA -0.235 3.885 4.120 0.000 0.000 0.252 409 V C 2.504 178.647 176.094 0.082 0.000 1.068 409 V CA 2.970 65.320 62.300 0.083 0.000 1.070 409 V CB -0.856 30.972 31.823 0.008 0.000 0.664 409 V HN 0.658 nan 8.190 nan 0.000 0.461 410 T N -0.437 114.170 114.554 0.087 0.000 2.857 410 T HA -0.095 4.255 4.350 0.000 0.000 0.266 410 T C 1.787 176.546 174.700 0.099 0.000 1.048 410 T CA 1.357 63.509 62.100 0.086 0.000 1.139 410 T CB -0.200 68.720 68.868 0.086 0.000 0.874 410 T HN 0.501 nan 8.240 nan 0.000 0.455 411 E N 1.017 121.307 120.200 0.149 0.000 2.106 411 E HA 0.017 4.367 4.350 0.000 0.000 0.192 411 E C 2.173 178.835 176.600 0.104 0.000 0.984 411 E CA 0.642 57.150 56.400 0.179 0.000 0.806 411 E CB -0.349 29.515 29.700 0.273 0.000 0.750 411 E HN 0.535 nan 8.360 nan 0.000 0.458 412 I N 1.478 122.135 120.570 0.143 0.000 2.252 412 I HA -0.244 3.926 4.170 0.000 0.000 0.245 412 I C 2.002 178.162 176.117 0.073 0.000 1.102 412 I CA 0.776 62.169 61.300 0.156 0.000 1.385 412 I CB -0.295 37.883 38.000 0.297 0.000 1.064 412 I HN 0.024 nan 8.210 nan 0.000 0.414 413 N N 0.588 119.313 118.700 0.042 0.000 2.223 413 N HA -0.114 4.626 4.740 0.000 0.000 0.185 413 N C 1.946 177.439 175.510 -0.029 0.000 1.016 413 N CA 1.080 54.124 53.050 -0.010 0.000 0.863 413 N CB -0.179 38.304 38.487 -0.007 0.000 0.983 413 N HN 0.170 nan 8.380 nan 0.000 0.429 414 V N 1.573 121.459 119.914 -0.048 0.000 2.358 414 V HA -0.183 3.937 4.120 0.000 0.000 0.246 414 V C 2.449 178.426 176.094 -0.195 0.000 1.047 414 V CA 1.739 63.961 62.300 -0.129 0.000 1.035 414 V CB -0.887 30.818 31.823 -0.196 0.000 0.658 414 V HN 0.262 nan 8.190 nan 0.000 0.452 415 A N -0.054 122.607 122.820 -0.265 0.000 1.865 415 A HA -0.185 4.135 4.320 0.000 0.000 0.217 415 A C 2.407 179.978 177.584 -0.022 0.000 1.191 415 A CA 2.281 54.142 52.037 -0.293 0.000 0.623 415 A CB -0.835 17.724 19.000 -0.734 0.000 0.826 415 A HN 0.317 nan 8.150 nan 0.000 0.444 416 V N 0.189 120.120 119.914 0.030 0.000 2.252 416 V HA -0.311 3.809 4.120 0.000 0.000 0.249 416 V C 2.616 178.743 176.094 0.055 0.000 1.056 416 V CA 2.209 64.556 62.300 0.079 0.000 1.022 416 V CB -0.899 30.883 31.823 -0.069 0.000 0.641 416 V HN 0.575 nan 8.190 nan 0.000 0.445 417 L N -0.698 120.511 121.223 -0.024 0.000 2.017 417 L HA -0.234 4.107 4.340 0.000 0.000 0.208 417 L C 2.651 179.553 176.870 0.055 0.000 1.073 417 L CA 2.215 57.046 54.840 -0.015 0.000 0.745 417 L CB -0.992 41.055 42.059 -0.020 0.000 0.894 417 L HN 0.518 nan 8.230 nan 0.000 0.432 418 H N -0.020 119.012 119.070 -0.063 0.000 2.319 418 H HA -0.174 4.382 4.556 0.000 0.000 0.299 418 H C 2.303 177.626 175.328 -0.008 0.000 1.092 418 H CA 1.994 57.994 56.048 -0.080 0.000 1.302 418 H CB 0.289 29.933 29.762 -0.197 0.000 1.373 418 H HN 0.263 nan 8.280 nan 0.000 0.497 419 S N 0.242 115.880 115.700 -0.103 0.000 2.370 419 S HA -0.136 4.334 4.470 0.000 0.000 0.226 419 S C 1.968 176.548 174.600 -0.033 0.000 1.033 419 S CA 1.334 59.475 58.200 -0.098 0.000 1.011 419 S CB -0.500 62.748 63.200 0.081 0.000 0.852 419 S HN 0.299 nan 8.310 nan 0.000 0.457 420 F N 1.948 121.835 119.950 -0.105 0.000 2.146 420 F HA -0.084 4.443 4.527 0.000 0.000 0.298 420 F C 2.627 178.369 175.800 -0.096 0.000 1.096 420 F CA 1.035 58.992 58.000 -0.071 0.000 1.275 420 F CB -0.628 38.348 39.000 -0.040 0.000 1.008 420 F HN 0.218 nan 8.300 nan 0.000 0.480 421 Q N -0.137 119.704 119.800 0.067 0.000 2.046 421 Q HA -0.231 4.109 4.340 0.000 0.000 0.200 421 Q C 2.201 178.147 176.000 -0.090 0.000 0.975 421 Q CA 1.678 57.470 55.803 -0.018 0.000 0.836 421 Q CB -0.295 28.424 28.738 -0.031 0.000 0.896 421 Q HN 0.308 nan 8.270 nan 0.000 0.428 422 K N 0.932 121.215 120.400 -0.194 0.000 2.097 422 K HA -0.187 4.133 4.320 0.000 0.000 0.206 422 K C 1.460 177.978 176.600 -0.135 0.000 1.049 422 K CA 1.361 57.523 56.287 -0.208 0.000 0.933 422 K CB 0.161 32.437 32.500 -0.373 0.000 0.717 422 K HN 0.149 nan 8.250 nan 0.000 0.442 423 Q N 0.315 120.033 119.800 -0.136 0.000 2.280 423 Q HA 0.112 4.453 4.340 0.000 0.000 0.202 423 Q C -0.673 175.267 176.000 -0.100 0.000 0.903 423 Q CA -0.190 55.541 55.803 -0.120 0.000 0.948 423 Q CB 0.483 29.128 28.738 -0.156 0.000 1.058 423 Q HN 0.306 nan 8.270 nan 0.000 0.493 424 N N -0.209 118.446 118.700 -0.076 0.000 2.740 424 N HA -0.145 4.595 4.740 0.000 0.000 0.248 424 N C -1.266 174.219 175.510 -0.041 0.000 1.062 424 N CA 0.588 53.606 53.050 -0.053 0.000 0.704 424 N CB -1.450 37.006 38.487 -0.051 0.000 0.968 424 N HN 0.033 nan 8.380 nan 0.000 0.547 425 V N 0.799 120.700 119.914 -0.021 0.000 2.435 425 V HA 0.264 4.384 4.120 0.000 0.000 0.290 425 V C 0.945 177.149 176.094 0.183 0.000 1.030 425 V CA -0.630 61.693 62.300 0.038 0.000 0.881 425 V CB 1.999 33.751 31.823 -0.118 0.000 0.983 425 V HN 0.168 nan 8.190 nan 0.000 0.445 426 T N 6.289 120.905 114.554 0.103 0.000 2.934 426 T HA 0.410 4.760 4.350 0.000 0.000 0.306 426 T C -0.230 174.546 174.700 0.126 0.000 1.042 426 T CA 0.872 62.961 62.100 -0.019 0.000 1.145 426 T CB 0.092 68.826 68.868 -0.224 0.000 0.982 426 T HN 0.594 nan 8.240 nan 0.000 0.544 427 I N 2.182 122.734 120.570 -0.031 0.000 2.842 427 I HA 0.512 4.682 4.170 0.000 0.000 0.296 427 I C -1.744 174.355 176.117 -0.031 0.000 1.538 427 I CA -0.942 60.348 61.300 -0.016 0.000 0.994 427 I CB 1.939 39.801 38.000 -0.230 0.000 1.372 427 I HN 0.658 nan 8.210 nan 0.000 0.478 428 M N 6.347 125.987 119.600 0.067 0.000 2.393 428 M HA 0.386 4.866 4.480 0.000 0.000 0.299 428 M C -1.460 174.886 176.300 0.078 0.000 1.103 428 M CA -0.623 54.732 55.300 0.092 0.000 0.910 428 M CB 1.655 34.389 32.600 0.223 0.000 1.659 428 M HN 0.605 nan 8.290 nan 0.000 0.445 429 D N 3.408 123.848 120.400 0.067 0.000 2.360 429 D HA 0.015 4.656 4.640 0.000 0.000 0.242 429 D C 0.617 176.982 176.300 0.108 0.000 1.184 429 D CA -0.117 53.945 54.000 0.104 0.000 0.930 429 D CB 0.537 41.387 40.800 0.084 0.000 1.161 429 D HN 0.842 nan 8.370 nan 0.000 0.447 430 H N 0.246 119.254 119.070 -0.102 0.000 2.457 430 H HA -0.122 4.434 4.556 0.000 0.000 0.294 430 H C 1.385 176.616 175.328 -0.162 0.000 1.064 430 H CA 1.126 57.078 56.048 -0.160 0.000 1.330 430 H CB -0.723 28.886 29.762 -0.254 0.000 1.395 430 H HN 0.519 nan 8.280 nan 0.000 0.541 431 H N 1.036 119.908 119.070 -0.330 0.000 2.299 431 H HA -0.047 4.509 4.556 0.000 0.000 0.302 431 H C 1.970 177.268 175.328 -0.049 0.000 1.078 431 H CA 2.055 57.980 56.048 -0.206 0.000 1.323 431 H CB -0.354 29.259 29.762 -0.249 0.000 1.381 431 H HN 0.385 nan 8.280 nan 0.000 0.498 432 T N 1.267 115.878 114.554 0.095 0.000 2.788 432 T HA -0.107 4.243 4.350 0.000 0.000 0.268 432 T C 2.319 177.087 174.700 0.113 0.000 1.044 432 T CA 1.172 63.327 62.100 0.092 0.000 1.139 432 T CB -0.417 68.499 68.868 0.079 0.000 0.867 432 T HN 0.434 nan 8.240 nan 0.000 0.454 433 A N 1.330 124.218 122.820 0.114 0.000 1.877 433 A HA -0.113 4.207 4.320 0.000 0.000 0.216 433 A C 2.652 180.332 177.584 0.160 0.000 1.186 433 A CA 2.026 54.150 52.037 0.144 0.000 0.620 433 A CB -1.035 18.040 19.000 0.124 0.000 0.822 433 A HN 0.425 nan 8.150 nan 0.000 0.443 434 S N -0.375 115.398 115.700 0.122 0.000 2.359 434 S HA -0.175 4.295 4.470 0.000 0.000 0.224 434 S C 1.898 176.615 174.600 0.196 0.000 1.035 434 S CA 1.565 59.856 58.200 0.151 0.000 1.018 434 S CB -0.358 62.899 63.200 0.095 0.000 0.876 434 S HN 0.684 nan 8.310 nan 0.000 0.448 435 E N 0.612 120.901 120.200 0.149 0.000 2.110 435 E HA -0.120 4.230 4.350 0.000 0.000 0.193 435 E C 2.258 178.938 176.600 0.134 0.000 0.988 435 E CA 1.101 57.578 56.400 0.130 0.000 0.804 435 E CB -0.269 29.489 29.700 0.097 0.000 0.745 435 E HN 0.405 nan 8.360 nan 0.000 0.458 436 S N 0.499 116.291 115.700 0.153 0.000 2.359 436 S HA -0.189 4.281 4.470 0.000 0.000 0.224 436 S C 1.759 176.468 174.600 0.181 0.000 1.035 436 S CA 1.036 59.330 58.200 0.156 0.000 1.018 436 S CB -0.295 63.010 63.200 0.176 0.000 0.876 436 S HN 0.322 nan 8.310 nan 0.000 0.448 437 F N 1.497 121.511 119.950 0.107 0.000 2.234 437 F HA 0.030 4.557 4.527 0.000 0.000 0.299 437 F C 2.097 177.986 175.800 0.148 0.000 1.087 437 F CA 1.279 59.360 58.000 0.134 0.000 1.340 437 F CB -0.271 38.789 39.000 0.100 0.000 1.031 437 F HN 0.196 nan 8.300 nan 0.000 0.500 438 M N 0.262 119.931 119.600 0.116 0.000 2.086 438 M HA -0.183 4.297 4.480 0.000 0.000 0.261 438 M C 2.260 178.521 176.300 -0.065 0.000 1.067 438 M CA 1.594 56.911 55.300 0.028 0.000 1.116 438 M CB -1.267 31.397 32.600 0.107 0.000 1.348 438 M HN 0.059 nan 8.290 nan 0.000 0.407 439 K N -0.239 120.156 120.400 -0.008 0.000 2.032 439 K HA -0.230 4.090 4.320 0.000 0.000 0.209 439 K C 2.014 178.585 176.600 -0.048 0.000 1.048 439 K CA 2.047 58.328 56.287 -0.010 0.000 0.927 439 K CB -0.782 31.738 32.500 0.034 0.000 0.712 439 K HN 0.414 nan 8.250 nan 0.000 0.441 440 H N -0.155 118.811 119.070 -0.173 0.000 2.319 440 H HA -0.086 4.470 4.556 0.000 0.000 0.299 440 H C 2.050 177.206 175.328 -0.287 0.000 1.092 440 H CA 2.589 58.506 56.048 -0.218 0.000 1.302 440 H CB -0.280 29.314 29.762 -0.280 0.000 1.373 440 H HN 0.283 nan 8.280 nan 0.000 0.497 441 M N -0.076 119.162 119.600 -0.604 0.000 2.106 441 M HA -0.272 4.208 4.480 0.000 0.000 0.259 441 M C 2.203 178.391 176.300 -0.186 0.000 1.068 441 M CA 2.092 57.105 55.300 -0.478 0.000 1.100 441 M CB -0.047 32.326 32.600 -0.378 0.000 1.351 441 M HN 0.453 nan 8.290 nan 0.000 0.404 442 Q N 0.055 119.761 119.800 -0.157 0.000 2.084 442 Q HA -0.180 4.160 4.340 0.000 0.000 0.202 442 Q C 1.726 177.688 176.000 -0.064 0.000 0.978 442 Q CA 1.898 57.656 55.803 -0.076 0.000 0.844 442 Q CB -0.195 28.501 28.738 -0.070 0.000 0.898 442 Q HN 0.570 nan 8.270 nan 0.000 0.426 443 N N 0.425 119.051 118.700 -0.122 0.000 2.069 443 N HA -0.177 4.563 4.740 0.000 0.000 0.191 443 N C 1.542 176.970 175.510 -0.136 0.000 1.031 443 N CA 1.121 54.111 53.050 -0.100 0.000 0.852 443 N CB -0.228 38.214 38.487 -0.074 0.000 1.018 443 N HN 0.246 nan 8.380 nan 0.000 0.423 444 E N 0.223 120.257 120.200 -0.278 0.000 2.085 444 E HA -0.147 4.203 4.350 0.000 0.000 0.194 444 E C 1.910 178.378 176.600 -0.221 0.000 0.994 444 E CA 0.862 57.078 56.400 -0.307 0.000 0.801 444 E CB -0.434 28.977 29.700 -0.481 0.000 0.743 444 E HN 0.515 nan 8.360 nan 0.000 0.453 445 Y N 0.854 121.063 120.300 -0.152 0.000 2.293 445 Y HA -0.073 4.477 4.550 0.000 0.000 0.291 445 Y C 2.557 178.416 175.900 -0.067 0.000 1.137 445 Y CA 1.100 59.148 58.100 -0.086 0.000 1.202 445 Y CB -0.032 38.376 38.460 -0.087 0.000 0.990 445 Y HN -0.036 nan 8.280 nan 0.000 0.537 446 R N -0.640 119.889 120.500 0.048 0.000 2.075 446 R HA -0.107 4.233 4.340 0.000 0.000 0.232 446 R C 2.464 178.757 176.300 -0.012 0.000 1.126 446 R CA 1.079 57.188 56.100 0.015 0.000 0.963 446 R CB -0.506 29.796 30.300 0.004 0.000 0.858 446 R HN 0.299 nan 8.270 nan 0.000 0.435 447 A N 1.680 124.476 122.820 -0.041 0.000 1.855 447 A HA -0.158 4.162 4.320 0.000 0.000 0.215 447 A C 1.656 179.205 177.584 -0.059 0.000 1.191 447 A CA 1.528 53.538 52.037 -0.044 0.000 0.613 447 A CB -0.111 18.855 19.000 -0.055 0.000 0.829 447 A HN 0.422 nan 8.150 nan 0.000 0.442 448 R N -2.552 117.884 120.500 -0.107 0.000 2.563 448 R HA 0.416 4.756 4.340 0.000 0.000 0.443 448 R C 0.585 176.809 176.300 -0.128 0.000 0.956 448 R CA 0.247 56.287 56.100 -0.101 0.000 1.141 448 R CB -0.746 29.491 30.300 -0.106 0.000 1.553 448 R HN 0.891 nan 8.270 nan 0.000 0.577 449 G N 0.096 108.808 108.800 -0.148 0.000 2.350 449 G HA2 0.042 4.002 3.960 0.000 0.000 0.298 449 G HA3 0.042 4.002 3.960 0.000 0.000 0.298 449 G C 0.260 174.913 174.900 -0.413 0.000 1.037 449 G CA 0.236 45.244 45.100 -0.152 0.000 1.074 449 G HN 0.999 nan 8.290 nan 0.000 0.511 450 G N -2.348 105.815 108.800 -1.062 0.000 2.350 450 G HA2 0.546 4.506 3.960 0.000 0.000 0.305 450 G HA3 0.546 4.506 3.960 0.000 0.000 0.305 450 G C -0.732 173.690 174.900 -0.796 0.000 1.479 450 G CA 0.257 44.630 45.100 -1.211 0.000 0.949 450 G HN 2.048 nan 8.290 nan 0.000 0.651 451 C N 2.421 121.508 119.300 -0.356 0.000 2.968 451 C HA 0.624 5.084 4.460 0.000 0.000 0.389 451 C C -2.571 172.377 174.990 -0.070 0.000 1.068 451 C CA -1.056 57.881 59.018 -0.136 0.000 1.272 451 C CB 1.100 28.818 27.740 -0.037 0.000 1.711 451 C HN 0.726 nan 8.230 nan 0.000 0.501 452 P HA 0.367 nan 4.420 nan 0.000 0.266 452 P C -0.575 176.639 177.300 -0.143 0.000 1.215 452 P CA 0.691 63.421 63.100 -0.616 0.000 0.763 452 P CB 0.934 32.153 31.700 -0.801 0.000 0.806 453 A N 2.961 125.765 122.820 -0.026 0.000 2.398 453 A HA 0.396 4.716 4.320 0.000 0.000 0.301 453 A C -0.848 176.792 177.584 0.094 0.000 1.041 453 A CA -0.561 51.536 52.037 0.099 0.000 0.711 453 A CB 1.197 20.358 19.000 0.269 0.000 1.240 453 A HN 0.431 nan 8.150 nan 0.000 0.420 454 D N 2.291 122.731 120.400 0.067 0.000 2.467 454 D HA 0.121 4.761 4.640 0.000 0.000 0.220 454 D C 0.847 177.267 176.300 0.199 0.000 1.103 454 D CA -0.500 53.575 54.000 0.125 0.000 0.886 454 D CB 0.276 41.111 40.800 0.058 0.000 1.025 454 D HN 0.616 nan 8.370 nan 0.000 0.514 455 W N 4.360 125.687 121.300 0.045 0.000 2.302 455 W HA -0.257 4.404 4.660 0.000 0.000 0.320 455 W C 1.808 178.354 176.519 0.044 0.000 1.241 455 W CA 1.368 58.725 57.345 0.020 0.000 1.264 455 W CB -0.157 29.295 29.460 -0.014 0.000 1.154 455 W HN 0.474 nan 8.180 nan 0.000 0.483 456 I N -1.009 119.852 120.570 0.485 0.000 2.399 456 I HA -0.314 3.856 4.170 0.000 0.000 0.254 456 I C 1.665 177.897 176.117 0.193 0.000 1.146 456 I CA 1.432 62.957 61.300 0.375 0.000 1.412 456 I CB -0.555 37.685 38.000 0.400 0.000 1.076 456 I HN 0.145 nan 8.210 nan 0.000 0.432 457 W N -0.228 121.051 121.300 -0.035 0.000 2.762 457 W HA 0.171 4.831 4.660 0.000 0.000 0.265 457 W C 2.152 178.563 176.519 -0.180 0.000 1.263 457 W CA 0.095 57.392 57.345 -0.080 0.000 1.411 457 W CB -0.243 29.193 29.460 -0.040 0.000 1.065 457 W HN -0.072 nan 8.180 nan 0.000 0.609 458 L N -0.231 120.948 121.223 -0.073 0.000 2.179 458 L HA 0.001 4.341 4.340 0.000 0.000 0.208 458 L C 0.662 177.329 176.870 -0.338 0.000 1.096 458 L CA 0.374 55.051 54.840 -0.272 0.000 0.779 458 L CB -0.887 40.922 42.059 -0.417 0.000 0.922 458 L HN -0.409 nan 8.230 nan 0.000 0.443 459 V N 1.574 121.201 119.914 -0.479 0.000 2.470 459 V HA 0.107 4.228 4.120 0.000 0.000 0.276 459 V C -1.821 174.099 176.094 -0.291 0.000 1.040 459 V CA -1.293 60.717 62.300 -0.484 0.000 1.008 459 V CB 0.353 31.668 31.823 -0.846 0.000 0.990 459 V HN 0.036 nan 8.190 nan 0.000 0.477 460 P HA 0.049 nan 4.420 nan 0.000 0.267 460 P C -1.736 175.449 177.300 -0.190 0.000 1.201 460 P CA -0.840 62.153 63.100 -0.178 0.000 0.775 460 P CB 0.048 31.691 31.700 -0.096 0.000 0.854 461 P HA -0.059 nan 4.420 nan 0.000 0.234 461 P C -0.119 177.085 177.300 -0.160 0.000 1.167 461 P CA 1.044 64.029 63.100 -0.193 0.000 0.763 461 P CB 0.100 31.672 31.700 -0.214 0.000 0.835 462 V N -6.570 113.239 119.914 -0.176 0.000 3.087 462 V HA 0.557 4.678 4.120 0.000 0.000 0.306 462 V C 0.184 176.252 176.094 -0.044 0.000 1.187 462 V CA -0.975 61.257 62.300 -0.114 0.000 0.999 462 V CB 1.390 33.133 31.823 -0.134 0.000 1.049 462 V HN -0.117 nan 8.190 nan 0.000 0.431 463 S N 1.197 116.894 115.700 -0.004 0.000 3.698 463 S HA -0.177 4.293 4.470 0.000 0.000 0.338 463 S C 1.529 176.116 174.600 -0.022 0.000 1.089 463 S CA 1.150 59.367 58.200 0.028 0.000 0.991 463 S CB -1.535 61.752 63.200 0.145 0.000 0.909 463 S HN 2.058 nan 8.310 nan 0.000 0.485 464 G N 2.484 111.245 108.800 -0.065 0.000 2.628 464 G HA2 -0.314 3.646 3.960 0.000 0.000 0.217 464 G HA3 -0.314 3.646 3.960 0.000 0.000 0.217 464 G C 1.471 176.229 174.900 -0.237 0.000 1.240 464 G CA 1.565 46.629 45.100 -0.060 0.000 0.792 464 G HN 1.332 nan 8.290 nan 0.000 0.593 465 S N 0.204 115.434 115.700 -0.783 0.000 2.547 465 S HA 0.070 4.540 4.470 0.000 0.000 0.235 465 S C 2.014 176.542 174.600 -0.121 0.000 0.980 465 S CA 0.610 58.218 58.200 -0.987 0.000 0.941 465 S CB -0.079 62.377 63.200 -1.241 0.000 0.763 465 S HN 0.212 nan 8.310 nan 0.000 0.532 466 I N 2.824 123.364 120.570 -0.050 0.000 3.059 466 I HA 0.044 4.214 4.170 0.000 0.000 0.270 466 I C 1.330 177.542 176.117 0.158 0.000 1.238 466 I CA 0.621 61.970 61.300 0.083 0.000 1.478 466 I CB -1.910 36.158 38.000 0.115 0.000 1.097 466 I HN 0.488 nan 8.210 nan 0.000 0.455 467 T N -0.895 113.739 114.554 0.132 0.000 2.907 467 T HA 0.336 4.686 4.350 0.000 0.000 0.284 467 T C -1.378 173.464 174.700 0.237 0.000 1.004 467 T CA -1.758 60.435 62.100 0.155 0.000 1.063 467 T CB 2.286 71.191 68.868 0.063 0.000 0.992 467 T HN -0.085 nan 8.240 nan 0.000 0.483 468 P HA -0.093 nan 4.420 nan 0.000 0.218 468 P C 1.860 179.347 177.300 0.312 0.000 1.149 468 P CA 1.106 64.397 63.100 0.319 0.000 0.817 468 P CB -0.343 31.487 31.700 0.217 0.000 0.785 469 V N -3.326 116.712 119.914 0.206 0.000 2.568 469 V HA -0.226 3.894 4.120 0.000 0.000 0.253 469 V C 2.340 178.492 176.094 0.096 0.000 1.072 469 V CA 1.486 63.873 62.300 0.145 0.000 1.084 469 V CB -2.311 29.518 31.823 0.011 0.000 0.676 469 V HN -0.110 nan 8.190 nan 0.000 0.469 470 F N 1.877 121.765 119.950 -0.104 0.000 2.216 470 F HA -0.123 4.404 4.527 0.000 0.000 0.300 470 F C 2.359 178.241 175.800 0.137 0.000 1.085 470 F CA 2.103 60.048 58.000 -0.091 0.000 1.326 470 F CB -0.319 38.511 39.000 -0.283 0.000 1.027 470 F HN 0.310 nan 8.300 nan 0.000 0.497 471 H N -0.950 118.465 119.070 0.575 0.000 2.526 471 H HA 0.133 4.689 4.556 0.000 0.000 0.274 471 H C 0.272 175.842 175.328 0.403 0.000 0.999 471 H CA 0.145 56.480 56.048 0.478 0.000 1.157 471 H CB -0.157 29.857 29.762 0.419 0.000 1.407 471 H HN 0.246 nan 8.280 nan 0.000 0.568 472 Q N 1.925 121.988 119.800 0.438 0.000 2.290 472 Q HA 0.163 4.503 4.340 0.000 0.000 0.259 472 Q C -0.534 175.670 176.000 0.340 0.000 0.941 472 Q CA -0.401 55.606 55.803 0.339 0.000 0.912 472 Q CB 0.912 29.820 28.738 0.284 0.000 1.244 472 Q HN 0.238 nan 8.270 nan 0.000 0.441 473 E N 3.533 123.878 120.200 0.242 0.000 2.354 473 E HA 0.360 4.710 4.350 0.000 0.000 0.269 473 E C -0.548 176.159 176.600 0.177 0.000 1.036 473 E CA 0.055 56.560 56.400 0.174 0.000 0.876 473 E CB 0.957 30.748 29.700 0.152 0.000 1.009 473 E HN 0.594 nan 8.360 nan 0.000 0.416 474 M N 2.081 121.794 119.600 0.187 0.000 2.550 474 M HA 0.355 4.835 4.480 0.000 0.000 0.292 474 M C -1.447 174.967 176.300 0.190 0.000 1.221 474 M CA -1.044 54.390 55.300 0.223 0.000 0.873 474 M CB 1.660 34.439 32.600 0.299 0.000 1.727 474 M HN 0.176 nan 8.290 nan 0.000 0.459 475 L N 2.242 123.604 121.223 0.231 0.000 2.322 475 L HA 0.518 4.858 4.340 0.000 0.000 0.281 475 L C -0.692 176.305 176.870 0.213 0.000 1.014 475 L CA -0.217 54.775 54.840 0.253 0.000 0.815 475 L CB 1.430 43.702 42.059 0.356 0.000 1.247 475 L HN 0.593 nan 8.230 nan 0.000 0.421 476 N N 3.163 121.973 118.700 0.183 0.000 2.446 476 N HA 0.571 5.311 4.740 0.000 0.000 0.265 476 N C -1.569 174.034 175.510 0.154 0.000 0.975 476 N CA -0.256 52.829 53.050 0.058 0.000 0.928 476 N CB 0.691 39.218 38.487 0.066 0.000 1.160 476 N HN 0.371 nan 8.380 nan 0.000 0.495 477 Y N 0.030 120.348 120.300 0.030 0.000 2.625 477 Y HA 0.631 5.181 4.550 0.000 0.000 0.338 477 Y C -1.039 174.813 175.900 -0.081 0.000 1.123 477 Y CA -1.396 56.695 58.100 -0.016 0.000 1.046 477 Y CB 0.655 39.122 38.460 0.011 0.000 1.299 477 Y HN -0.001 nan 8.280 nan 0.000 0.464 478 V N 4.030 123.912 119.914 -0.053 0.000 2.348 478 V HA 0.331 4.451 4.120 0.000 0.000 0.270 478 V C 0.201 176.144 176.094 -0.252 0.000 1.037 478 V CA -0.401 61.633 62.300 -0.444 0.000 0.872 478 V CB 0.310 31.705 31.823 -0.713 0.000 1.002 478 V HN 0.722 nan 8.190 nan 0.000 0.464 479 L N 2.957 124.092 121.223 -0.146 0.000 2.874 479 L HA 0.709 5.049 4.340 0.000 0.000 0.229 479 L C 0.416 177.272 176.870 -0.022 0.000 1.200 479 L CA -0.363 54.478 54.840 0.002 0.000 0.976 479 L CB 1.341 43.450 42.059 0.084 0.000 1.887 479 L HN 0.624 nan 8.230 nan 0.000 0.543 480 S N -1.058 114.672 115.700 0.049 0.000 2.543 480 S HA 0.493 4.963 4.470 0.000 0.000 0.273 480 S C -2.701 171.952 174.600 0.089 0.000 1.152 480 S CA -1.028 57.212 58.200 0.066 0.000 0.910 480 S CB 1.872 65.096 63.200 0.040 0.000 1.105 480 S HN 0.143 nan 8.310 nan 0.000 0.465 481 P HA 0.415 nan 4.420 nan 0.000 0.270 481 P C -1.256 176.032 177.300 -0.021 0.000 1.227 481 P CA -0.009 63.065 63.100 -0.043 0.000 0.788 481 P CB 0.213 31.818 31.700 -0.158 0.000 0.926 482 F N 0.144 119.912 119.950 -0.303 0.000 2.678 482 F HA 0.411 4.938 4.527 0.000 0.000 0.308 482 F C -1.631 173.898 175.800 -0.452 0.000 1.118 482 F CA -0.744 57.007 58.000 -0.415 0.000 0.959 482 F CB 1.147 39.894 39.000 -0.421 0.000 1.305 482 F HN 0.150 nan 8.300 nan 0.000 0.443 483 Y N 4.487 124.322 120.300 -0.775 0.000 2.385 483 Y HA 0.442 4.992 4.550 0.000 0.000 0.341 483 Y C -0.828 174.749 175.900 -0.538 0.000 0.965 483 Y CA -0.710 57.123 58.100 -0.444 0.000 1.180 483 Y CB 0.304 38.514 38.460 -0.417 0.000 1.139 483 Y HN 0.382 nan 8.280 nan 0.000 0.502 484 Y N 1.152 121.489 120.300 0.061 0.000 2.458 484 Y HA 0.389 4.939 4.550 0.000 0.000 0.322 484 Y C -0.185 175.712 175.900 -0.005 0.000 1.259 484 Y CA -0.961 57.173 58.100 0.057 0.000 1.302 484 Y CB 0.761 39.316 38.460 0.158 0.000 1.314 484 Y HN 0.406 nan 8.280 nan 0.000 0.509 485 Y N 0.263 120.724 120.300 0.268 0.000 2.340 485 Y HA 0.414 4.964 4.550 0.000 0.000 0.327 485 Y C 0.004 175.969 175.900 0.109 0.000 1.321 485 Y CA -1.021 57.154 58.100 0.124 0.000 1.433 485 Y CB 0.661 39.166 38.460 0.075 0.000 1.373 485 Y HN 0.435 nan 8.280 nan 0.000 0.538 486 Q N 0.088 120.010 119.800 0.203 0.000 2.553 486 Q HA 0.466 4.807 4.340 0.000 0.000 0.293 486 Q C -1.438 174.531 176.000 -0.052 0.000 1.038 486 Q CA -1.174 54.663 55.803 0.055 0.000 0.777 486 Q CB 2.511 31.254 28.738 0.008 0.000 1.487 486 Q HN 0.325 nan 8.270 nan 0.000 0.426 487 I N 1.619 122.120 120.570 -0.115 0.000 2.575 487 I HA 0.077 4.247 4.170 0.000 0.000 0.285 487 I C 0.187 176.073 176.117 -0.385 0.000 1.085 487 I CA -0.141 61.039 61.300 -0.200 0.000 1.403 487 I CB 0.377 38.275 38.000 -0.171 0.000 1.409 487 I HN 0.602 nan 8.210 nan 0.000 0.557 488 E N 8.246 128.111 120.200 -0.557 0.000 2.606 488 E HA -0.052 4.298 4.350 0.000 0.000 0.248 488 E C -1.328 174.544 176.600 -1.214 0.000 1.005 488 E CA -0.695 55.023 56.400 -1.137 0.000 0.946 488 E CB 0.065 28.827 29.700 -1.563 0.000 0.928 488 E HN 0.382 nan 8.360 nan 0.000 0.494 489 P HA -0.215 nan 4.420 nan 0.000 0.216 489 P C 0.732 177.450 177.300 -0.970 0.000 1.154 489 P CA 1.570 64.043 63.100 -1.045 0.000 0.865 489 P CB -0.180 30.641 31.700 -1.464 0.000 0.789 490 W N 0.408 121.142 121.300 -0.942 0.000 2.982 490 W HA 0.204 4.864 4.660 0.000 0.000 0.239 490 W C 1.441 177.955 176.519 -0.009 0.000 1.303 490 W CA 0.085 57.212 57.345 -0.362 0.000 1.448 490 W CB -1.208 28.203 29.460 -0.083 0.000 1.133 490 W HN -0.050 nan 8.180 nan 0.000 0.698 491 K N -0.035 120.193 120.400 -0.286 0.000 2.365 491 K HA 0.066 4.386 4.320 0.000 0.000 0.195 491 K C 1.472 178.057 176.600 -0.026 0.000 1.079 491 K CA 1.267 57.506 56.287 -0.081 0.000 0.979 491 K CB 0.265 32.642 32.500 -0.205 0.000 0.929 491 K HN 0.203 nan 8.250 nan 0.000 0.523 492 T N -2.143 112.366 114.554 -0.075 0.000 3.182 492 T HA 0.111 4.461 4.350 0.000 0.000 0.277 492 T C -0.359 174.362 174.700 0.034 0.000 1.013 492 T CA -0.465 61.619 62.100 -0.027 0.000 0.900 492 T CB -0.236 68.589 68.868 -0.072 0.000 1.098 492 T HN 0.016 nan 8.240 nan 0.000 0.543 493 H N 1.309 120.377 119.070 -0.003 0.000 2.467 493 H HA 0.618 5.174 4.556 0.000 0.000 0.326 493 H C -0.588 174.786 175.328 0.077 0.000 1.094 493 H CA -1.259 54.791 56.048 0.004 0.000 1.253 493 H CB 0.604 30.384 29.762 0.031 0.000 1.439 493 H HN 0.310 nan 8.280 nan 0.000 0.479 494 I N 5.265 125.495 120.570 -0.567 0.000 2.312 494 I HA 0.143 4.313 4.170 0.000 0.000 0.290 494 I C -0.460 175.358 176.117 -0.497 0.000 1.008 494 I CA -0.744 60.383 61.300 -0.288 0.000 1.226 494 I CB 0.548 38.446 38.000 -0.170 0.000 1.371 494 I HN 0.449 nan 8.210 nan 0.000 0.468 495 W N 4.160 125.333 121.300 -0.211 0.000 2.184 495 W HA 0.497 5.158 4.660 0.000 0.000 0.338 495 W C 0.711 177.202 176.519 -0.046 0.000 1.257 495 W CA 0.213 57.521 57.345 -0.061 0.000 1.243 495 W CB 0.334 29.838 29.460 0.072 0.000 1.122 495 W HN 0.583 nan 8.180 nan 0.000 0.585 496 Q N 0.000 119.935 119.800 0.225 0.000 2.315 496 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 496 Q CA 0.000 55.878 55.803 0.125 0.000 1.022 496 Q CB 0.000 28.778 28.738 0.067 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481