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 3pfn_1_B DATA FIRST_RESID 69 DATA SEQUENCE CPVTTFGPKA CVLQNPQTIX HIQDPASQRL TWNKSPKSVL VIKKXRDASL DATA SEQUENCE LQPFKELCTH LXEENXIVYV EKKVLEDPAI ASDESFGAVK KKFCTFREDY DATA SEQUENCE DDISNQIDFI ICLGGDGTLL YASSLFQGSV PPVXAFHLGS LGFLTPFSFE DATA SEQUENCE NFQSQVTQVI EGNAAVVLRS RLKVRVVKXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXQAX QYQVLNEVVI DRGPXXXLSN VDVYLDGHLI TTVQGDGVIV DATA SEQUENCE STPTGSTAYA AAAGASXIHP NVPAIXITPI CPHSLSFRPI VVPAGVELKI DATA SEQUENCE XLSPEARNTA WVSFDGRKRQ EIRHGDSISI TTSCYPLPSI CVRDPVSDWF DATA SEQUENCE ESLAQCLHH 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 69 C HA 0.000 nan 4.460 nan 0.000 0.325 69 C C 0.000 174.983 174.990 -0.012 0.000 1.270 69 C CA 0.000 59.011 59.018 -0.012 0.000 1.963 69 C CB 0.000 27.731 27.740 -0.015 0.000 2.134 70 P HA 0.611 nan 4.420 nan 0.000 0.279 70 P C -0.142 177.138 177.300 -0.033 0.000 1.239 70 P CA -0.047 63.054 63.100 0.002 0.000 0.789 70 P CB 1.126 32.851 31.700 0.041 0.000 0.933 71 V N 2.582 122.452 119.914 -0.073 0.000 2.529 71 V HA 0.015 4.134 4.120 -0.001 0.000 0.292 71 V C 1.760 177.667 176.094 -0.311 0.000 1.028 71 V CA 0.724 62.927 62.300 -0.161 0.000 1.074 71 V CB 0.364 32.087 31.823 -0.166 0.000 0.958 71 V HN 0.898 nan 8.190 nan 0.000 0.481 72 T N -0.089 114.287 114.554 -0.298 0.000 3.107 72 T HA 0.044 4.393 4.350 -0.001 0.000 0.249 72 T C 0.642 174.987 174.700 -0.592 0.000 1.096 72 T CA 0.258 62.167 62.100 -0.319 0.000 1.012 72 T CB -0.375 68.441 68.868 -0.088 0.000 0.977 72 T HN 0.754 nan 8.240 nan 0.000 0.527 73 T N 0.437 114.576 114.554 -0.692 0.000 2.795 73 T HA 0.659 5.008 4.350 -0.001 0.000 0.282 73 T C -0.886 173.324 174.700 -0.818 0.000 0.980 73 T CA -0.882 60.895 62.100 -0.539 0.000 1.012 73 T CB 0.704 69.423 68.868 -0.247 0.000 0.936 73 T HN 0.114 nan 8.240 nan 0.000 0.457 74 F N 2.447 122.394 119.950 -0.005 0.000 2.443 74 F HA 0.638 5.164 4.527 -0.001 0.000 0.369 74 F C 1.268 177.066 175.800 -0.004 0.000 1.090 74 F CA -0.180 57.818 58.000 -0.005 0.000 1.129 74 F CB 0.833 39.830 39.000 -0.005 0.000 1.367 74 F HN 1.304 nan 8.300 nan 0.000 0.465 75 G N 3.662 112.507 108.800 0.076 0.000 2.632 75 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.224 75 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.224 75 G C -1.718 173.194 174.900 0.019 0.000 1.341 75 G CA -0.385 44.744 45.100 0.049 0.000 0.880 75 G HN 0.411 nan 8.290 nan 0.000 0.566 76 P HA 0.153 nan 4.420 nan 0.000 0.227 76 P C 1.167 178.473 177.300 0.011 0.000 1.161 76 P CA 1.328 64.432 63.100 0.007 0.000 0.788 76 P CB 0.138 31.843 31.700 0.008 0.000 0.822 77 K N -1.312 119.103 120.400 0.025 0.000 2.435 77 K HA 0.354 4.673 4.320 -0.001 0.000 0.199 77 K C 0.905 177.530 176.600 0.041 0.000 1.153 77 K CA -0.050 56.252 56.287 0.026 0.000 0.974 77 K CB 0.910 33.424 32.500 0.024 0.000 0.997 77 K HN 0.011 nan 8.250 nan 0.000 0.547 78 A N 0.844 123.706 122.820 0.070 0.000 2.269 78 A HA 0.711 5.031 4.320 -0.001 0.000 0.327 78 A C -0.167 177.503 177.584 0.144 0.000 1.112 78 A CA -0.528 51.574 52.037 0.108 0.000 0.865 78 A CB 0.658 19.739 19.000 0.135 0.000 1.227 78 A HN 0.433 nan 8.150 nan 0.000 0.498 79 C N -1.473 117.942 119.300 0.193 0.000 3.259 79 C HA 0.746 5.205 4.460 -0.001 0.000 0.344 79 C C -0.780 174.361 174.990 0.251 0.000 1.401 79 C CA -0.165 58.981 59.018 0.215 0.000 1.219 79 C CB 0.647 28.418 27.740 0.051 0.000 1.521 79 C HN 1.732 nan 8.230 nan 0.000 0.455 80 V N -0.442 119.627 119.914 0.260 0.000 2.398 80 V HA 0.834 4.953 4.120 -0.001 0.000 0.286 80 V C 0.511 176.661 176.094 0.094 0.000 1.026 80 V CA -0.062 62.346 62.300 0.179 0.000 0.868 80 V CB 0.446 32.400 31.823 0.219 0.000 0.982 80 V HN 2.162 nan 8.190 nan 0.000 0.443 81 L N 3.031 124.291 121.223 0.060 0.000 2.562 81 L HA 0.688 5.027 4.340 -0.001 0.000 0.271 81 L C 0.941 177.830 176.870 0.031 0.000 1.167 81 L CA 0.615 55.477 54.840 0.037 0.000 0.917 81 L CB -0.926 41.150 42.059 0.027 0.000 1.187 81 L HN 1.448 nan 8.230 nan 0.000 0.482 82 Q N 3.000 122.814 119.800 0.023 0.000 2.678 82 Q HA 0.466 4.805 4.340 -0.001 0.000 0.222 82 Q C 0.284 176.292 176.000 0.013 0.000 1.281 82 Q CA -0.086 55.726 55.803 0.016 0.000 0.994 82 Q CB -0.227 28.517 28.738 0.010 0.000 1.452 82 Q HN 1.246 nan 8.270 nan 0.000 0.570 83 N N 2.010 120.717 118.700 0.012 0.000 2.518 83 N HA 0.337 5.077 4.740 -0.001 0.000 0.283 83 N C -1.927 173.592 175.510 0.015 0.000 1.119 83 N CA -2.205 50.853 53.050 0.014 0.000 0.983 83 N CB 1.800 40.295 38.487 0.013 0.000 1.139 83 N HN 0.065 nan 8.380 nan 0.000 0.465 84 P HA -0.124 nan 4.420 nan 0.000 0.218 84 P C 0.997 178.323 177.300 0.043 0.000 1.148 84 P CA 1.967 65.094 63.100 0.045 0.000 0.822 84 P CB 0.019 31.748 31.700 0.049 0.000 0.784 85 Q N -0.422 119.394 119.800 0.026 0.000 2.472 85 Q HA -0.037 4.303 4.340 -0.001 0.000 0.208 85 Q C 1.800 177.804 176.000 0.006 0.000 0.958 85 Q CA 1.737 57.552 55.803 0.020 0.000 0.932 85 Q CB -1.599 27.148 28.738 0.016 0.000 1.007 85 Q HN 0.485 nan 8.270 nan 0.000 0.508 86 T N -4.474 110.078 114.554 -0.003 0.000 3.023 86 T HA 0.493 4.843 4.350 -0.001 0.000 0.249 86 T C 1.329 176.002 174.700 -0.046 0.000 1.050 86 T CA 0.577 62.667 62.100 -0.016 0.000 1.088 86 T CB -0.774 68.090 68.868 -0.007 0.000 0.946 86 T HN 0.833 nan 8.240 nan 0.000 0.480 90 I N 1.412 122.009 120.570 0.046 0.000 2.392 90 I HA 0.403 4.573 4.170 -0.001 0.000 0.295 90 I C 1.067 177.198 176.117 0.024 0.000 0.985 90 I CA -0.534 60.781 61.300 0.025 0.000 1.221 90 I CB 1.411 39.410 38.000 -0.002 0.000 1.366 90 I HN 0.530 nan 8.210 nan 0.000 0.467 91 Q N 3.639 123.449 119.800 0.018 0.000 2.352 91 Q HA 0.109 4.449 4.340 -0.001 0.000 0.260 91 Q C -0.089 175.913 176.000 0.003 0.000 0.976 91 Q CA -0.525 55.284 55.803 0.011 0.000 0.881 91 Q CB 0.350 29.090 28.738 0.005 0.000 1.235 91 Q HN 0.671 nan 8.270 nan 0.000 0.419 92 D N 2.584 122.984 120.400 0.001 0.000 2.472 92 D HA 0.030 4.670 4.640 -0.001 0.000 0.248 92 D C -1.512 174.785 176.300 -0.006 0.000 1.174 92 D CA -1.640 52.357 54.000 -0.006 0.000 0.883 92 D CB 1.375 42.172 40.800 -0.006 0.000 1.149 92 D HN 0.321 nan 8.370 nan 0.000 0.488 93 P HA -0.040 nan 4.420 nan 0.000 0.222 93 P C 0.635 177.939 177.300 0.006 0.000 1.147 93 P CA 0.846 63.945 63.100 -0.002 0.000 0.790 93 P CB 0.263 31.957 31.700 -0.009 0.000 0.780 94 A N -1.016 121.801 122.820 -0.005 0.000 2.132 94 A HA 0.049 4.369 4.320 -0.001 0.000 0.213 94 A C 1.900 179.490 177.584 0.009 0.000 1.154 94 A CA 1.062 53.100 52.037 0.001 0.000 0.753 94 A CB -0.630 18.359 19.000 -0.018 0.000 0.826 94 A HN 0.119 nan 8.150 nan 0.000 0.469 95 S N 0.013 115.716 115.700 0.004 0.000 2.539 95 S HA 0.132 4.601 4.470 -0.001 0.000 0.221 95 S C 0.420 175.022 174.600 0.004 0.000 0.987 95 S CA -0.419 57.784 58.200 0.005 0.000 0.929 95 S CB 0.139 63.340 63.200 0.001 0.000 0.832 95 S HN 0.643 nan 8.310 nan 0.000 0.492 96 Q N 2.203 122.006 119.800 0.004 0.000 2.337 96 Q HA 0.244 4.583 4.340 -0.001 0.000 0.270 96 Q C -0.108 175.889 176.000 -0.004 0.000 1.002 96 Q CA 0.392 56.193 55.803 -0.003 0.000 0.888 96 Q CB 0.522 29.259 28.738 -0.002 0.000 1.222 96 Q HN 0.185 nan 8.270 nan 0.000 0.400 97 R N 0.930 121.419 120.500 -0.019 0.000 2.795 97 R HA 0.465 4.805 4.340 -0.001 0.000 0.275 97 R C -0.969 175.290 176.300 -0.068 0.000 0.981 97 R CA -0.891 55.193 56.100 -0.026 0.000 0.917 97 R CB 1.267 31.557 30.300 -0.016 0.000 1.202 97 R HN 0.396 nan 8.270 nan 0.000 0.469 98 L N 1.155 122.317 121.223 -0.100 0.000 2.350 98 L HA 0.587 4.926 4.340 -0.001 0.000 0.275 98 L C -0.366 176.347 176.870 -0.261 0.000 1.099 98 L CA 0.164 54.870 54.840 -0.222 0.000 0.808 98 L CB 1.265 43.156 42.059 -0.280 0.000 1.149 98 L HN 0.801 nan 8.230 nan 0.000 0.442 99 T N 2.960 117.301 114.554 -0.354 0.000 2.881 99 T HA 0.442 4.792 4.350 -0.001 0.000 0.290 99 T C -1.173 173.294 174.700 -0.389 0.000 1.000 99 T CA -0.150 61.793 62.100 -0.261 0.000 0.978 99 T CB 1.018 69.815 68.868 -0.118 0.000 0.997 99 T HN 0.740 nan 8.240 nan 0.000 0.443 100 W N 2.573 123.854 121.300 -0.031 0.000 2.316 100 W HA 0.381 5.041 4.660 -0.001 0.000 0.308 100 W C 1.068 177.575 176.519 -0.019 0.000 1.106 100 W CA -0.598 56.727 57.345 -0.033 0.000 1.262 100 W CB 0.236 29.665 29.460 -0.051 0.000 1.233 100 W HN 0.743 nan 8.180 nan 0.000 0.447 101 N N 2.216 121.021 118.700 0.174 0.000 2.331 101 N HA -0.026 4.714 4.740 -0.001 0.000 0.180 101 N C 0.606 176.189 175.510 0.122 0.000 1.019 101 N CA 1.017 54.133 53.050 0.111 0.000 0.881 101 N CB 0.077 38.606 38.487 0.071 0.000 0.972 101 N HN 0.370 nan 8.380 nan 0.000 0.435 102 K N 0.092 120.594 120.400 0.169 0.000 2.502 102 K HA 0.479 4.799 4.320 -0.001 0.000 0.257 102 K C -0.720 175.943 176.600 0.105 0.000 0.938 102 K CA -0.709 55.645 56.287 0.112 0.000 0.819 102 K CB 1.371 33.920 32.500 0.083 0.000 1.333 102 K HN -0.053 nan 8.250 nan 0.000 0.434 103 S N 3.149 118.842 115.700 -0.012 0.000 2.537 103 S HA 0.340 4.809 4.470 -0.001 0.000 0.286 103 S C -1.889 172.570 174.600 -0.235 0.000 1.299 103 S CA -0.840 57.254 58.200 -0.177 0.000 1.067 103 S CB 0.152 63.262 63.200 -0.151 0.000 0.864 103 S HN 0.579 nan 8.310 nan 0.000 0.494 104 P HA 0.310 nan 4.420 nan 0.000 0.271 104 P C 0.055 177.266 177.300 -0.148 0.000 1.216 104 P CA -0.178 62.711 63.100 -0.352 0.000 0.776 104 P CB 0.853 32.137 31.700 -0.692 0.000 0.881 105 K N 0.366 120.753 120.400 -0.021 0.000 2.436 105 K HA 0.205 4.524 4.320 -0.001 0.000 0.198 105 K C 1.068 177.719 176.600 0.085 0.000 1.174 105 K CA 0.758 57.057 56.287 0.021 0.000 0.951 105 K CB -0.135 32.382 32.500 0.028 0.000 1.040 105 K HN 0.693 nan 8.250 nan 0.000 0.536 106 S N 0.314 116.085 115.700 0.119 0.000 2.454 106 S HA 0.713 5.182 4.470 -0.001 0.000 0.306 106 S C -0.437 174.245 174.600 0.137 0.000 1.100 106 S CA -0.580 57.721 58.200 0.169 0.000 1.087 106 S CB 1.547 64.837 63.200 0.150 0.000 1.019 106 S HN 0.228 nan 8.310 nan 0.000 0.480 107 V N 3.404 123.401 119.914 0.138 0.000 2.540 107 V HA 0.540 4.659 4.120 -0.001 0.000 0.302 107 V C -0.638 175.500 176.094 0.074 0.000 1.035 107 V CA -0.851 61.438 62.300 -0.019 0.000 0.873 107 V CB 1.447 33.210 31.823 -0.101 0.000 0.992 107 V HN 0.921 nan 8.190 nan 0.000 0.428 108 L N 6.044 127.264 121.223 -0.005 0.000 2.272 108 L HA 0.685 5.025 4.340 -0.001 0.000 0.289 108 L C -0.477 176.483 176.870 0.150 0.000 1.032 108 L CA 0.178 55.105 54.840 0.145 0.000 0.810 108 L CB 1.477 43.616 42.059 0.134 0.000 1.205 108 L HN 0.472 nan 8.230 nan 0.000 0.422 109 V N 7.062 127.139 119.914 0.273 0.000 2.370 109 V HA 0.473 4.593 4.120 -0.001 0.000 0.283 109 V C 0.107 176.402 176.094 0.335 0.000 1.023 109 V CA -0.339 62.129 62.300 0.280 0.000 0.857 109 V CB 1.317 33.326 31.823 0.310 0.000 0.985 109 V HN 0.630 nan 8.190 nan 0.000 0.443 110 I N 5.866 126.604 120.570 0.281 0.000 2.406 110 I HA 0.549 4.718 4.170 -0.001 0.000 0.290 110 I C -0.179 176.040 176.117 0.171 0.000 0.999 110 I CA -0.534 60.916 61.300 0.248 0.000 1.124 110 I CB 1.784 39.970 38.000 0.311 0.000 1.289 110 I HN 0.673 nan 8.210 nan 0.000 0.441 111 K N 4.565 125.001 120.400 0.061 0.000 2.371 111 K HA 0.549 4.868 4.320 -0.001 0.000 0.251 111 K C -0.521 176.038 176.600 -0.069 0.000 0.934 111 K CA -0.866 55.420 56.287 -0.002 0.000 0.798 111 K CB 2.353 34.814 32.500 -0.066 0.000 1.204 111 K HN 0.203 nan 8.250 nan 0.000 0.427 115 D N -0.658 119.688 120.400 -0.090 0.000 2.473 115 D HA 0.624 5.264 4.640 -0.001 0.000 0.253 115 D C 1.206 177.452 176.300 -0.090 0.000 1.233 115 D CA 0.612 54.566 54.000 -0.077 0.000 0.908 115 D CB 1.444 42.203 40.800 -0.068 0.000 1.170 115 D HN 0.726 nan 8.370 nan 0.000 0.558 116 A N 2.205 124.978 122.820 -0.078 0.000 2.015 116 A HA 0.088 4.408 4.320 -0.001 0.000 0.219 116 A C 2.537 180.071 177.584 -0.084 0.000 1.163 116 A CA 1.998 53.987 52.037 -0.080 0.000 0.646 116 A CB -0.801 18.162 19.000 -0.063 0.000 0.806 116 A HN 0.834 nan 8.150 nan 0.000 0.448 117 S N -0.121 115.532 115.700 -0.078 0.000 2.419 117 S HA 0.051 4.521 4.470 -0.001 0.000 0.233 117 S C 1.745 176.271 174.600 -0.123 0.000 1.016 117 S CA 1.433 59.583 58.200 -0.084 0.000 0.974 117 S CB -0.481 62.680 63.200 -0.064 0.000 0.786 117 S HN 0.437 nan 8.310 nan 0.000 0.492 118 L N 0.809 121.953 121.223 -0.133 0.000 2.558 118 L HA 0.044 4.384 4.340 -0.001 0.000 0.225 118 L C 2.193 178.970 176.870 -0.155 0.000 1.128 118 L CA -0.072 54.666 54.840 -0.170 0.000 0.868 118 L CB -0.187 41.788 42.059 -0.139 0.000 1.006 118 L HN 0.295 nan 8.230 nan 0.000 0.454 119 L N -0.276 120.866 121.223 -0.135 0.000 1.994 119 L HA -0.243 4.097 4.340 -0.001 0.000 0.208 119 L C 3.312 180.115 176.870 -0.112 0.000 1.071 119 L CA 2.323 57.094 54.840 -0.115 0.000 0.745 119 L CB -2.047 39.943 42.059 -0.114 0.000 0.892 119 L HN 0.623 nan 8.230 nan 0.000 0.431 120 Q N -0.126 119.591 119.800 -0.139 0.000 2.020 120 Q HA -0.192 4.148 4.340 -0.001 0.000 0.202 120 Q C 0.639 176.519 176.000 -0.202 0.000 0.982 120 Q CA 2.061 57.776 55.803 -0.146 0.000 0.838 120 Q CB -2.560 26.116 28.738 -0.103 0.000 0.899 120 Q HN 0.639 nan 8.270 nan 0.000 0.423 121 P HA -0.116 nan 4.420 nan 0.000 0.216 121 P C 1.230 178.233 177.300 -0.494 0.000 1.150 121 P CA 1.139 63.792 63.100 -0.744 0.000 0.837 121 P CB -0.295 30.644 31.700 -1.268 0.000 0.786 122 F N 1.288 121.001 119.950 -0.395 0.000 2.075 122 F HA -0.225 4.301 4.527 -0.001 0.000 0.297 122 F C 2.462 178.186 175.800 -0.126 0.000 1.113 122 F CA 2.841 60.715 58.000 -0.211 0.000 1.218 122 F CB -1.012 37.896 39.000 -0.152 0.000 0.984 122 F HN -0.191 nan 8.300 nan 0.000 0.472 123 K N 0.420 120.670 120.400 -0.249 0.000 2.032 123 K HA -0.215 4.105 4.320 -0.001 0.000 0.209 123 K C 1.939 178.422 176.600 -0.195 0.000 1.048 123 K CA 1.977 57.926 56.287 -0.562 0.000 0.927 123 K CB -1.350 30.644 32.500 -0.844 0.000 0.712 123 K HN 0.642 nan 8.250 nan 0.000 0.441 124 E N -0.300 119.838 120.200 -0.104 0.000 2.038 124 E HA -0.151 4.198 4.350 -0.001 0.000 0.195 124 E C 2.152 178.843 176.600 0.151 0.000 1.000 124 E CA 1.306 57.752 56.400 0.076 0.000 0.803 124 E CB -0.182 29.604 29.700 0.143 0.000 0.750 124 E HN 0.397 nan 8.360 nan 0.000 0.448 125 L N 0.627 121.831 121.223 -0.031 0.000 2.046 125 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 125 L C 2.211 179.138 176.870 0.094 0.000 1.077 125 L CA 1.679 56.535 54.840 0.026 0.000 0.747 125 L CB -0.390 41.592 42.059 -0.129 0.000 0.896 125 L HN 0.206 nan 8.230 nan 0.000 0.432 126 C N -0.948 118.313 119.300 -0.065 0.000 2.440 126 C HA -0.120 4.339 4.460 -0.001 0.000 0.278 126 C C 2.607 177.588 174.990 -0.015 0.000 1.295 126 C CA 1.297 60.274 59.018 -0.068 0.000 1.738 126 C CB -1.327 26.351 27.740 -0.102 0.000 1.987 126 C HN 0.630 nan 8.230 nan 0.000 0.492 127 T N -0.720 113.890 114.554 0.093 0.000 2.746 127 T HA -0.214 4.135 4.350 -0.001 0.000 0.267 127 T C 1.796 176.546 174.700 0.085 0.000 1.039 127 T CA 1.661 63.816 62.100 0.092 0.000 1.142 127 T CB -0.556 68.403 68.868 0.152 0.000 0.866 127 T HN 0.682 nan 8.240 nan 0.000 0.444 128 H N 1.075 120.196 119.070 0.085 0.000 2.321 128 H HA 0.067 4.623 4.556 -0.001 0.000 0.300 128 H C 1.075 176.429 175.328 0.043 0.000 1.087 128 H CA 0.730 56.825 56.048 0.079 0.000 1.319 128 H CB -0.502 29.361 29.762 0.169 0.000 1.379 128 H HN 0.244 nan 8.280 nan 0.000 0.501 132 E N 0.985 121.045 120.200 -0.232 0.000 2.368 132 E HA 0.282 4.631 4.350 -0.001 0.000 0.188 132 E C 0.906 177.431 176.600 -0.126 0.000 1.061 132 E CA 0.645 56.919 56.400 -0.210 0.000 0.933 132 E CB -0.855 28.662 29.700 -0.306 0.000 1.091 132 E HN 1.001 nan 8.360 nan 0.000 0.458 136 V N 6.082 126.065 119.914 0.116 0.000 2.364 136 V HA 0.564 4.683 4.120 -0.001 0.000 0.272 136 V C -0.112 176.217 176.094 0.391 0.000 1.036 136 V CA -0.726 61.716 62.300 0.236 0.000 0.880 136 V CB 0.709 32.591 31.823 0.099 0.000 0.991 136 V HN 0.746 nan 8.190 nan 0.000 0.460 137 Y N 3.806 124.284 120.300 0.296 0.000 2.334 137 Y HA 0.682 5.232 4.550 -0.001 0.000 0.328 137 Y C 0.328 176.473 175.900 0.409 0.000 1.130 137 Y CA -0.617 57.698 58.100 0.359 0.000 1.163 137 Y CB 2.052 40.688 38.460 0.293 0.000 1.207 137 Y HN 0.563 nan 8.280 nan 0.000 0.471 138 V N -0.665 119.546 119.914 0.495 0.000 3.147 138 V HA 0.516 4.636 4.120 -0.001 0.000 0.306 138 V C -0.953 175.118 176.094 -0.038 0.000 1.209 138 V CA -1.376 61.084 62.300 0.266 0.000 1.023 138 V CB 1.772 33.571 31.823 -0.039 0.000 1.059 138 V HN 0.675 nan 8.190 nan 0.000 0.435 139 E N 2.499 122.504 120.200 -0.325 0.000 2.360 139 E HA 0.479 4.828 4.350 -0.001 0.000 0.269 139 E C 1.267 177.592 176.600 -0.458 0.000 1.022 139 E CA 0.590 56.480 56.400 -0.851 0.000 0.887 139 E CB 1.647 31.039 29.700 -0.513 0.000 0.990 139 E HN 1.050 nan 8.360 nan 0.000 0.426 140 K N 3.925 124.079 120.400 -0.410 0.000 2.107 140 K HA -0.300 4.019 4.320 -0.001 0.000 0.211 140 K C 2.282 178.765 176.600 -0.196 0.000 1.049 140 K CA 3.012 59.163 56.287 -0.228 0.000 0.927 140 K CB -1.850 30.561 32.500 -0.148 0.000 0.714 140 K HN 0.712 nan 8.250 nan 0.000 0.452 141 K N 0.519 120.797 120.400 -0.204 0.000 2.152 141 K HA 0.051 4.370 4.320 -0.001 0.000 0.206 141 K C 2.484 178.969 176.600 -0.192 0.000 1.048 141 K CA 1.608 57.792 56.287 -0.173 0.000 0.933 141 K CB -1.064 31.335 32.500 -0.168 0.000 0.721 141 K HN 0.376 nan 8.250 nan 0.000 0.447 142 V N 1.198 120.967 119.914 -0.241 0.000 2.343 142 V HA -0.213 3.906 4.120 -0.001 0.000 0.247 142 V C 2.463 178.403 176.094 -0.257 0.000 1.051 142 V CA 1.811 63.937 62.300 -0.291 0.000 1.036 142 V CB -0.420 31.191 31.823 -0.352 0.000 0.654 142 V HN 0.543 nan 8.190 nan 0.000 0.451 143 L N -0.580 120.513 121.223 -0.216 0.000 2.395 143 L HA -0.039 4.300 4.340 -0.001 0.000 0.218 143 L C 2.393 179.213 176.870 -0.083 0.000 1.130 143 L CA 0.937 55.695 54.840 -0.137 0.000 0.826 143 L CB -0.512 41.456 42.059 -0.153 0.000 0.941 143 L HN 0.394 nan 8.230 nan 0.000 0.451 144 E N 0.007 120.147 120.200 -0.100 0.000 2.208 144 E HA -0.148 4.201 4.350 -0.001 0.000 0.193 144 E C 0.496 177.056 176.600 -0.066 0.000 0.988 144 E CA 0.077 56.434 56.400 -0.072 0.000 0.828 144 E CB 0.038 29.691 29.700 -0.078 0.000 0.763 144 E HN 0.307 nan 8.360 nan 0.000 0.478 145 D N 1.222 121.569 120.400 -0.089 0.000 2.531 145 D HA -0.071 4.568 4.640 -0.001 0.000 0.239 145 D C -1.441 174.828 176.300 -0.051 0.000 1.144 145 D CA -1.266 52.683 54.000 -0.085 0.000 0.869 145 D CB 0.962 41.687 40.800 -0.125 0.000 1.160 145 D HN -0.108 nan 8.370 nan 0.000 0.484 146 P HA -0.192 nan 4.420 nan 0.000 0.219 146 P C 0.956 178.247 177.300 -0.015 0.000 1.146 146 P CA 1.305 64.392 63.100 -0.023 0.000 0.808 146 P CB 0.012 31.697 31.700 -0.025 0.000 0.779 147 A N 0.037 122.838 122.820 -0.031 0.000 1.933 147 A HA -0.058 4.262 4.320 -0.001 0.000 0.218 147 A C 2.572 180.156 177.584 0.001 0.000 1.175 147 A CA 2.406 54.425 52.037 -0.029 0.000 0.628 147 A CB -1.664 17.300 19.000 -0.061 0.000 0.814 147 A HN 0.225 nan 8.150 nan 0.000 0.444 148 I N -1.439 119.142 120.570 0.018 0.000 2.429 148 I HA 0.378 4.547 4.170 -0.001 0.000 0.247 148 I C 2.787 178.995 176.117 0.151 0.000 1.099 148 I CA 1.731 63.105 61.300 0.124 0.000 1.422 148 I CB -1.809 36.260 38.000 0.115 0.000 1.112 148 I HN 0.507 nan 8.210 nan 0.000 0.430 149 A N 0.655 123.519 122.820 0.073 0.000 1.908 149 A HA -0.064 4.256 4.320 -0.001 0.000 0.218 149 A C 2.712 180.331 177.584 0.058 0.000 1.181 149 A CA 2.708 54.779 52.037 0.056 0.000 0.627 149 A CB -1.182 17.829 19.000 0.018 0.000 0.818 149 A HN 1.200 nan 8.150 nan 0.000 0.445 150 S N -0.439 115.289 115.700 0.046 0.000 2.406 150 S HA 0.242 4.711 4.470 -0.001 0.000 0.228 150 S C 1.148 175.782 174.600 0.057 0.000 1.020 150 S CA 1.169 59.393 58.200 0.039 0.000 0.965 150 S CB -1.097 62.116 63.200 0.021 0.000 0.798 150 S HN 0.826 nan 8.310 nan 0.000 0.488 151 D N 0.929 121.381 120.400 0.086 0.000 2.349 151 D HA 0.495 5.135 4.640 -0.001 0.000 0.266 151 D C 0.914 177.295 176.300 0.135 0.000 1.293 151 D CA 0.434 54.500 54.000 0.109 0.000 0.926 151 D CB -0.699 40.181 40.800 0.135 0.000 1.090 151 D HN 0.686 nan 8.370 nan 0.000 0.502 152 E N 0.259 120.515 120.200 0.094 0.000 2.152 152 E HA -0.104 4.246 4.350 -0.001 0.000 0.192 152 E C 2.419 179.078 176.600 0.098 0.000 0.983 152 E CA 1.454 57.903 56.400 0.081 0.000 0.818 152 E CB -0.717 29.015 29.700 0.052 0.000 0.758 152 E HN 0.819 nan 8.360 nan 0.000 0.467 153 S N -0.281 115.487 115.700 0.114 0.000 2.382 153 S HA -0.082 4.387 4.470 -0.001 0.000 0.228 153 S C 1.801 176.522 174.600 0.202 0.000 1.027 153 S CA 1.204 59.479 58.200 0.126 0.000 0.991 153 S CB -0.487 62.778 63.200 0.108 0.000 0.823 153 S HN 0.474 nan 8.310 nan 0.000 0.469 154 F N 3.394 123.375 119.950 0.052 0.000 2.802 154 F HA 0.355 4.881 4.527 -0.001 0.000 0.300 154 F C 2.070 177.918 175.800 0.080 0.000 1.168 154 F CA -0.789 57.256 58.000 0.075 0.000 1.433 154 F CB -0.931 38.139 39.000 0.117 0.000 1.115 154 F HN 0.262 nan 8.300 nan 0.000 0.582 155 G N 0.323 109.168 108.800 0.075 0.000 2.459 155 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.217 155 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.217 155 G C 1.969 176.824 174.900 -0.074 0.000 1.183 155 G CA 0.932 46.027 45.100 -0.008 0.000 0.776 155 G HN 0.474 nan 8.290 nan 0.000 0.552 156 A N 0.460 123.246 122.820 -0.056 0.000 1.892 156 A HA 0.164 4.483 4.320 -0.001 0.000 0.218 156 A C 2.792 180.281 177.584 -0.158 0.000 1.188 156 A CA 2.919 54.910 52.037 -0.077 0.000 0.631 156 A CB -0.954 18.021 19.000 -0.041 0.000 0.822 156 A HN 1.045 nan 8.150 nan 0.000 0.447 157 V N -0.432 119.333 119.914 -0.248 0.000 2.323 157 V HA -0.184 3.935 4.120 -0.001 0.000 0.244 157 V C 2.429 178.174 176.094 -0.582 0.000 1.041 157 V CA 2.850 64.878 62.300 -0.453 0.000 1.025 157 V CB -0.758 30.789 31.823 -0.460 0.000 0.656 157 V HN 0.510 nan 8.190 nan 0.000 0.451 158 K N 0.480 120.569 120.400 -0.519 0.000 2.113 158 K HA -0.251 4.069 4.320 -0.001 0.000 0.208 158 K C 2.356 178.983 176.600 0.045 0.000 1.047 158 K CA 2.268 58.489 56.287 -0.110 0.000 0.928 158 K CB -0.211 32.212 32.500 -0.127 0.000 0.716 158 K HN 0.604 nan 8.250 nan 0.000 0.446 159 K N 0.345 120.707 120.400 -0.065 0.000 2.296 159 K HA -0.048 4.271 4.320 -0.001 0.000 0.200 159 K C 2.049 178.618 176.600 -0.052 0.000 1.048 159 K CA 1.702 57.967 56.287 -0.037 0.000 0.966 159 K CB -0.803 31.668 32.500 -0.048 0.000 0.754 159 K HN 0.407 nan 8.250 nan 0.000 0.466 160 K N -0.085 120.234 120.400 -0.136 0.000 2.426 160 K HA 0.377 4.697 4.320 -0.001 0.000 0.193 160 K C 0.431 176.935 176.600 -0.161 0.000 1.028 160 K CA 0.021 56.208 56.287 -0.167 0.000 1.047 160 K CB -0.504 31.859 32.500 -0.228 0.000 0.821 160 K HN 0.411 nan 8.250 nan 0.000 0.513 161 F N 0.191 120.075 119.950 -0.109 0.000 2.459 161 F HA 0.248 4.774 4.527 -0.001 0.000 0.346 161 F C 0.840 176.563 175.800 -0.128 0.000 1.128 161 F CA -1.076 56.869 58.000 -0.090 0.000 1.268 161 F CB 0.856 39.828 39.000 -0.046 0.000 1.161 161 F HN 0.034 nan 8.300 nan 0.000 0.583 162 C N 2.447 121.748 119.300 0.001 0.000 2.265 162 C HA 0.493 4.952 4.460 -0.001 0.000 0.332 162 C C 0.278 175.226 174.990 -0.071 0.000 1.248 162 C CA -0.908 57.965 59.018 -0.241 0.000 1.727 162 C CB -0.800 26.412 27.740 -0.881 0.000 2.348 162 C HN 0.825 nan 8.230 nan 0.000 0.519 163 T N 1.049 115.612 114.554 0.015 0.000 2.902 163 T HA 0.799 5.148 4.350 -0.001 0.000 0.283 163 T C -0.670 174.131 174.700 0.169 0.000 1.009 163 T CA -0.430 61.703 62.100 0.056 0.000 1.051 163 T CB 1.238 70.087 68.868 -0.032 0.000 0.999 163 T HN 0.615 nan 8.240 nan 0.000 0.474 164 F N -1.932 118.078 119.950 0.100 0.000 2.603 164 F HA 0.893 5.420 4.527 -0.001 0.000 0.317 164 F C -0.245 175.611 175.800 0.094 0.000 1.066 164 F CA -1.709 56.362 58.000 0.119 0.000 0.941 164 F CB 0.948 40.051 39.000 0.171 0.000 1.291 164 F HN 0.830 nan 8.300 nan 0.000 0.472 165 R N 0.990 121.580 120.500 0.149 0.000 2.229 165 R HA 0.489 4.828 4.340 -0.001 0.000 0.332 165 R C 0.603 176.974 176.300 0.118 0.000 0.989 165 R CA -0.057 56.070 56.100 0.044 0.000 0.842 165 R CB 0.375 30.794 30.300 0.199 0.000 1.119 165 R HN 0.954 nan 8.270 nan 0.000 0.456 166 E N 1.566 121.777 120.200 0.019 0.000 2.068 166 E HA -0.299 4.051 4.350 -0.001 0.000 0.207 166 E C 1.955 178.572 176.600 0.029 0.000 1.032 166 E CA 3.064 59.549 56.400 0.142 0.000 0.839 166 E CB -0.345 29.424 29.700 0.115 0.000 0.758 166 E HN 0.947 nan 8.360 nan 0.000 0.457 167 D N -2.654 117.639 120.400 -0.178 0.000 2.348 167 D HA 0.066 4.706 4.640 -0.001 0.000 0.211 167 D C 1.522 177.700 176.300 -0.203 0.000 0.998 167 D CA 0.840 54.685 54.000 -0.259 0.000 0.873 167 D CB -0.284 40.259 40.800 -0.429 0.000 0.925 167 D HN 0.560 nan 8.370 nan 0.000 0.524 168 Y N 0.298 120.636 120.300 0.063 0.000 2.607 168 Y HA 0.240 4.789 4.550 -0.001 0.000 0.276 168 Y C 0.262 176.193 175.900 0.053 0.000 1.117 168 Y CA -0.739 57.390 58.100 0.048 0.000 1.273 168 Y CB 0.328 38.815 38.460 0.044 0.000 1.282 168 Y HN 0.004 nan 8.280 nan 0.000 0.514 169 D N 0.785 121.326 120.400 0.235 0.000 2.168 169 D HA 0.134 4.774 4.640 -0.001 0.000 0.246 169 D C -0.965 175.373 176.300 0.064 0.000 1.050 169 D CA -0.213 53.892 54.000 0.175 0.000 0.857 169 D CB 1.731 42.688 40.800 0.262 0.000 1.169 169 D HN 0.013 nan 8.370 nan 0.000 0.453 170 D N 1.873 122.267 120.400 -0.010 0.000 2.427 170 D HA 0.167 4.806 4.640 -0.001 0.000 0.226 170 D C 0.823 177.028 176.300 -0.157 0.000 1.076 170 D CA -0.504 53.426 54.000 -0.117 0.000 0.849 170 D CB 0.602 41.347 40.800 -0.092 0.000 1.052 170 D HN 0.419 nan 8.370 nan 0.000 0.515 171 I N 0.432 120.811 120.570 -0.318 0.000 3.956 171 I HA 0.115 4.285 4.170 -0.001 0.000 0.333 171 I C 1.410 177.328 176.117 -0.332 0.000 1.302 171 I CA -0.404 60.687 61.300 -0.348 0.000 1.122 171 I CB 0.265 37.920 38.000 -0.575 0.000 1.013 171 I HN -0.015 nan 8.210 nan 0.000 0.405 172 S N 2.425 117.899 115.700 -0.377 0.000 2.400 172 S HA -0.245 4.225 4.470 -0.001 0.000 0.234 172 S C 1.245 175.886 174.600 0.068 0.000 1.049 172 S CA 2.545 60.609 58.200 -0.227 0.000 1.039 172 S CB -0.685 62.391 63.200 -0.207 0.000 0.856 172 S HN 0.737 nan 8.310 nan 0.000 0.465 173 N N -0.311 118.384 118.700 -0.008 0.000 2.204 173 N HA 0.193 4.932 4.740 -0.001 0.000 0.219 173 N C 1.128 176.643 175.510 0.009 0.000 1.151 173 N CA -0.117 52.944 53.050 0.019 0.000 0.867 173 N CB 0.435 38.923 38.487 0.001 0.000 1.043 173 N HN 0.374 nan 8.380 nan 0.000 0.516 174 Q N -0.052 119.727 119.800 -0.035 0.000 2.392 174 Q HA 0.200 4.540 4.340 -0.001 0.000 0.219 174 Q C -0.179 175.724 176.000 -0.162 0.000 0.895 174 Q CA 0.355 56.108 55.803 -0.083 0.000 0.929 174 Q CB 1.116 29.779 28.738 -0.126 0.000 1.077 174 Q HN 0.261 nan 8.270 nan 0.000 0.532 175 I N 1.915 122.413 120.570 -0.121 0.000 2.325 175 I HA 0.046 4.216 4.170 -0.001 0.000 0.291 175 I C 0.416 176.543 176.117 0.016 0.000 1.019 175 I CA 0.022 61.262 61.300 -0.101 0.000 1.302 175 I CB 1.160 39.157 38.000 -0.005 0.000 1.401 175 I HN 0.019 nan 8.210 nan 0.000 0.485 176 D N 5.698 126.152 120.400 0.091 0.000 2.216 176 D HA 0.058 4.698 4.640 -0.001 0.000 0.208 176 D C 0.199 176.765 176.300 0.443 0.000 0.960 176 D CA 1.332 55.477 54.000 0.242 0.000 0.861 176 D CB 0.458 41.387 40.800 0.215 0.000 0.985 176 D HN 0.535 nan 8.370 nan 0.000 0.493 177 F N -0.916 119.110 119.950 0.127 0.000 2.719 177 F HA 0.511 5.038 4.527 -0.001 0.000 0.309 177 F C -2.016 173.829 175.800 0.074 0.000 1.138 177 F CA -1.289 56.800 58.000 0.148 0.000 0.943 177 F CB 1.025 40.249 39.000 0.373 0.000 1.304 177 F HN -0.367 nan 8.300 nan 0.000 0.445 178 I N 3.568 124.053 120.570 -0.141 0.000 2.441 178 I HA 0.514 4.683 4.170 -0.001 0.000 0.295 178 I C -0.775 175.229 176.117 -0.188 0.000 0.994 178 I CA -0.838 60.352 61.300 -0.184 0.000 1.144 178 I CB 2.021 39.988 38.000 -0.055 0.000 1.314 178 I HN 0.506 nan 8.210 nan 0.000 0.445 179 I N 4.753 125.244 120.570 -0.131 0.000 2.436 179 I HA 0.385 4.555 4.170 -0.001 0.000 0.289 179 I C -0.870 175.351 176.117 0.173 0.000 1.010 179 I CA -0.470 60.861 61.300 0.052 0.000 1.098 179 I CB 1.826 39.865 38.000 0.066 0.000 1.266 179 I HN 0.519 nan 8.210 nan 0.000 0.434 180 C N 6.774 126.223 119.300 0.249 0.000 2.329 180 C HA 0.578 5.037 4.460 -0.001 0.000 0.329 180 C C 0.097 175.261 174.990 0.291 0.000 1.275 180 C CA -0.656 58.511 59.018 0.248 0.000 1.726 180 C CB 0.707 28.583 27.740 0.226 0.000 2.291 180 C HN 0.549 nan 8.230 nan 0.000 0.514 181 L N 4.087 125.431 121.223 0.203 0.000 2.294 181 L HA 0.680 5.019 4.340 -0.001 0.000 0.283 181 L C 0.666 177.594 176.870 0.096 0.000 1.015 181 L CA 0.509 55.428 54.840 0.132 0.000 0.831 181 L CB 0.674 42.752 42.059 0.032 0.000 1.217 181 L HN 1.098 nan 8.230 nan 0.000 0.420 182 G N 2.075 110.952 108.800 0.128 0.000 2.756 182 G HA2 0.020 3.980 3.960 -0.001 0.000 0.678 182 G HA3 0.020 3.980 3.960 -0.001 0.000 0.678 182 G C -0.052 174.930 174.900 0.138 0.000 1.349 182 G CA -0.490 44.675 45.100 0.110 0.000 0.847 182 G HN 0.874 nan 8.290 nan 0.000 0.548 183 G N -1.248 107.624 108.800 0.121 0.000 2.829 183 G HA2 0.853 4.812 3.960 -0.001 0.000 0.173 183 G HA3 0.853 4.812 3.960 -0.001 0.000 0.173 183 G C 0.936 175.896 174.900 0.100 0.000 1.476 183 G CA 2.101 47.275 45.100 0.124 0.000 1.072 183 G HN 2.663 nan 8.290 nan 0.000 0.577 184 D N -2.176 118.282 120.400 0.095 0.000 3.798 184 D HA -0.108 4.531 4.640 -0.001 0.000 0.150 184 D C 1.881 178.237 176.300 0.092 0.000 0.953 184 D CA 1.926 55.974 54.000 0.079 0.000 1.089 184 D CB -1.594 39.236 40.800 0.050 0.000 0.535 184 D HN 1.641 nan 8.370 nan 0.000 0.563 185 G N -0.932 107.915 108.800 0.078 0.000 2.956 185 G HA2 0.286 4.245 3.960 -0.001 0.000 0.207 185 G HA3 0.286 4.245 3.960 -0.001 0.000 0.207 185 G C 1.684 176.671 174.900 0.145 0.000 1.162 185 G CA 2.477 47.638 45.100 0.101 0.000 0.796 185 G HN 1.690 nan 8.290 nan 0.000 0.527 186 T N -0.258 114.378 114.554 0.138 0.000 2.708 186 T HA -0.106 4.243 4.350 -0.001 0.000 0.266 186 T C 2.248 177.088 174.700 0.232 0.000 1.037 186 T CA 0.938 63.146 62.100 0.180 0.000 1.146 186 T CB -0.238 68.724 68.868 0.155 0.000 0.865 186 T HN 0.082 nan 8.240 nan 0.000 0.435 187 L N 1.267 122.605 121.223 0.192 0.000 2.156 187 L HA 0.171 4.510 4.340 -0.001 0.000 0.208 187 L C 2.442 179.418 176.870 0.177 0.000 1.095 187 L CA 0.966 55.914 54.840 0.180 0.000 0.770 187 L CB -0.697 41.456 42.059 0.157 0.000 0.914 187 L HN 0.410 nan 8.230 nan 0.000 0.439 188 L N -3.874 117.455 121.223 0.177 0.000 2.217 188 L HA -0.118 4.221 4.340 -0.001 0.000 0.211 188 L C 2.385 179.372 176.870 0.195 0.000 1.107 188 L CA 1.479 56.419 54.840 0.167 0.000 0.783 188 L CB -1.417 40.731 42.059 0.147 0.000 0.919 188 L HN 0.080 nan 8.230 nan 0.000 0.442 189 Y N 1.081 121.449 120.300 0.114 0.000 2.263 189 Y HA 0.061 4.611 4.550 -0.001 0.000 0.292 189 Y C 2.534 178.525 175.900 0.151 0.000 1.130 189 Y CA 0.957 59.127 58.100 0.116 0.000 1.179 189 Y CB -0.325 38.199 38.460 0.105 0.000 0.998 189 Y HN 0.232 nan 8.280 nan 0.000 0.532 190 A N -0.889 122.025 122.820 0.157 0.000 1.873 190 A HA -0.195 4.124 4.320 -0.001 0.000 0.215 190 A C 2.497 180.209 177.584 0.214 0.000 1.186 190 A CA 1.872 54.020 52.037 0.187 0.000 0.616 190 A CB -1.458 17.666 19.000 0.205 0.000 0.823 190 A HN 0.478 nan 8.150 nan 0.000 0.442 191 S N 0.415 116.206 115.700 0.153 0.000 2.383 191 S HA -0.195 4.274 4.470 -0.001 0.000 0.229 191 S C 2.270 176.917 174.600 0.079 0.000 1.030 191 S CA 2.347 60.631 58.200 0.140 0.000 1.002 191 S CB -0.585 62.690 63.200 0.125 0.000 0.829 191 S HN 0.890 nan 8.310 nan 0.000 0.467 192 S N 1.195 116.896 115.700 0.000 0.000 2.402 192 S HA 0.068 4.537 4.470 -0.001 0.000 0.229 192 S C 1.834 176.319 174.600 -0.191 0.000 1.021 192 S CA 1.036 59.197 58.200 -0.065 0.000 0.974 192 S CB -0.711 62.457 63.200 -0.053 0.000 0.800 192 S HN 0.572 nan 8.310 nan 0.000 0.484 193 L N -0.819 120.213 121.223 -0.319 0.000 2.313 193 L HA 0.252 4.592 4.340 -0.001 0.000 0.214 193 L C -0.030 176.321 176.870 -0.864 0.000 1.119 193 L CA 0.576 55.047 54.840 -0.615 0.000 0.809 193 L CB -0.227 41.358 42.059 -0.790 0.000 0.933 193 L HN 0.252 nan 8.230 nan 0.000 0.449 194 F N -0.269 119.590 119.950 -0.152 0.000 2.363 194 F HA 0.274 4.801 4.527 -0.001 0.000 0.366 194 F C 1.022 176.740 175.800 -0.138 0.000 1.083 194 F CA -0.585 57.327 58.000 -0.147 0.000 1.176 194 F CB 0.733 39.658 39.000 -0.125 0.000 1.432 194 F HN -0.138 nan 8.300 nan 0.000 0.482 195 Q N 1.164 120.912 119.800 -0.086 0.000 2.403 195 Q HA 0.217 4.556 4.340 -0.001 0.000 0.203 195 Q C 1.143 177.042 176.000 -0.169 0.000 0.932 195 Q CA 0.192 55.942 55.803 -0.087 0.000 0.945 195 Q CB 0.820 29.492 28.738 -0.111 0.000 1.045 195 Q HN 0.813 nan 8.270 nan 0.000 0.511 196 G N -0.035 108.572 108.800 -0.322 0.000 3.247 196 G HA2 0.202 4.161 3.960 -0.001 0.000 0.163 196 G HA3 0.202 4.161 3.960 -0.001 0.000 0.163 196 G C -0.692 173.635 174.900 -0.955 0.000 1.206 196 G CA -0.341 44.225 45.100 -0.891 0.000 0.918 196 G HN 0.100 nan 8.290 nan 0.000 0.625 197 S N -0.895 114.318 115.700 -0.811 0.000 2.549 197 S HA 0.312 4.782 4.470 -0.001 0.000 0.286 197 S C -0.069 174.471 174.600 -0.100 0.000 1.314 197 S CA -0.405 57.653 58.200 -0.238 0.000 1.062 197 S CB 0.187 63.350 63.200 -0.061 0.000 0.865 197 S HN 0.461 nan 8.310 nan 0.000 0.498 198 V N 8.265 128.141 119.914 -0.063 0.000 2.398 198 V HA 0.402 4.522 4.120 -0.001 0.000 0.286 198 V C -2.040 173.910 176.094 -0.241 0.000 1.026 198 V CA -1.835 60.362 62.300 -0.172 0.000 0.868 198 V CB 1.144 32.922 31.823 -0.076 0.000 0.982 198 V HN 0.765 nan 8.190 nan 0.000 0.443 199 P HA 0.252 nan 4.420 nan 0.000 0.272 199 P C -2.689 174.538 177.300 -0.122 0.000 1.230 199 P CA -1.392 61.567 63.100 -0.235 0.000 0.788 199 P CB -0.248 31.285 31.700 -0.278 0.000 0.949 200 P HA -0.006 nan 4.420 nan 0.000 0.265 200 P C -0.474 176.933 177.300 0.178 0.000 1.193 200 P CA 0.536 63.680 63.100 0.072 0.000 0.765 200 P CB 0.267 32.004 31.700 0.062 0.000 0.823 204 F N 3.401 123.522 119.950 0.284 0.000 2.450 204 F HA 0.611 5.137 4.527 -0.001 0.000 0.332 204 F C 1.039 176.972 175.800 0.222 0.000 1.093 204 F CA -0.053 58.116 58.000 0.281 0.000 1.003 204 F CB 1.692 40.847 39.000 0.259 0.000 1.151 204 F HN 0.719 nan 8.300 nan 0.000 0.474 205 H N 1.865 121.148 119.070 0.354 0.000 2.472 205 H HA 0.764 5.319 4.556 -0.001 0.000 0.338 205 H C -0.457 174.987 175.328 0.194 0.000 1.133 205 H CA -0.545 55.627 56.048 0.206 0.000 1.216 205 H CB 1.198 31.037 29.762 0.128 0.000 1.497 205 H HN 0.693 nan 8.280 nan 0.000 0.500 206 L N 2.340 123.644 121.223 0.136 0.000 2.588 206 L HA 0.387 4.727 4.340 -0.001 0.000 0.194 206 L C 2.048 178.983 176.870 0.109 0.000 1.070 206 L CA 0.851 55.717 54.840 0.043 0.000 0.852 206 L CB -1.140 40.892 42.059 -0.045 0.000 1.199 206 L HN 0.774 nan 8.230 nan 0.000 0.486 207 G N -0.003 108.865 108.800 0.114 0.000 2.561 207 G HA2 0.408 4.367 3.960 -0.001 0.000 0.208 207 G HA3 0.408 4.367 3.960 -0.001 0.000 0.208 207 G C 0.992 175.966 174.900 0.124 0.000 1.510 207 G CA 1.148 46.303 45.100 0.092 0.000 0.941 207 G HN 1.180 nan 8.290 nan 0.000 0.478 208 S N -1.071 114.680 115.700 0.084 0.000 2.651 208 S HA 0.607 5.077 4.470 -0.001 0.000 0.291 208 S C 0.966 175.525 174.600 -0.067 0.000 1.141 208 S CA -0.556 57.651 58.200 0.012 0.000 1.027 208 S CB 1.345 64.534 63.200 -0.019 0.000 1.043 208 S HN 0.429 nan 8.310 nan 0.000 0.530 209 L N 2.521 123.577 121.223 -0.279 0.000 2.043 209 L HA 0.170 4.510 4.340 -0.001 0.000 0.212 209 L C 1.515 178.195 176.870 -0.316 0.000 1.075 209 L CA 2.751 57.259 54.840 -0.553 0.000 0.752 209 L CB -1.236 40.520 42.059 -0.505 0.000 0.891 209 L HN 1.438 nan 8.230 nan 0.000 0.432 210 G N -2.047 106.617 108.800 -0.228 0.000 2.641 210 G HA2 -0.375 3.585 3.960 -0.001 0.000 0.254 210 G HA3 -0.375 3.585 3.960 -0.001 0.000 0.254 210 G C 0.294 175.044 174.900 -0.250 0.000 1.315 210 G CA 0.349 45.378 45.100 -0.120 0.000 0.907 210 G HN 0.291 nan 8.290 nan 0.000 0.572 211 F N -0.574 119.357 119.950 -0.032 0.000 2.752 211 F HA 0.397 4.924 4.527 -0.001 0.000 0.310 211 F C 2.111 177.936 175.800 0.042 0.000 1.097 211 F CA 0.328 58.314 58.000 -0.023 0.000 1.238 211 F CB 0.452 39.451 39.000 -0.002 0.000 1.061 211 F HN 0.204 nan 8.300 nan 0.000 0.591 212 L N -0.671 120.679 121.223 0.211 0.000 2.766 212 L HA 0.243 4.583 4.340 -0.001 0.000 0.242 212 L C 0.287 177.255 176.870 0.163 0.000 1.136 212 L CA 0.164 55.113 54.840 0.182 0.000 0.933 212 L CB 0.052 42.218 42.059 0.179 0.000 1.241 212 L HN -0.021 nan 8.230 nan 0.000 0.522 213 T N -3.203 111.438 114.554 0.144 0.000 3.331 213 T HA 0.312 4.662 4.350 -0.001 0.000 0.381 213 T C -1.984 172.827 174.700 0.185 0.000 1.656 213 T CA -1.544 60.676 62.100 0.200 0.000 1.453 213 T CB 0.966 69.980 68.868 0.243 0.000 1.066 213 T HN -0.135 nan 8.240 nan 0.000 0.655 214 P HA 0.119 nan 4.420 nan 0.000 0.227 214 P C 0.045 177.325 177.300 -0.033 0.000 1.161 214 P CA -0.019 63.043 63.100 -0.062 0.000 0.788 214 P CB 0.012 31.567 31.700 -0.243 0.000 0.822 215 F N 0.495 120.473 119.950 0.046 0.000 2.412 215 F HA 0.277 4.803 4.527 -0.001 0.000 0.348 215 F C 1.498 177.318 175.800 0.034 0.000 1.102 215 F CA -0.336 57.611 58.000 -0.088 0.000 1.196 215 F CB 0.653 39.249 39.000 -0.674 0.000 1.144 215 F HN -0.217 nan 8.300 nan 0.000 0.541 216 S N 2.790 118.633 115.700 0.239 0.000 2.562 216 S HA 0.192 4.662 4.470 -0.001 0.000 0.275 216 S C 0.728 175.579 174.600 0.418 0.000 1.281 216 S CA -0.563 57.669 58.200 0.053 0.000 1.045 216 S CB 0.295 63.566 63.200 0.118 0.000 0.962 216 S HN 0.564 nan 8.310 nan 0.000 0.503 217 F N 2.918 122.980 119.950 0.187 0.000 2.604 217 F HA 0.115 4.642 4.527 -0.001 0.000 0.298 217 F C 1.180 177.108 175.800 0.214 0.000 1.131 217 F CA 0.372 58.458 58.000 0.144 0.000 1.457 217 F CB -0.013 38.903 39.000 -0.142 0.000 1.095 217 F HN 0.508 nan 8.300 nan 0.000 0.574 218 E N 1.438 121.758 120.200 0.199 0.000 2.376 218 E HA 0.001 4.350 4.350 -0.001 0.000 0.266 218 E C 0.335 176.982 176.600 0.079 0.000 1.009 218 E CA 0.026 56.501 56.400 0.124 0.000 0.902 218 E CB -0.035 29.731 29.700 0.109 0.000 0.972 218 E HN 0.392 nan 8.360 nan 0.000 0.439 219 N N 0.691 119.381 118.700 -0.015 0.000 2.735 219 N HA -0.254 4.486 4.740 -0.001 0.000 0.248 219 N C 0.530 175.956 175.510 -0.139 0.000 1.083 219 N CA 1.049 54.032 53.050 -0.111 0.000 0.703 219 N CB -1.965 36.499 38.487 -0.038 0.000 1.005 219 N HN 0.685 nan 8.380 nan 0.000 0.550 220 F N -0.209 119.558 119.950 -0.305 0.000 2.126 220 F HA -0.201 4.326 4.527 -0.001 0.000 0.299 220 F C 2.114 177.755 175.800 -0.265 0.000 1.096 220 F CA 1.178 58.985 58.000 -0.321 0.000 1.255 220 F CB -0.650 37.712 39.000 -1.063 0.000 0.997 220 F HN 0.021 nan 8.300 nan 0.000 0.479 221 Q N 1.113 120.229 119.800 -1.140 0.000 2.045 221 Q HA -0.221 4.118 4.340 -0.001 0.000 0.206 221 Q C 2.615 178.411 176.000 -0.339 0.000 0.991 221 Q CA 2.449 57.666 55.803 -0.976 0.000 0.851 221 Q CB -0.960 27.140 28.738 -1.064 0.000 0.911 221 Q HN 0.547 nan 8.270 nan 0.000 0.418 222 S N -0.419 115.138 115.700 -0.239 0.000 2.382 222 S HA -0.197 4.273 4.470 -0.001 0.000 0.228 222 S C 1.855 176.447 174.600 -0.012 0.000 1.027 222 S CA 1.195 59.342 58.200 -0.088 0.000 0.991 222 S CB -0.053 63.106 63.200 -0.068 0.000 0.823 222 S HN 0.370 nan 8.310 nan 0.000 0.469 223 Q N 0.023 119.835 119.800 0.020 0.000 2.079 223 Q HA -0.041 4.298 4.340 -0.001 0.000 0.200 223 Q C 2.320 178.355 176.000 0.059 0.000 0.974 223 Q CA 1.575 57.431 55.803 0.088 0.000 0.840 223 Q CB -0.305 28.536 28.738 0.171 0.000 0.898 223 Q HN 0.449 nan 8.270 nan 0.000 0.430 224 V N 0.831 120.805 119.914 0.099 0.000 2.343 224 V HA -0.264 3.856 4.120 -0.001 0.000 0.247 224 V C 2.208 178.352 176.094 0.083 0.000 1.051 224 V CA 2.205 64.602 62.300 0.161 0.000 1.036 224 V CB -0.822 31.178 31.823 0.296 0.000 0.654 224 V HN 0.441 nan 8.190 nan 0.000 0.451 225 T N -0.455 114.137 114.554 0.064 0.000 2.746 225 T HA -0.243 4.106 4.350 -0.001 0.000 0.267 225 T C 2.261 176.964 174.700 0.005 0.000 1.039 225 T CA 2.046 64.160 62.100 0.024 0.000 1.142 225 T CB -0.456 68.427 68.868 0.025 0.000 0.866 225 T HN 0.691 nan 8.240 nan 0.000 0.444 226 Q N 0.638 120.454 119.800 0.028 0.000 2.167 226 Q HA 0.162 4.501 4.340 -0.001 0.000 0.202 226 Q C 2.571 178.607 176.000 0.060 0.000 0.970 226 Q CA 1.642 57.473 55.803 0.046 0.000 0.855 226 Q CB -1.578 27.202 28.738 0.069 0.000 0.911 226 Q HN 0.689 nan 8.270 nan 0.000 0.438 227 V N -0.084 119.857 119.914 0.044 0.000 2.379 227 V HA -0.044 4.076 4.120 -0.001 0.000 0.245 227 V C 2.525 178.667 176.094 0.080 0.000 1.044 227 V CA 1.945 64.280 62.300 0.058 0.000 1.036 227 V CB -0.284 31.538 31.823 -0.002 0.000 0.664 227 V HN 0.583 nan 8.190 nan 0.000 0.453 228 I N 0.777 121.270 120.570 -0.128 0.000 2.193 228 I HA -0.090 4.079 4.170 -0.001 0.000 0.240 228 I C 2.904 178.892 176.117 -0.216 0.000 1.084 228 I CA 1.658 62.728 61.300 -0.384 0.000 1.365 228 I CB -0.397 37.355 38.000 -0.414 0.000 1.064 228 I HN 0.480 nan 8.210 nan 0.000 0.410 229 E N 1.161 121.314 120.200 -0.077 0.000 2.299 229 E HA 0.197 4.547 4.350 -0.001 0.000 0.193 229 E C 1.265 177.900 176.600 0.059 0.000 0.998 229 E CA 0.873 57.261 56.400 -0.020 0.000 0.851 229 E CB -0.627 29.060 29.700 -0.022 0.000 0.795 229 E HN 0.577 nan 8.360 nan 0.000 0.492 230 G N -0.902 107.955 108.800 0.094 0.000 2.828 230 G HA2 0.367 4.327 3.960 -0.001 0.000 0.244 230 G HA3 0.367 4.327 3.960 -0.001 0.000 0.244 230 G C -0.227 174.748 174.900 0.125 0.000 1.365 230 G CA 0.130 45.288 45.100 0.098 0.000 1.041 230 G HN 0.231 nan 8.290 nan 0.000 0.560 231 N N 0.067 118.812 118.700 0.075 0.000 2.886 231 N HA 0.572 5.311 4.740 -0.001 0.000 0.285 231 N C 0.345 175.875 175.510 0.033 0.000 1.706 231 N CA -0.080 52.993 53.050 0.038 0.000 0.904 231 N CB 1.099 39.599 38.487 0.021 0.000 1.224 231 N HN 0.889 nan 8.380 nan 0.000 0.488 232 A N 0.657 123.508 122.820 0.053 0.000 2.520 232 A HA 0.595 4.915 4.320 -0.001 0.000 0.235 232 A C 0.958 178.570 177.584 0.046 0.000 1.065 232 A CA 0.009 52.090 52.037 0.074 0.000 0.764 232 A CB -0.097 18.973 19.000 0.117 0.000 1.002 232 A HN 0.754 nan 8.150 nan 0.000 0.502 233 A N 0.815 123.671 122.820 0.060 0.000 2.351 233 A HA 0.558 4.877 4.320 -0.001 0.000 0.257 233 A C 0.287 177.902 177.584 0.052 0.000 1.087 233 A CA 0.332 52.395 52.037 0.042 0.000 0.798 233 A CB -0.021 19.003 19.000 0.039 0.000 1.033 233 A HN 2.242 nan 8.150 nan 0.000 0.488 234 V N -0.586 119.349 119.914 0.034 0.000 3.007 234 V HA 0.793 4.912 4.120 -0.001 0.000 0.311 234 V C -0.644 175.475 176.094 0.042 0.000 1.120 234 V CA -0.838 61.486 62.300 0.040 0.000 0.980 234 V CB 1.452 33.283 31.823 0.013 0.000 1.033 234 V HN 0.762 nan 8.190 nan 0.000 0.429 235 V N 3.453 123.398 119.914 0.052 0.000 2.417 235 V HA 0.471 4.590 4.120 -0.001 0.000 0.291 235 V C -0.012 176.107 176.094 0.042 0.000 1.024 235 V CA -0.526 61.805 62.300 0.052 0.000 0.861 235 V CB 1.422 33.280 31.823 0.058 0.000 0.985 235 V HN 0.805 nan 8.190 nan 0.000 0.436 236 L N 5.756 126.998 121.223 0.032 0.000 2.328 236 L HA 0.430 4.769 4.340 -0.001 0.000 0.280 236 L C 0.608 177.497 176.870 0.031 0.000 1.111 236 L CA -0.297 54.560 54.840 0.028 0.000 0.909 236 L CB 0.104 42.174 42.059 0.019 0.000 1.277 236 L HN 0.616 nan 8.230 nan 0.000 0.433 237 R N 1.962 122.486 120.500 0.040 0.000 2.345 237 R HA 0.105 4.444 4.340 -0.001 0.000 0.331 237 R C 0.671 176.998 176.300 0.046 0.000 1.067 237 R CA -0.218 55.907 56.100 0.041 0.000 0.962 237 R CB 0.365 30.698 30.300 0.056 0.000 0.987 237 R HN 0.605 nan 8.270 nan 0.000 0.451 238 S N 3.788 119.510 115.700 0.036 0.000 2.573 238 S HA 0.145 4.615 4.470 -0.001 0.000 0.277 238 S C 0.258 174.892 174.600 0.057 0.000 1.346 238 S CA -0.322 57.903 58.200 0.041 0.000 1.034 238 S CB 1.239 64.455 63.200 0.027 0.000 0.879 238 S HN 0.561 nan 8.310 nan 0.000 0.528 239 R N 0.551 121.093 120.500 0.070 0.000 2.912 239 R HA 0.614 4.954 4.340 -0.001 0.000 0.262 239 R C -1.032 175.320 176.300 0.087 0.000 1.057 239 R CA -0.938 55.216 56.100 0.089 0.000 0.981 239 R CB 1.249 31.617 30.300 0.113 0.000 1.201 239 R HN 0.608 nan 8.270 nan 0.000 0.484 240 L N 1.134 122.419 121.223 0.103 0.000 2.325 240 L HA 0.488 4.828 4.340 -0.001 0.000 0.278 240 L C -0.035 176.911 176.870 0.126 0.000 1.023 240 L CA -0.676 54.226 54.840 0.103 0.000 0.811 240 L CB 1.524 43.647 42.059 0.106 0.000 1.249 240 L HN 0.336 nan 8.230 nan 0.000 0.431 241 K N 2.276 122.742 120.400 0.110 0.000 2.227 241 K HA 0.549 4.869 4.320 -0.001 0.000 0.280 241 K C -1.387 175.296 176.600 0.139 0.000 1.041 241 K CA -0.474 55.883 56.287 0.117 0.000 0.905 241 K CB 1.238 33.786 32.500 0.081 0.000 1.068 241 K HN 0.388 nan 8.250 nan 0.000 0.470 242 V N 3.356 123.384 119.914 0.190 0.000 2.407 242 V HA 0.492 4.612 4.120 -0.001 0.000 0.291 242 V C -0.060 176.183 176.094 0.248 0.000 1.018 242 V CA -0.872 61.580 62.300 0.253 0.000 0.842 242 V CB 1.180 33.247 31.823 0.407 0.000 0.996 242 V HN 0.841 nan 8.190 nan 0.000 0.426 243 R N 3.396 124.005 120.500 0.182 0.000 2.265 243 R HA 0.781 5.121 4.340 -0.001 0.000 0.328 243 R C -0.878 175.520 176.300 0.163 0.000 0.969 243 R CA -0.471 55.709 56.100 0.135 0.000 0.832 243 R CB 1.439 31.780 30.300 0.069 0.000 1.139 243 R HN 0.623 nan 8.270 nan 0.000 0.457 244 V N 3.391 123.425 119.914 0.199 0.000 2.328 244 V HA 0.388 4.507 4.120 -0.001 0.000 0.278 244 V C -0.195 175.965 176.094 0.109 0.000 1.021 244 V CA -0.980 61.433 62.300 0.189 0.000 0.838 244 V CB 1.529 33.526 31.823 0.290 0.000 0.999 244 V HN 0.628 nan 8.190 nan 0.000 0.447 245 V N 6.927 126.882 119.914 0.068 0.000 2.328 245 V HA 0.451 4.570 4.120 -0.001 0.000 0.278 245 V C 0.280 176.391 176.094 0.028 0.000 1.021 245 V CA -0.666 61.656 62.300 0.037 0.000 0.838 245 V CB 0.929 32.764 31.823 0.019 0.000 0.999 245 V HN 0.982 nan 8.190 nan 0.000 0.447 280 Y N 0.671 120.884 120.300 -0.145 0.000 2.477 280 Y HA 0.436 4.986 4.550 -0.001 0.000 0.347 280 Y C -0.353 175.528 175.900 -0.032 0.000 0.981 280 Y CA -1.011 56.973 58.100 -0.193 0.000 1.033 280 Y CB 2.024 40.155 38.460 -0.549 0.000 1.245 280 Y HN 0.322 nan 8.280 nan 0.000 0.455 281 Q N 2.998 122.883 119.800 0.142 0.000 2.307 281 Q HA 0.584 4.924 4.340 -0.001 0.000 0.262 281 Q C -0.807 175.299 176.000 0.176 0.000 0.961 281 Q CA -0.821 55.072 55.803 0.150 0.000 0.882 281 Q CB 2.599 31.408 28.738 0.118 0.000 1.264 281 Q HN 0.633 nan 8.270 nan 0.000 0.446 282 V N 0.487 120.511 119.914 0.184 0.000 2.604 282 V HA 0.393 4.513 4.120 -0.001 0.000 0.305 282 V C 0.318 176.495 176.094 0.140 0.000 1.043 282 V CA -0.832 61.576 62.300 0.180 0.000 0.888 282 V CB 1.619 33.568 31.823 0.210 0.000 0.995 282 V HN 0.707 nan 8.190 nan 0.000 0.429 283 L N 3.338 124.638 121.223 0.129 0.000 2.145 283 L HA 0.309 4.649 4.340 -0.001 0.000 0.201 283 L C 1.827 178.755 176.870 0.097 0.000 1.075 283 L CA 1.693 56.599 54.840 0.111 0.000 0.773 283 L CB -0.449 41.678 42.059 0.114 0.000 0.936 283 L HN 0.826 nan 8.230 nan 0.000 0.451 284 N N -0.424 118.336 118.700 0.100 0.000 2.413 284 N HA 0.071 4.811 4.740 -0.001 0.000 0.193 284 N C 0.033 175.590 175.510 0.080 0.000 1.043 284 N CA 0.998 54.100 53.050 0.086 0.000 0.910 284 N CB 0.186 38.727 38.487 0.090 0.000 1.111 284 N HN 0.505 nan 8.380 nan 0.000 0.452 285 E N -0.388 119.866 120.200 0.090 0.000 2.429 285 E HA 0.272 4.621 4.350 -0.001 0.000 0.280 285 E C -1.522 175.116 176.600 0.064 0.000 1.068 285 E CA -0.766 55.679 56.400 0.076 0.000 0.837 285 E CB 1.756 31.502 29.700 0.078 0.000 1.357 285 E HN -0.137 nan 8.360 nan 0.000 0.455 286 V N 1.048 120.977 119.914 0.025 0.000 2.444 286 V HA 0.503 4.623 4.120 -0.001 0.000 0.294 286 V C -1.274 174.777 176.094 -0.072 0.000 1.022 286 V CA -0.479 61.776 62.300 -0.075 0.000 0.850 286 V CB 1.265 33.056 31.823 -0.054 0.000 0.992 286 V HN 0.547 nan 8.190 nan 0.000 0.426 287 V N 8.176 128.027 119.914 -0.106 0.000 2.435 287 V HA 0.546 4.666 4.120 -0.001 0.000 0.290 287 V C -0.312 175.744 176.094 -0.064 0.000 1.030 287 V CA -0.398 61.889 62.300 -0.021 0.000 0.881 287 V CB 1.627 33.504 31.823 0.090 0.000 0.983 287 V HN 0.788 nan 8.190 nan 0.000 0.445 288 I N 5.342 125.902 120.570 -0.017 0.000 2.390 288 I HA 0.437 4.607 4.170 -0.001 0.000 0.283 288 I C -0.431 175.711 176.117 0.042 0.000 1.016 288 I CA -0.180 61.117 61.300 -0.004 0.000 1.151 288 I CB 1.340 39.336 38.000 -0.007 0.000 1.293 288 I HN 0.779 nan 8.210 nan 0.000 0.458 289 D N 4.308 124.757 120.400 0.082 0.000 2.450 289 D HA 0.626 5.265 4.640 -0.001 0.000 0.238 289 D C -0.135 176.252 176.300 0.145 0.000 1.020 289 D CA -1.187 52.871 54.000 0.098 0.000 1.010 289 D CB 0.851 41.704 40.800 0.088 0.000 1.342 289 D HN 0.403 nan 8.370 nan 0.000 0.530 290 R N -0.399 120.170 120.500 0.116 0.000 2.637 290 R HA 0.614 4.954 4.340 -0.001 0.000 0.269 290 R C 0.586 176.993 176.300 0.179 0.000 1.089 290 R CA -0.923 55.258 56.100 0.136 0.000 1.177 290 R CB 0.171 30.520 30.300 0.083 0.000 1.091 290 R HN 0.459 nan 8.270 nan 0.000 0.540 291 G N 1.135 110.070 108.800 0.226 0.000 2.547 291 G HA2 0.397 4.356 3.960 -0.001 0.000 0.291 291 G HA3 0.397 4.356 3.960 -0.001 0.000 0.291 291 G C -1.848 173.095 174.900 0.071 0.000 1.211 291 G CA -1.410 43.810 45.100 0.201 0.000 0.950 291 G HN 0.515 nan 8.290 nan 0.000 0.504 297 S N 1.515 117.243 115.700 0.048 0.000 2.579 297 S HA 0.637 5.107 4.470 -0.001 0.000 0.275 297 S C 0.156 174.784 174.600 0.047 0.000 1.345 297 S CA -0.029 58.201 58.200 0.050 0.000 1.031 297 S CB 0.809 64.041 63.200 0.054 0.000 0.892 297 S HN 0.905 nan 8.310 nan 0.000 0.529 298 N N 1.470 120.195 118.700 0.043 0.000 2.790 298 N HA 0.306 5.045 4.740 -0.001 0.000 0.256 298 N C -1.693 173.843 175.510 0.043 0.000 1.409 298 N CA -0.222 52.856 53.050 0.045 0.000 0.799 298 N CB 1.535 40.054 38.487 0.054 0.000 1.170 298 N HN 0.428 nan 8.380 nan 0.000 0.507 299 V N 1.398 121.339 119.914 0.045 0.000 2.384 299 V HA 0.262 4.381 4.120 -0.001 0.000 0.287 299 V C -0.252 175.872 176.094 0.049 0.000 1.020 299 V CA -0.700 61.629 62.300 0.049 0.000 0.850 299 V CB 1.874 33.726 31.823 0.048 0.000 0.987 299 V HN 0.266 nan 8.190 nan 0.000 0.436 300 D N 3.463 123.901 120.400 0.064 0.000 2.210 300 D HA 0.461 5.100 4.640 -0.001 0.000 0.249 300 D C -0.434 175.893 176.300 0.044 0.000 1.078 300 D CA 0.018 54.029 54.000 0.017 0.000 0.875 300 D CB 2.112 42.960 40.800 0.080 0.000 1.175 300 D HN 0.249 nan 8.370 nan 0.000 0.440 301 V N 3.323 123.194 119.914 -0.071 0.000 2.409 301 V HA 0.296 4.416 4.120 -0.001 0.000 0.291 301 V C -0.812 175.213 176.094 -0.116 0.000 1.020 301 V CA -0.782 61.521 62.300 0.005 0.000 0.848 301 V CB 0.549 32.397 31.823 0.041 0.000 0.990 301 V HN 0.389 nan 8.190 nan 0.000 0.430 302 Y N 4.694 125.010 120.300 0.027 0.000 2.360 302 Y HA 0.669 5.218 4.550 -0.001 0.000 0.337 302 Y C -0.013 175.897 175.900 0.017 0.000 1.039 302 Y CA -0.743 57.369 58.100 0.021 0.000 1.109 302 Y CB 1.843 40.306 38.460 0.006 0.000 1.201 302 Y HN 0.419 nan 8.280 nan 0.000 0.458 303 L N 3.830 125.141 121.223 0.147 0.000 2.342 303 L HA 0.319 4.659 4.340 -0.001 0.000 0.276 303 L C -0.752 176.137 176.870 0.033 0.000 0.997 303 L CA -0.668 54.229 54.840 0.094 0.000 0.838 303 L CB 1.315 43.430 42.059 0.093 0.000 1.224 303 L HN 0.756 nan 8.230 nan 0.000 0.416 304 D N 3.592 123.980 120.400 -0.020 0.000 2.689 304 D HA -0.199 4.440 4.640 -0.001 0.000 0.237 304 D C 1.185 177.296 176.300 -0.315 0.000 1.148 304 D CA 1.589 55.512 54.000 -0.128 0.000 0.656 304 D CB -0.635 40.103 40.800 -0.103 0.000 1.050 304 D HN 1.085 nan 8.370 nan 0.000 0.426 305 G N -0.795 107.914 108.800 -0.152 0.000 2.205 305 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.261 305 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.261 305 G C 0.116 175.032 174.900 0.027 0.000 0.980 305 G CA 0.486 45.520 45.100 -0.111 0.000 0.632 305 G HN 0.665 nan 8.290 nan 0.000 0.533 306 H N -0.387 118.784 119.070 0.168 0.000 2.604 306 H HA 0.527 5.083 4.556 -0.001 0.000 0.306 306 H C 0.265 175.619 175.328 0.044 0.000 1.075 306 H CA -0.925 55.189 56.048 0.110 0.000 1.357 306 H CB 1.721 31.506 29.762 0.038 0.000 1.426 306 H HN 0.227 nan 8.280 nan 0.000 0.470 307 L N 4.669 125.904 121.223 0.021 0.000 2.500 307 L HA -0.034 4.306 4.340 -0.001 0.000 0.272 307 L C 0.129 176.867 176.870 -0.220 0.000 1.149 307 L CA 0.254 54.830 54.840 -0.440 0.000 0.897 307 L CB -0.137 41.606 42.059 -0.527 0.000 1.178 307 L HN 0.707 nan 8.230 nan 0.000 0.473 308 I N 2.862 123.300 120.570 -0.219 0.000 2.385 308 I HA 0.126 4.295 4.170 -0.001 0.000 0.244 308 I C 1.116 177.114 176.117 -0.199 0.000 1.089 308 I CA 0.815 62.025 61.300 -0.150 0.000 1.410 308 I CB -0.940 37.002 38.000 -0.097 0.000 1.117 308 I HN 0.717 nan 8.210 nan 0.000 0.429 309 T N -0.609 113.808 114.554 -0.228 0.000 2.769 309 T HA 0.360 4.709 4.350 -0.001 0.000 0.306 309 T C -1.055 173.540 174.700 -0.175 0.000 1.400 309 T CA -0.336 61.627 62.100 -0.229 0.000 1.007 309 T CB 1.641 70.292 68.868 -0.361 0.000 1.392 309 T HN -0.033 nan 8.240 nan 0.000 0.500 310 T N 1.980 116.459 114.554 -0.126 0.000 2.771 310 T HA 0.541 4.890 4.350 -0.001 0.000 0.281 310 T C -0.403 174.286 174.700 -0.017 0.000 0.982 310 T CA -0.364 61.702 62.100 -0.057 0.000 0.978 310 T CB 1.098 69.945 68.868 -0.035 0.000 0.930 310 T HN 0.446 nan 8.240 nan 0.000 0.447 311 V N 5.478 125.420 119.914 0.046 0.000 2.389 311 V HA 0.210 4.330 4.120 -0.001 0.000 0.264 311 V C 0.238 176.386 176.094 0.089 0.000 1.049 311 V CA -0.297 62.079 62.300 0.127 0.000 0.932 311 V CB 0.522 32.454 31.823 0.181 0.000 1.011 311 V HN 0.803 nan 8.190 nan 0.000 0.475 312 Q N 4.184 124.037 119.800 0.088 0.000 2.431 312 Q HA 0.688 5.027 4.340 -0.001 0.000 0.249 312 Q C 0.359 176.402 176.000 0.072 0.000 1.025 312 Q CA -0.211 55.631 55.803 0.064 0.000 0.835 312 Q CB 2.086 30.853 28.738 0.047 0.000 1.207 312 Q HN 0.949 nan 8.270 nan 0.000 0.490 313 G N 1.483 110.318 108.800 0.058 0.000 2.323 313 G HA2 -0.032 3.927 3.960 -0.001 0.000 0.291 313 G HA3 -0.032 3.927 3.960 -0.001 0.000 0.291 313 G C -0.625 174.296 174.900 0.035 0.000 1.278 313 G CA -0.644 44.481 45.100 0.043 0.000 0.860 313 G HN 0.360 nan 8.290 nan 0.000 0.504 314 D N -0.131 120.282 120.400 0.022 0.000 2.219 314 D HA 0.339 4.978 4.640 -0.001 0.000 0.205 314 D C 1.439 177.761 176.300 0.037 0.000 0.970 314 D CA 2.504 56.521 54.000 0.028 0.000 0.851 314 D CB 0.248 41.063 40.800 0.024 0.000 0.943 314 D HN 1.164 nan 8.370 nan 0.000 0.488 315 G N -1.557 107.257 108.800 0.023 0.000 2.373 315 G HA2 0.240 4.199 3.960 -0.001 0.000 0.250 315 G HA3 0.240 4.199 3.960 -0.001 0.000 0.250 315 G C -1.894 173.002 174.900 -0.007 0.000 1.304 315 G CA -0.141 44.975 45.100 0.027 0.000 0.948 315 G HN 0.199 nan 8.290 nan 0.000 0.474 316 V N 0.099 120.008 119.914 -0.008 0.000 2.888 316 V HA 0.766 4.886 4.120 -0.001 0.000 0.309 316 V C -1.076 174.990 176.094 -0.046 0.000 1.114 316 V CA -0.891 61.385 62.300 -0.040 0.000 0.940 316 V CB 1.692 33.525 31.823 0.017 0.000 1.021 316 V HN 0.787 nan 8.190 nan 0.000 0.426 317 I N 6.091 126.604 120.570 -0.094 0.000 2.354 317 I HA 0.529 4.698 4.170 -0.001 0.000 0.292 317 I C -0.652 175.438 176.117 -0.046 0.000 0.989 317 I CA -0.846 60.408 61.300 -0.077 0.000 1.188 317 I CB 1.927 39.827 38.000 -0.167 0.000 1.342 317 I HN 0.299 nan 8.210 nan 0.000 0.457 318 V N 5.608 125.516 119.914 -0.010 0.000 2.313 318 V HA 0.429 4.549 4.120 -0.001 0.000 0.278 318 V C -0.019 176.087 176.094 0.020 0.000 1.017 318 V CA -0.307 61.999 62.300 0.009 0.000 0.823 318 V CB 1.045 32.886 31.823 0.029 0.000 1.010 318 V HN 0.887 nan 8.190 nan 0.000 0.443 319 S N 2.529 118.237 115.700 0.012 0.000 2.677 319 S HA 0.826 5.295 4.470 -0.001 0.000 0.304 319 S C -0.027 174.586 174.600 0.022 0.000 1.108 319 S CA -0.736 57.477 58.200 0.021 0.000 0.944 319 S CB 2.041 65.246 63.200 0.007 0.000 1.127 319 S HN 0.764 nan 8.310 nan 0.000 0.511 320 T N -2.244 112.328 114.554 0.029 0.000 2.927 320 T HA 0.514 4.864 4.350 -0.001 0.000 0.281 320 T C -2.291 172.412 174.700 0.005 0.000 0.998 320 T CA -2.009 60.105 62.100 0.023 0.000 1.019 320 T CB 0.603 69.494 68.868 0.039 0.000 1.061 320 T HN 0.253 nan 8.240 nan 0.000 0.518 321 P HA -0.075 nan 4.420 nan 0.000 0.217 321 P C 1.532 178.814 177.300 -0.030 0.000 1.148 321 P CA 1.113 64.190 63.100 -0.038 0.000 0.828 321 P CB -0.242 31.417 31.700 -0.068 0.000 0.783 322 T N -1.127 113.425 114.554 -0.003 0.000 2.746 322 T HA -0.096 4.254 4.350 -0.001 0.000 0.267 322 T C 1.951 176.667 174.700 0.026 0.000 1.039 322 T CA 1.771 63.887 62.100 0.026 0.000 1.142 322 T CB -1.218 67.680 68.868 0.051 0.000 0.866 322 T HN 0.204 nan 8.240 nan 0.000 0.444 323 G N 1.190 110.006 108.800 0.027 0.000 2.679 323 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.212 323 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.212 323 G C 1.741 176.644 174.900 0.005 0.000 1.137 323 G CA 0.976 46.095 45.100 0.031 0.000 0.787 323 G HN 0.616 nan 8.290 nan 0.000 0.534 324 S N 0.631 116.319 115.700 -0.020 0.000 2.423 324 S HA -0.138 4.331 4.470 -0.001 0.000 0.231 324 S C 2.166 176.721 174.600 -0.075 0.000 1.014 324 S CA 1.797 59.973 58.200 -0.040 0.000 0.965 324 S CB -0.596 62.585 63.200 -0.031 0.000 0.785 324 S HN 0.406 nan 8.310 nan 0.000 0.495 325 T N -1.516 112.966 114.554 -0.119 0.000 3.107 325 T HA 0.673 5.023 4.350 -0.001 0.000 0.249 325 T C 0.948 175.618 174.700 -0.049 0.000 1.096 325 T CA 0.165 62.155 62.100 -0.183 0.000 1.012 325 T CB 0.038 68.634 68.868 -0.453 0.000 0.977 325 T HN 0.550 nan 8.240 nan 0.000 0.527 326 A N 0.948 123.771 122.820 0.004 0.000 3.591 326 A HA 0.524 4.844 4.320 -0.001 0.000 0.163 326 A C 1.398 179.051 177.584 0.114 0.000 1.876 326 A CA -0.264 51.812 52.037 0.066 0.000 1.380 326 A CB -1.063 17.987 19.000 0.083 0.000 1.777 326 A HN 0.179 nan 8.150 nan 0.000 0.720 327 Y N 0.407 120.699 120.300 -0.013 0.000 2.114 327 Y HA -0.194 4.355 4.550 -0.001 0.000 0.282 327 Y C 2.696 178.578 175.900 -0.030 0.000 1.165 327 Y CA 1.695 59.782 58.100 -0.021 0.000 1.148 327 Y CB -1.082 37.365 38.460 -0.021 0.000 0.972 327 Y HN 0.444 nan 8.280 nan 0.000 0.504 328 A N 0.326 123.083 122.820 -0.105 0.000 1.986 328 A HA -0.164 4.156 4.320 -0.001 0.000 0.220 328 A C 2.531 180.031 177.584 -0.141 0.000 1.171 328 A CA 2.132 54.051 52.037 -0.197 0.000 0.640 328 A CB -1.432 17.497 19.000 -0.117 0.000 0.811 328 A HN 0.588 nan 8.150 nan 0.000 0.451 329 A N -0.164 122.615 122.820 -0.069 0.000 1.908 329 A HA 0.102 4.422 4.320 -0.001 0.000 0.218 329 A C 2.463 180.019 177.584 -0.047 0.000 1.181 329 A CA 2.169 54.176 52.037 -0.050 0.000 0.627 329 A CB -0.965 18.017 19.000 -0.030 0.000 0.818 329 A HN 1.160 nan 8.150 nan 0.000 0.445 330 A N -0.881 121.921 122.820 -0.029 0.000 2.066 330 A HA 0.355 4.674 4.320 -0.001 0.000 0.218 330 A C 2.042 179.581 177.584 -0.074 0.000 1.157 330 A CA 1.509 53.540 52.037 -0.010 0.000 0.670 330 A CB -0.517 18.538 19.000 0.091 0.000 0.804 330 A HN 1.090 nan 8.150 nan 0.000 0.453 331 A N -1.889 120.826 122.820 -0.175 0.000 2.379 331 A HA 0.467 4.786 4.320 -0.001 0.000 0.236 331 A C 1.481 178.966 177.584 -0.166 0.000 1.272 331 A CA 0.939 52.846 52.037 -0.217 0.000 0.886 331 A CB -0.684 18.086 19.000 -0.384 0.000 0.962 331 A HN 1.731 nan 8.150 nan 0.000 0.504 332 G N -1.857 106.873 108.800 -0.118 0.000 2.159 332 G HA2 0.132 4.092 3.960 -0.001 0.000 0.227 332 G HA3 0.132 4.092 3.960 -0.001 0.000 0.227 332 G C 0.476 175.325 174.900 -0.085 0.000 0.986 332 G CA 0.167 45.212 45.100 -0.091 0.000 0.651 332 G HN 1.482 nan 8.290 nan 0.000 0.523 333 A N -0.013 122.750 122.820 -0.094 0.000 2.296 333 A HA 0.837 5.157 4.320 -0.001 0.000 0.264 333 A C 1.009 178.568 177.584 -0.042 0.000 1.097 333 A CA 0.942 52.935 52.037 -0.074 0.000 0.811 333 A CB 0.520 19.470 19.000 -0.084 0.000 1.072 333 A HN 0.966 nan 8.150 nan 0.000 0.495 337 H N 8.426 127.005 119.070 -0.819 0.000 3.034 337 H HA 0.099 4.655 4.556 -0.001 0.000 0.324 337 H C -1.636 173.317 175.328 -0.625 0.000 1.015 337 H CA -0.489 54.749 56.048 -1.350 0.000 1.429 337 H CB 1.547 30.613 29.762 -1.159 0.000 1.429 337 H HN 0.329 nan 8.280 nan 0.000 0.585 338 P HA -0.106 nan 4.420 nan 0.000 0.231 338 P C 0.475 177.763 177.300 -0.019 0.000 1.158 338 P CA 0.752 63.719 63.100 -0.222 0.000 0.763 338 P CB 0.451 32.033 31.700 -0.196 0.000 0.805 339 N N -0.598 118.221 118.700 0.199 0.000 2.398 339 N HA 0.024 4.763 4.740 -0.001 0.000 0.188 339 N C 0.123 175.627 175.510 -0.010 0.000 1.122 339 N CA 0.169 53.271 53.050 0.086 0.000 0.866 339 N CB -0.063 38.443 38.487 0.031 0.000 0.970 339 N HN 0.033 nan 8.380 nan 0.000 0.462 340 V N 3.986 123.883 119.914 -0.029 0.000 2.427 340 V HA 0.181 4.301 4.120 -0.001 0.000 0.268 340 V C -2.005 174.067 176.094 -0.036 0.000 1.046 340 V CA -1.385 60.882 62.300 -0.055 0.000 0.970 340 V CB 0.856 32.633 31.823 -0.076 0.000 1.001 340 V HN 0.054 nan 8.190 nan 0.000 0.476 341 P HA 0.552 nan 4.420 nan 0.000 0.280 341 P C -0.558 176.733 177.300 -0.015 0.000 1.300 341 P CA 0.163 63.252 63.100 -0.018 0.000 0.785 341 P CB 1.116 32.806 31.700 -0.017 0.000 0.874 342 A N 3.766 126.580 122.820 -0.010 0.000 2.567 342 A HA 0.691 5.010 4.320 -0.001 0.000 0.291 342 A C -1.200 176.385 177.584 0.002 0.000 1.048 342 A CA -0.605 51.428 52.037 -0.005 0.000 0.661 342 A CB 0.708 19.701 19.000 -0.011 0.000 1.288 342 A HN 0.368 nan 8.150 nan 0.000 0.424 346 T N 6.569 121.047 114.554 -0.126 0.000 2.809 346 T HA 0.463 4.813 4.350 -0.001 0.000 0.296 346 T C -2.640 171.874 174.700 -0.309 0.000 1.015 346 T CA -1.407 60.558 62.100 -0.225 0.000 0.954 346 T CB 1.616 70.364 68.868 -0.200 0.000 0.950 346 T HN 0.190 nan 8.240 nan 0.000 0.450 347 P HA 0.338 nan 4.420 nan 0.000 0.275 347 P C -0.698 176.407 177.300 -0.324 0.000 1.228 347 P CA -0.483 62.322 63.100 -0.493 0.000 0.786 347 P CB 0.790 31.899 31.700 -0.984 0.000 0.927 348 I N 2.354 122.799 120.570 -0.209 0.000 2.312 348 I HA 0.165 4.335 4.170 -0.001 0.000 0.290 348 I C 0.373 176.433 176.117 -0.096 0.000 1.008 348 I CA -0.602 60.602 61.300 -0.159 0.000 1.226 348 I CB 0.144 38.081 38.000 -0.104 0.000 1.371 348 I HN 0.423 nan 8.210 nan 0.000 0.468 349 C N 6.120 125.366 119.300 -0.090 0.000 3.349 349 C HA -0.102 4.358 4.460 -0.001 0.000 0.275 349 C C -1.610 173.361 174.990 -0.030 0.000 1.322 349 C CA -0.955 58.034 59.018 -0.048 0.000 2.261 349 C CB -2.640 25.087 27.740 -0.021 0.000 1.446 349 C HN 0.566 nan 8.230 nan 0.000 0.533 350 P HA 0.246 nan 4.420 nan 0.000 0.271 350 P C 0.939 178.268 177.300 0.047 0.000 1.218 350 P CA 1.293 64.407 63.100 0.022 0.000 0.780 350 P CB 0.405 32.122 31.700 0.028 0.000 0.901 351 H N 0.342 119.452 119.070 0.067 0.000 2.423 351 H HA -0.030 4.525 4.556 -0.001 0.000 0.297 351 H C 1.252 176.613 175.328 0.055 0.000 1.075 351 H CA 1.349 57.428 56.048 0.051 0.000 1.342 351 H CB -0.317 29.473 29.762 0.046 0.000 1.395 351 H HN 0.535 nan 8.280 nan 0.000 0.530 352 S N 0.246 115.998 115.700 0.087 0.000 2.410 352 S HA 0.390 4.860 4.470 -0.001 0.000 0.304 352 S C 1.272 175.934 174.600 0.103 0.000 1.095 352 S CA -0.522 57.728 58.200 0.084 0.000 1.089 352 S CB 0.038 63.287 63.200 0.082 0.000 0.968 352 S HN 0.479 nan 8.310 nan 0.000 0.480 353 L N 4.641 125.901 121.223 0.062 0.000 2.275 353 L HA 0.038 4.378 4.340 -0.001 0.000 0.215 353 L C 2.886 179.792 176.870 0.061 0.000 1.119 353 L CA 1.532 56.400 54.840 0.047 0.000 0.790 353 L CB -0.620 41.454 42.059 0.025 0.000 0.919 353 L HN 0.804 nan 8.230 nan 0.000 0.443 354 S N -0.110 115.635 115.700 0.075 0.000 2.515 354 S HA -0.114 4.356 4.470 -0.001 0.000 0.231 354 S C 1.109 175.800 174.600 0.151 0.000 0.987 354 S CA 0.083 58.330 58.200 0.078 0.000 0.936 354 S CB -0.503 62.725 63.200 0.047 0.000 0.766 354 S HN 0.369 nan 8.310 nan 0.000 0.528 355 F N 3.285 123.225 119.950 -0.017 0.000 2.541 355 F HA 0.255 4.781 4.527 -0.001 0.000 0.347 355 F C 0.419 176.206 175.800 -0.022 0.000 1.242 355 F CA -1.051 56.937 58.000 -0.020 0.000 1.123 355 F CB 0.138 39.126 39.000 -0.021 0.000 1.354 355 F HN 0.084 nan 8.300 nan 0.000 0.621 356 R N 5.502 126.139 120.500 0.228 0.000 2.560 356 R HA 0.296 4.635 4.340 -0.001 0.000 0.270 356 R C -2.308 173.974 176.300 -0.030 0.000 1.074 356 R CA -1.528 54.598 56.100 0.043 0.000 1.140 356 R CB 0.250 30.585 30.300 0.059 0.000 1.073 356 R HN 0.396 nan 8.270 nan 0.000 0.527 357 P HA 0.002 nan 4.420 nan 0.000 0.267 357 P C -0.721 176.573 177.300 -0.009 0.000 1.200 357 P CA 0.460 63.500 63.100 -0.100 0.000 0.772 357 P CB 0.472 32.115 31.700 -0.095 0.000 0.855 358 I N 1.851 122.429 120.570 0.013 0.000 2.569 358 I HA 0.309 4.478 4.170 -0.001 0.000 0.296 358 I C -0.717 175.414 176.117 0.023 0.000 1.028 358 I CA -0.850 60.478 61.300 0.047 0.000 1.082 358 I CB 2.205 40.269 38.000 0.108 0.000 1.264 358 I HN -0.039 nan 8.210 nan 0.000 0.429 359 V N 6.730 126.656 119.914 0.020 0.000 2.407 359 V HA 0.492 4.612 4.120 -0.001 0.000 0.291 359 V C -0.201 175.902 176.094 0.016 0.000 1.018 359 V CA -0.644 61.663 62.300 0.012 0.000 0.842 359 V CB 1.658 33.482 31.823 0.002 0.000 0.996 359 V HN 0.494 nan 8.190 nan 0.000 0.426 360 V N 3.534 123.459 119.914 0.019 0.000 3.019 360 V HA 0.789 4.909 4.120 -0.001 0.000 0.317 360 V C -2.728 173.374 176.094 0.014 0.000 1.094 360 V CA -2.990 59.323 62.300 0.021 0.000 1.000 360 V CB 1.761 33.603 31.823 0.032 0.000 1.060 360 V HN 0.634 nan 8.190 nan 0.000 0.443 361 P HA 0.274 nan 4.420 nan 0.000 0.269 361 P C 0.651 177.956 177.300 0.009 0.000 1.209 361 P CA 0.363 63.467 63.100 0.007 0.000 0.776 361 P CB 0.823 32.527 31.700 0.006 0.000 0.876 362 A N 2.970 125.793 122.820 0.004 0.000 2.076 362 A HA -0.070 4.250 4.320 -0.001 0.000 0.220 362 A C 2.023 179.612 177.584 0.007 0.000 1.160 362 A CA 1.950 53.990 52.037 0.006 0.000 0.653 362 A CB -1.511 17.489 19.000 0.001 0.000 0.801 362 A HN 0.659 nan 8.150 nan 0.000 0.455 363 G N -0.464 108.339 108.800 0.005 0.000 3.088 363 G HA2 0.341 4.300 3.960 -0.001 0.000 0.212 363 G HA3 0.341 4.300 3.960 -0.001 0.000 0.212 363 G C 0.620 175.525 174.900 0.008 0.000 1.173 363 G CA 0.593 45.695 45.100 0.003 0.000 0.779 363 G HN 0.848 nan 8.290 nan 0.000 0.540 364 V N -1.679 118.243 119.914 0.014 0.000 2.834 364 V HA 0.613 4.733 4.120 -0.001 0.000 0.301 364 V C -0.477 175.629 176.094 0.020 0.000 1.066 364 V CA -1.201 61.109 62.300 0.018 0.000 1.052 364 V CB 1.887 33.727 31.823 0.028 0.000 1.021 364 V HN 0.179 nan 8.190 nan 0.000 0.480 365 E N 2.926 123.135 120.200 0.016 0.000 2.129 365 E HA 0.564 4.913 4.350 -0.001 0.000 0.268 365 E C -1.393 175.228 176.600 0.034 0.000 0.900 365 E CA -0.743 55.669 56.400 0.019 0.000 0.755 365 E CB 1.531 31.232 29.700 0.002 0.000 1.117 365 E HN 0.797 nan 8.360 nan 0.000 0.410 366 L N 4.529 125.783 121.223 0.051 0.000 2.307 366 L HA 0.434 4.774 4.340 -0.001 0.000 0.282 366 L C -0.185 176.733 176.870 0.079 0.000 1.051 366 L CA -0.144 54.742 54.840 0.076 0.000 0.804 366 L CB 1.304 43.409 42.059 0.075 0.000 1.197 366 L HN 0.451 nan 8.230 nan 0.000 0.431 367 K N 4.125 124.595 120.400 0.117 0.000 2.463 367 K HA 0.670 4.990 4.320 -0.001 0.000 0.255 367 K C -1.173 175.538 176.600 0.185 0.000 0.942 367 K CA -0.389 55.953 56.287 0.092 0.000 0.814 367 K CB 1.092 33.572 32.500 -0.033 0.000 1.122 367 K HN 0.489 nan 8.250 nan 0.000 0.425 371 S N 2.627 118.397 115.700 0.116 0.000 2.572 371 S HA 0.211 4.681 4.470 -0.001 0.000 0.279 371 S C -1.316 173.400 174.600 0.194 0.000 1.341 371 S CA -0.955 57.323 58.200 0.130 0.000 1.043 371 S CB 1.004 64.255 63.200 0.085 0.000 0.887 371 S HN 0.477 nan 8.310 nan 0.000 0.516 372 P HA -0.170 nan 4.420 nan 0.000 0.218 372 P C 0.986 178.299 177.300 0.023 0.000 1.148 372 P CA 1.083 64.214 63.100 0.053 0.000 0.822 372 P CB -0.043 31.665 31.700 0.013 0.000 0.784 373 E N 0.185 120.425 120.200 0.067 0.000 2.511 373 E HA 0.043 4.393 4.350 -0.001 0.000 0.196 373 E C 0.528 177.194 176.600 0.109 0.000 1.066 373 E CA -0.082 56.352 56.400 0.058 0.000 0.871 373 E CB -0.621 29.102 29.700 0.039 0.000 0.863 373 E HN 0.045 nan 8.360 nan 0.000 0.520 374 A N 1.180 124.124 122.820 0.206 0.000 2.515 374 A HA 0.356 4.675 4.320 -0.001 0.000 0.263 374 A C 1.519 179.233 177.584 0.217 0.000 1.096 374 A CA 0.668 52.814 52.037 0.182 0.000 0.769 374 A CB 0.163 19.233 19.000 0.116 0.000 1.040 374 A HN 0.454 nan 8.150 nan 0.000 0.505 375 R N 2.114 122.688 120.500 0.122 0.000 2.127 375 R HA 0.164 4.504 4.340 -0.001 0.000 0.217 375 R C 0.923 177.275 176.300 0.086 0.000 1.074 375 R CA 1.731 57.893 56.100 0.104 0.000 0.991 375 R CB -1.574 28.766 30.300 0.067 0.000 0.895 375 R HN 1.288 nan 8.270 nan 0.000 0.450 376 N N 0.388 119.124 118.700 0.061 0.000 2.404 376 N HA 0.519 5.259 4.740 -0.001 0.000 0.297 376 N C 0.254 175.756 175.510 -0.012 0.000 1.163 376 N CA -0.023 53.053 53.050 0.043 0.000 0.864 376 N CB 1.375 39.899 38.487 0.062 0.000 1.247 376 N HN 0.600 nan 8.380 nan 0.000 0.510 377 T N -2.151 112.389 114.554 -0.024 0.000 2.899 377 T HA 0.731 5.081 4.350 -0.001 0.000 0.284 377 T C 0.499 175.155 174.700 -0.073 0.000 1.004 377 T CA 0.022 62.045 62.100 -0.128 0.000 1.043 377 T CB 0.936 69.682 68.868 -0.204 0.000 1.013 377 T HN 1.173 nan 8.240 nan 0.000 0.518 378 A N 0.638 123.354 122.820 -0.173 0.000 2.288 378 A HA 0.745 5.064 4.320 -0.001 0.000 0.328 378 A C -1.504 175.931 177.584 -0.248 0.000 1.123 378 A CA -1.196 50.802 52.037 -0.064 0.000 0.861 378 A CB 0.740 19.710 19.000 -0.051 0.000 1.272 378 A HN 0.870 nan 8.150 nan 0.000 0.490 379 W N -0.385 120.886 121.300 -0.050 0.000 2.785 379 W HA 0.554 5.214 4.660 -0.001 0.000 0.333 379 W C -0.539 175.915 176.519 -0.108 0.000 1.062 379 W CA -0.445 56.861 57.345 -0.064 0.000 1.233 379 W CB 2.029 31.456 29.460 -0.054 0.000 1.413 379 W HN 0.514 nan 8.180 nan 0.000 0.489 380 V N 4.014 123.933 119.914 0.009 0.000 2.513 380 V HA 0.821 4.940 4.120 -0.001 0.000 0.299 380 V C -0.550 175.316 176.094 -0.380 0.000 1.035 380 V CA -0.466 61.700 62.300 -0.223 0.000 0.889 380 V CB 1.477 33.128 31.823 -0.286 0.000 0.988 380 V HN 0.557 nan 8.190 nan 0.000 0.440 381 S N 5.624 120.971 115.700 -0.588 0.000 2.549 381 S HA 0.760 5.229 4.470 -0.001 0.000 0.280 381 S C -1.226 172.917 174.600 -0.762 0.000 1.109 381 S CA -0.581 57.299 58.200 -0.533 0.000 0.905 381 S CB 1.686 64.788 63.200 -0.163 0.000 1.081 381 S HN 0.495 nan 8.310 nan 0.000 0.477 382 F N 1.167 121.078 119.950 -0.066 0.000 2.366 382 F HA 0.425 4.951 4.527 -0.001 0.000 0.366 382 F C 0.079 175.886 175.800 0.012 0.000 1.096 382 F CA -0.716 57.258 58.000 -0.044 0.000 1.060 382 F CB 0.799 39.728 39.000 -0.118 0.000 1.282 382 F HN 0.600 nan 8.300 nan 0.000 0.450 383 D N 2.498 122.976 120.400 0.129 0.000 2.708 383 D HA -0.192 4.447 4.640 -0.001 0.000 0.236 383 D C 1.437 177.781 176.300 0.073 0.000 1.146 383 D CA 1.734 55.799 54.000 0.108 0.000 0.662 383 D CB -0.940 39.943 40.800 0.138 0.000 1.059 383 D HN 1.079 nan 8.370 nan 0.000 0.428 384 G N -0.763 108.051 108.800 0.024 0.000 2.189 384 G HA2 -0.391 3.568 3.960 -0.001 0.000 0.267 384 G HA3 -0.391 3.568 3.960 -0.001 0.000 0.267 384 G C 0.466 175.380 174.900 0.022 0.000 0.975 384 G CA 0.894 45.985 45.100 -0.015 0.000 0.644 384 G HN 0.586 nan 8.290 nan 0.000 0.537 385 R N -0.818 119.733 120.500 0.085 0.000 2.902 385 R HA 0.708 5.048 4.340 -0.001 0.000 0.258 385 R C 0.551 176.965 176.300 0.191 0.000 1.071 385 R CA -0.655 55.517 56.100 0.120 0.000 1.024 385 R CB 0.695 31.080 30.300 0.140 0.000 1.184 385 R HN 0.112 nan 8.270 nan 0.000 0.492 386 K N 0.721 121.227 120.400 0.178 0.000 3.077 386 K HA -0.258 4.062 4.320 -0.001 0.000 0.264 386 K C -0.410 176.341 176.600 0.253 0.000 1.008 386 K CA 0.517 56.932 56.287 0.212 0.000 0.740 386 K CB -1.156 31.466 32.500 0.203 0.000 1.273 386 K HN 0.468 nan 8.250 nan 0.000 0.477 387 R N 2.190 122.796 120.500 0.176 0.000 2.538 387 R HA -0.041 4.299 4.340 -0.001 0.000 0.282 387 R C 0.088 176.569 176.300 0.302 0.000 1.009 387 R CA 0.691 56.905 56.100 0.190 0.000 1.063 387 R CB 0.434 30.814 30.300 0.134 0.000 0.945 387 R HN 0.373 nan 8.270 nan 0.000 0.414 388 Q N 2.358 122.341 119.800 0.304 0.000 2.377 388 Q HA 0.255 4.595 4.340 -0.001 0.000 0.279 388 Q C -1.374 174.542 176.000 -0.140 0.000 1.049 388 Q CA -1.033 54.878 55.803 0.180 0.000 0.825 388 Q CB 1.481 30.300 28.738 0.135 0.000 1.401 388 Q HN 0.583 nan 8.270 nan 0.000 0.404 389 E N 1.373 121.208 120.200 -0.608 0.000 2.383 389 E HA 0.219 4.568 4.350 -0.001 0.000 0.264 389 E C -0.678 175.616 176.600 -0.510 0.000 1.050 389 E CA -0.358 55.398 56.400 -1.073 0.000 0.896 389 E CB 0.724 29.767 29.700 -1.095 0.000 0.982 389 E HN 0.386 nan 8.360 nan 0.000 0.424 390 I N 3.330 123.607 120.570 -0.488 0.000 2.410 390 I HA 0.203 4.373 4.170 -0.001 0.000 0.286 390 I C 0.201 176.151 176.117 -0.279 0.000 1.009 390 I CA -0.318 60.818 61.300 -0.272 0.000 1.111 390 I CB 1.028 38.916 38.000 -0.186 0.000 1.262 390 I HN 0.326 nan 8.210 nan 0.000 0.443 391 R N 3.443 123.818 120.500 -0.208 0.000 2.705 391 R HA 0.482 4.822 4.340 -0.001 0.000 0.246 391 R C -0.038 176.160 176.300 -0.169 0.000 1.142 391 R CA -0.882 55.098 56.100 -0.199 0.000 1.114 391 R CB 0.783 31.015 30.300 -0.113 0.000 1.256 391 R HN 0.499 nan 8.270 nan 0.000 0.536 392 H N 0.061 119.111 119.070 -0.033 0.000 3.004 392 H HA 0.187 4.743 4.556 -0.001 0.000 0.316 392 H C 1.516 176.836 175.328 -0.015 0.000 1.014 392 H CA 1.726 57.764 56.048 -0.016 0.000 1.454 392 H CB 0.753 30.510 29.762 -0.008 0.000 1.472 392 H HN 0.990 nan 8.280 nan 0.000 0.571 393 G N 3.849 112.716 108.800 0.112 0.000 2.234 393 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.235 393 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.235 393 G C -0.061 174.852 174.900 0.021 0.000 0.997 393 G CA -0.004 45.129 45.100 0.055 0.000 0.623 393 G HN 0.560 nan 8.290 nan 0.000 0.514 394 D N 1.258 121.662 120.400 0.006 0.000 2.345 394 D HA 0.555 5.195 4.640 -0.001 0.000 0.247 394 D C 0.661 176.961 176.300 0.000 0.000 1.108 394 D CA 0.894 54.891 54.000 -0.005 0.000 0.894 394 D CB 1.606 42.390 40.800 -0.028 0.000 1.203 394 D HN 0.650 nan 8.370 nan 0.000 0.430 395 S N 0.727 116.432 115.700 0.009 0.000 2.568 395 S HA 0.747 5.217 4.470 -0.001 0.000 0.293 395 S C -0.581 174.044 174.600 0.041 0.000 1.089 395 S CA -0.939 57.269 58.200 0.013 0.000 0.945 395 S CB 1.151 64.342 63.200 -0.014 0.000 1.077 395 S HN 0.334 nan 8.310 nan 0.000 0.485 396 I N 2.185 122.786 120.570 0.052 0.000 2.410 396 I HA 0.370 4.540 4.170 -0.001 0.000 0.286 396 I C -0.494 175.670 176.117 0.078 0.000 1.009 396 I CA -0.408 60.944 61.300 0.086 0.000 1.111 396 I CB 2.046 40.094 38.000 0.081 0.000 1.262 396 I HN 0.585 nan 8.210 nan 0.000 0.443 397 S N 7.161 122.911 115.700 0.084 0.000 2.456 397 S HA 0.660 5.129 4.470 -0.001 0.000 0.316 397 S C -0.330 174.322 174.600 0.086 0.000 1.089 397 S CA -0.466 57.774 58.200 0.066 0.000 1.101 397 S CB 0.990 64.214 63.200 0.039 0.000 0.995 397 S HN 0.345 nan 8.310 nan 0.000 0.468 398 I N 3.199 123.816 120.570 0.079 0.000 2.433 398 I HA 0.542 4.712 4.170 -0.001 0.000 0.292 398 I C 0.288 176.442 176.117 0.062 0.000 1.001 398 I CA -0.341 61.010 61.300 0.084 0.000 1.119 398 I CB 2.067 40.120 38.000 0.087 0.000 1.289 398 I HN 0.632 nan 8.210 nan 0.000 0.438 399 T N -0.066 114.524 114.554 0.060 0.000 2.841 399 T HA 0.436 4.786 4.350 -0.001 0.000 0.296 399 T C -0.283 174.443 174.700 0.043 0.000 1.166 399 T CA -0.834 61.290 62.100 0.041 0.000 1.007 399 T CB 1.575 70.459 68.868 0.027 0.000 1.253 399 T HN 0.345 nan 8.240 nan 0.000 0.511 400 T N 2.472 117.043 114.554 0.028 0.000 2.870 400 T HA 0.398 4.748 4.350 -0.001 0.000 0.300 400 T C 0.663 175.374 174.700 0.018 0.000 0.989 400 T CA -0.096 62.020 62.100 0.027 0.000 1.139 400 T CB 0.801 69.678 68.868 0.014 0.000 0.920 400 T HN 0.827 nan 8.240 nan 0.000 0.537 401 S N 1.273 116.994 115.700 0.035 0.000 2.584 401 S HA 0.018 4.488 4.470 -0.001 0.000 0.270 401 S C 1.266 175.844 174.600 -0.038 0.000 1.346 401 S CA -0.792 57.425 58.200 0.029 0.000 1.018 401 S CB 0.101 63.360 63.200 0.098 0.000 0.899 401 S HN 0.868 nan 8.310 nan 0.000 0.542 402 C N 2.939 122.142 119.300 -0.161 0.000 2.697 402 C HA 0.338 4.798 4.460 -0.001 0.000 0.267 402 C C -0.314 174.487 174.990 -0.315 0.000 1.278 402 C CA -0.474 58.370 59.018 -0.290 0.000 1.708 402 C CB -1.752 25.723 27.740 -0.442 0.000 1.860 402 C HN 0.771 nan 8.230 nan 0.000 0.589 403 Y N 1.950 122.262 120.300 0.019 0.000 2.919 403 Y HA 0.343 4.893 4.550 -0.001 0.000 0.341 403 Y C -2.173 173.742 175.900 0.025 0.000 1.045 403 Y CA -3.400 54.712 58.100 0.020 0.000 1.218 403 Y CB -0.149 38.328 38.460 0.028 0.000 1.137 403 Y HN 0.175 nan 8.280 nan 0.000 0.577 404 P HA 0.140 nan 4.420 nan 0.000 0.276 404 P C -0.462 176.890 177.300 0.085 0.000 1.252 404 P CA -0.563 62.593 63.100 0.093 0.000 0.802 404 P CB 1.919 33.653 31.700 0.055 0.000 1.035 405 L N 3.282 124.549 121.223 0.073 0.000 2.278 405 L HA 0.346 4.686 4.340 -0.001 0.000 0.287 405 L C -2.190 174.708 176.870 0.046 0.000 1.072 405 L CA -2.153 52.722 54.840 0.058 0.000 0.819 405 L CB 0.755 42.858 42.059 0.072 0.000 1.176 405 L HN 0.201 nan 8.230 nan 0.000 0.435 406 P HA 0.098 nan 4.420 nan 0.000 0.280 406 P C -0.823 176.510 177.300 0.054 0.000 1.386 406 P CA -0.173 62.942 63.100 0.025 0.000 0.899 406 P CB 1.138 32.831 31.700 -0.012 0.000 1.098 407 S N 4.185 119.930 115.700 0.074 0.000 2.439 407 S HA 0.349 4.818 4.470 -0.001 0.000 0.282 407 S C 0.562 175.239 174.600 0.129 0.000 1.170 407 S CA -0.554 57.714 58.200 0.112 0.000 1.054 407 S CB -0.303 62.963 63.200 0.111 0.000 0.956 407 S HN 0.264 nan 8.310 nan 0.000 0.490 408 I N 3.814 124.500 120.570 0.193 0.000 2.634 408 I HA 0.114 4.284 4.170 -0.001 0.000 0.284 408 I C 0.205 176.477 176.117 0.259 0.000 1.124 408 I CA -0.318 61.131 61.300 0.249 0.000 1.417 408 I CB 0.430 38.621 38.000 0.319 0.000 1.396 408 I HN 0.499 nan 8.210 nan 0.000 0.571 409 C N 5.220 124.603 119.300 0.137 0.000 2.370 409 C HA 0.434 4.894 4.460 -0.001 0.000 0.354 409 C C 1.703 176.548 174.990 -0.242 0.000 1.218 409 C CA -0.659 58.330 59.018 -0.047 0.000 2.154 409 C CB 0.786 28.524 27.740 -0.003 0.000 2.391 409 C HN 0.796 nan 8.230 nan 0.000 0.540 410 V N 2.018 121.602 119.914 -0.549 0.000 2.379 410 V HA 0.050 4.170 4.120 -0.001 0.000 0.245 410 V C 2.192 178.164 176.094 -0.203 0.000 1.044 410 V CA 2.828 64.752 62.300 -0.627 0.000 1.036 410 V CB -0.865 30.586 31.823 -0.620 0.000 0.664 410 V HN 1.004 nan 8.190 nan 0.000 0.453 411 R N 0.183 120.607 120.500 -0.127 0.000 2.580 411 R HA 0.540 4.879 4.340 -0.001 0.000 0.161 411 R C 0.587 176.880 176.300 -0.013 0.000 1.659 411 R CA 1.331 57.405 56.100 -0.044 0.000 1.325 411 R CB -0.504 29.778 30.300 -0.030 0.000 1.254 411 R HN 0.854 nan 8.270 nan 0.000 0.474 412 D N -3.110 117.293 120.400 0.004 0.000 2.615 412 D HA 0.404 5.043 4.640 -0.001 0.000 0.267 412 D C -2.414 173.929 176.300 0.070 0.000 1.236 412 D CA -1.399 52.621 54.000 0.033 0.000 0.839 412 D CB 2.334 43.155 40.800 0.035 0.000 1.380 412 D HN -0.020 nan 8.370 nan 0.000 0.433 413 P HA -0.160 nan 4.420 nan 0.000 0.216 413 P C 1.687 179.167 177.300 0.299 0.000 1.157 413 P CA 2.250 65.448 63.100 0.162 0.000 0.880 413 P CB -0.143 31.647 31.700 0.151 0.000 0.791 414 V N -0.842 119.214 119.914 0.236 0.000 2.244 414 V HA -0.266 3.854 4.120 -0.001 0.000 0.244 414 V C 2.446 178.706 176.094 0.278 0.000 1.042 414 V CA 2.875 65.338 62.300 0.272 0.000 1.006 414 V CB -1.567 30.291 31.823 0.060 0.000 0.641 414 V HN 0.025 nan 8.190 nan 0.000 0.446 415 S N 0.441 116.232 115.700 0.152 0.000 2.365 415 S HA -0.262 4.208 4.470 -0.001 0.000 0.225 415 S C 1.901 176.558 174.600 0.096 0.000 1.039 415 S CA 1.830 60.091 58.200 0.102 0.000 1.033 415 S CB -0.570 62.659 63.200 0.048 0.000 0.887 415 S HN 0.835 nan 8.310 nan 0.000 0.447 416 D N -0.121 120.334 120.400 0.091 0.000 2.104 416 D HA -0.111 4.529 4.640 -0.001 0.000 0.194 416 D C 1.396 177.743 176.300 0.078 0.000 0.994 416 D CA 0.847 54.870 54.000 0.040 0.000 0.830 416 D CB -0.307 40.503 40.800 0.017 0.000 0.959 416 D HN 0.542 nan 8.370 nan 0.000 0.452 417 W N 0.566 121.872 121.300 0.011 0.000 2.381 417 W HA -0.131 4.529 4.660 -0.001 0.000 0.301 417 W C 2.679 179.235 176.519 0.062 0.000 1.205 417 W CA 2.697 60.061 57.345 0.031 0.000 1.285 417 W CB -0.729 28.690 29.460 -0.068 0.000 1.133 417 W HN -0.023 nan 8.180 nan 0.000 0.521 418 F N -0.045 120.069 119.950 0.274 0.000 2.134 418 F HA -0.167 4.359 4.527 -0.001 0.000 0.299 418 F C 1.996 177.752 175.800 -0.073 0.000 1.097 418 F CA 2.478 60.549 58.000 0.118 0.000 1.264 418 F CB -1.651 37.450 39.000 0.168 0.000 1.001 418 F HN 0.022 nan 8.300 nan 0.000 0.479 419 E N -0.366 119.783 120.200 -0.085 0.000 2.077 419 E HA -0.190 4.159 4.350 -0.001 0.000 0.193 419 E C 2.513 178.944 176.600 -0.282 0.000 0.989 419 E CA 1.522 57.835 56.400 -0.146 0.000 0.800 419 E CB -0.811 28.820 29.700 -0.116 0.000 0.746 419 E HN 0.721 nan 8.360 nan 0.000 0.452 420 S N -0.056 115.387 115.700 -0.429 0.000 2.383 420 S HA -0.052 4.417 4.470 -0.001 0.000 0.227 420 S C 1.808 175.865 174.600 -0.906 0.000 1.026 420 S CA 1.164 58.890 58.200 -0.790 0.000 0.981 420 S CB -0.363 62.175 63.200 -1.103 0.000 0.818 420 S HN 0.363 nan 8.310 nan 0.000 0.472 421 L N 1.792 122.612 121.223 -0.671 0.000 2.044 421 L HA 0.105 4.445 4.340 -0.001 0.000 0.205 421 L C 2.365 179.086 176.870 -0.249 0.000 1.075 421 L CA 1.715 56.298 54.840 -0.427 0.000 0.747 421 L CB -0.962 40.805 42.059 -0.486 0.000 0.903 421 L HN 0.236 nan 8.230 nan 0.000 0.435 422 A N -1.485 121.210 122.820 -0.208 0.000 1.902 422 A HA -0.236 4.083 4.320 -0.001 0.000 0.217 422 A C 2.215 179.716 177.584 -0.138 0.000 1.181 422 A CA 1.916 53.875 52.037 -0.131 0.000 0.623 422 A CB -0.784 18.156 19.000 -0.100 0.000 0.818 422 A HN 0.503 nan 8.150 nan 0.000 0.443 423 Q N -1.874 117.809 119.800 -0.196 0.000 2.123 423 Q HA -0.163 4.177 4.340 -0.001 0.000 0.199 423 Q C 2.397 178.300 176.000 -0.162 0.000 0.966 423 Q CA 1.140 56.835 55.803 -0.180 0.000 0.845 423 Q CB -1.317 27.283 28.738 -0.229 0.000 0.907 423 Q HN 0.906 nan 8.270 nan 0.000 0.439 424 C N 0.027 119.207 119.300 -0.200 0.000 2.429 424 C HA -0.008 4.451 4.460 -0.001 0.000 0.277 424 C C 2.237 177.197 174.990 -0.051 0.000 1.262 424 C CA 0.942 59.896 59.018 -0.107 0.000 1.733 424 C CB -1.106 26.606 27.740 -0.045 0.000 2.010 424 C HN 0.663 nan 8.230 nan 0.000 0.483 425 L N -0.160 121.027 121.223 -0.059 0.000 2.558 425 L HA 0.160 4.499 4.340 -0.001 0.000 0.225 425 L C 2.743 179.592 176.870 -0.035 0.000 1.128 425 L CA 1.034 55.853 54.840 -0.035 0.000 0.868 425 L CB -0.978 41.063 42.059 -0.031 0.000 1.006 425 L HN 0.709 nan 8.230 nan 0.000 0.454 426 H N -1.509 117.532 119.070 -0.048 0.000 2.399 426 H HA 0.147 4.702 4.556 -0.001 0.000 0.300 426 H C 1.568 176.878 175.328 -0.031 0.000 1.048 426 H CA 0.806 56.830 56.048 -0.040 0.000 1.370 426 H CB -0.821 28.911 29.762 -0.049 0.000 1.428 426 H HN 0.565 nan 8.280 nan 0.000 0.534 427 H N 0.000 119.049 119.070 -0.036 0.000 2.539 427 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 427 H CA 0.000 56.033 56.048 -0.026 0.000 1.023 427 H CB 0.000 29.744 29.762 -0.029 0.000 1.292 427 H HN 0.000 nan 8.280 nan 0.000 0.496