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 1al0_1_F DATA FIRST_RESID 4 DATA SEQUENCE QTGAERMPHD LSHLGFLAGQ IGRLITISTT PVIAGDSFEM DAVGALRLSP DATA SEQUENCE LRRGLAIDST VDIFTFYVPH RHVYGEQWIK FMKDGVNATP LPTVNTTGYI DATA SEQUENCE DHAAFLGTIN PDTNKIPKHL FQGYLNIYNN YFKAPWMPDR TEANPNELNQ DATA SEQUENCE DDARYGFRCC HLKNIWTAPL PPETELSRQM TTSTTSIDIM GLQAAYANLH DATA SEQUENCE TDQERDYFMQ RYRDVISSFG GKTSYDADNR PLLVMRSNLW ASGYDVDGTD DATA SEQUENCE QTSLGQFSGR VQQTYKHSVP RFFVPEHGTM FTLALVRFPP TATKEIQYLN DATA SEQUENCE AKGALTYTDI AGDPVLYGNL PPREISMKDV FRSGDSSKKF KIAEGQWYRY DATA SEQUENCE APSYVSPAYH LLEGFPFIQE PPSGDLQERV LIRHHDYDQC FQSVQLLQWN DATA SEQUENCE SQVKFNVTVY RNLPTTRD 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.018 176.000 0.029 0.000 1.003 4 Q CA 0.000 55.817 55.803 0.023 0.000 1.022 4 Q CB 0.000 28.754 28.738 0.026 0.000 1.108 5 T N -1.721 112.848 114.554 0.025 0.000 4.261 5 T HA -0.297 4.052 4.350 -0.000 0.000 0.217 5 T C 1.015 175.747 174.700 0.052 0.000 0.962 5 T CA 2.159 64.279 62.100 0.033 0.000 1.398 5 T CB -1.383 67.490 68.868 0.008 0.000 0.861 5 T HN 1.314 nan 8.240 nan 0.000 0.643 6 G N 0.495 109.321 108.800 0.044 0.000 2.738 6 G HA2 0.250 4.210 3.960 -0.000 0.000 0.262 6 G HA3 0.250 4.210 3.960 -0.000 0.000 0.262 6 G C 0.381 175.319 174.900 0.063 0.000 1.032 6 G CA 0.136 45.269 45.100 0.056 0.000 1.278 6 G HN 1.634 nan 8.290 nan 0.000 0.537 7 A N 0.981 123.828 122.820 0.046 0.000 2.308 7 A HA 0.512 4.831 4.320 -0.000 0.000 0.217 7 A C 1.270 178.888 177.584 0.056 0.000 1.216 7 A CA 1.135 53.198 52.037 0.044 0.000 0.864 7 A CB 0.192 19.202 19.000 0.017 0.000 0.902 7 A HN 0.792 nan 8.150 nan 0.000 0.499 8 E N 1.660 121.895 120.200 0.058 0.000 2.330 8 E HA 0.016 4.366 4.350 -0.000 0.000 0.210 8 E C 0.374 177.021 176.600 0.079 0.000 1.256 8 E CA -0.339 56.097 56.400 0.059 0.000 1.346 8 E CB -0.201 29.527 29.700 0.047 0.000 1.308 8 E HN 0.592 nan 8.360 nan 0.000 0.441 9 R N -0.097 120.466 120.500 0.106 0.000 2.573 9 R HA 0.451 4.791 4.340 -0.000 0.000 0.272 9 R C -0.244 176.146 176.300 0.149 0.000 1.009 9 R CA -0.834 55.352 56.100 0.143 0.000 1.059 9 R CB 0.767 31.175 30.300 0.181 0.000 1.112 9 R HN 0.030 nan 8.270 nan 0.000 0.517 10 M N 1.409 121.086 119.600 0.128 0.000 2.654 10 M HA 0.483 4.963 4.480 -0.000 0.000 0.310 10 M C -2.369 173.930 176.300 -0.003 0.000 1.211 10 M CA -3.278 52.038 55.300 0.027 0.000 0.947 10 M CB 1.330 33.861 32.600 -0.114 0.000 1.647 10 M HN 0.518 nan 8.290 nan 0.000 0.481 11 P HA 0.323 nan 4.420 nan 0.000 0.292 11 P C -1.388 175.722 177.300 -0.317 0.000 1.287 11 P CA -0.181 62.692 63.100 -0.378 0.000 0.800 11 P CB 0.508 31.844 31.700 -0.606 0.000 0.945 12 H N 0.331 119.314 119.070 -0.145 0.000 2.492 12 H HA 0.314 4.870 4.556 -0.000 0.000 0.345 12 H C -0.323 174.966 175.328 -0.066 0.000 1.136 12 H CA -0.165 55.847 56.048 -0.060 0.000 1.202 12 H CB 0.948 30.712 29.762 0.003 0.000 1.524 12 H HN 0.295 nan 8.280 nan 0.000 0.506 13 D N 2.953 123.396 120.400 0.073 0.000 2.494 13 D HA 0.085 4.725 4.640 -0.000 0.000 0.217 13 D C 0.032 176.387 176.300 0.091 0.000 1.153 13 D CA -0.081 53.944 54.000 0.043 0.000 0.954 13 D CB 0.152 40.962 40.800 0.016 0.000 1.034 13 D HN 0.483 nan 8.370 nan 0.000 0.518 14 L N 2.167 123.458 121.223 0.113 0.000 2.688 14 L HA 0.122 4.461 4.340 -0.000 0.000 0.234 14 L C 0.754 177.765 176.870 0.236 0.000 1.192 14 L CA -0.306 54.633 54.840 0.165 0.000 0.984 14 L CB -0.598 41.574 42.059 0.187 0.000 1.232 14 L HN 0.260 nan 8.230 nan 0.000 0.465 15 S N 0.279 116.073 115.700 0.157 0.000 2.572 15 S HA 0.251 4.721 4.470 -0.000 0.000 0.279 15 S C -0.162 174.575 174.600 0.227 0.000 1.341 15 S CA -0.399 57.885 58.200 0.140 0.000 1.043 15 S CB 0.553 63.786 63.200 0.054 0.000 0.887 15 S HN 0.445 nan 8.310 nan 0.000 0.516 16 H N 0.266 119.415 119.070 0.132 0.000 3.123 16 H HA 0.358 4.914 4.556 -0.000 0.000 0.346 16 H C -1.546 173.867 175.328 0.141 0.000 1.138 16 H CA -1.096 55.019 56.048 0.112 0.000 1.273 16 H CB 0.051 29.873 29.762 0.099 0.000 1.926 16 H HN 0.563 nan 8.280 nan 0.000 0.524 17 L N 1.887 123.180 121.223 0.116 0.000 2.397 17 L HA 0.552 4.891 4.340 -0.000 0.000 0.271 17 L C 0.847 177.703 176.870 -0.024 0.000 1.148 17 L CA -0.239 54.547 54.840 -0.089 0.000 0.825 17 L CB 1.075 42.997 42.059 -0.229 0.000 1.117 17 L HN 0.878 nan 8.230 nan 0.000 0.456 18 G N 2.413 111.128 108.800 -0.142 0.000 2.805 18 G HA2 0.543 4.503 3.960 -0.000 0.000 0.283 18 G HA3 0.543 4.503 3.960 -0.000 0.000 0.283 18 G C -1.015 173.751 174.900 -0.225 0.000 1.508 18 G CA -0.372 44.727 45.100 -0.001 0.000 1.042 18 G HN 0.300 nan 8.290 nan 0.000 0.543 19 F N 3.477 123.475 119.950 0.080 0.000 2.439 19 F HA 0.406 4.933 4.527 -0.000 0.000 0.356 19 F C 1.008 176.827 175.800 0.031 0.000 1.161 19 F CA -0.543 57.480 58.000 0.039 0.000 1.151 19 F CB 0.564 39.576 39.000 0.019 0.000 1.222 19 F HN 0.477 nan 8.300 nan 0.000 0.558 20 L N 1.451 122.758 121.223 0.141 0.000 2.391 20 L HA 1.101 5.441 4.340 -0.000 0.000 0.266 20 L C -0.459 176.372 176.870 -0.064 0.000 1.035 20 L CA -1.028 53.845 54.840 0.056 0.000 0.877 20 L CB 1.894 44.000 42.059 0.078 0.000 1.504 20 L HN 0.459 nan 8.230 nan 0.000 0.503 21 A N -1.522 121.129 122.820 -0.283 0.000 2.550 21 A HA 0.739 5.059 4.320 -0.000 0.000 0.295 21 A C -0.660 176.400 177.584 -0.874 0.000 1.001 21 A CA 0.045 51.717 52.037 -0.608 0.000 0.660 21 A CB 0.431 19.227 19.000 -0.339 0.000 1.308 21 A HN 1.439 nan 8.150 nan 0.000 0.426 22 G N -0.669 107.274 108.800 -1.428 0.000 2.677 22 G HA2 0.593 4.553 3.960 -0.000 0.000 0.283 22 G HA3 0.593 4.553 3.960 -0.000 0.000 0.283 22 G C -1.872 172.611 174.900 -0.695 0.000 1.221 22 G CA -0.202 44.301 45.100 -0.995 0.000 0.851 22 G HN 0.856 nan 8.290 nan 0.000 0.504 23 Q N 0.038 119.799 119.800 -0.065 0.000 2.356 23 Q HA 0.538 4.878 4.340 -0.000 0.000 0.270 23 Q C -0.677 175.536 176.000 0.355 0.000 1.058 23 Q CA -0.898 54.975 55.803 0.117 0.000 0.802 23 Q CB 1.888 30.593 28.738 -0.055 0.000 1.303 23 Q HN 0.688 nan 8.270 nan 0.000 0.444 24 I N 2.323 123.061 120.570 0.281 0.000 2.517 24 I HA 0.317 4.487 4.170 -0.000 0.000 0.285 24 I C 0.865 177.047 176.117 0.107 0.000 1.106 24 I CA 1.697 63.087 61.300 0.150 0.000 1.402 24 I CB -0.010 38.021 38.000 0.051 0.000 1.399 24 I HN 0.897 nan 8.210 nan 0.000 0.535 25 G N 6.449 115.286 108.800 0.061 0.000 2.195 25 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.224 25 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.224 25 G C 0.175 175.113 174.900 0.064 0.000 0.990 25 G CA -0.361 44.779 45.100 0.065 0.000 0.639 25 G HN 0.613 nan 8.290 nan 0.000 0.514 26 R N -0.334 120.211 120.500 0.074 0.000 2.513 26 R HA 0.590 4.929 4.340 -0.000 0.000 0.301 26 R C -0.558 175.788 176.300 0.078 0.000 0.968 26 R CA -0.960 55.179 56.100 0.066 0.000 0.872 26 R CB 2.186 32.501 30.300 0.025 0.000 1.177 26 R HN 0.198 nan 8.270 nan 0.000 0.444 27 L N 4.901 126.131 121.223 0.011 0.000 2.456 27 L HA 0.259 4.599 4.340 -0.000 0.000 0.277 27 L C -0.743 176.179 176.870 0.087 0.000 1.124 27 L CA 0.611 55.417 54.840 -0.057 0.000 0.880 27 L CB 0.064 41.903 42.059 -0.368 0.000 1.192 27 L HN 0.511 nan 8.230 nan 0.000 0.463 28 I N 3.745 124.398 120.570 0.138 0.000 2.562 28 I HA 0.338 4.508 4.170 -0.000 0.000 0.301 28 I C 0.328 176.524 176.117 0.131 0.000 1.003 28 I CA -0.807 60.577 61.300 0.139 0.000 1.127 28 I CB 2.055 40.158 38.000 0.172 0.000 1.304 28 I HN 0.588 nan 8.210 nan 0.000 0.446 29 T N 2.749 117.329 114.554 0.044 0.000 2.907 29 T HA 0.428 4.778 4.350 -0.000 0.000 0.298 29 T C 0.889 175.609 174.700 0.033 0.000 1.017 29 T CA -0.457 61.644 62.100 0.002 0.000 1.118 29 T CB 1.725 70.475 68.868 -0.196 0.000 0.948 29 T HN 0.427 nan 8.240 nan 0.000 0.531 30 I N 0.873 121.496 120.570 0.088 0.000 3.339 30 I HA 0.151 4.321 4.170 -0.000 0.000 0.285 30 I C 1.187 177.356 176.117 0.087 0.000 1.201 30 I CA 0.187 61.590 61.300 0.173 0.000 1.434 30 I CB 0.422 38.629 38.000 0.346 0.000 1.152 30 I HN 0.857 nan 8.210 nan 0.000 0.443 31 S N 0.446 116.105 115.700 -0.069 0.000 2.565 31 S HA 0.437 4.907 4.470 -0.000 0.000 0.274 31 S C -0.728 173.790 174.600 -0.138 0.000 1.144 31 S CA -0.482 57.614 58.200 -0.173 0.000 0.849 31 S CB 1.781 64.648 63.200 -0.556 0.000 1.103 31 S HN 0.120 nan 8.310 nan 0.000 0.455 32 T N 0.244 114.732 114.554 -0.109 0.000 2.928 32 T HA 0.725 5.074 4.350 -0.000 0.000 0.296 32 T C -0.552 174.147 174.700 -0.001 0.000 1.000 32 T CA -0.444 61.628 62.100 -0.046 0.000 0.989 32 T CB 1.101 69.897 68.868 -0.120 0.000 1.005 32 T HN 1.255 nan 8.240 nan 0.000 0.442 33 T N 0.803 115.375 114.554 0.030 0.000 2.815 33 T HA 0.624 4.974 4.350 -0.000 0.000 0.289 33 T C -3.126 171.590 174.700 0.026 0.000 1.000 33 T CA -2.192 59.941 62.100 0.055 0.000 0.958 33 T CB 1.011 69.982 68.868 0.172 0.000 0.944 33 T HN 0.354 nan 8.240 nan 0.000 0.442 34 P HA 0.353 nan 4.420 nan 0.000 0.271 34 P C -0.572 176.770 177.300 0.071 0.000 1.226 34 P CA -0.454 62.690 63.100 0.073 0.000 0.765 34 P CB 0.684 32.453 31.700 0.115 0.000 0.835 35 V N 4.755 124.701 119.914 0.054 0.000 2.630 35 V HA 0.424 4.544 4.120 -0.000 0.000 0.305 35 V C 0.714 176.886 176.094 0.130 0.000 1.046 35 V CA -0.752 61.594 62.300 0.076 0.000 0.934 35 V CB 1.772 33.620 31.823 0.042 0.000 1.003 35 V HN 0.432 nan 8.190 nan 0.000 0.451 36 I N 1.533 122.163 120.570 0.099 0.000 3.062 36 I HA 0.629 4.799 4.170 -0.000 0.000 0.316 36 I C 0.680 176.719 176.117 -0.130 0.000 1.041 36 I CA -0.834 60.511 61.300 0.076 0.000 1.069 36 I CB 1.598 39.642 38.000 0.074 0.000 1.300 36 I HN 0.735 nan 8.210 nan 0.000 0.518 37 A N 1.937 124.483 122.820 -0.458 0.000 2.409 37 A HA 0.515 4.835 4.320 -0.000 0.000 0.267 37 A C 0.583 178.004 177.584 -0.273 0.000 1.127 37 A CA 0.407 52.219 52.037 -0.374 0.000 0.795 37 A CB -0.185 18.538 19.000 -0.462 0.000 1.061 37 A HN 1.170 nan 8.150 nan 0.000 0.502 38 G N 2.573 111.137 108.800 -0.392 0.000 2.325 38 G HA2 -0.121 3.838 3.960 -0.000 0.000 0.248 38 G HA3 -0.121 3.838 3.960 -0.000 0.000 0.248 38 G C -0.162 174.613 174.900 -0.209 0.000 1.108 38 G CA 0.298 45.160 45.100 -0.397 0.000 0.881 38 G HN 0.688 nan 8.290 nan 0.000 0.494 39 D N -0.559 119.693 120.400 -0.247 0.000 2.454 39 D HA 0.276 4.915 4.640 -0.000 0.000 0.219 39 D C 1.663 178.033 176.300 0.116 0.000 1.081 39 D CA 1.399 55.399 54.000 0.000 0.000 0.867 39 D CB 0.419 41.257 40.800 0.062 0.000 1.054 39 D HN 0.764 nan 8.370 nan 0.000 0.500 40 S N -0.454 115.286 115.700 0.066 0.000 2.061 40 S HA -0.315 4.154 4.470 -0.000 0.000 0.236 40 S C 0.416 175.196 174.600 0.300 0.000 1.096 40 S CA 0.728 59.017 58.200 0.149 0.000 1.537 40 S CB -2.073 61.151 63.200 0.039 0.000 1.961 40 S HN 0.344 nan 8.310 nan 0.000 0.571 41 F N 2.319 122.388 119.950 0.198 0.000 1.830 41 F HA -0.071 4.456 4.527 -0.000 0.000 0.417 41 F C -0.149 175.778 175.800 0.212 0.000 0.801 41 F CA 1.906 60.032 58.000 0.209 0.000 0.885 41 F CB -0.141 38.965 39.000 0.176 0.000 0.748 41 F HN 0.509 nan 8.300 nan 0.000 0.576 42 E N 8.400 128.305 120.200 -0.492 0.000 2.246 42 E HA 0.518 4.868 4.350 -0.000 0.000 0.266 42 E C -1.256 175.032 176.600 -0.520 0.000 0.880 42 E CA -1.061 55.126 56.400 -0.355 0.000 0.762 42 E CB 1.339 31.049 29.700 0.016 0.000 1.180 42 E HN 0.722 nan 8.360 nan 0.000 0.416 43 M N 3.755 123.113 119.600 -0.403 0.000 2.530 43 M HA 0.443 4.922 4.480 -0.000 0.000 0.307 43 M C -1.892 174.385 176.300 -0.038 0.000 1.161 43 M CA -0.530 54.648 55.300 -0.202 0.000 0.903 43 M CB 1.988 34.531 32.600 -0.095 0.000 1.711 43 M HN 0.364 nan 8.290 nan 0.000 0.451 44 D N 3.725 124.134 120.400 0.015 0.000 2.402 44 D HA 0.490 5.129 4.640 -0.000 0.000 0.252 44 D C -1.376 174.954 176.300 0.050 0.000 1.294 44 D CA 0.032 54.046 54.000 0.023 0.000 0.948 44 D CB 1.913 42.706 40.800 -0.013 0.000 1.202 44 D HN 0.710 nan 8.370 nan 0.000 0.561 45 A N 2.138 125.024 122.820 0.110 0.000 2.260 45 A HA 0.677 4.996 4.320 -0.000 0.000 0.314 45 A C -0.301 177.221 177.584 -0.103 0.000 1.257 45 A CA -0.449 51.602 52.037 0.024 0.000 0.871 45 A CB 0.819 19.925 19.000 0.178 0.000 1.166 45 A HN 0.287 nan 8.150 nan 0.000 0.522 46 V N 1.822 121.580 119.914 -0.260 0.000 2.769 46 V HA 0.943 5.063 4.120 -0.000 0.000 0.312 46 V C 0.631 176.414 176.094 -0.519 0.000 1.061 46 V CA 0.403 62.497 62.300 -0.343 0.000 0.931 46 V CB 1.733 33.424 31.823 -0.220 0.000 1.010 46 V HN 1.562 nan 8.190 nan 0.000 0.433 47 G N 1.878 110.258 108.800 -0.700 0.000 2.325 47 G HA2 0.726 4.686 3.960 -0.000 0.000 0.295 47 G HA3 0.726 4.686 3.960 -0.000 0.000 0.295 47 G C -1.565 172.995 174.900 -0.567 0.000 1.274 47 G CA 0.064 44.795 45.100 -0.616 0.000 0.857 47 G HN 1.191 nan 8.290 nan 0.000 0.499 48 A N -0.955 121.731 122.820 -0.222 0.000 2.401 48 A HA 0.846 5.166 4.320 -0.000 0.000 0.310 48 A C -1.396 176.343 177.584 0.258 0.000 1.075 48 A CA -0.586 51.471 52.037 0.034 0.000 0.746 48 A CB 1.913 20.942 19.000 0.049 0.000 1.277 48 A HN 1.757 nan 8.150 nan 0.000 0.425 49 L N 1.635 123.048 121.223 0.317 0.000 2.346 49 L HA 0.793 5.133 4.340 -0.000 0.000 0.276 49 L C -0.103 176.890 176.870 0.204 0.000 1.006 49 L CA -0.094 54.916 54.840 0.284 0.000 0.817 49 L CB 1.403 43.548 42.059 0.143 0.000 1.272 49 L HN 0.875 nan 8.230 nan 0.000 0.421 50 R N 4.364 125.003 120.500 0.230 0.000 2.905 50 R HA 0.779 5.119 4.340 -0.000 0.000 0.260 50 R C -1.593 174.850 176.300 0.238 0.000 1.086 50 R CA -1.047 55.173 56.100 0.200 0.000 0.978 50 R CB 1.825 32.230 30.300 0.176 0.000 1.215 50 R HN 0.509 nan 8.270 nan 0.000 0.480 51 L N 0.768 122.133 121.223 0.238 0.000 2.401 51 L HA 0.400 4.740 4.340 -0.000 0.000 0.266 51 L C -0.277 176.789 176.870 0.327 0.000 0.991 51 L CA -0.974 54.067 54.840 0.336 0.000 0.818 51 L CB 2.476 44.793 42.059 0.430 0.000 1.321 51 L HN 0.711 nan 8.230 nan 0.000 0.413 52 S N 2.703 118.599 115.700 0.327 0.000 2.563 52 S HA 0.077 4.547 4.470 -0.000 0.000 0.284 52 S C -2.327 172.500 174.600 0.378 0.000 1.331 52 S CA -0.850 57.522 58.200 0.286 0.000 1.047 52 S CB -0.309 63.010 63.200 0.198 0.000 0.859 52 S HN 0.436 nan 8.310 nan 0.000 0.514 53 P HA -0.062 nan 4.420 nan 0.000 0.253 53 P C -0.282 177.086 177.300 0.113 0.000 1.159 53 P CA 0.410 63.584 63.100 0.124 0.000 0.779 53 P CB -0.088 31.657 31.700 0.074 0.000 0.745 54 L N 3.777 125.010 121.223 0.018 0.000 2.473 54 L HA 0.151 4.491 4.340 -0.000 0.000 0.268 54 L C 2.345 179.148 176.870 -0.113 0.000 1.215 54 L CA -0.427 54.322 54.840 -0.151 0.000 0.823 54 L CB 0.140 42.085 42.059 -0.190 0.000 1.099 54 L HN 0.365 nan 8.230 nan 0.000 0.483 55 R N 0.511 120.909 120.500 -0.170 0.000 2.062 55 R HA 0.053 4.393 4.340 -0.000 0.000 0.229 55 R C 0.592 176.818 176.300 -0.122 0.000 1.128 55 R CA 1.068 57.093 56.100 -0.125 0.000 0.960 55 R CB 0.125 30.341 30.300 -0.140 0.000 0.855 55 R HN 0.606 nan 8.270 nan 0.000 0.432 56 R N -0.805 119.586 120.500 -0.182 0.000 2.875 56 R HA 0.332 4.672 4.340 -0.000 0.000 0.251 56 R C 0.248 176.506 176.300 -0.070 0.000 1.123 56 R CA -0.517 55.501 56.100 -0.136 0.000 1.064 56 R CB 0.642 30.783 30.300 -0.264 0.000 1.205 56 R HN 0.086 nan 8.270 nan 0.000 0.503 57 G N 0.618 109.447 108.800 0.047 0.000 2.855 57 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.248 57 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.248 57 G C -0.293 174.611 174.900 0.006 0.000 1.243 57 G CA -0.409 44.734 45.100 0.072 0.000 0.881 57 G HN 0.207 nan 8.290 nan 0.000 0.598 58 L N 0.506 121.744 121.223 0.024 0.000 2.453 58 L HA 0.440 4.780 4.340 -0.000 0.000 0.272 58 L C 1.151 178.054 176.870 0.056 0.000 1.182 58 L CA 0.823 55.686 54.840 0.038 0.000 0.858 58 L CB 0.975 43.069 42.059 0.057 0.000 1.120 58 L HN 0.651 nan 8.230 nan 0.000 0.474 59 A N 5.429 128.290 122.820 0.068 0.000 1.971 59 A HA 0.468 4.788 4.320 -0.000 0.000 0.200 59 A C 0.464 178.122 177.584 0.124 0.000 1.658 59 A CA 0.185 52.291 52.037 0.115 0.000 0.962 59 A CB 0.224 19.304 19.000 0.133 0.000 1.053 59 A HN 0.540 nan 8.150 nan 0.000 0.533 60 I N 0.150 120.812 120.570 0.154 0.000 3.042 60 I HA 0.430 4.599 4.170 -0.000 0.000 0.310 60 I C -1.515 174.790 176.117 0.313 0.000 1.117 60 I CA -1.012 60.423 61.300 0.225 0.000 1.003 60 I CB 1.982 40.172 38.000 0.317 0.000 1.228 60 I HN 0.071 nan 8.210 nan 0.000 0.443 61 D N 1.422 121.974 120.400 0.254 0.000 2.392 61 D HA 0.537 5.176 4.640 -0.000 0.000 0.246 61 D C -0.814 175.698 176.300 0.352 0.000 1.013 61 D CA -0.222 53.925 54.000 0.244 0.000 0.993 61 D CB 2.095 42.988 40.800 0.155 0.000 1.219 61 D HN 0.566 nan 8.370 nan 0.000 0.538 62 S N -0.930 114.845 115.700 0.125 0.000 2.532 62 S HA 0.637 5.107 4.470 -0.000 0.000 0.301 62 S C -0.196 174.332 174.600 -0.121 0.000 1.083 62 S CA -0.864 57.258 58.200 -0.130 0.000 1.025 62 S CB 1.398 64.158 63.200 -0.732 0.000 1.056 62 S HN 0.376 nan 8.310 nan 0.000 0.494 63 T N 0.283 114.511 114.554 -0.544 0.000 2.889 63 T HA 0.557 4.907 4.350 -0.000 0.000 0.291 63 T C -0.314 174.063 174.700 -0.539 0.000 0.995 63 T CA -0.725 60.834 62.100 -0.901 0.000 1.092 63 T CB 0.830 69.013 68.868 -1.141 0.000 0.954 63 T HN 0.513 nan 8.240 nan 0.000 0.506 64 V N 2.804 122.428 119.914 -0.484 0.000 2.305 64 V HA 0.284 4.404 4.120 -0.000 0.000 0.275 64 V C -0.777 175.072 176.094 -0.409 0.000 1.020 64 V CA -0.991 61.038 62.300 -0.453 0.000 0.811 64 V CB 0.787 32.325 31.823 -0.475 0.000 1.031 64 V HN 0.875 nan 8.190 nan 0.000 0.439 65 D N 4.595 124.801 120.400 -0.324 0.000 2.225 65 D HA 0.588 5.228 4.640 -0.000 0.000 0.248 65 D C -0.299 175.845 176.300 -0.261 0.000 1.096 65 D CA 0.026 53.827 54.000 -0.331 0.000 0.863 65 D CB 1.692 42.312 40.800 -0.300 0.000 1.156 65 D HN 0.378 nan 8.370 nan 0.000 0.450 66 I N 2.731 123.100 120.570 -0.335 0.000 2.406 66 I HA 0.349 4.519 4.170 -0.000 0.000 0.290 66 I C -0.461 175.526 176.117 -0.217 0.000 0.999 66 I CA -0.717 60.450 61.300 -0.223 0.000 1.124 66 I CB 0.798 38.567 38.000 -0.384 0.000 1.289 66 I HN 0.212 nan 8.210 nan 0.000 0.441 67 F N 2.270 122.154 119.950 -0.111 0.000 2.635 67 F HA 0.725 5.252 4.527 -0.000 0.000 0.362 67 F C 0.303 176.028 175.800 -0.126 0.000 1.182 67 F CA -0.523 57.398 58.000 -0.131 0.000 1.119 67 F CB 1.039 39.933 39.000 -0.177 0.000 1.713 67 F HN 0.399 nan 8.300 nan 0.000 0.512 68 T N -1.363 113.114 114.554 -0.129 0.000 3.588 68 T HA 0.483 4.832 4.350 -0.000 0.000 0.428 68 T C -1.439 173.077 174.700 -0.307 0.000 1.584 68 T CA -0.894 61.181 62.100 -0.041 0.000 1.128 68 T CB -0.029 68.901 68.868 0.103 0.000 1.488 68 T HN 0.278 nan 8.240 nan 0.000 0.460 69 F N 0.949 120.946 119.950 0.078 0.000 2.629 69 F HA 0.758 5.285 4.527 -0.000 0.000 0.316 69 F C -0.957 174.785 175.800 -0.098 0.000 1.081 69 F CA -1.279 56.721 58.000 -0.000 0.000 0.954 69 F CB 1.660 40.659 39.000 -0.002 0.000 1.337 69 F HN 0.800 nan 8.300 nan 0.000 0.474 70 Y N 1.775 122.054 120.300 -0.036 0.000 2.328 70 Y HA 0.715 5.265 4.550 -0.000 0.000 0.333 70 Y C -1.518 174.258 175.900 -0.207 0.000 0.958 70 Y CA -1.386 56.606 58.100 -0.180 0.000 1.167 70 Y CB 1.259 39.630 38.460 -0.148 0.000 1.151 70 Y HN 0.281 nan 8.280 nan 0.000 0.470 71 V N 9.345 128.739 119.914 -0.866 0.000 2.305 71 V HA 0.360 4.480 4.120 -0.000 0.000 0.275 71 V C -2.432 173.121 176.094 -0.902 0.000 1.020 71 V CA -2.061 59.730 62.300 -0.849 0.000 0.811 71 V CB 1.084 32.409 31.823 -0.831 0.000 1.031 71 V HN 0.717 nan 8.190 nan 0.000 0.439 72 P HA 0.168 nan 4.420 nan 0.000 0.267 72 P C 0.583 177.597 177.300 -0.477 0.000 1.205 72 P CA 0.138 62.892 63.100 -0.576 0.000 0.765 72 P CB 0.480 32.035 31.700 -0.241 0.000 0.828 73 H N 1.827 120.571 119.070 -0.543 0.000 2.394 73 H HA -0.214 4.342 4.556 -0.000 0.000 0.297 73 H C 2.102 177.095 175.328 -0.560 0.000 1.113 73 H CA 1.612 57.265 56.048 -0.658 0.000 1.277 73 H CB -0.026 28.942 29.762 -1.325 0.000 1.370 73 H HN 0.399 nan 8.280 nan 0.000 0.506 74 R N 0.382 120.567 120.500 -0.525 0.000 2.117 74 R HA -0.212 4.128 4.340 -0.000 0.000 0.243 74 R C 1.389 177.532 176.300 -0.262 0.000 1.143 74 R CA 1.926 57.830 56.100 -0.325 0.000 0.968 74 R CB -0.201 29.939 30.300 -0.266 0.000 0.863 74 R HN 0.547 nan 8.270 nan 0.000 0.444 75 H N -1.350 117.595 119.070 -0.209 0.000 2.495 75 H HA -0.025 4.531 4.556 -0.000 0.000 0.287 75 H C 1.762 176.970 175.328 -0.200 0.000 1.033 75 H CA 1.235 57.163 56.048 -0.200 0.000 1.307 75 H CB 0.428 30.037 29.762 -0.254 0.000 1.401 75 H HN 0.018 nan 8.280 nan 0.000 0.555 76 V N -0.950 118.888 119.914 -0.127 0.000 2.521 76 V HA -0.089 4.030 4.120 -0.000 0.000 0.239 76 V C 0.110 176.055 176.094 -0.248 0.000 1.053 76 V CA 0.824 62.969 62.300 -0.258 0.000 1.073 76 V CB -0.101 31.467 31.823 -0.426 0.000 0.746 76 V HN 0.306 nan 8.190 nan 0.000 0.476 77 Y N 1.661 121.943 120.300 -0.030 0.000 2.827 77 Y HA 0.648 5.198 4.550 -0.000 0.000 0.373 77 Y C 1.223 177.166 175.900 0.071 0.000 1.198 77 Y CA -0.854 57.269 58.100 0.040 0.000 1.589 77 Y CB -0.428 38.087 38.460 0.091 0.000 1.682 77 Y HN 0.159 nan 8.280 nan 0.000 0.506 78 G N 1.024 109.907 108.800 0.139 0.000 2.224 78 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.239 78 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.239 78 G C 0.656 175.637 174.900 0.135 0.000 1.240 78 G CA 0.049 45.210 45.100 0.101 0.000 0.896 78 G HN 0.752 nan 8.290 nan 0.000 0.496 79 E N 0.834 121.119 120.200 0.143 0.000 3.562 79 E HA -0.330 4.020 4.350 -0.000 0.000 0.298 79 E C 1.471 178.148 176.600 0.129 0.000 0.830 79 E CA 1.979 58.450 56.400 0.120 0.000 1.013 79 E CB -0.632 29.113 29.700 0.074 0.000 1.510 79 E HN 0.847 nan 8.360 nan 0.000 0.463 80 Q N -1.169 118.738 119.800 0.178 0.000 2.297 80 Q HA 0.017 4.357 4.340 -0.000 0.000 0.203 80 Q C 1.815 177.917 176.000 0.169 0.000 0.931 80 Q CA 0.679 56.575 55.803 0.156 0.000 0.885 80 Q CB 0.065 28.916 28.738 0.188 0.000 0.991 80 Q HN 0.476 nan 8.270 nan 0.000 0.498 81 W N 0.562 121.871 121.300 0.014 0.000 2.476 81 W HA -0.096 4.563 4.660 -0.000 0.000 0.281 81 W C 1.048 177.607 176.519 0.066 0.000 1.230 81 W CA 0.751 58.078 57.345 -0.031 0.000 1.287 81 W CB 0.201 29.640 29.460 -0.035 0.000 1.108 81 W HN 0.125 nan 8.180 nan 0.000 0.567 82 I N 1.581 122.253 120.570 0.171 0.000 2.315 82 I HA -0.261 3.908 4.170 -0.000 0.000 0.248 82 I C 2.296 178.398 176.117 -0.026 0.000 1.117 82 I CA 1.642 62.978 61.300 0.061 0.000 1.404 82 I CB -0.788 37.267 38.000 0.091 0.000 1.071 82 I HN -0.187 nan 8.210 nan 0.000 0.419 83 K N -0.426 119.977 120.400 0.005 0.000 2.057 83 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 83 K C 2.144 178.696 176.600 -0.080 0.000 1.050 83 K CA 1.376 57.647 56.287 -0.026 0.000 0.935 83 K CB -0.415 32.087 32.500 0.004 0.000 0.715 83 K HN 0.121 nan 8.250 nan 0.000 0.439 84 F N 1.899 121.682 119.950 -0.279 0.000 2.043 84 F HA -0.333 4.194 4.527 -0.000 0.000 0.297 84 F C 2.091 177.595 175.800 -0.494 0.000 1.118 84 F CA 1.700 59.450 58.000 -0.417 0.000 1.202 84 F CB -0.054 38.581 39.000 -0.608 0.000 0.965 84 F HN -0.050 nan 8.300 nan 0.000 0.482 85 M N -0.112 119.228 119.600 -0.432 0.000 2.200 85 M HA -0.147 4.333 4.480 -0.000 0.000 0.265 85 M C 2.088 178.224 176.300 -0.274 0.000 1.066 85 M CA 1.509 56.553 55.300 -0.427 0.000 1.127 85 M CB -1.215 31.165 32.600 -0.368 0.000 1.379 85 M HN 0.155 nan 8.290 nan 0.000 0.420 86 K N 0.436 120.721 120.400 -0.192 0.000 2.026 86 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 86 K C 1.681 178.187 176.600 -0.158 0.000 1.048 86 K CA 1.397 57.606 56.287 -0.131 0.000 0.929 86 K CB -0.110 32.342 32.500 -0.080 0.000 0.713 86 K HN 0.177 nan 8.250 nan 0.000 0.439 87 D N -0.350 119.935 120.400 -0.192 0.000 2.123 87 D HA -0.076 4.564 4.640 -0.000 0.000 0.196 87 D C 1.219 177.371 176.300 -0.247 0.000 0.992 87 D CA 1.459 55.339 54.000 -0.199 0.000 0.833 87 D CB -0.326 40.351 40.800 -0.204 0.000 0.954 87 D HN 0.399 nan 8.370 nan 0.000 0.455 88 G N -0.342 108.239 108.800 -0.365 0.000 2.525 88 G HA2 -0.352 3.607 3.960 -0.000 0.000 0.248 88 G HA3 -0.352 3.607 3.960 -0.000 0.000 0.248 88 G C 1.143 175.817 174.900 -0.377 0.000 1.238 88 G CA 0.469 45.352 45.100 -0.363 0.000 0.926 88 G HN 0.249 nan 8.290 nan 0.000 0.574 89 V N 1.306 121.066 119.914 -0.257 0.000 2.764 89 V HA -0.186 3.934 4.120 -0.000 0.000 0.261 89 V C 2.099 178.076 176.094 -0.195 0.000 1.108 89 V CA 2.486 64.659 62.300 -0.211 0.000 1.129 89 V CB -0.533 31.208 31.823 -0.137 0.000 0.701 89 V HN 0.622 nan 8.190 nan 0.000 0.495 90 N N 0.201 118.783 118.700 -0.196 0.000 2.270 90 N HA 0.269 5.009 4.740 -0.000 0.000 0.198 90 N C 0.580 175.994 175.510 -0.161 0.000 1.117 90 N CA 0.552 53.513 53.050 -0.149 0.000 0.845 90 N CB 0.498 38.916 38.487 -0.115 0.000 0.980 90 N HN 0.540 nan 8.380 nan 0.000 0.486 91 A N 0.999 123.666 122.820 -0.255 0.000 2.322 91 A HA 0.351 4.671 4.320 -0.000 0.000 0.269 91 A C 0.668 178.207 177.584 -0.074 0.000 1.094 91 A CA -0.470 51.447 52.037 -0.199 0.000 0.807 91 A CB 0.136 18.922 19.000 -0.356 0.000 1.047 91 A HN 0.233 nan 8.150 nan 0.000 0.487 92 T N 1.118 115.678 114.554 0.010 0.000 2.784 92 T HA 0.304 4.654 4.350 -0.000 0.000 0.291 92 T C -1.389 173.386 174.700 0.124 0.000 0.942 92 T CA -0.924 61.205 62.100 0.048 0.000 1.161 92 T CB 0.234 69.128 68.868 0.043 0.000 0.885 92 T HN 0.551 nan 8.240 nan 0.000 0.534 93 P HA -0.175 nan 4.420 nan 0.000 0.234 93 P C 0.302 177.647 177.300 0.075 0.000 1.159 93 P CA 0.398 63.575 63.100 0.129 0.000 0.775 93 P CB -0.668 31.073 31.700 0.069 0.000 0.825 94 L N -2.607 118.631 121.223 0.026 0.000 2.728 94 L HA -0.107 4.233 4.340 -0.000 0.000 0.527 94 L C -1.688 175.222 176.870 0.068 0.000 1.002 94 L CA -0.786 54.010 54.840 -0.074 0.000 1.273 94 L CB -1.257 40.586 42.059 -0.359 0.000 1.435 94 L HN 0.139 nan 8.230 nan 0.000 0.711 95 P HA 0.078 nan 4.420 nan 0.000 0.267 95 P C -0.079 177.305 177.300 0.141 0.000 1.201 95 P CA 0.089 63.277 63.100 0.146 0.000 0.775 95 P CB 0.585 32.383 31.700 0.163 0.000 0.854 96 T N -1.656 112.945 114.554 0.079 0.000 2.927 96 T HA 0.633 4.983 4.350 -0.000 0.000 0.286 96 T C -0.341 174.379 174.700 0.033 0.000 1.040 96 T CA -0.864 61.262 62.100 0.044 0.000 1.010 96 T CB 1.407 70.285 68.868 0.016 0.000 1.177 96 T HN 0.244 nan 8.240 nan 0.000 0.546 97 V N 1.585 121.501 119.914 0.002 0.000 2.789 97 V HA 0.440 4.560 4.120 -0.000 0.000 0.311 97 V C -0.701 175.352 176.094 -0.067 0.000 1.073 97 V CA -1.110 61.184 62.300 -0.010 0.000 0.921 97 V CB 2.180 34.020 31.823 0.028 0.000 1.009 97 V HN 0.948 nan 8.190 nan 0.000 0.426 98 N N 2.160 120.815 118.700 -0.075 0.000 2.483 98 N HA 0.497 5.237 4.740 -0.000 0.000 0.269 98 N C -0.555 174.871 175.510 -0.141 0.000 1.209 98 N CA -0.224 52.768 53.050 -0.096 0.000 0.969 98 N CB 1.352 39.792 38.487 -0.079 0.000 1.173 98 N HN 0.662 nan 8.380 nan 0.000 0.475 99 T N -0.873 113.599 114.554 -0.137 0.000 2.912 99 T HA 0.258 4.608 4.350 -0.000 0.000 0.299 99 T C -0.164 174.421 174.700 -0.191 0.000 1.052 99 T CA -0.918 61.092 62.100 -0.149 0.000 0.996 99 T CB 1.313 70.109 68.868 -0.120 0.000 1.070 99 T HN 0.511 nan 8.240 nan 0.000 0.465 100 T N 0.072 114.480 114.554 -0.243 0.000 2.867 100 T HA 0.256 4.605 4.350 -0.000 0.000 0.297 100 T C 1.526 175.905 174.700 -0.535 0.000 0.989 100 T CA -0.333 61.521 62.100 -0.409 0.000 1.159 100 T CB 0.355 68.919 68.868 -0.506 0.000 0.928 100 T HN 0.850 nan 8.240 nan 0.000 0.538 101 G N 2.460 110.935 108.800 -0.541 0.000 3.305 101 G HA2 0.060 4.019 3.960 -0.000 0.000 0.203 101 G HA3 0.060 4.019 3.960 -0.000 0.000 0.203 101 G C -0.458 174.165 174.900 -0.462 0.000 1.168 101 G CA 0.038 44.851 45.100 -0.477 0.000 1.411 101 G HN 0.770 nan 8.290 nan 0.000 0.524 102 Y N -1.217 118.946 120.300 -0.228 0.000 2.487 102 Y HA 0.398 4.948 4.550 -0.000 0.000 0.337 102 Y C 1.447 177.326 175.900 -0.035 0.000 1.076 102 Y CA -1.790 56.247 58.100 -0.105 0.000 1.115 102 Y CB 1.076 39.508 38.460 -0.047 0.000 1.235 102 Y HN -0.122 nan 8.280 nan 0.000 0.468 103 I N 0.501 121.165 120.570 0.158 0.000 2.264 103 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 103 I C 0.500 176.649 176.117 0.054 0.000 1.111 103 I CA 1.583 62.922 61.300 0.065 0.000 1.382 103 I CB -0.524 37.494 38.000 0.030 0.000 1.060 103 I HN 0.658 nan 8.210 nan 0.000 0.418 104 D N -0.879 119.569 120.400 0.079 0.000 2.193 104 D HA 0.286 4.926 4.640 -0.000 0.000 0.244 104 D C 0.222 176.602 176.300 0.134 0.000 1.064 104 D CA -0.128 53.877 54.000 0.007 0.000 0.845 104 D CB 0.950 41.701 40.800 -0.082 0.000 1.148 104 D HN 0.227 nan 8.370 nan 0.000 0.464 105 H N 1.165 120.191 119.070 -0.074 0.000 1.803 105 H HA 0.140 4.695 4.556 -0.000 0.000 0.115 105 H C 0.277 175.607 175.328 0.004 0.000 0.805 105 H CA 0.594 56.612 56.048 -0.051 0.000 0.415 105 H CB -0.440 29.329 29.762 0.011 0.000 0.323 105 H HN 0.395 nan 8.280 nan 0.000 0.211 106 A N 0.547 123.435 122.820 0.114 0.000 2.430 106 A HA 0.704 5.024 4.320 -0.000 0.000 0.243 106 A C 2.088 179.697 177.584 0.040 0.000 1.254 106 A CA 0.748 52.843 52.037 0.096 0.000 0.914 106 A CB -0.249 18.735 19.000 -0.027 0.000 0.998 106 A HN 0.404 nan 8.150 nan 0.000 0.515 107 A N 0.784 123.615 122.820 0.019 0.000 1.940 107 A HA -0.198 4.122 4.320 -0.000 0.000 0.221 107 A C 1.806 179.368 177.584 -0.037 0.000 1.190 107 A CA 2.015 54.015 52.037 -0.061 0.000 0.647 107 A CB -1.050 17.853 19.000 -0.162 0.000 0.821 107 A HN 1.296 nan 8.150 nan 0.000 0.457 108 F N -0.509 119.255 119.950 -0.310 0.000 2.494 108 F HA 0.095 4.622 4.527 -0.000 0.000 0.298 108 F C 1.153 176.671 175.800 -0.471 0.000 1.106 108 F CA 0.688 58.432 58.000 -0.426 0.000 1.452 108 F CB -0.739 37.885 39.000 -0.626 0.000 1.085 108 F HN 0.133 nan 8.300 nan 0.000 0.569 109 L N 0.220 121.010 121.223 -0.723 0.000 2.640 109 L HA 0.438 4.778 4.340 -0.000 0.000 0.230 109 L C 1.612 178.231 176.870 -0.418 0.000 1.123 109 L CA 0.353 54.753 54.840 -0.733 0.000 0.900 109 L CB -0.416 41.166 42.059 -0.795 0.000 1.146 109 L HN 0.371 nan 8.230 nan 0.000 0.484 110 G N 1.575 110.213 108.800 -0.270 0.000 2.160 110 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.244 110 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.244 110 G C 0.200 175.015 174.900 -0.142 0.000 1.022 110 G CA 0.429 45.427 45.100 -0.170 0.000 0.741 110 G HN 0.411 nan 8.290 nan 0.000 0.508 111 T N -2.243 112.224 114.554 -0.145 0.000 2.896 111 T HA 0.716 5.066 4.350 -0.000 0.000 0.297 111 T C -0.394 174.257 174.700 -0.081 0.000 1.108 111 T CA -1.011 61.025 62.100 -0.107 0.000 1.004 111 T CB 2.271 71.069 68.868 -0.117 0.000 1.159 111 T HN 0.412 nan 8.240 nan 0.000 0.499 112 I N 2.795 123.331 120.570 -0.057 0.000 2.371 112 I HA 0.271 4.441 4.170 -0.000 0.000 0.290 112 I C 0.670 176.762 176.117 -0.041 0.000 1.028 112 I CA -0.427 60.848 61.300 -0.041 0.000 1.345 112 I CB 0.565 38.548 38.000 -0.029 0.000 1.407 112 I HN 0.651 nan 8.210 nan 0.000 0.501 113 N N 9.011 127.693 118.700 -0.031 0.000 2.315 113 N HA -0.012 4.728 4.740 -0.000 0.000 0.270 113 N C -2.224 173.263 175.510 -0.038 0.000 1.329 113 N CA -0.869 52.160 53.050 -0.035 0.000 0.860 113 N CB 0.192 38.670 38.487 -0.015 0.000 1.095 113 N HN 0.302 nan 8.380 nan 0.000 0.487 114 P HA 0.007 nan 4.420 nan 0.000 0.269 114 P C 0.183 177.458 177.300 -0.040 0.000 1.217 114 P CA -0.232 62.844 63.100 -0.040 0.000 0.783 114 P CB 0.740 32.415 31.700 -0.041 0.000 0.898 115 D N 0.376 120.756 120.400 -0.033 0.000 2.271 115 D HA -0.122 4.517 4.640 -0.000 0.000 0.207 115 D C 1.628 177.902 176.300 -0.043 0.000 0.983 115 D CA 1.776 55.755 54.000 -0.034 0.000 0.878 115 D CB -0.260 40.524 40.800 -0.026 0.000 0.920 115 D HN 0.524 nan 8.370 nan 0.000 0.479 116 T N -3.106 111.422 114.554 -0.044 0.000 3.107 116 T HA -0.001 4.349 4.350 -0.000 0.000 0.249 116 T C 0.558 175.221 174.700 -0.061 0.000 1.096 116 T CA -0.137 61.935 62.100 -0.047 0.000 1.012 116 T CB 0.075 68.921 68.868 -0.038 0.000 0.977 116 T HN -0.001 nan 8.240 nan 0.000 0.527 117 N N 1.057 119.715 118.700 -0.070 0.000 2.758 117 N HA -0.125 4.615 4.740 -0.000 0.000 0.248 117 N C -0.782 174.679 175.510 -0.081 0.000 1.076 117 N CA 0.782 53.779 53.050 -0.089 0.000 0.696 117 N CB -1.182 37.238 38.487 -0.111 0.000 0.979 117 N HN 0.626 nan 8.380 nan 0.000 0.550 118 K N 0.206 120.565 120.400 -0.069 0.000 2.426 118 K HA 0.723 5.043 4.320 -0.000 0.000 0.251 118 K C -0.451 176.106 176.600 -0.071 0.000 0.941 118 K CA -0.488 55.761 56.287 -0.063 0.000 0.808 118 K CB 2.053 34.527 32.500 -0.043 0.000 1.265 118 K HN 0.046 nan 8.250 nan 0.000 0.432 119 I N 3.304 123.826 120.570 -0.079 0.000 2.644 119 I HA 0.287 4.457 4.170 -0.000 0.000 0.291 119 I C -2.407 173.654 176.117 -0.093 0.000 1.180 119 I CA -2.355 58.884 61.300 -0.101 0.000 1.040 119 I CB 2.586 40.507 38.000 -0.132 0.000 1.255 119 I HN 0.422 nan 8.210 nan 0.000 0.422 120 P HA 0.018 nan 4.420 nan 0.000 0.267 120 P C 0.170 177.388 177.300 -0.136 0.000 1.200 120 P CA -0.138 62.892 63.100 -0.118 0.000 0.772 120 P CB 1.182 32.761 31.700 -0.201 0.000 0.855 121 K N 2.436 122.839 120.400 0.005 0.000 2.074 121 K HA -0.233 4.087 4.320 -0.000 0.000 0.209 121 K C 2.125 178.668 176.600 -0.095 0.000 1.048 121 K CA 1.645 57.918 56.287 -0.023 0.000 0.926 121 K CB -0.444 32.009 32.500 -0.079 0.000 0.713 121 K HN 0.625 nan 8.250 nan 0.000 0.444 122 H N -0.080 118.966 119.070 -0.040 0.000 2.387 122 H HA -0.165 4.391 4.556 -0.000 0.000 0.299 122 H C 2.111 177.488 175.328 0.082 0.000 1.099 122 H CA 1.320 57.343 56.048 -0.043 0.000 1.315 122 H CB -0.430 29.437 29.762 0.175 0.000 1.380 122 H HN 0.203 nan 8.280 nan 0.000 0.513 123 L N 0.302 121.442 121.223 -0.138 0.000 2.141 123 L HA -0.082 4.258 4.340 -0.000 0.000 0.209 123 L C 2.431 179.335 176.870 0.057 0.000 1.094 123 L CA 1.219 56.064 54.840 0.007 0.000 0.763 123 L CB -0.783 41.149 42.059 -0.212 0.000 0.908 123 L HN 0.206 nan 8.230 nan 0.000 0.437 124 F N -0.887 118.985 119.950 -0.130 0.000 2.220 124 F HA -0.024 4.503 4.527 -0.000 0.000 0.290 124 F C 2.403 178.220 175.800 0.027 0.000 1.080 124 F CA 1.107 59.046 58.000 -0.101 0.000 1.318 124 F CB -0.463 38.502 39.000 -0.059 0.000 1.063 124 F HN 0.031 nan 8.300 nan 0.000 0.498 125 Q N 0.660 120.364 119.800 -0.160 0.000 2.364 125 Q HA -0.056 4.284 4.340 -0.000 0.000 0.209 125 Q C 2.245 178.121 176.000 -0.207 0.000 0.977 125 Q CA 1.091 56.712 55.803 -0.304 0.000 0.885 125 Q CB -0.749 27.851 28.738 -0.230 0.000 0.941 125 Q HN 0.591 nan 8.270 nan 0.000 0.464 126 G N -0.708 108.060 108.800 -0.053 0.000 2.424 126 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.214 126 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.214 126 G C 1.311 176.224 174.900 0.022 0.000 1.202 126 G CA 0.545 45.579 45.100 -0.110 0.000 0.793 126 G HN 0.424 nan 8.290 nan 0.000 0.534 127 Y N 1.159 121.553 120.300 0.156 0.000 2.193 127 Y HA -0.137 4.413 4.550 -0.000 0.000 0.285 127 Y C 2.573 178.424 175.900 -0.082 0.000 1.166 127 Y CA 1.517 59.625 58.100 0.013 0.000 1.181 127 Y CB -0.126 38.239 38.460 -0.158 0.000 0.976 127 Y HN 0.107 nan 8.280 nan 0.000 0.520 128 L N -0.279 120.945 121.223 0.002 0.000 2.027 128 L HA -0.242 4.098 4.340 -0.000 0.000 0.206 128 L C 2.170 178.981 176.870 -0.098 0.000 1.074 128 L CA 1.330 56.168 54.840 -0.004 0.000 0.745 128 L CB -0.714 41.239 42.059 -0.177 0.000 0.898 128 L HN 0.193 nan 8.230 nan 0.000 0.433 129 N N 0.149 118.730 118.700 -0.198 0.000 2.430 129 N HA -0.144 4.596 4.740 -0.000 0.000 0.186 129 N C 1.652 176.944 175.510 -0.364 0.000 1.032 129 N CA 1.128 54.016 53.050 -0.270 0.000 0.893 129 N CB 0.022 38.320 38.487 -0.315 0.000 0.957 129 N HN 0.382 nan 8.380 nan 0.000 0.442 130 I N -1.300 119.050 120.570 -0.367 0.000 2.522 130 I HA -0.199 3.971 4.170 -0.000 0.000 0.240 130 I C 1.941 177.883 176.117 -0.292 0.000 1.078 130 I CA 0.293 61.300 61.300 -0.488 0.000 1.422 130 I CB -0.471 37.206 38.000 -0.538 0.000 1.188 130 I HN -0.013 nan 8.210 nan 0.000 0.442 131 Y N 2.575 122.667 120.300 -0.346 0.000 2.181 131 Y HA -0.335 4.215 4.550 -0.000 0.000 0.284 131 Y C 2.353 178.219 175.900 -0.058 0.000 1.179 131 Y CA 1.875 59.889 58.100 -0.143 0.000 1.179 131 Y CB -0.401 38.027 38.460 -0.053 0.000 0.973 131 Y HN 0.221 nan 8.280 nan 0.000 0.519 132 N N 0.103 118.753 118.700 -0.082 0.000 2.331 132 N HA -0.161 4.579 4.740 -0.000 0.000 0.180 132 N C 1.284 176.618 175.510 -0.294 0.000 1.019 132 N CA 1.183 54.124 53.050 -0.181 0.000 0.881 132 N CB -0.304 38.124 38.487 -0.098 0.000 0.972 132 N HN 0.543 nan 8.380 nan 0.000 0.435 133 N N -0.500 117.965 118.700 -0.391 0.000 2.387 133 N HA -0.003 4.737 4.740 -0.000 0.000 0.176 133 N C 0.774 175.970 175.510 -0.523 0.000 1.022 133 N CA 0.690 53.421 53.050 -0.532 0.000 0.883 133 N CB 0.137 38.151 38.487 -0.789 0.000 1.019 133 N HN 0.232 nan 8.380 nan 0.000 0.435 134 Y N -0.752 119.357 120.300 -0.319 0.000 2.507 134 Y HA 0.306 4.856 4.550 -0.000 0.000 0.263 134 Y C 0.394 175.885 175.900 -0.683 0.000 1.093 134 Y CA -0.272 57.551 58.100 -0.461 0.000 1.285 134 Y CB 0.070 38.229 38.460 -0.502 0.000 1.115 134 Y HN -0.165 nan 8.280 nan 0.000 0.533 135 F N 0.094 119.879 119.950 -0.276 0.000 2.671 135 F HA 0.460 4.987 4.527 -0.000 0.000 0.373 135 F C 0.152 175.593 175.800 -0.597 0.000 1.122 135 F CA -2.042 55.750 58.000 -0.347 0.000 1.082 135 F CB 0.536 39.364 39.000 -0.288 0.000 1.399 135 F HN -0.378 nan 8.300 nan 0.000 0.509 136 K N 0.846 121.021 120.400 -0.375 0.000 6.900 136 K HA -0.101 4.218 4.320 -0.000 0.000 0.714 136 K C -1.437 174.894 176.600 -0.449 0.000 2.527 136 K CA 0.350 56.346 56.287 -0.485 0.000 1.868 136 K CB -0.840 31.218 32.500 -0.737 0.000 2.325 136 K HN 1.190 nan 8.250 nan 0.000 0.231 137 A N 6.601 129.059 122.820 -0.605 0.000 2.445 137 A HA 0.354 4.674 4.320 -0.000 0.000 0.242 137 A C -0.882 176.329 177.584 -0.621 0.000 1.075 137 A CA -0.461 51.086 52.037 -0.817 0.000 0.777 137 A CB 0.229 18.130 19.000 -1.831 0.000 1.013 137 A HN 0.673 nan 8.150 nan 0.000 0.493 138 P HA -0.197 nan 4.420 nan 0.000 0.218 138 P C 1.044 178.304 177.300 -0.067 0.000 1.146 138 P CA 2.024 65.025 63.100 -0.165 0.000 0.813 138 P CB -0.157 31.507 31.700 -0.061 0.000 0.778 139 W N -0.567 120.697 121.300 -0.060 0.000 2.576 139 W HA 0.248 4.907 4.660 -0.000 0.000 0.270 139 W C 1.011 177.511 176.519 -0.032 0.000 1.255 139 W CA -0.353 56.962 57.345 -0.050 0.000 1.314 139 W CB -1.638 27.797 29.460 -0.041 0.000 1.101 139 W HN -0.298 nan 8.180 nan 0.000 0.595 140 M N 3.886 123.286 119.600 -0.332 0.000 2.252 140 M HA 0.086 4.566 4.480 -0.000 0.000 0.329 140 M C -1.620 174.654 176.300 -0.044 0.000 1.101 140 M CA -1.230 53.986 55.300 -0.140 0.000 1.117 140 M CB 0.241 32.666 32.600 -0.291 0.000 1.563 140 M HN -0.229 nan 8.290 nan 0.000 0.445 141 P HA 0.075 nan 4.420 nan 0.000 0.275 141 P C -1.245 176.052 177.300 -0.006 0.000 1.228 141 P CA -0.310 62.798 63.100 0.012 0.000 0.786 141 P CB 0.404 32.122 31.700 0.031 0.000 0.927 142 D N 1.536 121.929 120.400 -0.011 0.000 2.443 142 D HA 0.048 4.688 4.640 -0.000 0.000 0.239 142 D C 0.677 176.982 176.300 0.009 0.000 1.136 142 D CA 0.494 54.488 54.000 -0.010 0.000 0.879 142 D CB 0.187 40.974 40.800 -0.021 0.000 1.195 142 D HN 0.224 nan 8.370 nan 0.000 0.443 143 R N 0.946 121.467 120.500 0.035 0.000 2.220 143 R HA 0.255 4.595 4.340 -0.000 0.000 0.340 143 R C -0.573 175.737 176.300 0.015 0.000 1.076 143 R CA -0.374 55.734 56.100 0.014 0.000 0.920 143 R CB 0.056 30.362 30.300 0.010 0.000 1.062 143 R HN 0.371 nan 8.270 nan 0.000 0.469 144 T N 2.076 116.636 114.554 0.010 0.000 2.929 144 T HA 0.367 4.717 4.350 -0.000 0.000 0.331 144 T C -0.542 174.188 174.700 0.049 0.000 1.120 144 T CA -0.863 61.249 62.100 0.019 0.000 0.973 144 T CB 0.710 69.586 68.868 0.014 0.000 1.036 144 T HN 0.539 nan 8.240 nan 0.000 0.502 145 E N 1.398 121.654 120.200 0.093 0.000 2.272 145 E HA 0.590 4.940 4.350 -0.000 0.000 0.269 145 E C 0.629 177.387 176.600 0.263 0.000 0.877 145 E CA -1.237 55.268 56.400 0.175 0.000 0.755 145 E CB 2.161 32.010 29.700 0.248 0.000 1.192 145 E HN 0.490 nan 8.360 nan 0.000 0.422 146 A N 3.831 126.779 122.820 0.213 0.000 1.826 146 A HA -0.027 4.292 4.320 -0.000 0.000 0.214 146 A C 0.699 178.474 177.584 0.319 0.000 1.212 146 A CA 1.024 53.189 52.037 0.214 0.000 0.605 146 A CB -0.118 18.948 19.000 0.110 0.000 0.861 146 A HN 0.632 nan 8.150 nan 0.000 0.447 147 N N -1.568 117.216 118.700 0.140 0.000 2.381 147 N HA 0.354 5.094 4.740 -0.000 0.000 0.294 147 N C -2.633 172.741 175.510 -0.227 0.000 1.216 147 N CA -1.637 51.366 53.050 -0.079 0.000 0.803 147 N CB 1.006 39.450 38.487 -0.072 0.000 1.372 147 N HN -0.195 nan 8.380 nan 0.000 0.500 148 P HA 0.004 nan 4.420 nan 0.000 0.231 148 P C 0.604 177.817 177.300 -0.145 0.000 1.158 148 P CA 0.818 63.711 63.100 -0.345 0.000 0.763 148 P CB 0.202 31.712 31.700 -0.317 0.000 0.805 149 N N -0.124 118.502 118.700 -0.124 0.000 2.443 149 N HA -0.136 4.603 4.740 -0.000 0.000 0.184 149 N C 0.910 176.394 175.510 -0.044 0.000 1.037 149 N CA 1.034 54.033 53.050 -0.085 0.000 0.896 149 N CB -0.367 38.075 38.487 -0.074 0.000 0.959 149 N HN 0.429 nan 8.380 nan 0.000 0.442 150 E N -0.146 120.039 120.200 -0.025 0.000 2.444 150 E HA 0.176 4.526 4.350 -0.000 0.000 0.191 150 E C 0.221 176.823 176.600 0.003 0.000 1.041 150 E CA -0.124 56.278 56.400 0.003 0.000 0.883 150 E CB 0.498 30.217 29.700 0.031 0.000 1.024 150 E HN 0.251 nan 8.360 nan 0.000 0.470 151 L N 0.615 121.832 121.223 -0.011 0.000 2.440 151 L HA 0.310 4.650 4.340 -0.000 0.000 0.262 151 L C 0.543 177.416 176.870 0.005 0.000 1.072 151 L CA -0.990 53.833 54.840 -0.028 0.000 0.798 151 L CB 0.634 42.629 42.059 -0.107 0.000 1.307 151 L HN 0.030 nan 8.230 nan 0.000 0.475 152 N N 0.030 118.723 118.700 -0.012 0.000 2.456 152 N HA 0.170 4.910 4.740 -0.000 0.000 0.296 152 N C 0.247 175.776 175.510 0.031 0.000 1.102 152 N CA -0.412 52.656 53.050 0.029 0.000 0.924 152 N CB 1.908 40.405 38.487 0.018 0.000 1.186 152 N HN 0.556 nan 8.380 nan 0.000 0.492 153 Q N 0.530 120.381 119.800 0.086 0.000 2.133 153 Q HA -0.208 4.132 4.340 -0.000 0.000 0.208 153 Q C 0.492 176.569 176.000 0.129 0.000 0.991 153 Q CA 1.767 57.582 55.803 0.019 0.000 0.867 153 Q CB 0.076 28.873 28.738 0.099 0.000 0.911 153 Q HN 0.517 nan 8.270 nan 0.000 0.417 154 D N 0.356 120.887 120.400 0.218 0.000 2.084 154 D HA -0.140 4.500 4.640 -0.000 0.000 0.194 154 D C 1.406 177.817 176.300 0.184 0.000 0.990 154 D CA 1.182 55.298 54.000 0.193 0.000 0.826 154 D CB -0.329 40.436 40.800 -0.059 0.000 0.971 154 D HN 0.146 nan 8.370 nan 0.000 0.453 155 D N -0.632 119.786 120.400 0.030 0.000 2.263 155 D HA -0.041 4.599 4.640 -0.000 0.000 0.208 155 D C 1.603 177.798 176.300 -0.175 0.000 0.971 155 D CA 0.987 54.976 54.000 -0.018 0.000 0.867 155 D CB 0.068 40.847 40.800 -0.035 0.000 0.929 155 D HN 0.198 nan 8.370 nan 0.000 0.492 156 A N 0.343 122.995 122.820 -0.280 0.000 2.013 156 A HA 0.015 4.335 4.320 -0.000 0.000 0.204 156 A C 1.958 179.264 177.584 -0.462 0.000 1.262 156 A CA 0.093 51.805 52.037 -0.541 0.000 0.800 156 A CB -0.008 18.719 19.000 -0.455 0.000 0.909 156 A HN 0.181 nan 8.150 nan 0.000 0.472 157 R N -1.023 119.091 120.500 -0.644 0.000 2.280 157 R HA 0.035 4.374 4.340 -0.000 0.000 0.207 157 R C -0.364 175.371 176.300 -0.942 0.000 1.043 157 R CA 0.662 56.232 56.100 -0.884 0.000 1.006 157 R CB -0.443 29.168 30.300 -1.148 0.000 0.885 157 R HN 0.513 nan 8.270 nan 0.000 0.467 158 Y N -0.554 119.595 120.300 -0.251 0.000 2.698 158 Y HA 0.692 5.242 4.550 -0.000 0.000 0.332 158 Y C 0.720 176.510 175.900 -0.182 0.000 1.119 158 Y CA -1.687 56.285 58.100 -0.214 0.000 1.109 158 Y CB -0.005 38.288 38.460 -0.278 0.000 1.308 158 Y HN -0.072 nan 8.280 nan 0.000 0.499 159 G N -0.023 108.819 108.800 0.071 0.000 2.562 159 G HA2 0.434 4.394 3.960 -0.000 0.000 0.275 159 G HA3 0.434 4.394 3.960 -0.000 0.000 0.275 159 G C -1.087 173.846 174.900 0.056 0.000 1.196 159 G CA -0.715 44.398 45.100 0.022 0.000 0.908 159 G HN 0.521 nan 8.290 nan 0.000 0.524 160 F N -0.233 119.714 119.950 -0.004 0.000 2.427 160 F HA 0.505 5.032 4.527 -0.000 0.000 0.352 160 F C 1.063 176.788 175.800 -0.124 0.000 1.100 160 F CA -1.970 55.951 58.000 -0.132 0.000 1.191 160 F CB 0.350 39.202 39.000 -0.248 0.000 1.128 160 F HN 0.610 nan 8.300 nan 0.000 0.533 161 R N 2.395 122.974 120.500 0.131 0.000 2.494 161 R HA 0.228 4.568 4.340 -0.000 0.000 0.291 161 R C -0.783 175.645 176.300 0.213 0.000 0.953 161 R CA -0.313 55.860 56.100 0.120 0.000 1.098 161 R CB -0.884 29.465 30.300 0.082 0.000 0.911 161 R HN 0.745 nan 8.270 nan 0.000 0.407 162 C N 2.458 121.863 119.300 0.175 0.000 2.464 162 C HA 0.477 4.936 4.460 -0.000 0.000 0.398 162 C C 0.969 176.014 174.990 0.092 0.000 1.451 162 C CA -0.949 58.188 59.018 0.199 0.000 1.986 162 C CB 1.023 28.862 27.740 0.166 0.000 2.004 162 C HN 0.914 nan 8.230 nan 0.000 0.530 163 C N -0.134 119.208 119.300 0.070 0.000 2.563 163 C HA 0.292 4.752 4.460 -0.000 0.000 0.358 163 C C 0.897 175.889 174.990 0.005 0.000 1.336 163 C CA -0.061 58.966 59.018 0.015 0.000 2.454 163 C CB -0.858 26.874 27.740 -0.013 0.000 2.448 163 C HN 0.865 nan 8.230 nan 0.000 0.670 164 H N -1.048 118.033 119.070 0.019 0.000 2.277 164 H HA 0.473 5.029 4.556 -0.000 0.000 0.301 164 H C 0.022 175.338 175.328 -0.021 0.000 1.655 164 H CA -0.433 55.622 56.048 0.012 0.000 1.483 164 H CB 0.292 30.010 29.762 -0.073 0.000 1.741 164 H HN 0.406 nan 8.280 nan 0.000 0.712 165 L N 0.768 122.102 121.223 0.184 0.000 2.421 165 L HA 0.222 4.562 4.340 -0.000 0.000 0.263 165 L C -0.088 176.764 176.870 -0.030 0.000 1.122 165 L CA -0.781 54.096 54.840 0.063 0.000 0.804 165 L CB 0.812 42.922 42.059 0.084 0.000 1.150 165 L HN 0.467 nan 8.230 nan 0.000 0.457 166 K N 2.284 122.663 120.400 -0.035 0.000 2.382 166 K HA 0.245 4.565 4.320 -0.000 0.000 0.275 166 K C -0.436 176.074 176.600 -0.150 0.000 1.009 166 K CA 0.139 56.376 56.287 -0.084 0.000 0.970 166 K CB 0.200 32.675 32.500 -0.041 0.000 0.934 166 K HN 0.513 nan 8.250 nan 0.000 0.479 167 N N 1.841 120.380 118.700 -0.267 0.000 4.451 167 N HA 0.018 4.757 4.740 -0.000 0.000 0.195 167 N C 0.375 175.559 175.510 -0.543 0.000 1.087 167 N CA -0.500 52.287 53.050 -0.438 0.000 1.025 167 N CB 0.210 38.444 38.487 -0.423 0.000 1.603 167 N HN 0.537 nan 8.380 nan 0.000 0.631 168 I N 0.710 120.878 120.570 -0.669 0.000 2.753 168 I HA -0.377 3.793 4.170 -0.000 0.000 0.221 168 I C 1.671 177.622 176.117 -0.277 0.000 0.889 168 I CA 2.699 63.780 61.300 -0.365 0.000 1.200 168 I CB -0.273 37.614 38.000 -0.187 0.000 0.924 168 I HN 0.770 nan 8.210 nan 0.000 0.375 169 W N 0.864 121.954 121.300 -0.350 0.000 3.256 169 W HA 0.122 4.782 4.660 -0.000 0.000 0.269 169 W C 1.813 178.152 176.519 -0.300 0.000 1.310 169 W CA 1.072 58.117 57.345 -0.501 0.000 1.673 169 W CB -1.250 28.114 29.460 -0.160 0.000 1.115 169 W HN 0.318 nan 8.180 nan 0.000 0.686 170 T N -2.145 112.054 114.554 -0.591 0.000 2.971 170 T HA 0.490 4.840 4.350 -0.000 0.000 0.252 170 T C 0.918 175.556 174.700 -0.104 0.000 1.022 170 T CA 0.605 62.455 62.100 -0.417 0.000 0.980 170 T CB 0.007 68.483 68.868 -0.654 0.000 1.044 170 T HN 0.057 nan 8.240 nan 0.000 0.501 171 A N 2.401 125.149 122.820 -0.120 0.000 3.258 171 A HA 0.729 5.049 4.320 -0.000 0.000 0.318 171 A C -2.902 174.692 177.584 0.017 0.000 0.990 171 A CA -1.198 50.867 52.037 0.047 0.000 0.885 171 A CB 0.328 19.322 19.000 -0.011 0.000 1.090 171 A HN 0.361 nan 8.150 nan 0.000 0.479 172 P HA 0.412 nan 4.420 nan 0.000 0.282 172 P C 0.082 177.354 177.300 -0.047 0.000 1.287 172 P CA -0.621 62.443 63.100 -0.061 0.000 0.792 172 P CB 0.583 32.212 31.700 -0.119 0.000 1.163 173 L N 0.638 121.849 121.223 -0.020 0.000 2.464 173 L HA 0.214 4.554 4.340 -0.000 0.000 0.264 173 L C -2.003 174.751 176.870 -0.192 0.000 1.199 173 L CA -1.687 53.147 54.840 -0.011 0.000 0.818 173 L CB -0.380 41.706 42.059 0.045 0.000 1.102 173 L HN 0.190 nan 8.230 nan 0.000 0.473 174 P HA 0.008 nan 4.420 nan 0.000 0.263 174 P C -1.809 175.304 177.300 -0.312 0.000 1.195 174 P CA -0.915 61.983 63.100 -0.337 0.000 0.762 174 P CB 0.138 31.751 31.700 -0.144 0.000 0.799 175 P HA -0.221 nan 4.420 nan 0.000 0.219 175 P C 0.580 177.791 177.300 -0.148 0.000 1.144 175 P CA 1.723 64.665 63.100 -0.264 0.000 0.806 175 P CB 0.157 31.671 31.700 -0.309 0.000 0.771 176 E N -0.133 119.982 120.200 -0.141 0.000 2.299 176 E HA -0.013 4.337 4.350 -0.000 0.000 0.193 176 E C 0.601 177.159 176.600 -0.070 0.000 0.998 176 E CA 0.207 56.554 56.400 -0.088 0.000 0.851 176 E CB -0.695 28.958 29.700 -0.079 0.000 0.795 176 E HN 0.332 nan 8.360 nan 0.000 0.492 177 T N 1.860 116.370 114.554 -0.073 0.000 2.709 177 T HA -0.104 4.245 4.350 -0.000 0.000 0.269 177 T C 0.235 174.936 174.700 0.002 0.000 1.008 177 T CA -0.063 62.026 62.100 -0.020 0.000 1.194 177 T CB 0.191 69.081 68.868 0.037 0.000 0.986 177 T HN 0.005 nan 8.240 nan 0.000 0.508 178 E N 2.610 122.817 120.200 0.011 0.000 2.481 178 E HA 0.005 4.354 4.350 -0.000 0.000 0.263 178 E C 0.718 177.329 176.600 0.019 0.000 0.992 178 E CA -0.081 56.325 56.400 0.010 0.000 0.938 178 E CB 0.610 30.318 29.700 0.013 0.000 0.933 178 E HN 0.655 nan 8.360 nan 0.000 0.453 179 L N 1.115 122.344 121.223 0.010 0.000 2.766 179 L HA 0.096 4.436 4.340 -0.000 0.000 0.242 179 L C 0.132 177.008 176.870 0.009 0.000 1.136 179 L CA 0.071 54.919 54.840 0.013 0.000 0.933 179 L CB -0.004 42.061 42.059 0.009 0.000 1.241 179 L HN 0.495 nan 8.230 nan 0.000 0.522 180 S N -0.511 115.191 115.700 0.003 0.000 2.604 180 S HA 0.459 4.929 4.470 -0.000 0.000 0.296 180 S C -1.081 173.510 174.600 -0.015 0.000 1.097 180 S CA -1.029 57.168 58.200 -0.005 0.000 0.883 180 S CB 2.219 65.417 63.200 -0.003 0.000 1.081 180 S HN 0.004 nan 8.310 nan 0.000 0.448 181 R N 1.563 122.044 120.500 -0.031 0.000 2.360 181 R HA 0.502 4.841 4.340 -0.000 0.000 0.318 181 R C -0.829 175.440 176.300 -0.052 0.000 0.950 181 R CA -0.299 55.773 56.100 -0.047 0.000 0.837 181 R CB 1.737 31.988 30.300 -0.081 0.000 1.165 181 R HN 0.832 nan 8.270 nan 0.000 0.458 182 Q N 1.881 121.659 119.800 -0.038 0.000 2.235 182 Q HA 0.474 4.813 4.340 -0.000 0.000 0.256 182 Q C -0.175 175.803 176.000 -0.036 0.000 0.951 182 Q CA -0.462 55.322 55.803 -0.033 0.000 0.890 182 Q CB 2.569 31.297 28.738 -0.018 0.000 1.279 182 Q HN 0.420 nan 8.270 nan 0.000 0.444 183 M N 0.435 120.015 119.600 -0.033 0.000 2.528 183 M HA 0.316 4.796 4.480 -0.000 0.000 0.318 183 M C 0.221 176.515 176.300 -0.009 0.000 1.195 183 M CA -0.198 55.087 55.300 -0.025 0.000 1.000 183 M CB 1.550 34.136 32.600 -0.023 0.000 1.615 183 M HN 0.720 nan 8.290 nan 0.000 0.469 184 T N -1.408 113.144 114.554 -0.003 0.000 3.235 184 T HA 0.185 4.535 4.350 -0.000 0.000 0.251 184 T C 0.087 174.790 174.700 0.005 0.000 1.060 184 T CA -0.128 61.973 62.100 0.001 0.000 0.949 184 T CB -1.475 67.394 68.868 0.002 0.000 1.020 184 T HN 0.856 nan 8.240 nan 0.000 0.564 185 T N 3.542 118.100 114.554 0.008 0.000 2.399 185 T HA -0.085 4.265 4.350 -0.000 0.000 0.208 185 T C 0.511 175.217 174.700 0.010 0.000 0.988 185 T CA 0.782 62.889 62.100 0.011 0.000 1.298 185 T CB -0.247 68.628 68.868 0.011 0.000 0.999 185 T HN 0.797 nan 8.240 nan 0.000 0.400 186 S N 1.248 116.954 115.700 0.011 0.000 2.617 186 S HA 0.575 5.045 4.470 -0.000 0.000 0.283 186 S C 0.425 175.030 174.600 0.009 0.000 1.189 186 S CA -0.981 57.225 58.200 0.009 0.000 1.036 186 S CB 1.001 64.207 63.200 0.010 0.000 1.014 186 S HN 0.961 nan 8.310 nan 0.000 0.522 187 T N -0.416 114.142 114.554 0.008 0.000 2.908 187 T HA 0.325 4.675 4.350 -0.000 0.000 0.301 187 T C 1.224 175.929 174.700 0.008 0.000 1.019 187 T CA 0.260 62.365 62.100 0.008 0.000 1.152 187 T CB -0.193 68.680 68.868 0.007 0.000 0.966 187 T HN 2.052 nan 8.240 nan 0.000 0.540 188 T N -0.881 113.679 114.554 0.009 0.000 6.412 188 T HA -0.230 4.120 4.350 -0.000 0.000 0.279 188 T C 0.137 174.844 174.700 0.010 0.000 2.177 188 T CA 0.982 63.087 62.100 0.009 0.000 3.599 188 T CB -2.706 66.166 68.868 0.008 0.000 1.259 188 T HN 2.353 nan 8.240 nan 0.000 1.146 189 S N -0.046 115.661 115.700 0.012 0.000 2.542 189 S HA 0.740 5.209 4.470 -0.000 0.000 0.276 189 S C -0.874 173.735 174.600 0.016 0.000 1.148 189 S CA -0.936 57.272 58.200 0.013 0.000 0.886 189 S CB 1.628 64.835 63.200 0.012 0.000 1.109 189 S HN 0.725 nan 8.310 nan 0.000 0.458 190 I N 1.314 121.896 120.570 0.019 0.000 2.750 190 I HA 0.485 4.654 4.170 -0.000 0.000 0.308 190 I C -0.767 175.364 176.117 0.024 0.000 1.016 190 I CA -0.763 60.551 61.300 0.024 0.000 1.098 190 I CB 1.667 39.686 38.000 0.031 0.000 1.279 190 I HN 0.682 nan 8.210 nan 0.000 0.454 191 D N 4.312 124.728 120.400 0.027 0.000 2.479 191 D HA 0.304 4.944 4.640 -0.000 0.000 0.218 191 D C 1.104 177.424 176.300 0.033 0.000 1.131 191 D CA -0.178 53.837 54.000 0.026 0.000 0.916 191 D CB 0.489 41.304 40.800 0.025 0.000 1.022 191 D HN 0.452 nan 8.370 nan 0.000 0.515 192 I N 2.504 123.091 120.570 0.029 0.000 2.121 192 I HA -0.441 3.729 4.170 -0.000 0.000 0.243 192 I C 2.242 178.379 176.117 0.034 0.000 1.047 192 I CA 1.447 62.765 61.300 0.030 0.000 1.308 192 I CB -0.231 37.780 38.000 0.018 0.000 1.015 192 I HN 0.479 nan 8.210 nan 0.000 0.410 193 M N -0.004 119.613 119.600 0.027 0.000 2.374 193 M HA -0.068 4.412 4.480 -0.000 0.000 0.264 193 M C 2.270 178.595 176.300 0.042 0.000 1.067 193 M CA 1.630 56.947 55.300 0.028 0.000 1.103 193 M CB -0.742 31.870 32.600 0.021 0.000 1.402 193 M HN 0.388 nan 8.290 nan 0.000 0.444 194 G N 0.660 109.486 108.800 0.045 0.000 2.394 194 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.215 194 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.215 194 G C 1.544 176.491 174.900 0.079 0.000 1.165 194 G CA 0.199 45.329 45.100 0.050 0.000 0.784 194 G HN 0.286 nan 8.290 nan 0.000 0.535 195 L N -0.093 121.191 121.223 0.102 0.000 1.978 195 L HA -0.260 4.080 4.340 -0.000 0.000 0.218 195 L C 3.006 180.052 176.870 0.293 0.000 1.075 195 L CA 2.248 57.203 54.840 0.190 0.000 0.767 195 L CB -0.551 41.633 42.059 0.208 0.000 0.890 195 L HN 0.360 nan 8.230 nan 0.000 0.434 196 Q N -0.702 119.208 119.800 0.182 0.000 2.012 196 Q HA -0.324 4.016 4.340 -0.000 0.000 0.211 196 Q C 2.147 178.253 176.000 0.177 0.000 1.009 196 Q CA 2.725 58.614 55.803 0.142 0.000 0.866 196 Q CB -0.281 28.483 28.738 0.042 0.000 0.945 196 Q HN 0.587 nan 8.270 nan 0.000 0.414 197 A N 0.293 123.179 122.820 0.111 0.000 1.958 197 A HA -0.244 4.076 4.320 -0.000 0.000 0.221 197 A C 2.229 179.873 177.584 0.100 0.000 1.178 197 A CA 2.082 54.172 52.037 0.088 0.000 0.642 197 A CB -1.134 17.902 19.000 0.059 0.000 0.816 197 A HN 0.617 nan 8.150 nan 0.000 0.453 198 A N -1.686 121.197 122.820 0.106 0.000 1.933 198 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 198 A C 2.063 179.641 177.584 -0.009 0.000 1.175 198 A CA 1.534 53.587 52.037 0.025 0.000 0.628 198 A CB -0.691 18.288 19.000 -0.035 0.000 0.814 198 A HN 0.596 nan 8.150 nan 0.000 0.444 199 Y N -0.167 120.150 120.300 0.029 0.000 2.220 199 Y HA -0.012 4.538 4.550 -0.000 0.000 0.291 199 Y C 2.928 178.863 175.900 0.057 0.000 1.129 199 Y CA 0.759 58.883 58.100 0.039 0.000 1.161 199 Y CB -0.656 37.816 38.460 0.020 0.000 0.997 199 Y HN 0.317 nan 8.280 nan 0.000 0.522 200 A N 0.608 123.557 122.820 0.214 0.000 1.884 200 A HA -0.343 3.977 4.320 -0.000 0.000 0.219 200 A C 2.119 179.791 177.584 0.147 0.000 1.197 200 A CA 2.341 54.463 52.037 0.142 0.000 0.637 200 A CB -1.107 17.947 19.000 0.090 0.000 0.827 200 A HN 0.517 nan 8.150 nan 0.000 0.450 201 N N -0.230 118.532 118.700 0.102 0.000 2.272 201 N HA -0.110 4.630 4.740 -0.000 0.000 0.185 201 N C 1.490 177.046 175.510 0.077 0.000 1.014 201 N CA 1.235 54.330 53.050 0.075 0.000 0.870 201 N CB -0.330 38.182 38.487 0.043 0.000 0.975 201 N HN 0.517 nan 8.380 nan 0.000 0.433 202 L N -0.105 121.169 121.223 0.084 0.000 1.938 202 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 202 L C 2.242 179.194 176.870 0.137 0.000 1.085 202 L CA 1.709 56.598 54.840 0.081 0.000 0.760 202 L CB -1.300 40.801 42.059 0.071 0.000 0.888 202 L HN 0.442 nan 8.230 nan 0.000 0.433 203 H N 0.233 119.352 119.070 0.082 0.000 2.346 203 H HA -0.293 4.263 4.556 -0.000 0.000 0.285 203 H C 2.141 177.519 175.328 0.083 0.000 1.123 203 H CA 3.029 59.130 56.048 0.089 0.000 1.182 203 H CB -0.072 29.743 29.762 0.088 0.000 1.351 203 H HN 0.571 nan 8.280 nan 0.000 0.475 204 T N -1.345 113.295 114.554 0.143 0.000 2.643 204 T HA -0.150 4.199 4.350 -0.000 0.000 0.264 204 T C 1.736 176.453 174.700 0.030 0.000 1.045 204 T CA 1.485 63.624 62.100 0.065 0.000 1.155 204 T CB -0.465 68.454 68.868 0.086 0.000 0.863 204 T HN 0.220 nan 8.240 nan 0.000 0.420 205 D N 1.329 121.756 120.400 0.045 0.000 2.137 205 D HA -0.139 4.501 4.640 -0.000 0.000 0.189 205 D C 2.434 178.759 176.300 0.042 0.000 0.998 205 D CA 1.653 55.672 54.000 0.032 0.000 0.839 205 D CB -0.692 40.126 40.800 0.030 0.000 0.962 205 D HN 0.593 nan 8.370 nan 0.000 0.446 206 Q N 0.375 120.219 119.800 0.073 0.000 1.943 206 Q HA -0.246 4.094 4.340 -0.000 0.000 0.213 206 Q C 2.251 178.356 176.000 0.175 0.000 1.017 206 Q CA 2.002 57.898 55.803 0.154 0.000 0.874 206 Q CB -0.223 28.567 28.738 0.087 0.000 0.960 206 Q HN 0.392 nan 8.270 nan 0.000 0.417 207 E N 0.075 120.317 120.200 0.070 0.000 2.048 207 E HA -0.262 4.088 4.350 -0.000 0.000 0.202 207 E C 2.097 178.752 176.600 0.092 0.000 1.021 207 E CA 1.309 57.816 56.400 0.178 0.000 0.825 207 E CB -0.168 29.586 29.700 0.090 0.000 0.756 207 E HN 0.208 nan 8.360 nan 0.000 0.454 208 R N 0.455 120.982 120.500 0.045 0.000 2.154 208 R HA -0.195 4.145 4.340 -0.000 0.000 0.248 208 R C 1.724 177.994 176.300 -0.050 0.000 1.155 208 R CA 1.715 57.824 56.100 0.016 0.000 0.979 208 R CB -0.109 30.200 30.300 0.014 0.000 0.869 208 R HN 0.229 nan 8.270 nan 0.000 0.452 209 D N -1.504 118.832 120.400 -0.106 0.000 2.234 209 D HA -0.096 4.543 4.640 -0.000 0.000 0.205 209 D C 1.083 177.101 176.300 -0.471 0.000 0.962 209 D CA 1.256 55.076 54.000 -0.299 0.000 0.855 209 D CB 0.095 40.630 40.800 -0.441 0.000 0.951 209 D HN 0.342 nan 8.370 nan 0.000 0.500 210 Y N -1.476 118.503 120.300 -0.534 0.000 2.581 210 Y HA 0.210 4.760 4.550 -0.000 0.000 0.271 210 Y C 0.522 175.913 175.900 -0.848 0.000 1.100 210 Y CA -0.150 57.403 58.100 -0.911 0.000 1.281 210 Y CB 0.356 37.717 38.460 -1.831 0.000 1.237 210 Y HN -0.219 nan 8.280 nan 0.000 0.514 211 F N 1.804 121.862 119.950 0.180 0.000 2.532 211 F HA 0.590 5.117 4.527 -0.000 0.000 0.313 211 F C -0.284 175.544 175.800 0.047 0.000 1.301 211 F CA -1.346 56.705 58.000 0.085 0.000 1.154 211 F CB 0.094 39.121 39.000 0.046 0.000 1.335 211 F HN -0.018 nan 8.300 nan 0.000 0.542 212 M N -0.035 119.649 119.600 0.141 0.000 3.242 212 M HA 0.225 4.705 4.480 -0.000 0.000 0.209 212 M C -0.989 175.337 176.300 0.043 0.000 0.651 212 M CA -0.467 54.887 55.300 0.090 0.000 0.904 212 M CB 0.721 33.368 32.600 0.077 0.000 1.369 212 M HN 0.055 nan 8.290 nan 0.000 0.590 213 Q N -0.621 119.205 119.800 0.043 0.000 2.015 213 Q HA 0.375 4.714 4.340 -0.000 0.000 0.167 213 Q C -0.282 175.747 176.000 0.049 0.000 0.695 213 Q CA -0.146 55.672 55.803 0.024 0.000 0.805 213 Q CB 0.624 29.367 28.738 0.008 0.000 1.201 213 Q HN 0.716 nan 8.270 nan 0.000 0.370 214 R N -0.165 120.376 120.500 0.069 0.000 2.560 214 R HA 0.144 4.484 4.340 -0.000 0.000 0.270 214 R C 0.470 176.850 176.300 0.133 0.000 1.074 214 R CA -0.086 56.078 56.100 0.106 0.000 1.140 214 R CB 0.374 30.739 30.300 0.110 0.000 1.073 214 R HN 0.118 nan 8.270 nan 0.000 0.527 215 Y N 2.488 122.804 120.300 0.027 0.000 2.145 215 Y HA -0.208 4.342 4.550 -0.000 0.000 0.286 215 Y C 1.754 177.665 175.900 0.017 0.000 1.145 215 Y CA 1.733 59.811 58.100 -0.037 0.000 1.148 215 Y CB 0.082 38.415 38.460 -0.213 0.000 0.981 215 Y HN 0.525 nan 8.280 nan 0.000 0.507 216 R N 0.105 120.663 120.500 0.096 0.000 2.154 216 R HA -0.215 4.124 4.340 -0.000 0.000 0.248 216 R C 1.544 177.813 176.300 -0.051 0.000 1.155 216 R CA 1.735 57.840 56.100 0.008 0.000 0.979 216 R CB -0.507 29.868 30.300 0.125 0.000 0.869 216 R HN 0.433 nan 8.270 nan 0.000 0.452 217 D N -0.218 120.178 120.400 -0.007 0.000 2.123 217 D HA -0.075 4.565 4.640 -0.000 0.000 0.200 217 D C 1.992 178.291 176.300 -0.001 0.000 0.976 217 D CA 0.796 54.804 54.000 0.014 0.000 0.831 217 D CB -0.073 40.757 40.800 0.049 0.000 0.974 217 D HN -0.026 nan 8.370 nan 0.000 0.469 218 V N 1.453 121.346 119.914 -0.035 0.000 2.255 218 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 218 V C 2.418 178.584 176.094 0.120 0.000 1.051 218 V CA 1.108 63.431 62.300 0.039 0.000 1.018 218 V CB -0.443 31.392 31.823 0.021 0.000 0.641 218 V HN 0.213 nan 8.190 nan 0.000 0.445 219 I N 1.679 122.171 120.570 -0.131 0.000 2.226 219 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 219 I C 2.788 178.956 176.117 0.085 0.000 1.100 219 I CA 2.152 63.406 61.300 -0.077 0.000 1.374 219 I CB -1.388 36.416 38.000 -0.326 0.000 1.057 219 I HN 0.581 nan 8.210 nan 0.000 0.413 220 S N 1.027 116.742 115.700 0.025 0.000 2.400 220 S HA -0.182 4.288 4.470 -0.000 0.000 0.232 220 S C 2.124 176.766 174.600 0.068 0.000 1.025 220 S CA 1.424 59.652 58.200 0.046 0.000 0.993 220 S CB -0.842 62.375 63.200 0.028 0.000 0.808 220 S HN 0.581 nan 8.310 nan 0.000 0.478 221 S N 0.591 116.334 115.700 0.071 0.000 2.474 221 S HA 0.056 4.526 4.470 -0.000 0.000 0.235 221 S C 1.222 175.768 174.600 -0.091 0.000 0.997 221 S CA 0.415 58.596 58.200 -0.032 0.000 0.949 221 S CB -0.840 62.289 63.200 -0.119 0.000 0.766 221 S HN 0.525 nan 8.310 nan 0.000 0.517 222 F N 1.842 121.777 119.950 -0.025 0.000 2.776 222 F HA 0.405 4.932 4.527 -0.000 0.000 0.300 222 F C 1.763 177.555 175.800 -0.012 0.000 1.116 222 F CA 0.088 58.079 58.000 -0.016 0.000 1.375 222 F CB -0.147 38.839 39.000 -0.023 0.000 1.109 222 F HN 0.378 nan 8.300 nan 0.000 0.585 223 G N 0.795 109.684 108.800 0.147 0.000 2.370 223 G HA2 0.093 4.053 3.960 -0.000 0.000 0.268 223 G HA3 0.093 4.053 3.960 -0.000 0.000 0.268 223 G C 0.154 175.101 174.900 0.077 0.000 1.122 223 G CA -0.199 44.951 45.100 0.083 0.000 0.963 223 G HN 0.772 nan 8.290 nan 0.000 0.500 224 G N -1.033 107.809 108.800 0.070 0.000 2.766 224 G HA2 0.812 4.772 3.960 -0.000 0.000 0.288 224 G HA3 0.812 4.772 3.960 -0.000 0.000 0.288 224 G C -0.870 174.044 174.900 0.024 0.000 1.408 224 G CA -0.779 44.344 45.100 0.038 0.000 0.852 224 G HN 0.394 nan 8.290 nan 0.000 0.487 225 K N -0.804 119.608 120.400 0.020 0.000 2.482 225 K HA 0.740 5.060 4.320 -0.000 0.000 0.257 225 K C -1.368 175.257 176.600 0.040 0.000 0.969 225 K CA -0.743 55.561 56.287 0.028 0.000 0.842 225 K CB 2.550 35.072 32.500 0.037 0.000 1.359 225 K HN 0.740 nan 8.250 nan 0.000 0.441 226 T N -1.384 113.211 114.554 0.068 0.000 2.942 226 T HA 0.234 4.583 4.350 -0.000 0.000 0.327 226 T C -1.117 173.682 174.700 0.164 0.000 1.360 226 T CA -0.704 61.472 62.100 0.128 0.000 1.055 226 T CB 1.230 70.212 68.868 0.189 0.000 1.261 226 T HN 0.456 nan 8.240 nan 0.000 0.485 227 S N 3.260 119.065 115.700 0.175 0.000 3.208 227 S HA 0.277 4.747 4.470 -0.000 0.000 0.195 227 S C -0.463 174.265 174.600 0.213 0.000 1.394 227 S CA -0.702 57.597 58.200 0.165 0.000 1.127 227 S CB -0.809 62.460 63.200 0.115 0.000 1.282 227 S HN 0.689 nan 8.310 nan 0.000 0.513 228 Y N 2.055 122.447 120.300 0.154 0.000 2.486 228 Y HA 0.294 4.844 4.550 -0.000 0.000 0.348 228 Y C 0.644 176.615 175.900 0.118 0.000 1.000 228 Y CA -0.527 57.655 58.100 0.138 0.000 1.253 228 Y CB 0.480 39.069 38.460 0.216 0.000 1.140 228 Y HN 0.281 nan 8.280 nan 0.000 0.526 229 D N 4.165 124.393 120.400 -0.285 0.000 2.162 229 D HA -0.051 4.589 4.640 -0.000 0.000 0.205 229 D C 1.964 178.064 176.300 -0.334 0.000 0.964 229 D CA 1.381 55.260 54.000 -0.201 0.000 0.847 229 D CB 0.036 40.728 40.800 -0.180 0.000 0.988 229 D HN 0.739 nan 8.370 nan 0.000 0.480 230 A N 1.081 123.431 122.820 -0.783 0.000 2.310 230 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 230 A C 1.223 178.686 177.584 -0.202 0.000 1.197 230 A CA 1.831 53.536 52.037 -0.553 0.000 0.690 230 A CB -0.764 17.858 19.000 -0.629 0.000 0.779 230 A HN 0.366 nan 8.150 nan 0.000 0.496 231 D N -1.118 119.242 120.400 -0.066 0.000 2.347 231 D HA -0.097 4.543 4.640 -0.000 0.000 0.215 231 D C 0.535 176.830 176.300 -0.009 0.000 0.976 231 D CA 0.527 54.584 54.000 0.095 0.000 0.884 231 D CB -0.470 40.436 40.800 0.178 0.000 0.915 231 D HN 0.355 nan 8.370 nan 0.000 0.526 232 N N -0.166 118.541 118.700 0.011 0.000 2.741 232 N HA -0.225 4.514 4.740 -0.000 0.000 0.251 232 N C -0.549 174.729 175.510 -0.387 0.000 1.112 232 N CA 0.517 53.539 53.050 -0.046 0.000 0.750 232 N CB -1.221 37.242 38.487 -0.040 0.000 1.119 232 N HN 0.439 nan 8.380 nan 0.000 0.561 233 R N 1.717 122.042 120.500 -0.292 0.000 2.343 233 R HA 0.124 4.464 4.340 -0.000 0.000 0.326 233 R C -1.936 174.137 176.300 -0.379 0.000 1.055 233 R CA -0.837 55.062 56.100 -0.336 0.000 0.961 233 R CB 0.461 30.657 30.300 -0.173 0.000 0.978 233 R HN 0.062 nan 8.270 nan 0.000 0.443 234 P HA 0.006 nan 4.420 nan 0.000 0.269 234 P C -0.259 177.071 177.300 0.051 0.000 1.215 234 P CA 0.063 62.957 63.100 -0.343 0.000 0.780 234 P CB 0.734 32.146 31.700 -0.479 0.000 0.898 235 L N 2.175 123.519 121.223 0.201 0.000 2.375 235 L HA 0.185 4.525 4.340 -0.000 0.000 0.271 235 L C 1.699 178.836 176.870 0.444 0.000 1.107 235 L CA -0.703 54.340 54.840 0.339 0.000 0.806 235 L CB 0.476 42.745 42.059 0.349 0.000 1.146 235 L HN 0.276 nan 8.230 nan 0.000 0.447 236 L N 2.667 124.067 121.223 0.295 0.000 2.591 236 L HA 0.014 4.354 4.340 -0.000 0.000 0.228 236 L C 1.521 178.332 176.870 -0.098 0.000 1.133 236 L CA 0.950 55.838 54.840 0.079 0.000 0.880 236 L CB -0.212 41.792 42.059 -0.091 0.000 1.033 236 L HN 0.628 nan 8.230 nan 0.000 0.450 237 V N -1.579 118.301 119.914 -0.057 0.000 0.750 237 V HA -0.531 3.588 4.120 -0.000 0.000 0.094 237 V C 2.068 178.107 176.094 -0.092 0.000 1.079 237 V CA 2.679 64.901 62.300 -0.130 0.000 3.119 237 V CB -1.390 30.247 31.823 -0.310 0.000 0.411 237 V HN 0.513 nan 8.190 nan 0.000 0.336 238 M N -1.474 118.049 119.600 -0.128 0.000 3.192 238 M HA 0.388 4.868 4.480 -0.000 0.000 0.213 238 M C 0.857 177.063 176.300 -0.157 0.000 1.723 238 M CA 1.047 56.271 55.300 -0.127 0.000 1.408 238 M CB -0.087 32.423 32.600 -0.149 0.000 1.067 238 M HN 0.786 nan 8.290 nan 0.000 0.595 239 R N 1.451 121.874 120.500 -0.127 0.000 1.383 239 R HA -0.094 4.245 4.340 -0.000 0.000 0.410 239 R C -1.481 174.687 176.300 -0.220 0.000 1.316 239 R CA 0.814 56.765 56.100 -0.248 0.000 1.123 239 R CB -1.490 28.582 30.300 -0.380 0.000 3.323 239 R HN 0.542 nan 8.270 nan 0.000 0.492 240 S N 2.638 118.236 115.700 -0.170 0.000 2.599 240 S HA 0.746 5.216 4.470 -0.000 0.000 0.287 240 S C -1.002 173.466 174.600 -0.219 0.000 1.105 240 S CA -0.572 57.547 58.200 -0.134 0.000 0.899 240 S CB 2.126 65.322 63.200 -0.006 0.000 1.100 240 S HN 0.870 nan 8.310 nan 0.000 0.482 241 N N 0.458 119.041 118.700 -0.196 0.000 2.371 241 N HA 0.611 5.351 4.740 -0.000 0.000 0.291 241 N C -1.588 173.804 175.510 -0.196 0.000 1.053 241 N CA -0.689 52.211 53.050 -0.251 0.000 0.870 241 N CB 1.107 39.434 38.487 -0.268 0.000 1.503 241 N HN 0.804 nan 8.380 nan 0.000 0.485 242 L N 0.451 121.532 121.223 -0.236 0.000 2.309 242 L HA 0.730 5.070 4.340 -0.000 0.000 0.261 242 L C -0.865 175.910 176.870 -0.158 0.000 1.021 242 L CA -0.859 53.907 54.840 -0.124 0.000 0.823 242 L CB 1.966 43.973 42.059 -0.088 0.000 1.366 242 L HN 0.403 nan 8.230 nan 0.000 0.423 243 W N 0.898 122.156 121.300 -0.069 0.000 2.362 243 W HA 0.719 5.379 4.660 -0.000 0.000 0.316 243 W C -0.343 176.140 176.519 -0.060 0.000 1.024 243 W CA -0.527 56.779 57.345 -0.066 0.000 1.270 243 W CB 1.985 31.427 29.460 -0.032 0.000 1.273 243 W HN 0.542 nan 8.180 nan 0.000 0.424 244 A N 3.506 126.421 122.820 0.159 0.000 2.302 244 A HA 0.663 4.982 4.320 -0.000 0.000 0.295 244 A C -0.042 177.607 177.584 0.108 0.000 1.235 244 A CA 0.107 52.196 52.037 0.087 0.000 0.876 244 A CB 1.040 20.035 19.000 -0.008 0.000 1.133 244 A HN 0.479 nan 8.150 nan 0.000 0.533 245 S N 1.312 117.076 115.700 0.107 0.000 2.973 245 S HA 0.907 5.377 4.470 -0.000 0.000 0.317 245 S C -0.158 174.506 174.600 0.106 0.000 1.196 245 S CA 0.527 58.788 58.200 0.102 0.000 0.894 245 S CB 1.121 64.370 63.200 0.081 0.000 1.292 245 S HN 2.687 nan 8.310 nan 0.000 0.614 246 G N -0.264 108.598 108.800 0.103 0.000 2.515 246 G HA2 0.356 4.316 3.960 -0.000 0.000 0.686 246 G HA3 0.356 4.316 3.960 -0.000 0.000 0.686 246 G C -0.960 174.066 174.900 0.210 0.000 1.274 246 G CA -0.011 45.160 45.100 0.117 0.000 0.874 246 G HN 1.742 nan 8.290 nan 0.000 0.631 247 Y N -0.718 119.593 120.300 0.018 0.000 2.499 247 Y HA -0.095 4.455 4.550 -0.000 0.000 0.124 247 Y C 1.130 177.032 175.900 0.003 0.000 1.694 247 Y CA 1.861 59.970 58.100 0.014 0.000 1.424 247 Y CB -0.572 37.907 38.460 0.032 0.000 2.069 247 Y HN 1.121 nan 8.280 nan 0.000 0.253 248 D N -2.441 118.235 120.400 0.460 0.000 1.769 248 D HA 0.124 4.764 4.640 -0.000 0.000 0.521 248 D C -0.618 175.734 176.300 0.087 0.000 0.976 248 D CA 1.253 55.335 54.000 0.136 0.000 1.053 248 D CB 0.369 41.175 40.800 0.010 0.000 1.746 248 D HN 0.554 nan 8.370 nan 0.000 0.532 249 V N 2.700 122.709 119.914 0.159 0.000 5.534 249 V HA -0.227 3.893 4.120 -0.000 0.000 0.325 249 V C -1.040 175.209 176.094 0.258 0.000 0.622 249 V CA 0.396 62.773 62.300 0.129 0.000 1.198 249 V CB -1.281 30.523 31.823 -0.031 0.000 1.407 249 V HN 0.241 nan 8.190 nan 0.000 0.477 250 D N 2.815 123.397 120.400 0.304 0.000 2.417 250 D HA 0.456 5.096 4.640 -0.000 0.000 0.250 250 D C 0.819 177.295 176.300 0.293 0.000 1.166 250 D CA 1.341 55.652 54.000 0.519 0.000 0.881 250 D CB 1.043 42.044 40.800 0.333 0.000 1.164 250 D HN 0.777 nan 8.370 nan 0.000 0.467 251 G N 0.458 109.361 108.800 0.172 0.000 2.444 251 G HA2 0.371 4.331 3.960 -0.000 0.000 0.268 251 G HA3 0.371 4.331 3.960 -0.000 0.000 0.268 251 G C 0.848 175.761 174.900 0.022 0.000 1.203 251 G CA -0.462 44.653 45.100 0.025 0.000 0.835 251 G HN 0.532 nan 8.290 nan 0.000 0.543 252 T N -2.028 112.537 114.554 0.017 0.000 3.003 252 T HA 0.140 4.490 4.350 -0.000 0.000 0.261 252 T C 0.494 175.195 174.700 0.002 0.000 1.003 252 T CA 0.337 62.448 62.100 0.018 0.000 0.917 252 T CB 0.088 68.975 68.868 0.031 0.000 1.084 252 T HN 0.574 nan 8.240 nan 0.000 0.522 253 D N 0.915 121.309 120.400 -0.010 0.000 2.451 253 D HA 0.143 4.782 4.640 -0.000 0.000 0.259 253 D C 1.376 177.664 176.300 -0.020 0.000 1.201 253 D CA -0.776 53.217 54.000 -0.012 0.000 1.028 253 D CB 0.707 41.500 40.800 -0.012 0.000 1.095 253 D HN 0.095 nan 8.370 nan 0.000 0.539 254 Q N -0.910 118.881 119.800 -0.016 0.000 2.112 254 Q HA -0.215 4.125 4.340 -0.000 0.000 0.206 254 Q C 1.785 177.768 176.000 -0.028 0.000 0.987 254 Q CA 2.746 58.538 55.803 -0.018 0.000 0.858 254 Q CB -0.335 28.395 28.738 -0.013 0.000 0.905 254 Q HN 0.770 nan 8.270 nan 0.000 0.420 255 T N -1.997 112.538 114.554 -0.032 0.000 2.867 255 T HA -0.094 4.256 4.350 -0.000 0.000 0.268 255 T C 1.867 176.530 174.700 -0.061 0.000 1.057 255 T CA 1.254 63.330 62.100 -0.040 0.000 1.136 255 T CB -0.198 68.647 68.868 -0.037 0.000 0.874 255 T HN 0.386 nan 8.240 nan 0.000 0.466 256 S N 1.189 116.845 115.700 -0.073 0.000 2.661 256 S HA 0.421 4.891 4.470 -0.000 0.000 0.162 256 S C 1.274 175.790 174.600 -0.141 0.000 0.788 256 S CA 0.233 58.361 58.200 -0.120 0.000 1.003 256 S CB -0.503 62.616 63.200 -0.135 0.000 0.713 256 S HN 0.443 nan 8.310 nan 0.000 0.519 257 L N 0.017 121.156 121.223 -0.140 0.000 3.982 257 L HA -0.251 4.089 4.340 -0.000 0.000 0.053 257 L C 1.955 178.650 176.870 -0.292 0.000 4.145 257 L CA 1.384 56.154 54.840 -0.116 0.000 0.834 257 L CB -1.887 40.140 42.059 -0.055 0.000 3.418 257 L HN 0.677 nan 8.230 nan 0.000 0.928 258 G N 0.731 109.364 108.800 -0.278 0.000 2.653 258 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.212 258 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.212 258 G C 0.568 174.846 174.900 -1.036 0.000 1.138 258 G CA 0.534 45.367 45.100 -0.445 0.000 0.782 258 G HN 0.492 nan 8.290 nan 0.000 0.535 259 Q N -0.790 118.475 119.800 -0.893 0.000 2.260 259 Q HA 0.571 4.910 4.340 -0.000 0.000 0.242 259 Q C -1.142 174.210 176.000 -1.079 0.000 0.932 259 Q CA -0.236 55.118 55.803 -0.748 0.000 0.891 259 Q CB 0.875 29.413 28.738 -0.333 0.000 1.222 259 Q HN 0.201 nan 8.270 nan 0.000 0.453 260 F N -1.061 118.880 119.950 -0.015 0.000 2.668 260 F HA 0.265 4.792 4.527 -0.000 0.000 0.309 260 F C 0.401 176.180 175.800 -0.037 0.000 1.117 260 F CA -0.780 57.211 58.000 -0.014 0.000 0.951 260 F CB 1.297 40.298 39.000 0.001 0.000 1.323 260 F HN 0.632 nan 8.300 nan 0.000 0.451 261 S N 0.196 115.993 115.700 0.161 0.000 4.213 261 S HA 0.911 5.381 4.470 -0.000 0.000 0.205 261 S C 0.100 174.721 174.600 0.034 0.000 1.008 261 S CA -0.048 58.181 58.200 0.047 0.000 1.742 261 S CB 0.929 64.129 63.200 0.001 0.000 0.754 261 S HN 1.571 nan 8.310 nan 0.000 0.715 262 G N 0.598 109.393 108.800 -0.009 0.000 3.532 262 G HA2 0.308 4.268 3.960 -0.000 0.000 0.272 262 G HA3 0.308 4.268 3.960 -0.000 0.000 0.272 262 G C -0.975 173.919 174.900 -0.010 0.000 3.843 262 G CA -0.839 44.263 45.100 0.003 0.000 0.482 262 G HN 0.581 nan 8.290 nan 0.000 0.274 263 R N 1.288 121.728 120.500 -0.099 0.000 2.389 263 R HA 0.575 4.915 4.340 -0.000 0.000 0.295 263 R C -0.394 175.937 176.300 0.053 0.000 1.075 263 R CA -0.200 55.832 56.100 -0.113 0.000 1.005 263 R CB 1.086 31.099 30.300 -0.478 0.000 0.987 263 R HN 0.171 nan 8.270 nan 0.000 0.452 264 V N 4.708 124.686 119.914 0.107 0.000 2.555 264 V HA 0.241 4.361 4.120 -0.000 0.000 0.302 264 V C 0.377 176.564 176.094 0.155 0.000 1.038 264 V CA -0.500 61.886 62.300 0.144 0.000 0.887 264 V CB 1.725 33.632 31.823 0.139 0.000 0.991 264 V HN 0.892 nan 8.190 nan 0.000 0.434 265 Q N 0.863 120.760 119.800 0.161 0.000 2.101 265 Q HA 0.141 4.481 4.340 -0.000 0.000 0.236 265 Q C 0.221 176.302 176.000 0.134 0.000 0.772 265 Q CA -0.362 55.531 55.803 0.151 0.000 0.944 265 Q CB 1.093 29.931 28.738 0.167 0.000 1.171 265 Q HN 0.837 nan 8.270 nan 0.000 0.463 266 Q N 2.799 122.674 119.800 0.124 0.000 3.606 266 Q HA -0.138 4.202 4.340 -0.000 0.000 0.396 266 Q C -0.433 175.661 176.000 0.157 0.000 1.067 266 Q CA 0.878 56.755 55.803 0.123 0.000 1.141 266 Q CB 0.283 29.091 28.738 0.117 0.000 1.221 266 Q HN 0.235 nan 8.270 nan 0.000 0.542 267 T N 2.177 116.797 114.554 0.111 0.000 2.899 267 T HA 0.626 4.975 4.350 -0.000 0.000 0.284 267 T C -0.543 174.237 174.700 0.133 0.000 1.004 267 T CA -0.531 61.605 62.100 0.060 0.000 1.043 267 T CB 0.758 69.623 68.868 -0.005 0.000 1.013 267 T HN 0.527 nan 8.240 nan 0.000 0.518 268 Y N -1.849 118.442 120.300 -0.016 0.000 2.544 268 Y HA 0.743 5.292 4.550 -0.000 0.000 0.342 268 Y C -1.098 174.793 175.900 -0.015 0.000 1.062 268 Y CA -1.467 56.623 58.100 -0.016 0.000 1.023 268 Y CB 1.625 40.070 38.460 -0.024 0.000 1.308 268 Y HN 0.592 nan 8.280 nan 0.000 0.457 269 K N 2.593 123.076 120.400 0.139 0.000 2.259 269 K HA 0.348 4.668 4.320 -0.000 0.000 0.252 269 K C -1.722 175.002 176.600 0.205 0.000 0.936 269 K CA -1.000 55.331 56.287 0.073 0.000 0.810 269 K CB 1.950 34.458 32.500 0.013 0.000 1.143 269 K HN 0.926 nan 8.250 nan 0.000 0.427 270 H N 1.341 120.467 119.070 0.094 0.000 3.172 270 H HA 0.202 4.758 4.556 -0.000 0.000 0.322 270 H C -1.565 173.799 175.328 0.061 0.000 1.003 270 H CA -0.385 55.716 56.048 0.089 0.000 1.466 270 H CB 1.141 30.993 29.762 0.150 0.000 1.673 270 H HN 0.718 nan 8.280 nan 0.000 0.512 271 S N 3.500 119.012 115.700 -0.313 0.000 2.578 271 S HA 0.707 5.177 4.470 -0.000 0.000 0.301 271 S C -0.673 173.765 174.600 -0.271 0.000 1.091 271 S CA -0.765 57.312 58.200 -0.205 0.000 1.032 271 S CB 2.519 65.656 63.200 -0.106 0.000 1.064 271 S HN 0.260 nan 8.310 nan 0.000 0.508 272 V N 2.671 122.511 119.914 -0.124 0.000 2.577 272 V HA 0.505 4.625 4.120 -0.000 0.000 0.303 272 V C -2.635 173.445 176.094 -0.023 0.000 1.042 272 V CA -1.747 60.515 62.300 -0.063 0.000 0.872 272 V CB 1.615 33.462 31.823 0.040 0.000 0.998 272 V HN 0.767 nan 8.190 nan 0.000 0.423 273 P HA 0.377 nan 4.420 nan 0.000 0.281 273 P C -0.311 177.042 177.300 0.088 0.000 1.249 273 P CA -0.751 62.366 63.100 0.028 0.000 0.810 273 P CB 0.570 32.283 31.700 0.021 0.000 1.008 274 R N 1.643 122.179 120.500 0.060 0.000 3.209 274 R HA -0.101 4.239 4.340 -0.000 0.000 0.307 274 R C -0.469 175.931 176.300 0.167 0.000 0.723 274 R CA 0.726 56.874 56.100 0.080 0.000 1.087 274 R CB -0.906 29.381 30.300 -0.021 0.000 0.904 274 R HN 0.420 nan 8.270 nan 0.000 0.383 275 F N 5.687 125.690 119.950 0.088 0.000 2.402 275 F HA 0.269 4.796 4.527 -0.000 0.000 0.355 275 F C -0.603 175.259 175.800 0.104 0.000 1.123 275 F CA -1.329 56.729 58.000 0.097 0.000 1.021 275 F CB 0.596 39.671 39.000 0.125 0.000 1.160 275 F HN 0.344 nan 8.300 nan 0.000 0.451 276 F N 6.453 126.030 119.950 -0.621 0.000 2.484 276 F HA 0.442 4.968 4.527 -0.000 0.000 0.360 276 F C -0.670 174.746 175.800 -0.640 0.000 1.101 276 F CA -0.329 57.399 58.000 -0.452 0.000 1.251 276 F CB 0.807 39.589 39.000 -0.365 0.000 1.132 276 F HN 0.181 nan 8.300 nan 0.000 0.570 277 V N 9.394 128.785 119.914 -0.870 0.000 2.259 277 V HA 0.158 4.278 4.120 -0.000 0.000 0.267 277 V C -1.656 174.049 176.094 -0.648 0.000 1.051 277 V CA -1.279 60.665 62.300 -0.593 0.000 0.830 277 V CB 0.697 32.369 31.823 -0.252 0.000 1.080 277 V HN 0.712 nan 8.190 nan 0.000 0.467 278 P HA -0.181 nan 4.420 nan 0.000 0.217 278 P C 0.269 177.559 177.300 -0.017 0.000 1.162 278 P CA 1.498 64.551 63.100 -0.078 0.000 0.901 278 P CB 0.286 32.038 31.700 0.087 0.000 0.793 279 E N -3.758 116.495 120.200 0.089 0.000 2.429 279 E HA 0.336 4.685 4.350 -0.000 0.000 0.276 279 E C -0.922 175.780 176.600 0.171 0.000 0.953 279 E CA -1.005 55.468 56.400 0.122 0.000 0.787 279 E CB 0.425 30.255 29.700 0.217 0.000 1.307 279 E HN 0.101 nan 8.360 nan 0.000 0.458 280 H N -0.196 119.007 119.070 0.221 0.000 3.073 280 H HA 0.415 4.971 4.556 -0.000 0.000 0.340 280 H C 0.502 175.911 175.328 0.135 0.000 1.054 280 H CA 1.817 58.011 56.048 0.243 0.000 1.372 280 H CB 0.550 30.562 29.762 0.417 0.000 1.314 280 H HN 0.769 nan 8.280 nan 0.000 0.603 281 G N 0.197 109.071 108.800 0.122 0.000 2.356 281 G HA2 0.408 4.367 3.960 -0.000 0.000 0.294 281 G HA3 0.408 4.367 3.960 -0.000 0.000 0.294 281 G C -1.049 173.549 174.900 -0.503 0.000 1.423 281 G CA -0.628 44.108 45.100 -0.608 0.000 0.806 281 G HN 0.705 nan 8.290 nan 0.000 0.527 282 T N -0.832 113.308 114.554 -0.691 0.000 2.867 282 T HA 0.680 5.030 4.350 -0.000 0.000 0.282 282 T C 0.246 174.812 174.700 -0.223 0.000 1.000 282 T CA -0.589 61.350 62.100 -0.269 0.000 1.042 282 T CB 1.595 70.453 68.868 -0.016 0.000 0.973 282 T HN 0.420 nan 8.240 nan 0.000 0.465 283 M N 3.649 123.209 119.600 -0.068 0.000 2.036 283 M HA 0.371 4.850 4.480 -0.000 0.000 0.337 283 M C -1.151 175.269 176.300 0.199 0.000 1.012 283 M CA -0.597 54.654 55.300 -0.083 0.000 0.962 283 M CB 0.471 32.822 32.600 -0.414 0.000 1.423 283 M HN 0.496 nan 8.290 nan 0.000 0.405 284 F N 1.330 121.266 119.950 -0.023 0.000 2.389 284 F HA 0.350 4.877 4.527 -0.000 0.000 0.337 284 F C 1.554 177.414 175.800 0.100 0.000 1.112 284 F CA -0.702 57.325 58.000 0.045 0.000 1.192 284 F CB 0.797 39.856 39.000 0.099 0.000 1.185 284 F HN 0.562 nan 8.300 nan 0.000 0.552 285 T N -0.727 113.984 114.554 0.262 0.000 3.480 285 T HA 0.545 4.895 4.350 -0.000 0.000 0.229 285 T C 0.184 175.031 174.700 0.245 0.000 0.944 285 T CA -0.077 62.146 62.100 0.205 0.000 1.388 285 T CB -0.288 68.662 68.868 0.136 0.000 1.180 285 T HN 0.399 nan 8.240 nan 0.000 0.414 286 L N 0.030 121.370 121.223 0.196 0.000 0.584 286 L HA 0.296 4.636 4.340 -0.000 0.000 0.356 286 L C -0.780 176.216 176.870 0.211 0.000 1.004 286 L CA -0.144 54.815 54.840 0.199 0.000 1.223 286 L CB -0.987 41.199 42.059 0.213 0.000 0.016 286 L HN 0.998 nan 8.230 nan 0.000 0.091 287 A N 1.968 124.897 122.820 0.180 0.000 2.572 287 A HA 0.998 5.318 4.320 -0.000 0.000 0.295 287 A C -1.685 175.930 177.584 0.053 0.000 1.072 287 A CA -0.343 51.757 52.037 0.105 0.000 0.691 287 A CB 2.158 21.184 19.000 0.044 0.000 1.291 287 A HN 1.289 nan 8.150 nan 0.000 0.404 288 L N 1.384 122.577 121.223 -0.051 0.000 2.505 288 L HA 0.750 5.089 4.340 -0.000 0.000 0.266 288 L C -1.716 174.999 176.870 -0.259 0.000 0.954 288 L CA -0.305 54.489 54.840 -0.076 0.000 0.852 288 L CB 2.069 44.178 42.059 0.083 0.000 1.282 288 L HN 0.572 nan 8.230 nan 0.000 0.403 289 V N 4.955 124.654 119.914 -0.358 0.000 2.495 289 V HA 0.741 4.860 4.120 -0.000 0.000 0.298 289 V C -0.268 175.665 176.094 -0.269 0.000 1.031 289 V CA -0.555 61.473 62.300 -0.454 0.000 0.871 289 V CB 1.740 33.130 31.823 -0.722 0.000 0.988 289 V HN 0.818 nan 8.190 nan 0.000 0.432 290 R N 3.163 123.513 120.500 -0.250 0.000 2.673 290 R HA 0.624 4.964 4.340 -0.000 0.000 0.281 290 R C -1.685 174.572 176.300 -0.071 0.000 0.991 290 R CA -0.597 55.440 56.100 -0.104 0.000 0.896 290 R CB 2.258 32.548 30.300 -0.017 0.000 1.201 290 R HN 0.502 nan 8.270 nan 0.000 0.457 291 F N 3.034 122.993 119.950 0.016 0.000 2.397 291 F HA 0.402 4.929 4.527 -0.000 0.000 0.331 291 F C -1.549 174.402 175.800 0.252 0.000 1.090 291 F CA -1.992 56.094 58.000 0.143 0.000 1.065 291 F CB 1.185 40.270 39.000 0.142 0.000 1.184 291 F HN 0.291 nan 8.300 nan 0.000 0.499 292 P HA 0.156 nan 4.420 nan 0.000 0.274 292 P C -2.765 174.788 177.300 0.423 0.000 1.231 292 P CA -1.349 62.007 63.100 0.427 0.000 0.790 292 P CB 0.332 32.311 31.700 0.465 0.000 0.951 293 P HA 0.176 nan 4.420 nan 0.000 0.278 293 P C -0.765 176.714 177.300 0.298 0.000 1.238 293 P CA 0.168 63.428 63.100 0.267 0.000 0.794 293 P CB 0.555 32.260 31.700 0.008 0.000 0.955 294 T N -1.530 113.214 114.554 0.316 0.000 3.435 294 T HA 0.622 4.972 4.350 -0.000 0.000 0.344 294 T C -0.822 173.979 174.700 0.169 0.000 1.211 294 T CA -0.801 61.423 62.100 0.205 0.000 1.104 294 T CB 0.759 69.710 68.868 0.139 0.000 1.196 294 T HN 0.505 nan 8.240 nan 0.000 0.471 295 A N 1.976 124.876 122.820 0.135 0.000 2.306 295 A HA 0.786 5.106 4.320 -0.000 0.000 0.330 295 A C 1.358 178.936 177.584 -0.011 0.000 1.146 295 A CA -0.313 51.811 52.037 0.146 0.000 0.827 295 A CB 0.838 20.024 19.000 0.310 0.000 1.178 295 A HN 1.241 nan 8.150 nan 0.000 0.490 296 T N -1.600 112.975 114.554 0.035 0.000 3.088 296 T HA 0.113 4.463 4.350 -0.000 0.000 0.259 296 T C 0.847 175.543 174.700 -0.006 0.000 1.122 296 T CA 1.280 63.372 62.100 -0.014 0.000 1.095 296 T CB -0.132 68.822 68.868 0.144 0.000 0.930 296 T HN 0.575 nan 8.240 nan 0.000 0.508 297 K N 0.660 121.101 120.400 0.068 0.000 2.676 297 K HA 0.268 4.588 4.320 -0.000 0.000 0.205 297 K C -0.148 176.523 176.600 0.119 0.000 1.084 297 K CA -0.166 56.174 56.287 0.088 0.000 1.057 297 K CB 0.797 33.352 32.500 0.092 0.000 0.791 297 K HN 0.439 nan 8.250 nan 0.000 0.484 298 E N 1.330 121.516 120.200 -0.022 0.000 2.266 298 E HA 0.333 4.683 4.350 -0.000 0.000 0.277 298 E C -0.820 175.686 176.600 -0.156 0.000 1.018 298 E CA -0.451 55.749 56.400 -0.333 0.000 0.840 298 E CB 0.763 30.265 29.700 -0.330 0.000 1.082 298 E HN 0.097 nan 8.360 nan 0.000 0.395 299 I N 2.353 122.818 120.570 -0.175 0.000 2.846 299 I HA 0.191 4.360 4.170 -0.000 0.000 0.307 299 I C -0.239 175.845 176.117 -0.055 0.000 1.053 299 I CA -1.068 60.176 61.300 -0.093 0.000 1.050 299 I CB 2.027 39.978 38.000 -0.083 0.000 1.239 299 I HN 0.478 nan 8.210 nan 0.000 0.439 300 Q N 2.178 121.946 119.800 -0.054 0.000 2.332 300 Q HA 0.081 4.421 4.340 -0.000 0.000 0.263 300 Q C 0.195 176.211 176.000 0.027 0.000 0.979 300 Q CA -0.156 55.642 55.803 -0.008 0.000 0.885 300 Q CB 0.964 29.669 28.738 -0.056 0.000 1.218 300 Q HN 0.596 nan 8.270 nan 0.000 0.405 301 Y N 3.310 123.601 120.300 -0.017 0.000 2.069 301 Y HA -0.318 4.232 4.550 -0.000 0.000 0.278 301 Y C 1.611 177.392 175.900 -0.198 0.000 1.175 301 Y CA 1.962 60.015 58.100 -0.078 0.000 1.134 301 Y CB -0.042 38.400 38.460 -0.030 0.000 0.965 301 Y HN 0.626 nan 8.280 nan 0.000 0.498 302 L N 0.323 121.495 121.223 -0.084 0.000 2.349 302 L HA -0.262 4.077 4.340 -0.000 0.000 0.220 302 L C 1.451 178.204 176.870 -0.195 0.000 1.130 302 L CA 1.212 55.930 54.840 -0.203 0.000 0.791 302 L CB -0.553 41.413 42.059 -0.155 0.000 0.918 302 L HN 0.388 nan 8.230 nan 0.000 0.444 303 N N -0.370 118.234 118.700 -0.160 0.000 2.325 303 N HA 0.100 4.840 4.740 -0.000 0.000 0.182 303 N C 1.261 176.673 175.510 -0.162 0.000 1.088 303 N CA 0.901 53.865 53.050 -0.143 0.000 0.879 303 N CB 0.751 39.167 38.487 -0.117 0.000 0.983 303 N HN 0.242 nan 8.380 nan 0.000 0.471 304 A N -0.036 122.659 122.820 -0.210 0.000 2.545 304 A HA 0.159 4.479 4.320 -0.000 0.000 0.263 304 A C 1.773 179.180 177.584 -0.295 0.000 1.202 304 A CA -0.228 51.686 52.037 -0.205 0.000 0.959 304 A CB 0.368 19.280 19.000 -0.145 0.000 1.124 304 A HN -0.006 nan 8.150 nan 0.000 0.543 305 K N -0.128 120.002 120.400 -0.450 0.000 2.186 305 K HA 0.310 4.630 4.320 -0.000 0.000 0.202 305 K C 1.066 177.475 176.600 -0.318 0.000 1.052 305 K CA 1.214 57.170 56.287 -0.550 0.000 0.965 305 K CB -0.009 31.960 32.500 -0.885 0.000 0.746 305 K HN 0.723 nan 8.250 nan 0.000 0.457 306 G N -0.042 108.607 108.800 -0.252 0.000 2.341 306 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.196 306 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.196 306 G C -1.032 173.780 174.900 -0.147 0.000 1.231 306 G CA -0.375 44.625 45.100 -0.167 0.000 1.155 306 G HN 0.385 nan 8.290 nan 0.000 0.529 307 A N 0.023 122.779 122.820 -0.106 0.000 2.561 307 A HA 0.463 4.783 4.320 -0.000 0.000 0.251 307 A C 0.739 178.269 177.584 -0.090 0.000 1.062 307 A CA 0.612 52.601 52.037 -0.080 0.000 0.761 307 A CB -0.570 18.396 19.000 -0.057 0.000 0.986 307 A HN 1.238 nan 8.150 nan 0.000 0.510 308 L N 3.918 125.094 121.223 -0.078 0.000 2.313 308 L HA 0.265 4.605 4.340 -0.000 0.000 0.282 308 L C 0.829 177.687 176.870 -0.021 0.000 1.092 308 L CA -0.223 54.571 54.840 -0.076 0.000 0.831 308 L CB 0.810 42.831 42.059 -0.063 0.000 1.159 308 L HN 0.767 nan 8.230 nan 0.000 0.442 309 T N 0.355 114.902 114.554 -0.012 0.000 2.880 309 T HA 0.080 4.430 4.350 -0.000 0.000 0.279 309 T C 0.624 175.397 174.700 0.121 0.000 0.990 309 T CA -0.268 61.865 62.100 0.056 0.000 0.938 309 T CB 0.936 69.833 68.868 0.049 0.000 1.206 309 T HN 0.466 nan 8.240 nan 0.000 0.573 310 Y N 1.562 121.887 120.300 0.043 0.000 2.200 310 Y HA -0.140 4.409 4.550 -0.000 0.000 0.290 310 Y C 2.739 178.712 175.900 0.122 0.000 1.137 310 Y CA 2.117 60.263 58.100 0.077 0.000 1.163 310 Y CB -0.844 37.655 38.460 0.065 0.000 0.988 310 Y HN 0.729 nan 8.280 nan 0.000 0.518 311 T N -3.045 111.551 114.554 0.070 0.000 3.098 311 T HA -0.081 4.268 4.350 -0.000 0.000 0.266 311 T C 0.912 175.653 174.700 0.067 0.000 1.145 311 T CA 1.441 63.526 62.100 -0.026 0.000 1.092 311 T CB -0.469 68.397 68.868 -0.002 0.000 0.908 311 T HN 0.427 nan 8.240 nan 0.000 0.526 312 D N 0.829 121.273 120.400 0.074 0.000 2.277 312 D HA 0.249 4.889 4.640 -0.000 0.000 0.209 312 D C 1.791 178.288 176.300 0.329 0.000 0.970 312 D CA 0.380 54.398 54.000 0.032 0.000 0.874 312 D CB 0.132 40.761 40.800 -0.284 0.000 0.982 312 D HN 0.435 nan 8.370 nan 0.000 0.504 313 I N 0.442 121.157 120.570 0.242 0.000 3.939 313 I HA 0.196 4.366 4.170 -0.000 0.000 0.313 313 I C 2.136 178.379 176.117 0.210 0.000 1.274 313 I CA 0.062 61.556 61.300 0.325 0.000 1.301 313 I CB 0.019 38.131 38.000 0.186 0.000 1.105 313 I HN -0.059 nan 8.210 nan 0.000 0.427 314 A N 1.418 124.232 122.820 -0.011 0.000 1.873 314 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 314 A C 2.118 179.638 177.584 -0.107 0.000 1.193 314 A CA 2.115 54.025 52.037 -0.212 0.000 0.629 314 A CB -1.146 17.320 19.000 -0.891 0.000 0.826 314 A HN 0.591 nan 8.150 nan 0.000 0.447 315 G N -1.000 107.815 108.800 0.025 0.000 2.148 315 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.254 315 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.254 315 G C 0.043 174.729 174.900 -0.356 0.000 0.981 315 G CA 0.667 45.470 45.100 -0.496 0.000 0.670 315 G HN 0.663 nan 8.290 nan 0.000 0.528 316 D N 1.340 121.721 120.400 -0.032 0.000 2.479 316 D HA 0.178 4.818 4.640 -0.000 0.000 0.253 316 D C 0.581 176.948 176.300 0.112 0.000 1.278 316 D CA -1.204 52.818 54.000 0.038 0.000 1.145 316 D CB 0.573 41.414 40.800 0.068 0.000 1.118 316 D HN 0.307 nan 8.370 nan 0.000 0.513 317 P HA -0.284 nan 4.420 nan 0.000 0.221 317 P C 1.581 178.934 177.300 0.088 0.000 1.153 317 P CA 0.796 63.892 63.100 -0.007 0.000 0.858 317 P CB 0.297 31.965 31.700 -0.054 0.000 0.783 318 V N 0.347 120.316 119.914 0.091 0.000 2.252 318 V HA -0.257 3.863 4.120 -0.000 0.000 0.249 318 V C 2.919 179.084 176.094 0.118 0.000 1.056 318 V CA 1.899 64.255 62.300 0.094 0.000 1.022 318 V CB -1.255 30.624 31.823 0.093 0.000 0.641 318 V HN 0.034 nan 8.190 nan 0.000 0.445 319 L N -1.604 119.713 121.223 0.156 0.000 1.973 319 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 319 L C 2.566 179.504 176.870 0.113 0.000 1.073 319 L CA 1.898 56.808 54.840 0.117 0.000 0.746 319 L CB -0.960 41.152 42.059 0.090 0.000 0.891 319 L HN 0.246 nan 8.230 nan 0.000 0.433 320 Y N 0.685 120.992 120.300 0.012 0.000 2.365 320 Y HA -0.192 4.358 4.550 -0.000 0.000 0.287 320 Y C 2.436 178.324 175.900 -0.020 0.000 1.162 320 Y CA 1.204 59.294 58.100 -0.017 0.000 1.260 320 Y CB -1.009 37.415 38.460 -0.059 0.000 0.976 320 Y HN 0.174 nan 8.280 nan 0.000 0.548 321 G N -0.597 108.295 108.800 0.154 0.000 2.411 321 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.213 321 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.213 321 G C 0.842 175.780 174.900 0.064 0.000 1.166 321 G CA 0.174 45.324 45.100 0.084 0.000 0.802 321 G HN 0.226 nan 8.290 nan 0.000 0.533 322 N N 0.721 119.461 118.700 0.067 0.000 3.040 322 N HA 0.416 5.156 4.740 -0.000 0.000 0.305 322 N C -1.255 174.284 175.510 0.048 0.000 1.611 322 N CA 0.109 53.194 53.050 0.057 0.000 1.049 322 N CB 1.304 39.827 38.487 0.060 0.000 1.342 322 N HN 0.148 nan 8.380 nan 0.000 0.497 323 L N 1.451 122.697 121.223 0.037 0.000 2.614 323 L HA 0.377 4.717 4.340 -0.000 0.000 0.264 323 L C -2.304 174.578 176.870 0.019 0.000 0.940 323 L CA -1.406 53.447 54.840 0.022 0.000 0.903 323 L CB 3.217 45.274 42.059 -0.003 0.000 1.306 323 L HN 0.025 nan 8.230 nan 0.000 0.410 324 P HA 0.244 nan 4.420 nan 0.000 0.271 324 P C -2.613 174.700 177.300 0.021 0.000 1.244 324 P CA -1.008 62.107 63.100 0.025 0.000 0.793 324 P CB -0.349 31.367 31.700 0.027 0.000 0.984 325 P HA 0.049 nan 4.420 nan 0.000 0.272 325 P C -0.019 177.299 177.300 0.030 0.000 1.239 325 P CA 0.410 63.527 63.100 0.028 0.000 0.807 325 P CB 0.352 32.075 31.700 0.039 0.000 0.951 326 R N 0.654 121.177 120.500 0.039 0.000 2.686 326 R HA 0.292 4.632 4.340 -0.000 0.000 0.286 326 R C -0.671 175.645 176.300 0.027 0.000 0.969 326 R CA -0.582 55.545 56.100 0.045 0.000 0.898 326 R CB 1.235 31.587 30.300 0.088 0.000 1.183 326 R HN 0.427 nan 8.270 nan 0.000 0.456 327 E N 3.806 124.007 120.200 0.001 0.000 2.259 327 E HA 0.252 4.602 4.350 -0.000 0.000 0.281 327 E C -0.202 176.337 176.600 -0.102 0.000 1.027 327 E CA -0.212 56.155 56.400 -0.055 0.000 0.838 327 E CB 1.176 30.845 29.700 -0.051 0.000 1.066 327 E HN 0.388 nan 8.360 nan 0.000 0.401 328 I N 0.981 121.374 120.570 -0.295 0.000 3.217 328 I HA 0.350 4.520 4.170 -0.000 0.000 0.308 328 I C 0.101 175.898 176.117 -0.532 0.000 1.091 328 I CA -0.831 60.288 61.300 -0.301 0.000 1.013 328 I CB 1.872 39.687 38.000 -0.307 0.000 1.250 328 I HN 0.440 nan 8.210 nan 0.000 0.496 329 S N 1.117 116.619 115.700 -0.330 0.000 2.548 329 S HA 0.410 4.880 4.470 -0.000 0.000 0.286 329 S C 0.447 175.030 174.600 -0.027 0.000 1.098 329 S CA -0.825 57.251 58.200 -0.207 0.000 0.930 329 S CB 1.932 65.085 63.200 -0.078 0.000 1.070 329 S HN 0.516 nan 8.310 nan 0.000 0.480 330 M N 1.297 120.982 119.600 0.142 0.000 2.260 330 M HA -0.112 4.368 4.480 -0.000 0.000 0.261 330 M C 1.862 178.300 176.300 0.230 0.000 1.066 330 M CA 1.621 57.109 55.300 0.313 0.000 1.082 330 M CB -1.361 31.359 32.600 0.200 0.000 1.388 330 M HN 0.915 nan 8.290 nan 0.000 0.419 331 K N 0.278 120.739 120.400 0.101 0.000 2.365 331 K HA -0.136 4.184 4.320 -0.000 0.000 0.199 331 K C 0.891 177.513 176.600 0.037 0.000 1.045 331 K CA 0.976 57.300 56.287 0.062 0.000 0.962 331 K CB 0.156 32.662 32.500 0.010 0.000 0.759 331 K HN 0.155 nan 8.250 nan 0.000 0.469 332 D N -0.422 120.002 120.400 0.040 0.000 2.355 332 D HA -0.024 4.616 4.640 -0.000 0.000 0.218 332 D C 0.800 177.139 176.300 0.066 0.000 1.004 332 D CA 0.567 54.555 54.000 -0.020 0.000 0.880 332 D CB 0.781 41.587 40.800 0.009 0.000 0.911 332 D HN 0.057 nan 8.370 nan 0.000 0.528 333 V N -1.227 118.772 119.914 0.141 0.000 3.426 333 V HA 0.250 4.370 4.120 -0.000 0.000 0.279 333 V C -0.117 175.874 176.094 -0.172 0.000 1.544 333 V CA -0.093 62.242 62.300 0.059 0.000 1.017 333 V CB 0.459 32.371 31.823 0.148 0.000 0.821 333 V HN -0.134 nan 8.190 nan 0.000 0.432 334 F N 0.366 120.301 119.950 -0.025 0.000 2.588 334 F HA 0.690 5.217 4.527 -0.000 0.000 0.314 334 F C 0.222 175.980 175.800 -0.069 0.000 1.069 334 F CA -1.023 56.931 58.000 -0.078 0.000 0.931 334 F CB 1.759 40.672 39.000 -0.145 0.000 1.260 334 F HN -0.155 nan 8.300 nan 0.000 0.465 335 R N 0.920 121.513 120.500 0.156 0.000 2.390 335 R HA 0.421 4.761 4.340 -0.000 0.000 0.291 335 R C 0.396 176.718 176.300 0.035 0.000 1.070 335 R CA 0.775 56.904 56.100 0.048 0.000 1.014 335 R CB 0.681 30.982 30.300 0.002 0.000 1.007 335 R HN 0.917 nan 8.270 nan 0.000 0.466 336 S N 0.201 115.904 115.700 0.004 0.000 3.586 336 S HA -0.154 4.316 4.470 -0.000 0.000 0.309 336 S C 0.280 174.855 174.600 -0.040 0.000 1.195 336 S CA 0.474 58.661 58.200 -0.021 0.000 0.895 336 S CB -2.471 60.709 63.200 -0.034 0.000 0.983 336 S HN 1.049 nan 8.310 nan 0.000 0.563 337 G N 0.275 109.070 108.800 -0.008 0.000 2.504 337 G HA2 0.503 4.462 3.960 -0.000 0.000 0.288 337 G HA3 0.503 4.462 3.960 -0.000 0.000 0.288 337 G C -0.672 174.218 174.900 -0.017 0.000 1.182 337 G CA -0.050 45.028 45.100 -0.037 0.000 0.894 337 G HN 0.388 nan 8.290 nan 0.000 0.521 338 D N -0.037 120.350 120.400 -0.021 0.000 2.411 338 D HA 0.174 4.814 4.640 -0.000 0.000 0.225 338 D C 1.836 178.143 176.300 0.011 0.000 1.156 338 D CA -0.144 53.853 54.000 -0.005 0.000 0.874 338 D CB 0.891 41.687 40.800 -0.007 0.000 1.034 338 D HN 0.195 nan 8.370 nan 0.000 0.502 339 S N 2.033 117.734 115.700 0.001 0.000 2.402 339 S HA -0.279 4.191 4.470 -0.000 0.000 0.233 339 S C 1.974 176.569 174.600 -0.008 0.000 1.030 339 S CA 1.394 59.590 58.200 -0.007 0.000 1.003 339 S CB -0.504 62.687 63.200 -0.015 0.000 0.813 339 S HN 0.494 nan 8.310 nan 0.000 0.477 340 S N 1.778 117.478 115.700 -0.000 0.000 2.382 340 S HA -0.042 4.428 4.470 -0.000 0.000 0.228 340 S C 0.654 175.261 174.600 0.011 0.000 1.027 340 S CA 0.446 58.647 58.200 0.003 0.000 0.991 340 S CB -0.571 62.633 63.200 0.007 0.000 0.823 340 S HN 0.563 nan 8.310 nan 0.000 0.469 341 K N 2.136 122.552 120.400 0.027 0.000 2.284 341 K HA 0.376 4.696 4.320 -0.000 0.000 0.287 341 K C -0.361 176.271 176.600 0.054 0.000 1.081 341 K CA -0.140 56.181 56.287 0.057 0.000 0.910 341 K CB 1.023 33.574 32.500 0.085 0.000 1.088 341 K HN 0.332 nan 8.250 nan 0.000 0.478 342 K N 2.074 122.488 120.400 0.023 0.000 2.288 342 K HA 0.604 4.924 4.320 -0.000 0.000 0.234 342 K C -0.648 175.967 176.600 0.026 0.000 1.037 342 K CA -0.978 55.257 56.287 -0.087 0.000 0.914 342 K CB 0.969 33.408 32.500 -0.102 0.000 1.197 342 K HN 0.385 nan 8.250 nan 0.000 0.471 343 F N -1.908 118.074 119.950 0.053 0.000 2.650 343 F HA 0.452 4.978 4.527 -0.000 0.000 0.310 343 F C -1.132 174.679 175.800 0.018 0.000 1.112 343 F CA -1.343 56.669 58.000 0.021 0.000 0.986 343 F CB 0.794 39.825 39.000 0.052 0.000 1.285 343 F HN 0.127 nan 8.300 nan 0.000 0.440 344 K N 3.356 123.864 120.400 0.179 0.000 2.218 344 K HA 0.663 4.983 4.320 -0.000 0.000 0.276 344 K C -1.016 175.698 176.600 0.191 0.000 1.022 344 K CA -0.520 55.833 56.287 0.111 0.000 0.946 344 K CB 1.898 34.422 32.500 0.041 0.000 1.000 344 K HN 0.819 nan 8.250 nan 0.000 0.468 345 I N 1.245 121.903 120.570 0.146 0.000 2.619 345 I HA 0.300 4.469 4.170 -0.000 0.000 0.292 345 I C -0.846 175.301 176.117 0.049 0.000 1.100 345 I CA -0.811 60.571 61.300 0.137 0.000 1.043 345 I CB 1.799 39.921 38.000 0.202 0.000 1.239 345 I HN 0.773 nan 8.210 nan 0.000 0.420 346 A N 6.553 129.382 122.820 0.016 0.000 2.498 346 A HA 0.149 4.469 4.320 -0.000 0.000 0.239 346 A C 0.175 177.712 177.584 -0.079 0.000 1.068 346 A CA -0.009 52.019 52.037 -0.016 0.000 0.766 346 A CB 0.062 19.052 19.000 -0.017 0.000 1.003 346 A HN 0.741 nan 8.150 nan 0.000 0.497 347 E N 0.496 120.654 120.200 -0.071 0.000 2.417 347 E HA 0.294 4.644 4.350 -0.000 0.000 0.261 347 E C 1.114 177.579 176.600 -0.225 0.000 1.000 347 E CA 1.384 57.687 56.400 -0.161 0.000 0.919 347 E CB 0.475 30.082 29.700 -0.155 0.000 0.955 347 E HN 1.301 nan 8.360 nan 0.000 0.455 348 G N 3.473 111.804 108.800 -0.781 0.000 2.179 348 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.220 348 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.220 348 G C 0.947 175.375 174.900 -0.787 0.000 0.990 348 G CA 0.231 44.894 45.100 -0.728 0.000 0.646 348 G HN 0.477 nan 8.290 nan 0.000 0.517 349 Q N -0.031 119.334 119.800 -0.725 0.000 2.368 349 Q HA -0.039 4.301 4.340 -0.000 0.000 0.210 349 Q C 2.312 178.175 176.000 -0.227 0.000 0.982 349 Q CA 2.223 57.827 55.803 -0.332 0.000 0.884 349 Q CB -0.322 28.329 28.738 -0.144 0.000 0.933 349 Q HN 0.831 nan 8.270 nan 0.000 0.460 350 W N -1.241 120.081 121.300 0.037 0.000 2.338 350 W HA -0.166 4.493 4.660 -0.000 0.000 0.304 350 W C 1.112 177.571 176.519 -0.099 0.000 1.212 350 W CA 0.651 57.960 57.345 -0.060 0.000 1.264 350 W CB -1.270 28.061 29.460 -0.215 0.000 1.142 350 W HN 0.225 nan 8.180 nan 0.000 0.512 351 Y N 0.461 120.805 120.300 0.072 0.000 2.529 351 Y HA 0.100 4.650 4.550 -0.000 0.000 0.290 351 Y C 2.170 178.060 175.900 -0.017 0.000 1.177 351 Y CA 0.649 58.768 58.100 0.032 0.000 1.305 351 Y CB -0.438 38.001 38.460 -0.035 0.000 1.047 351 Y HN -0.064 nan 8.280 nan 0.000 0.522 352 R N -1.449 119.119 120.500 0.113 0.000 2.373 352 R HA 0.128 4.468 4.340 -0.000 0.000 0.221 352 R C -0.701 175.698 176.300 0.166 0.000 0.893 352 R CA 0.097 56.254 56.100 0.095 0.000 1.049 352 R CB 0.624 30.948 30.300 0.041 0.000 1.119 352 R HN 0.230 nan 8.270 nan 0.000 0.535 353 Y N -0.210 120.113 120.300 0.039 0.000 2.562 353 Y HA 0.649 5.199 4.550 -0.000 0.000 0.345 353 Y C -1.976 173.963 175.900 0.064 0.000 1.045 353 Y CA -1.353 56.777 58.100 0.049 0.000 1.028 353 Y CB 1.716 40.203 38.460 0.045 0.000 1.297 353 Y HN -0.091 nan 8.280 nan 0.000 0.463 354 A N 6.735 129.027 122.820 -0.880 0.000 2.386 354 A HA 0.705 5.025 4.320 -0.000 0.000 0.311 354 A C -2.438 174.536 177.584 -1.017 0.000 1.068 354 A CA -1.797 49.736 52.037 -0.839 0.000 0.743 354 A CB 1.084 19.907 19.000 -0.295 0.000 1.258 354 A HN 0.648 nan 8.150 nan 0.000 0.429 355 P HA -0.021 nan 4.420 nan 0.000 0.213 355 P C 0.021 177.347 177.300 0.043 0.000 1.149 355 P CA 0.800 63.815 63.100 -0.141 0.000 0.829 355 P CB 0.209 31.864 31.700 -0.075 0.000 0.548 356 S N -2.833 112.901 115.700 0.056 0.000 2.407 356 S HA 0.132 4.602 4.470 -0.000 0.000 0.327 356 S C -1.334 173.309 174.600 0.071 0.000 0.655 356 S CA -0.665 57.576 58.200 0.068 0.000 0.734 356 S CB -1.287 61.972 63.200 0.099 0.000 1.103 356 S HN 0.478 nan 8.310 nan 0.000 0.514 357 Y N 4.205 124.459 120.300 -0.077 0.000 2.313 357 Y HA 0.730 5.279 4.550 -0.000 0.000 0.332 357 Y C -0.742 175.068 175.900 -0.150 0.000 1.071 357 Y CA -0.616 57.425 58.100 -0.099 0.000 1.169 357 Y CB 0.928 39.345 38.460 -0.071 0.000 1.192 357 Y HN 0.318 nan 8.280 nan 0.000 0.487 358 V N 7.224 126.848 119.914 -0.484 0.000 2.326 358 V HA 0.214 4.334 4.120 -0.000 0.000 0.281 358 V C 0.064 175.735 176.094 -0.705 0.000 1.015 358 V CA -0.676 61.186 62.300 -0.730 0.000 0.823 358 V CB 0.804 32.121 31.823 -0.843 0.000 1.009 358 V HN 0.973 nan 8.190 nan 0.000 0.436 359 S N 7.946 123.105 115.700 -0.902 0.000 2.554 359 S HA 0.075 4.545 4.470 -0.000 0.000 0.290 359 S C -0.599 173.970 174.600 -0.052 0.000 1.309 359 S CA -0.109 57.808 58.200 -0.471 0.000 1.047 359 S CB 0.724 63.804 63.200 -0.199 0.000 0.828 359 S HN 0.705 nan 8.310 nan 0.000 0.509 360 P HA 0.053 nan 4.420 nan 0.000 0.239 360 P C 0.801 178.141 177.300 0.067 0.000 1.184 360 P CA 0.902 64.049 63.100 0.078 0.000 0.760 360 P CB -0.300 31.446 31.700 0.076 0.000 0.884 361 A N -1.372 121.431 122.820 -0.027 0.000 2.167 361 A HA -0.055 4.264 4.320 -0.000 0.000 0.214 361 A C 1.587 179.076 177.584 -0.160 0.000 1.151 361 A CA 0.562 52.519 52.037 -0.133 0.000 0.735 361 A CB -1.079 17.761 19.000 -0.267 0.000 0.802 361 A HN 0.135 nan 8.150 nan 0.000 0.467 362 Y N -1.222 119.045 120.300 -0.055 0.000 2.389 362 Y HA 0.051 4.601 4.550 -0.000 0.000 0.292 362 Y C 1.413 177.351 175.900 0.064 0.000 1.117 362 Y CA 0.395 58.445 58.100 -0.083 0.000 1.195 362 Y CB -0.217 38.060 38.460 -0.306 0.000 1.076 362 Y HN 0.461 nan 8.280 nan 0.000 0.548 363 H N 2.750 121.920 119.070 0.167 0.000 3.184 363 H HA 0.123 4.679 4.556 -0.000 0.000 0.274 363 H C 0.189 175.585 175.328 0.113 0.000 0.962 363 H CA 1.133 57.261 56.048 0.134 0.000 1.441 363 H CB 0.316 30.127 29.762 0.082 0.000 1.518 363 H HN 0.511 nan 8.280 nan 0.000 0.539 364 L N 1.769 122.839 121.223 -0.257 0.000 2.448 364 L HA -0.104 4.236 4.340 -0.000 0.000 0.471 364 L C -1.537 175.330 176.870 -0.006 0.000 0.781 364 L CA 0.512 55.233 54.840 -0.200 0.000 2.190 364 L CB -2.140 39.827 42.059 -0.153 0.000 1.279 364 L HN 0.438 nan 8.230 nan 0.000 0.501 365 L N 0.156 121.449 121.223 0.116 0.000 2.352 365 L HA 0.545 4.884 4.340 -0.000 0.000 0.269 365 L C 1.533 178.515 176.870 0.186 0.000 1.034 365 L CA -0.480 54.486 54.840 0.209 0.000 0.806 365 L CB 1.646 43.971 42.059 0.444 0.000 1.244 365 L HN 0.190 nan 8.230 nan 0.000 0.447 366 E N 1.593 121.845 120.200 0.086 0.000 2.021 366 E HA 0.017 4.367 4.350 -0.000 0.000 0.191 366 E C 0.769 177.320 176.600 -0.083 0.000 0.971 366 E CA 0.341 56.742 56.400 0.003 0.000 0.825 366 E CB -0.092 29.590 29.700 -0.030 0.000 0.788 366 E HN 0.765 nan 8.360 nan 0.000 0.460 367 G N 0.807 109.455 108.800 -0.254 0.000 2.346 367 G HA2 0.269 4.228 3.960 -0.000 0.000 0.275 367 G HA3 0.269 4.228 3.960 -0.000 0.000 0.275 367 G C -0.905 173.526 174.900 -0.781 0.000 1.190 367 G CA 0.144 44.983 45.100 -0.435 0.000 1.015 367 G HN 0.068 nan 8.290 nan 0.000 0.441 368 F N 2.307 122.078 119.950 -0.299 0.000 3.311 368 F HA 0.256 4.783 4.527 -0.000 0.000 0.335 368 F C -2.460 172.967 175.800 -0.621 0.000 1.040 368 F CA -1.868 55.786 58.000 -0.576 0.000 1.391 368 F CB 2.128 40.824 39.000 -0.506 0.000 1.697 368 F HN 0.299 nan 8.300 nan 0.000 0.806 369 P HA 0.141 nan 4.420 nan 0.000 0.238 369 P C 0.431 177.601 177.300 -0.217 0.000 1.714 369 P CA 0.434 63.272 63.100 -0.438 0.000 0.908 369 P CB -0.345 30.672 31.700 -1.139 0.000 1.893 370 F N 0.004 119.975 119.950 0.034 0.000 2.220 370 F HA 0.263 4.790 4.527 -0.000 0.000 0.266 370 F C 2.057 177.910 175.800 0.090 0.000 1.279 370 F CA 0.387 58.424 58.000 0.061 0.000 1.066 370 F CB -0.776 38.239 39.000 0.024 0.000 0.981 370 F HN -0.130 nan 8.300 nan 0.000 0.537 371 I N -2.522 118.239 120.570 0.318 0.000 5.306 371 I HA 0.001 4.171 4.170 -0.000 0.000 0.380 371 I C -0.753 175.447 176.117 0.139 0.000 1.103 371 I CA 0.221 61.638 61.300 0.195 0.000 1.600 371 I CB 0.106 38.268 38.000 0.270 0.000 2.138 371 I HN 0.163 nan 8.210 nan 0.000 0.707 372 Q N 3.564 123.481 119.800 0.194 0.000 2.368 372 Q HA -0.213 4.126 4.340 -0.000 0.000 0.354 372 Q C -0.853 175.223 176.000 0.126 0.000 1.260 372 Q CA 1.488 57.412 55.803 0.202 0.000 1.081 372 Q CB -1.453 27.380 28.738 0.158 0.000 1.196 372 Q HN 0.621 nan 8.270 nan 0.000 0.299 373 E N -1.409 118.841 120.200 0.084 0.000 7.503 373 E HA -0.071 4.278 4.350 -0.000 0.000 0.240 373 E C -2.370 174.117 176.600 -0.189 0.000 0.847 373 E CA -0.114 56.265 56.400 -0.034 0.000 1.600 373 E CB -0.490 29.216 29.700 0.009 0.000 0.902 373 E HN 0.415 nan 8.360 nan 0.000 0.263 374 P HA 0.007 nan 4.420 nan 0.000 0.261 374 P C -2.009 174.976 177.300 -0.526 0.000 1.183 374 P CA -0.536 61.977 63.100 -0.979 0.000 0.761 374 P CB -0.105 30.687 31.700 -1.513 0.000 0.785 375 P HA 0.008 nan 4.420 nan 0.000 0.271 375 P C -0.343 176.886 177.300 -0.118 0.000 1.238 375 P CA 0.151 63.183 63.100 -0.114 0.000 0.794 375 P CB 0.379 32.133 31.700 0.090 0.000 0.959 376 S N -1.984 113.706 115.700 -0.017 0.000 2.546 376 S HA 0.827 5.297 4.470 -0.000 0.000 0.274 376 S C -0.209 174.422 174.600 0.052 0.000 1.121 376 S CA -0.150 58.051 58.200 0.002 0.000 0.887 376 S CB 1.733 64.925 63.200 -0.013 0.000 1.094 376 S HN 1.003 nan 8.310 nan 0.000 0.474 377 G N 1.580 110.419 108.800 0.065 0.000 2.392 377 G HA2 0.312 4.272 3.960 -0.000 0.000 0.677 377 G HA3 0.312 4.272 3.960 -0.000 0.000 0.677 377 G C -1.258 173.708 174.900 0.109 0.000 1.334 377 G CA -0.415 44.734 45.100 0.081 0.000 0.961 377 G HN 1.223 nan 8.290 nan 0.000 0.616 378 D N -0.808 119.657 120.400 0.108 0.000 2.378 378 D HA 0.332 4.971 4.640 -0.000 0.000 0.238 378 D C 1.084 177.488 176.300 0.173 0.000 1.180 378 D CA -0.645 53.430 54.000 0.126 0.000 0.895 378 D CB 0.761 41.625 40.800 0.107 0.000 1.192 378 D HN 1.025 nan 8.370 nan 0.000 0.438 379 L N 0.873 122.208 121.223 0.187 0.000 2.717 379 L HA 0.016 4.355 4.340 -0.000 0.000 0.281 379 L C 0.654 177.734 176.870 0.350 0.000 1.329 379 L CA 1.267 56.255 54.840 0.247 0.000 1.202 379 L CB -1.254 40.902 42.059 0.161 0.000 1.425 379 L HN 0.740 nan 8.230 nan 0.000 0.438 380 Q N -0.216 119.760 119.800 0.292 0.000 2.036 380 Q HA -0.059 4.280 4.340 -0.000 0.000 0.154 380 Q C 0.920 177.038 176.000 0.197 0.000 0.671 380 Q CA -0.238 55.722 55.803 0.262 0.000 0.878 380 Q CB -0.230 28.647 28.738 0.231 0.000 1.138 380 Q HN 0.445 nan 8.270 nan 0.000 0.321 381 E N 1.065 121.373 120.200 0.179 0.000 2.516 381 E HA -0.015 4.334 4.350 -0.000 0.000 0.199 381 E C 1.353 178.070 176.600 0.195 0.000 1.069 381 E CA 0.581 57.075 56.400 0.156 0.000 0.876 381 E CB 0.289 30.064 29.700 0.125 0.000 0.843 381 E HN 0.264 nan 8.360 nan 0.000 0.530 382 R N -0.485 120.161 120.500 0.243 0.000 2.250 382 R HA 0.076 4.416 4.340 -0.000 0.000 0.194 382 R C 1.645 178.179 176.300 0.390 0.000 0.927 382 R CA 0.330 56.625 56.100 0.325 0.000 1.052 382 R CB 0.591 31.082 30.300 0.319 0.000 1.055 382 R HN -0.051 nan 8.270 nan 0.000 0.537 383 V N 1.105 121.197 119.914 0.297 0.000 3.307 383 V HA 0.154 4.274 4.120 -0.000 0.000 0.253 383 V C 0.851 177.049 176.094 0.173 0.000 1.149 383 V CA 0.395 62.843 62.300 0.248 0.000 1.112 383 V CB 0.223 32.183 31.823 0.229 0.000 0.777 383 V HN 0.116 nan 8.190 nan 0.000 0.464 384 L N 0.740 122.048 121.223 0.142 0.000 2.326 384 L HA 0.401 4.741 4.340 -0.000 0.000 0.278 384 L C -0.144 176.746 176.870 0.033 0.000 1.092 384 L CA -0.316 54.566 54.840 0.071 0.000 0.810 384 L CB 1.296 43.412 42.059 0.094 0.000 1.153 384 L HN 0.101 nan 8.230 nan 0.000 0.439 385 I N 3.266 123.787 120.570 -0.081 0.000 2.754 385 I HA 0.016 4.186 4.170 -0.000 0.000 0.285 385 I C 0.646 176.827 176.117 0.106 0.000 1.166 385 I CA 0.171 61.419 61.300 -0.087 0.000 1.417 385 I CB 0.338 38.272 38.000 -0.111 0.000 1.382 385 I HN 0.587 nan 8.210 nan 0.000 0.588 386 R N 5.953 126.562 120.500 0.182 0.000 2.280 386 R HA 0.197 4.536 4.340 -0.000 0.000 0.326 386 R C 0.994 177.406 176.300 0.188 0.000 1.080 386 R CA -0.517 55.697 56.100 0.188 0.000 1.002 386 R CB 0.082 30.489 30.300 0.178 0.000 1.136 386 R HN 0.767 nan 8.270 nan 0.000 0.509 387 H N 2.161 121.254 119.070 0.038 0.000 2.554 387 H HA -0.163 4.392 4.556 -0.000 0.000 0.290 387 H C -0.066 175.290 175.328 0.046 0.000 1.058 387 H CA 1.586 57.648 56.048 0.023 0.000 1.224 387 H CB -0.043 29.608 29.762 -0.185 0.000 1.359 387 H HN 0.745 nan 8.280 nan 0.000 0.589 388 H N 1.124 119.974 119.070 -0.367 0.000 2.384 388 H HA -0.038 4.517 4.556 -0.000 0.000 0.300 388 H C 1.176 176.442 175.328 -0.103 0.000 1.057 388 H CA 0.950 56.807 56.048 -0.319 0.000 1.370 388 H CB 0.182 29.756 29.762 -0.314 0.000 1.417 388 H HN 0.503 nan 8.280 nan 0.000 0.527 389 D N 0.603 120.978 120.400 -0.040 0.000 2.403 389 D HA -0.118 4.522 4.640 -0.000 0.000 0.260 389 D C -0.072 176.006 176.300 -0.370 0.000 1.243 389 D CA 0.563 54.432 54.000 -0.219 0.000 0.918 389 D CB -0.236 40.397 40.800 -0.279 0.000 0.939 389 D HN 0.561 nan 8.370 nan 0.000 0.507 390 Y N 0.071 120.473 120.300 0.170 0.000 2.432 390 Y HA 0.087 4.637 4.550 -0.000 0.000 0.252 390 Y C 1.515 177.675 175.900 0.433 0.000 1.097 390 Y CA -0.523 57.748 58.100 0.284 0.000 1.250 390 Y CB 0.505 39.206 38.460 0.401 0.000 1.245 390 Y HN -0.171 nan 8.280 nan 0.000 0.522 391 D N 0.622 121.254 120.400 0.386 0.000 2.265 391 D HA -0.170 4.470 4.640 -0.000 0.000 0.208 391 D C 1.568 178.048 176.300 0.301 0.000 0.977 391 D CA 1.192 55.397 54.000 0.342 0.000 0.871 391 D CB -0.071 40.835 40.800 0.177 0.000 0.925 391 D HN 0.481 nan 8.370 nan 0.000 0.485 392 Q N -0.568 119.340 119.800 0.181 0.000 2.226 392 Q HA -0.098 4.242 4.340 -0.000 0.000 0.204 392 Q C 1.099 177.102 176.000 0.005 0.000 0.975 392 Q CA 0.955 56.799 55.803 0.069 0.000 0.866 392 Q CB -0.063 28.679 28.738 0.007 0.000 0.915 392 Q HN 0.426 nan 8.270 nan 0.000 0.440 393 C N -0.709 118.563 119.300 -0.047 0.000 2.429 393 C HA 0.619 5.078 4.460 -0.000 0.000 0.310 393 C C -0.332 174.257 174.990 -0.668 0.000 1.446 393 C CA -1.181 57.611 59.018 -0.376 0.000 1.747 393 C CB -1.619 25.803 27.740 -0.530 0.000 2.865 393 C HN 0.022 nan 8.230 nan 0.000 0.554 394 F N -0.475 119.498 119.950 0.038 0.000 2.715 394 F HA 0.443 4.969 4.527 -0.000 0.000 0.318 394 F C 0.843 176.661 175.800 0.031 0.000 1.141 394 F CA -0.637 57.394 58.000 0.052 0.000 0.950 394 F CB 1.460 40.512 39.000 0.087 0.000 1.374 394 F HN -0.074 nan 8.300 nan 0.000 0.477 395 Q N -0.357 119.577 119.800 0.223 0.000 2.245 395 Q HA 0.253 4.592 4.340 -0.000 0.000 0.250 395 Q C -0.471 175.591 176.000 0.103 0.000 0.830 395 Q CA 0.100 55.974 55.803 0.118 0.000 0.950 395 Q CB 1.708 30.489 28.738 0.073 0.000 1.124 395 Q HN 0.383 nan 8.270 nan 0.000 0.502 396 S N -0.101 115.673 115.700 0.123 0.000 2.689 396 S HA 0.275 4.745 4.470 -0.000 0.000 0.274 396 S C -0.410 174.225 174.600 0.059 0.000 1.176 396 S CA -0.476 57.769 58.200 0.074 0.000 1.014 396 S CB 1.594 64.825 63.200 0.051 0.000 1.071 396 S HN -0.022 nan 8.310 nan 0.000 0.478 397 V N 6.189 126.125 119.914 0.038 0.000 3.331 397 V HA 0.140 4.260 4.120 -0.000 0.000 0.332 397 V C 2.003 178.091 176.094 -0.010 0.000 1.341 397 V CA 0.363 62.658 62.300 -0.009 0.000 1.218 397 V CB -0.267 31.558 31.823 0.004 0.000 1.152 397 V HN 0.860 nan 8.190 nan 0.000 0.445 398 Q N 0.172 119.971 119.800 -0.003 0.000 2.045 398 Q HA -0.137 4.203 4.340 -0.000 0.000 0.206 398 Q C 1.309 177.289 176.000 -0.034 0.000 0.991 398 Q CA 1.493 57.289 55.803 -0.012 0.000 0.851 398 Q CB 0.009 28.742 28.738 -0.009 0.000 0.911 398 Q HN 0.493 nan 8.270 nan 0.000 0.418 399 L N 1.676 122.874 121.223 -0.043 0.000 3.001 399 L HA 0.147 4.487 4.340 -0.000 0.000 0.234 399 L C -0.084 176.719 176.870 -0.111 0.000 1.321 399 L CA -0.325 54.471 54.840 -0.072 0.000 1.138 399 L CB -0.387 41.640 42.059 -0.053 0.000 1.503 399 L HN 0.292 nan 8.230 nan 0.000 0.487 400 L N -1.638 119.527 121.223 -0.097 0.000 7.314 400 L HA -0.440 3.899 4.340 -0.000 0.000 0.088 400 L C 1.298 178.048 176.870 -0.199 0.000 1.302 400 L CA 0.778 55.545 54.840 -0.122 0.000 1.585 400 L CB -0.656 41.309 42.059 -0.158 0.000 2.751 400 L HN 0.358 nan 8.230 nan 0.000 1.116 401 Q N -0.420 119.242 119.800 -0.230 0.000 2.331 401 Q HA -0.020 4.320 4.340 -0.000 0.000 0.203 401 Q C -0.216 175.770 176.000 -0.023 0.000 0.944 401 Q CA 1.596 57.200 55.803 -0.331 0.000 0.892 401 Q CB 0.312 28.836 28.738 -0.356 0.000 0.983 401 Q HN 0.545 nan 8.270 nan 0.000 0.482 402 W N 0.262 121.507 121.300 -0.093 0.000 2.900 402 W HA 0.552 5.212 4.660 -0.000 0.000 0.336 402 W C -1.322 175.202 176.519 0.008 0.000 1.064 402 W CA -0.996 56.334 57.345 -0.025 0.000 1.237 402 W CB 0.380 29.823 29.460 -0.029 0.000 1.391 402 W HN -0.248 nan 8.180 nan 0.000 0.468 403 N N 1.737 120.541 118.700 0.174 0.000 2.476 403 N HA 0.534 5.274 4.740 -0.000 0.000 0.276 403 N C -0.858 174.805 175.510 0.255 0.000 1.204 403 N CA 0.008 53.117 53.050 0.098 0.000 0.974 403 N CB 2.005 40.561 38.487 0.116 0.000 1.204 403 N HN 0.486 nan 8.380 nan 0.000 0.543 404 S N 0.120 115.945 115.700 0.208 0.000 2.561 404 S HA 0.152 4.621 4.470 -0.000 0.000 0.292 404 S C -1.598 173.104 174.600 0.171 0.000 1.107 404 S CA -1.100 57.259 58.200 0.265 0.000 0.969 404 S CB 1.067 64.532 63.200 0.441 0.000 1.150 404 S HN 0.319 nan 8.310 nan 0.000 0.451 405 Q N 2.437 122.313 119.800 0.126 0.000 2.274 405 Q HA 0.766 5.106 4.340 -0.000 0.000 0.256 405 Q C -0.353 175.570 176.000 -0.128 0.000 0.927 405 Q CA -0.784 55.062 55.803 0.072 0.000 0.939 405 Q CB 1.548 30.387 28.738 0.168 0.000 1.201 405 Q HN 0.648 nan 8.270 nan 0.000 0.426 406 V N 1.715 121.444 119.914 -0.308 0.000 3.114 406 V HA 0.525 4.645 4.120 -0.000 0.000 0.308 406 V C -0.774 174.995 176.094 -0.542 0.000 1.168 406 V CA -1.052 60.978 62.300 -0.449 0.000 1.015 406 V CB 2.702 34.202 31.823 -0.539 0.000 1.050 406 V HN 0.668 nan 8.190 nan 0.000 0.433 407 K N 2.517 122.586 120.400 -0.551 0.000 2.604 407 K HA 0.533 4.853 4.320 -0.000 0.000 0.247 407 K C -1.767 174.594 176.600 -0.398 0.000 0.956 407 K CA -0.315 55.735 56.287 -0.396 0.000 0.896 407 K CB 1.695 34.036 32.500 -0.265 0.000 1.131 407 K HN 0.441 nan 8.250 nan 0.000 0.440 408 F N 2.358 122.152 119.950 -0.261 0.000 2.377 408 F HA 0.182 4.708 4.527 -0.000 0.000 0.360 408 F C 0.485 176.156 175.800 -0.214 0.000 1.147 408 F CA -0.752 57.081 58.000 -0.279 0.000 1.170 408 F CB 0.315 38.983 39.000 -0.553 0.000 1.339 408 F HN 0.315 nan 8.300 nan 0.000 0.552 409 N N 3.423 122.141 118.700 0.031 0.000 2.399 409 N HA 0.216 4.956 4.740 -0.000 0.000 0.259 409 N C -0.816 174.698 175.510 0.007 0.000 1.160 409 N CA 0.100 53.154 53.050 0.007 0.000 0.946 409 N CB 1.539 40.016 38.487 -0.018 0.000 1.156 409 N HN 0.174 nan 8.380 nan 0.000 0.489 410 V N 1.950 121.868 119.914 0.007 0.000 2.482 410 V HA 0.351 4.471 4.120 -0.000 0.000 0.295 410 V C 0.059 176.136 176.094 -0.027 0.000 1.026 410 V CA -0.816 61.462 62.300 -0.036 0.000 0.856 410 V CB 1.736 33.588 31.823 0.048 0.000 1.001 410 V HN 0.650 nan 8.190 nan 0.000 0.424 411 T N 1.882 116.387 114.554 -0.082 0.000 2.856 411 T HA 0.864 5.214 4.350 -0.000 0.000 0.283 411 T C -0.791 173.883 174.700 -0.042 0.000 1.008 411 T CA -0.788 61.257 62.100 -0.092 0.000 0.997 411 T CB 1.925 70.684 68.868 -0.183 0.000 0.992 411 T HN 0.334 nan 8.240 nan 0.000 0.454 412 V N 2.946 122.869 119.914 0.015 0.000 2.623 412 V HA 0.361 4.481 4.120 -0.000 0.000 0.304 412 V C -1.473 174.765 176.094 0.239 0.000 1.054 412 V CA -1.164 61.271 62.300 0.225 0.000 0.882 412 V CB 1.461 33.450 31.823 0.277 0.000 1.002 412 V HN 0.900 nan 8.190 nan 0.000 0.424 413 Y N 4.435 124.822 120.300 0.145 0.000 2.594 413 Y HA 0.631 5.181 4.550 -0.000 0.000 0.342 413 Y C 0.776 176.773 175.900 0.162 0.000 1.010 413 Y CA -1.008 57.185 58.100 0.155 0.000 1.270 413 Y CB 0.232 38.754 38.460 0.104 0.000 1.125 413 Y HN 0.675 nan 8.280 nan 0.000 0.513 414 R N 0.612 121.319 120.500 0.345 0.000 2.873 414 R HA 0.546 4.886 4.340 -0.000 0.000 0.264 414 R C -0.809 175.640 176.300 0.248 0.000 1.026 414 R CA -1.008 55.216 56.100 0.207 0.000 1.002 414 R CB 1.436 31.775 30.300 0.064 0.000 1.174 414 R HN 0.343 nan 8.270 nan 0.000 0.488 415 N N 2.233 121.031 118.700 0.163 0.000 2.621 415 N HA 0.245 4.985 4.740 -0.000 0.000 0.237 415 N C -1.152 174.437 175.510 0.132 0.000 0.997 415 N CA -0.237 52.918 53.050 0.175 0.000 0.918 415 N CB 0.758 39.320 38.487 0.126 0.000 1.122 415 N HN 0.479 nan 8.380 nan 0.000 0.510 416 L N 3.581 124.911 121.223 0.178 0.000 2.334 416 L HA 0.603 4.943 4.340 -0.000 0.000 0.272 416 L C -1.559 175.408 176.870 0.162 0.000 1.020 416 L CA -1.601 53.305 54.840 0.110 0.000 0.812 416 L CB 1.951 44.025 42.059 0.024 0.000 1.264 416 L HN 0.338 nan 8.230 nan 0.000 0.439 417 P HA 0.159 nan 4.420 nan 0.000 0.302 417 P C -0.434 176.928 177.300 0.103 0.000 1.301 417 P CA -0.276 62.879 63.100 0.091 0.000 0.745 417 P CB 0.413 32.149 31.700 0.061 0.000 1.331 418 T N -0.729 113.865 114.554 0.067 0.000 2.897 418 T HA 0.229 4.579 4.350 -0.000 0.000 0.278 418 T C 1.334 176.064 174.700 0.049 0.000 0.981 418 T CA -0.024 62.108 62.100 0.053 0.000 0.973 418 T CB 0.173 69.059 68.868 0.030 0.000 1.092 418 T HN 0.504 nan 8.240 nan 0.000 0.543 419 T N -0.976 113.602 114.554 0.041 0.000 3.155 419 T HA 0.033 4.383 4.350 -0.000 0.000 0.264 419 T C 0.621 175.337 174.700 0.026 0.000 1.160 419 T CA 0.308 62.428 62.100 0.034 0.000 1.075 419 T CB -0.259 68.627 68.868 0.031 0.000 0.921 419 T HN 0.290 nan 8.240 nan 0.000 0.533 420 R N 1.976 122.491 120.500 0.025 0.000 2.265 420 R HA 0.449 4.789 4.340 -0.000 0.000 0.314 420 R C 0.068 176.381 176.300 0.022 0.000 1.053 420 R CA -0.420 55.691 56.100 0.020 0.000 0.931 420 R CB 0.274 30.584 30.300 0.017 0.000 1.024 420 R HN 0.218 nan 8.270 nan 0.000 0.457 421 D N 0.000 120.411 120.400 0.018 0.000 6.856 421 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 421 D CA 0.000 54.010 54.000 0.017 0.000 0.868 421 D CB 0.000 40.809 40.800 0.015 0.000 0.688 421 D HN 0.000 nan 8.370 nan 0.000 0.683