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 8cat_1_B DATA FIRST_RESID 3 DATA SEQUENCE NRDPASDQMK HWKEQRAAQK PDVLTTGGGN PVGDKLNSLT VGPRGPLLVQ DATA SEQUENCE DVVFTDEMAH FDRERIPERV VHAKGAGAFG YFEVTHDITR YSKAKVFEHI DATA SEQUENCE GKRTPIAVRF STVAGESGSA DTVRDPRGFA VKFYTEDGNW DLVGNNTPIF DATA SEQUENCE FIRDALLFPS FIHSQKRNPQ THLKDPDMVW DFWSLRPESL HQVSFLFSDR DATA SEQUENCE GIPDGHRHMD GYGSHTFKLV NADGEAVYCK FHYKTDQGIK NLSVEDAARL DATA SEQUENCE AHEDPDYGLR DLFNAIATGN YPSWTLYIQV MTFSEAEIFP FNPFDLTKVW DATA SEQUENCE PHGDYPLIPV GKLVLNRNPV NYFAEVEQLA FDPSNMPPGI EPSPDKMLQG DATA SEQUENCE RLFAYPDTHR HRLGPNYLQI PVNCPYRARV ANYQRDGPMC MMDNQGGAPN DATA SEQUENCE YYPNSFSAPE HQPSALEHRT HFSGDVQRFN SANDDNVTQV RTFYLKVLNE DATA SEQUENCE EQRKRLCENI AGHLKDAQLF IQKKAVKNFS DVHPEYGSRI QALLDKYN 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.534 175.510 0.039 0.000 1.280 3 N CA 0.000 53.076 53.050 0.044 0.000 0.885 3 N CB 0.000 38.524 38.487 0.062 0.000 1.341 4 R N 0.416 120.943 120.500 0.044 0.000 2.922 4 R HA 0.456 4.787 4.340 -0.014 0.000 0.256 4 R C -1.295 175.035 176.300 0.050 0.000 1.138 4 R CA -0.880 55.242 56.100 0.037 0.000 0.995 4 R CB 0.279 30.592 30.300 0.021 0.000 1.226 4 R HN 0.530 nan 8.270 nan 0.000 0.481 5 D N 0.605 121.031 120.400 0.044 0.000 2.423 5 D HA -0.005 4.626 4.640 -0.014 0.000 0.238 5 D C -1.685 174.659 176.300 0.075 0.000 1.142 5 D CA -1.162 52.874 54.000 0.060 0.000 0.884 5 D CB 0.680 41.508 40.800 0.046 0.000 1.199 5 D HN 0.156 nan 8.370 nan 0.000 0.438 6 P HA -0.109 nan 4.420 nan 0.000 0.218 6 P C 1.387 178.774 177.300 0.145 0.000 1.149 6 P CA 2.096 65.300 63.100 0.174 0.000 0.817 6 P CB -0.040 31.812 31.700 0.254 0.000 0.785 7 A N -0.098 122.802 122.820 0.135 0.000 1.869 7 A HA -0.283 4.028 4.320 -0.014 0.000 0.218 7 A C 2.432 179.933 177.584 -0.139 0.000 1.203 7 A CA 2.719 54.687 52.037 -0.116 0.000 0.638 7 A CB -1.769 17.160 19.000 -0.119 0.000 0.831 7 A HN 0.161 nan 8.150 nan 0.000 0.450 8 S N -0.315 115.338 115.700 -0.079 0.000 2.419 8 S HA -0.128 4.333 4.470 -0.014 0.000 0.235 8 S C 0.901 175.436 174.600 -0.108 0.000 1.019 8 S CA 1.432 59.586 58.200 -0.077 0.000 0.982 8 S CB -0.337 62.842 63.200 -0.035 0.000 0.789 8 S HN 0.581 nan 8.310 nan 0.000 0.490 9 D N 0.466 120.764 120.400 -0.171 0.000 2.358 9 D HA 0.080 4.711 4.640 -0.014 0.000 0.224 9 D C 1.639 177.628 176.300 -0.519 0.000 1.123 9 D CA -0.036 53.751 54.000 -0.355 0.000 0.833 9 D CB -0.078 40.465 40.800 -0.427 0.000 0.946 9 D HN 0.304 nan 8.370 nan 0.000 0.505 10 Q N 0.372 120.024 119.800 -0.246 0.000 2.002 10 Q HA -0.166 4.165 4.340 -0.014 0.000 0.204 10 Q C 1.793 177.815 176.000 0.036 0.000 0.988 10 Q CA 1.278 57.027 55.803 -0.089 0.000 0.843 10 Q CB 0.015 28.716 28.738 -0.062 0.000 0.908 10 Q HN 0.317 nan 8.270 nan 0.000 0.420 11 M N 0.337 119.948 119.600 0.018 0.000 2.213 11 M HA -0.153 4.318 4.480 -0.014 0.000 0.263 11 M C 2.265 178.674 176.300 0.182 0.000 1.062 11 M CA 1.401 56.769 55.300 0.113 0.000 1.105 11 M CB -0.257 32.366 32.600 0.038 0.000 1.385 11 M HN 0.065 nan 8.290 nan 0.000 0.417 12 K N -0.343 120.102 120.400 0.075 0.000 2.147 12 K HA -0.197 4.115 4.320 -0.014 0.000 0.205 12 K C 1.549 178.341 176.600 0.320 0.000 1.049 12 K CA 1.368 57.736 56.287 0.135 0.000 0.936 12 K CB 0.062 32.606 32.500 0.073 0.000 0.722 12 K HN 0.412 nan 8.250 nan 0.000 0.446 13 H N -1.834 117.316 119.070 0.134 0.000 2.451 13 H HA -0.035 4.513 4.556 -0.014 0.000 0.294 13 H C 1.305 176.688 175.328 0.091 0.000 1.028 13 H CA 0.684 56.795 56.048 0.105 0.000 1.349 13 H CB -0.735 29.097 29.762 0.116 0.000 1.444 13 H HN 0.344 nan 8.280 nan 0.000 0.538 14 W N 2.978 124.377 121.300 0.165 0.000 2.341 14 W HA -0.181 4.471 4.660 -0.013 0.000 0.283 14 W C 2.364 178.928 176.519 0.074 0.000 1.215 14 W CA 2.331 59.736 57.345 0.101 0.000 1.211 14 W CB 0.205 29.705 29.460 0.066 0.000 1.131 14 W HN 0.130 nan 8.180 nan 0.000 0.552 15 K N 0.068 120.555 120.400 0.145 0.000 2.172 15 K HA -0.082 4.229 4.320 -0.014 0.000 0.203 15 K C 1.893 178.466 176.600 -0.044 0.000 1.040 15 K CA 1.133 57.452 56.287 0.054 0.000 0.974 15 K CB -0.610 32.026 32.500 0.226 0.000 0.857 15 K HN 0.008 nan 8.250 nan 0.000 0.464 16 E N 0.855 121.072 120.200 0.029 0.000 2.233 16 E HA -0.256 4.086 4.350 -0.014 0.000 0.199 16 E C 1.830 178.386 176.600 -0.074 0.000 1.004 16 E CA 1.330 57.728 56.400 -0.004 0.000 0.819 16 E CB 0.122 29.837 29.700 0.026 0.000 0.738 16 E HN 0.365 nan 8.360 nan 0.000 0.478 17 Q N 0.626 120.346 119.800 -0.134 0.000 2.444 17 Q HA -0.072 4.259 4.340 -0.014 0.000 0.206 17 Q C -0.502 175.346 176.000 -0.253 0.000 0.948 17 Q CA 0.176 55.863 55.803 -0.193 0.000 0.946 17 Q CB 0.240 28.838 28.738 -0.233 0.000 1.027 17 Q HN 0.103 nan 8.270 nan 0.000 0.513 18 R N -1.563 118.781 120.500 -0.261 0.000 2.545 18 R HA 0.566 4.898 4.340 -0.014 0.000 0.289 18 R C -0.211 176.013 176.300 -0.127 0.000 1.327 18 R CA 0.022 55.981 56.100 -0.234 0.000 1.040 18 R CB 0.948 31.042 30.300 -0.344 0.000 1.176 18 R HN -0.031 nan 8.270 nan 0.000 0.518 19 A N 2.340 125.106 122.820 -0.091 0.000 2.140 19 A HA 0.361 4.673 4.320 -0.014 0.000 0.209 19 A C 1.327 178.885 177.584 -0.043 0.000 1.181 19 A CA 0.415 52.420 52.037 -0.053 0.000 0.824 19 A CB 0.335 19.308 19.000 -0.045 0.000 0.879 19 A HN 0.708 nan 8.150 nan 0.000 0.480 20 A N 0.366 123.153 122.820 -0.056 0.000 3.033 20 A HA 0.407 4.718 4.320 -0.014 0.000 0.250 20 A C 0.771 178.330 177.584 -0.042 0.000 1.633 20 A CA -0.100 51.911 52.037 -0.044 0.000 1.290 20 A CB -0.668 18.304 19.000 -0.047 0.000 1.048 20 A HN 0.644 nan 8.150 nan 0.000 0.648 21 Q N 0.415 120.196 119.800 -0.032 0.000 2.972 21 Q HA 0.379 4.711 4.340 -0.014 0.000 0.228 21 Q C -0.314 175.687 176.000 0.002 0.000 1.152 21 Q CA -0.295 55.498 55.803 -0.017 0.000 0.505 21 Q CB 0.149 28.884 28.738 -0.006 0.000 5.275 21 Q HN 0.330 nan 8.270 nan 0.000 0.346 22 K N 0.458 120.868 120.400 0.016 0.000 5.905 22 K HA -0.079 4.233 4.320 -0.014 0.000 0.743 22 K C -2.755 173.865 176.600 0.033 0.000 1.570 22 K CA 0.060 56.359 56.287 0.020 0.000 1.628 22 K CB -1.201 31.305 32.500 0.011 0.000 2.100 22 K HN 0.279 nan 8.250 nan 0.000 0.325 23 P HA 0.054 nan 4.420 nan 0.000 0.267 23 P C -0.312 177.020 177.300 0.054 0.000 1.200 23 P CA -0.060 63.082 63.100 0.070 0.000 0.772 23 P CB 0.491 32.235 31.700 0.074 0.000 0.855 24 D N 0.441 120.880 120.400 0.066 0.000 2.361 24 D HA 0.036 4.667 4.640 -0.014 0.000 0.239 24 D C 0.083 176.403 176.300 0.032 0.000 1.200 24 D CA -0.043 53.985 54.000 0.046 0.000 0.915 24 D CB 0.515 41.346 40.800 0.050 0.000 1.170 24 D HN 0.007 nan 8.370 nan 0.000 0.444 25 V N 1.850 121.776 119.914 0.021 0.000 2.508 25 V HA -0.040 4.071 4.120 -0.014 0.000 0.281 25 V C 0.426 176.525 176.094 0.007 0.000 1.041 25 V CA -0.506 61.802 62.300 0.013 0.000 1.016 25 V CB 1.011 32.840 31.823 0.009 0.000 0.984 25 V HN 0.288 nan 8.190 nan 0.000 0.478 26 L N 7.378 128.603 121.223 0.002 0.000 2.418 26 L HA 0.446 4.777 4.340 -0.014 0.000 0.274 26 L C 0.531 177.395 176.870 -0.009 0.000 1.135 26 L CA 0.869 55.705 54.840 -0.007 0.000 0.870 26 L CB 0.621 42.675 42.059 -0.009 0.000 1.154 26 L HN 0.961 nan 8.230 nan 0.000 0.462 27 T N 0.621 115.165 114.554 -0.016 0.000 2.888 27 T HA 0.732 5.073 4.350 -0.014 0.000 0.288 27 T C 0.322 175.008 174.700 -0.024 0.000 1.063 27 T CA -0.072 62.019 62.100 -0.015 0.000 1.010 27 T CB 1.266 70.126 68.868 -0.012 0.000 1.214 27 T HN 0.724 nan 8.240 nan 0.000 0.533 28 T N -2.025 112.517 114.554 -0.019 0.000 2.833 28 T HA 0.496 4.837 4.350 -0.014 0.000 0.292 28 T C 1.648 176.329 174.700 -0.032 0.000 1.031 28 T CA 0.007 62.093 62.100 -0.024 0.000 0.937 28 T CB 0.093 68.954 68.868 -0.011 0.000 1.256 28 T HN 0.973 nan 8.240 nan 0.000 0.551 29 G N -1.218 107.562 108.800 -0.033 0.000 2.813 29 G HA2 0.273 4.224 3.960 -0.014 0.000 0.209 29 G HA3 0.273 4.224 3.960 -0.014 0.000 0.209 29 G C 1.261 176.150 174.900 -0.019 0.000 1.150 29 G CA 0.238 45.316 45.100 -0.037 0.000 0.785 29 G HN 0.978 nan 8.290 nan 0.000 0.535 30 G N -0.510 108.283 108.800 -0.012 0.000 2.838 30 G HA2 0.369 4.321 3.960 -0.014 0.000 0.210 30 G HA3 0.369 4.321 3.960 -0.014 0.000 0.210 30 G C 1.171 176.067 174.900 -0.006 0.000 1.153 30 G CA 0.454 45.551 45.100 -0.005 0.000 0.778 30 G HN 1.270 nan 8.290 nan 0.000 0.539 31 G N -0.362 108.432 108.800 -0.010 0.000 2.132 31 G HA2 -0.239 3.712 3.960 -0.014 0.000 0.228 31 G HA3 -0.239 3.712 3.960 -0.014 0.000 0.228 31 G C -0.115 174.781 174.900 -0.005 0.000 1.000 31 G CA -0.057 45.038 45.100 -0.008 0.000 0.693 31 G HN 0.596 nan 8.290 nan 0.000 0.515 32 N N 1.880 120.577 118.700 -0.005 0.000 2.438 32 N HA 0.558 5.289 4.740 -0.014 0.000 0.282 32 N C -2.517 172.992 175.510 -0.002 0.000 1.037 32 N CA -1.605 51.444 53.050 -0.001 0.000 0.942 32 N CB 1.948 40.436 38.487 0.001 0.000 1.136 32 N HN 0.088 nan 8.380 nan 0.000 0.481 33 P HA 0.064 nan 4.420 nan 0.000 0.275 33 P C -0.673 176.628 177.300 0.002 0.000 1.227 33 P CA -0.187 62.913 63.100 0.000 0.000 0.781 33 P CB 0.926 32.627 31.700 0.002 0.000 0.906 34 V N 2.824 122.739 119.914 0.001 0.000 2.481 34 V HA 0.407 4.518 4.120 -0.014 0.000 0.286 34 V C 1.557 177.653 176.094 0.003 0.000 1.042 34 V CA 0.453 62.755 62.300 0.003 0.000 0.928 34 V CB 1.052 32.875 31.823 0.000 0.000 0.986 34 V HN 0.822 nan 8.190 nan 0.000 0.462 35 G N 2.323 111.126 108.800 0.005 0.000 2.576 35 G HA2 0.077 4.029 3.960 -0.014 0.000 0.210 35 G HA3 0.077 4.029 3.960 -0.014 0.000 0.210 35 G C 0.095 174.997 174.900 0.004 0.000 1.143 35 G CA 0.317 45.420 45.100 0.004 0.000 0.819 35 G HN 0.616 nan 8.290 nan 0.000 0.534 36 D N -0.958 119.445 120.400 0.006 0.000 2.890 36 D HA 0.280 4.912 4.640 -0.014 0.000 0.233 36 D C -0.299 176.006 176.300 0.008 0.000 1.306 36 D CA -0.481 53.521 54.000 0.004 0.000 0.929 36 D CB 1.780 42.582 40.800 0.003 0.000 1.512 36 D HN -0.054 nan 8.370 nan 0.000 0.568 37 K N 3.131 123.534 120.400 0.004 0.000 2.413 37 K HA 0.267 4.579 4.320 -0.014 0.000 0.204 37 K C 0.889 177.491 176.600 0.003 0.000 1.041 37 K CA -0.061 56.230 56.287 0.006 0.000 1.082 37 K CB 0.637 33.134 32.500 -0.005 0.000 0.871 37 K HN 0.410 nan 8.250 nan 0.000 0.535 38 L N 0.049 121.272 121.223 0.000 0.000 2.693 38 L HA 0.200 4.531 4.340 -0.014 0.000 0.235 38 L C -0.692 176.175 176.870 -0.005 0.000 1.127 38 L CA 0.120 54.957 54.840 -0.005 0.000 0.914 38 L CB 0.348 42.402 42.059 -0.009 0.000 1.193 38 L HN -0.001 nan 8.230 nan 0.000 0.502 39 N N -1.159 117.540 118.700 -0.001 0.000 2.454 39 N HA 0.286 5.017 4.740 -0.014 0.000 0.291 39 N C -0.744 174.761 175.510 -0.010 0.000 1.079 39 N CA -0.290 52.753 53.050 -0.010 0.000 0.893 39 N CB 1.855 40.335 38.487 -0.013 0.000 1.512 39 N HN -0.123 nan 8.380 nan 0.000 0.497 40 S N 0.935 116.614 115.700 -0.035 0.000 2.634 40 S HA 0.325 4.786 4.470 -0.014 0.000 0.261 40 S C -0.201 174.372 174.600 -0.046 0.000 1.271 40 S CA -0.711 57.459 58.200 -0.049 0.000 0.985 40 S CB 0.675 63.779 63.200 -0.159 0.000 0.968 40 S HN 0.447 nan 8.310 nan 0.000 0.568 41 L N 2.295 123.494 121.223 -0.040 0.000 2.265 41 L HA 0.514 4.845 4.340 -0.014 0.000 0.288 41 L C 0.129 176.973 176.870 -0.043 0.000 1.058 41 L CA 0.472 55.295 54.840 -0.028 0.000 0.809 41 L CB 0.259 42.315 42.059 -0.005 0.000 1.179 41 L HN 0.967 nan 8.230 nan 0.000 0.429 42 T N 1.389 115.921 114.554 -0.037 0.000 2.865 42 T HA 0.509 4.850 4.350 -0.014 0.000 0.294 42 T C -0.614 174.069 174.700 -0.028 0.000 1.119 42 T CA -0.653 61.423 62.100 -0.041 0.000 1.007 42 T CB 1.392 70.229 68.868 -0.052 0.000 1.225 42 T HN 0.503 nan 8.240 nan 0.000 0.515 43 V N 1.408 121.306 119.914 -0.027 0.000 2.334 43 V HA 0.654 4.765 4.120 -0.014 0.000 0.267 43 V C 0.625 176.707 176.094 -0.020 0.000 1.040 43 V CA 1.133 63.422 62.300 -0.020 0.000 0.866 43 V CB -0.522 31.291 31.823 -0.017 0.000 1.019 43 V HN 1.950 nan 8.190 nan 0.000 0.468 44 G N 7.332 116.122 108.800 -0.017 0.000 2.785 44 G HA2 -0.130 3.821 3.960 -0.014 0.000 0.685 44 G HA3 -0.130 3.821 3.960 -0.014 0.000 0.685 44 G C -1.651 173.237 174.900 -0.021 0.000 1.480 44 G CA -0.166 44.924 45.100 -0.017 0.000 0.915 44 G HN 0.669 nan 8.290 nan 0.000 0.576 45 P HA -0.002 nan 4.420 nan 0.000 0.230 45 P C 0.967 178.252 177.300 -0.024 0.000 1.158 45 P CA 1.050 64.137 63.100 -0.021 0.000 0.769 45 P CB 0.180 31.869 31.700 -0.017 0.000 0.807 46 R N -0.460 120.026 120.500 -0.023 0.000 2.690 46 R HA 0.373 4.704 4.340 -0.014 0.000 0.419 46 R C 0.844 177.129 176.300 -0.026 0.000 1.090 46 R CA -0.246 55.839 56.100 -0.025 0.000 1.064 46 R CB 1.066 31.354 30.300 -0.021 0.000 1.391 46 R HN 0.095 nan 8.270 nan 0.000 0.586 47 G N 1.699 110.482 108.800 -0.028 0.000 2.552 47 G HA2 0.427 4.378 3.960 -0.014 0.000 0.318 47 G HA3 0.427 4.378 3.960 -0.014 0.000 0.318 47 G C -2.300 172.577 174.900 -0.039 0.000 1.240 47 G CA -1.109 43.974 45.100 -0.029 0.000 1.002 47 G HN -0.104 nan 8.290 nan 0.000 0.493 48 P HA 0.165 nan 4.420 nan 0.000 0.272 48 P C -0.697 176.567 177.300 -0.059 0.000 1.240 48 P CA -0.470 62.602 63.100 -0.047 0.000 0.791 48 P CB 1.291 32.970 31.700 -0.035 0.000 0.978 49 L N 2.729 123.903 121.223 -0.083 0.000 2.315 49 L HA 0.218 4.550 4.340 -0.014 0.000 0.283 49 L C -0.052 176.776 176.870 -0.070 0.000 1.089 49 L CA -0.319 54.455 54.840 -0.109 0.000 0.833 49 L CB -0.818 41.119 42.059 -0.204 0.000 1.170 49 L HN 0.231 nan 8.230 nan 0.000 0.442 50 L N 5.397 126.591 121.223 -0.049 0.000 2.483 50 L HA 0.030 4.362 4.340 -0.014 0.000 0.276 50 L C 1.289 178.162 176.870 0.004 0.000 1.213 50 L CA -0.158 54.672 54.840 -0.017 0.000 0.843 50 L CB 0.871 42.924 42.059 -0.011 0.000 1.107 50 L HN 0.516 nan 8.230 nan 0.000 0.487 51 V N 2.219 122.145 119.914 0.020 0.000 3.306 51 V HA -0.123 3.988 4.120 -0.014 0.000 0.264 51 V C 1.985 178.111 176.094 0.053 0.000 1.149 51 V CA 1.203 63.530 62.300 0.044 0.000 1.143 51 V CB -0.073 31.771 31.823 0.036 0.000 0.767 51 V HN 0.804 nan 8.190 nan 0.000 0.476 52 Q N -0.782 119.042 119.800 0.039 0.000 2.297 52 Q HA -0.116 4.215 4.340 -0.014 0.000 0.204 52 Q C 1.052 177.079 176.000 0.046 0.000 0.962 52 Q CA 0.622 56.446 55.803 0.034 0.000 0.879 52 Q CB 0.005 28.755 28.738 0.020 0.000 0.947 52 Q HN 0.459 nan 8.270 nan 0.000 0.462 53 D N 1.116 121.553 120.400 0.061 0.000 2.826 53 D HA -0.049 4.582 4.640 -0.014 0.000 0.229 53 D C 0.582 176.958 176.300 0.128 0.000 1.091 53 D CA -0.041 54.013 54.000 0.090 0.000 1.061 53 D CB 0.059 40.917 40.800 0.098 0.000 1.155 53 D HN 0.060 nan 8.370 nan 0.000 0.450 54 V N -0.009 119.953 119.914 0.079 0.000 3.488 54 V HA -0.025 4.086 4.120 -0.014 0.000 0.286 54 V C 1.212 177.335 176.094 0.049 0.000 1.206 54 V CA 0.222 62.559 62.300 0.061 0.000 1.238 54 V CB -0.442 31.403 31.823 0.037 0.000 1.004 54 V HN 0.153 nan 8.190 nan 0.000 0.445 55 V N -0.883 119.072 119.914 0.069 0.000 3.359 55 V HA 0.162 4.274 4.120 -0.014 0.000 0.245 55 V C 1.660 177.778 176.094 0.040 0.000 1.247 55 V CA 1.053 63.381 62.300 0.046 0.000 1.145 55 V CB 0.407 32.261 31.823 0.053 0.000 0.906 55 V HN 0.589 nan 8.190 nan 0.000 0.464 56 F N 1.559 121.507 119.950 -0.003 0.000 2.128 56 F HA -0.135 4.386 4.527 -0.011 0.000 0.295 56 F C 2.479 178.284 175.800 0.009 0.000 1.100 56 F CA 2.440 60.437 58.000 -0.005 0.000 1.260 56 F CB -0.481 38.515 39.000 -0.006 0.000 1.009 56 F HN 0.165 nan 8.300 nan 0.000 0.476 57 T N -1.585 112.830 114.554 -0.232 0.000 3.014 57 T HA -0.087 4.254 4.350 -0.014 0.000 0.263 57 T C 1.664 176.254 174.700 -0.184 0.000 1.078 57 T CA 1.462 63.402 62.100 -0.267 0.000 1.135 57 T CB -0.623 68.240 68.868 -0.009 0.000 0.895 57 T HN 0.449 nan 8.240 nan 0.000 0.480 58 D N 0.713 121.048 120.400 -0.108 0.000 2.078 58 D HA -0.132 4.499 4.640 -0.014 0.000 0.193 58 D C 2.120 178.385 176.300 -0.060 0.000 0.990 58 D CA 1.518 55.485 54.000 -0.055 0.000 0.827 58 D CB -0.273 40.509 40.800 -0.029 0.000 0.975 58 D HN 0.589 nan 8.370 nan 0.000 0.451 59 E N -1.194 118.942 120.200 -0.107 0.000 2.107 59 E HA -0.173 4.168 4.350 -0.014 0.000 0.191 59 E C 1.935 178.483 176.600 -0.086 0.000 0.982 59 E CA 0.633 56.983 56.400 -0.083 0.000 0.809 59 E CB -0.054 29.587 29.700 -0.100 0.000 0.756 59 E HN 0.245 nan 8.360 nan 0.000 0.459 60 M N 0.750 120.195 119.600 -0.258 0.000 2.156 60 M HA 0.031 4.502 4.480 -0.014 0.000 0.264 60 M C 2.038 178.307 176.300 -0.052 0.000 1.067 60 M CA 1.610 56.777 55.300 -0.222 0.000 1.131 60 M CB -0.490 31.712 32.600 -0.663 0.000 1.368 60 M HN 0.146 nan 8.290 nan 0.000 0.416 61 A N -1.097 121.662 122.820 -0.103 0.000 1.940 61 A HA -0.249 4.062 4.320 -0.014 0.000 0.219 61 A C 2.339 179.904 177.584 -0.032 0.000 1.176 61 A CA 2.039 54.042 52.037 -0.057 0.000 0.631 61 A CB -1.269 17.701 19.000 -0.049 0.000 0.814 61 A HN 0.725 nan 8.150 nan 0.000 0.446 62 H N -2.175 116.876 119.070 -0.033 0.000 2.363 62 H HA -0.098 4.454 4.556 -0.006 0.000 0.301 62 H C 1.936 177.277 175.328 0.021 0.000 1.074 62 H CA 1.724 57.762 56.048 -0.017 0.000 1.354 62 H CB -0.284 29.465 29.762 -0.021 0.000 1.397 62 H HN 0.466 nan 8.280 nan 0.000 0.516 63 F N 2.507 122.438 119.950 -0.032 0.000 2.025 63 F HA -0.244 4.279 4.527 -0.008 0.000 0.297 63 F C 1.831 177.557 175.800 -0.123 0.000 1.132 63 F CA 1.925 59.886 58.000 -0.065 0.000 1.191 63 F CB -0.697 38.267 39.000 -0.060 0.000 0.963 63 F HN 0.079 nan 8.300 nan 0.000 0.481 64 D N 0.168 120.469 120.400 -0.165 0.000 2.411 64 D HA -0.110 4.522 4.640 -0.014 0.000 0.226 64 D C 1.367 177.506 176.300 -0.268 0.000 0.988 64 D CA 0.856 54.695 54.000 -0.268 0.000 0.938 64 D CB -0.249 40.491 40.800 -0.100 0.000 0.883 64 D HN 0.457 nan 8.370 nan 0.000 0.525 65 R N -0.690 119.627 120.500 -0.305 0.000 2.549 65 R HA 0.161 4.492 4.340 -0.014 0.000 0.399 65 R C 1.093 177.188 176.300 -0.342 0.000 0.964 65 R CA -0.152 55.767 56.100 -0.302 0.000 1.173 65 R CB 0.679 30.799 30.300 -0.302 0.000 1.535 65 R HN 0.072 nan 8.270 nan 0.000 0.551 66 E N 0.775 120.769 120.200 -0.344 0.000 2.150 66 E HA -0.058 4.284 4.350 -0.014 0.000 0.193 66 E C 0.179 176.608 176.600 -0.285 0.000 0.985 66 E CA 0.846 57.053 56.400 -0.321 0.000 0.814 66 E CB 0.263 29.800 29.700 -0.271 0.000 0.752 66 E HN -0.025 nan 8.360 nan 0.000 0.466 67 R N 1.180 121.566 120.500 -0.189 0.000 2.265 67 R HA 0.305 4.636 4.340 -0.014 0.000 0.314 67 R C 0.248 176.538 176.300 -0.017 0.000 1.053 67 R CA -0.324 55.730 56.100 -0.077 0.000 0.931 67 R CB 0.001 30.250 30.300 -0.085 0.000 1.024 67 R HN 0.158 nan 8.270 nan 0.000 0.457 68 I N -0.125 120.496 120.570 0.085 0.000 2.947 68 I HA 0.654 4.815 4.170 -0.014 0.000 0.314 68 I C -1.942 174.202 176.117 0.044 0.000 1.028 68 I CA -2.813 58.526 61.300 0.066 0.000 1.077 68 I CB 1.096 39.181 38.000 0.142 0.000 1.274 68 I HN 0.252 nan 8.210 nan 0.000 0.485 69 P HA 0.128 nan 4.420 nan 0.000 0.269 69 P C -1.012 176.327 177.300 0.064 0.000 1.209 69 P CA -0.179 62.943 63.100 0.035 0.000 0.776 69 P CB 0.386 32.109 31.700 0.039 0.000 0.876 70 E N 1.948 122.193 120.200 0.075 0.000 2.342 70 E HA 0.246 4.587 4.350 -0.014 0.000 0.257 70 E C -0.464 176.183 176.600 0.079 0.000 1.150 70 E CA -0.905 55.545 56.400 0.084 0.000 0.926 70 E CB 0.600 30.351 29.700 0.083 0.000 1.074 70 E HN 0.246 nan 8.360 nan 0.000 0.449 71 R N 0.822 121.372 120.500 0.083 0.000 2.522 71 R HA -0.004 4.327 4.340 -0.014 0.000 0.284 71 R C 0.920 177.258 176.300 0.064 0.000 1.032 71 R CA -0.166 55.980 56.100 0.078 0.000 1.049 71 R CB 0.708 31.074 30.300 0.111 0.000 0.956 71 R HN 0.497 nan 8.270 nan 0.000 0.422 72 V N 3.691 123.627 119.914 0.037 0.000 2.688 72 V HA -0.129 3.982 4.120 -0.014 0.000 0.256 72 V C 0.470 176.575 176.094 0.017 0.000 1.084 72 V CA 1.556 63.865 62.300 0.015 0.000 1.103 72 V CB 0.139 31.954 31.823 -0.015 0.000 0.688 72 V HN 0.576 nan 8.190 nan 0.000 0.480 73 V N -4.079 115.876 119.914 0.068 0.000 2.969 73 V HA 0.566 4.678 4.120 -0.014 0.000 0.304 73 V C -0.057 176.156 176.094 0.198 0.000 1.192 73 V CA -0.821 61.531 62.300 0.087 0.000 0.962 73 V CB 1.500 33.419 31.823 0.160 0.000 1.045 73 V HN 0.375 nan 8.190 nan 0.000 0.428 74 H N 1.021 120.138 119.070 0.079 0.000 2.941 74 H HA -0.206 4.341 4.556 -0.016 0.000 0.279 74 H C 1.528 176.909 175.328 0.087 0.000 1.247 74 H CA 0.857 56.961 56.048 0.093 0.000 1.129 74 H CB -1.183 28.635 29.762 0.094 0.000 1.313 74 H HN 1.276 nan 8.280 nan 0.000 0.384 75 A N 0.554 123.474 122.820 0.167 0.000 1.933 75 A HA -0.110 4.201 4.320 -0.014 0.000 0.218 75 A C 1.498 179.172 177.584 0.151 0.000 1.175 75 A CA 1.729 53.846 52.037 0.134 0.000 0.628 75 A CB 0.042 19.096 19.000 0.090 0.000 0.814 75 A HN 0.262 nan 8.150 nan 0.000 0.444 76 K N -0.442 120.049 120.400 0.152 0.000 2.240 76 K HA 0.536 4.848 4.320 -0.014 0.000 0.271 76 K C -0.090 176.635 176.600 0.209 0.000 1.018 76 K CA 0.524 56.915 56.287 0.172 0.000 0.874 76 K CB 0.948 33.532 32.500 0.140 0.000 1.098 76 K HN 0.351 nan 8.250 nan 0.000 0.458 77 G N 1.291 110.246 108.800 0.257 0.000 2.548 77 G HA2 0.713 4.664 3.960 -0.014 0.000 0.301 77 G HA3 0.713 4.664 3.960 -0.014 0.000 0.301 77 G C -1.783 173.324 174.900 0.345 0.000 1.349 77 G CA -0.441 44.810 45.100 0.251 0.000 0.792 77 G HN 0.718 nan 8.290 nan 0.000 0.481 78 A N -1.497 121.466 122.820 0.238 0.000 2.498 78 A HA 1.006 5.317 4.320 -0.014 0.000 0.298 78 A C 0.063 177.693 177.584 0.077 0.000 1.075 78 A CA 0.124 52.328 52.037 0.277 0.000 0.714 78 A CB 1.825 21.069 19.000 0.406 0.000 1.299 78 A HN 2.124 nan 8.150 nan 0.000 0.407 79 G N -1.062 107.755 108.800 0.028 0.000 2.949 79 G HA2 1.022 4.974 3.960 -0.014 0.000 0.285 79 G HA3 1.022 4.974 3.960 -0.014 0.000 0.285 79 G C -0.638 174.175 174.900 -0.144 0.000 1.395 79 G CA -0.102 44.889 45.100 -0.180 0.000 0.901 79 G HN 2.346 nan 8.290 nan 0.000 0.519 80 A N -1.440 121.085 122.820 -0.492 0.000 2.555 80 A HA 0.577 4.888 4.320 -0.014 0.000 0.299 80 A C -1.950 175.201 177.584 -0.720 0.000 0.962 80 A CA -0.809 51.030 52.037 -0.330 0.000 0.646 80 A CB -0.005 18.996 19.000 0.001 0.000 1.327 80 A HN 0.932 nan 8.150 nan 0.000 0.428 81 F N 0.193 120.147 119.950 0.007 0.000 2.541 81 F HA 0.895 5.412 4.527 -0.017 0.000 0.331 81 F C 1.143 176.943 175.800 0.000 0.000 1.057 81 F CA 0.669 58.673 58.000 0.007 0.000 0.975 81 F CB 2.493 41.497 39.000 0.007 0.000 1.246 81 F HN 1.380 nan 8.300 nan 0.000 0.484 82 G N 0.265 109.178 108.800 0.189 0.000 2.392 82 G HA2 0.420 4.372 3.960 -0.014 0.000 0.260 82 G HA3 0.420 4.372 3.960 -0.014 0.000 0.260 82 G C -2.303 172.716 174.900 0.199 0.000 1.226 82 G CA -0.517 44.641 45.100 0.096 0.000 0.913 82 G HN 0.886 nan 8.290 nan 0.000 0.483 83 Y N -1.596 118.753 120.300 0.081 0.000 2.552 83 Y HA 0.795 5.336 4.550 -0.015 0.000 0.337 83 Y C -1.554 174.455 175.900 0.183 0.000 1.094 83 Y CA -2.153 56.018 58.100 0.118 0.000 1.028 83 Y CB 1.401 39.902 38.460 0.068 0.000 1.321 83 Y HN 0.897 nan 8.280 nan 0.000 0.456 84 F N 2.680 122.779 119.950 0.249 0.000 2.421 84 F HA 0.668 5.187 4.527 -0.014 0.000 0.337 84 F C -0.655 175.323 175.800 0.298 0.000 1.105 84 F CA -0.584 57.552 58.000 0.227 0.000 1.049 84 F CB 1.588 40.782 39.000 0.324 0.000 1.139 84 F HN 0.782 nan 8.300 nan 0.000 0.479 85 E N 5.584 125.360 120.200 -0.707 0.000 2.241 85 E HA 0.460 4.802 4.350 -0.014 0.000 0.263 85 E C -1.598 174.559 176.600 -0.738 0.000 0.882 85 E CA -0.889 55.238 56.400 -0.456 0.000 0.769 85 E CB 1.805 31.504 29.700 -0.001 0.000 1.185 85 E HN 0.581 nan 8.360 nan 0.000 0.415 86 V N 3.579 123.178 119.914 -0.526 0.000 2.715 86 V HA 0.131 4.242 4.120 -0.014 0.000 0.299 86 V C 1.184 177.208 176.094 -0.116 0.000 1.054 86 V CA 0.786 62.935 62.300 -0.252 0.000 1.077 86 V CB 1.012 32.800 31.823 -0.059 0.000 0.972 86 V HN 0.971 nan 8.190 nan 0.000 0.484 87 T N -0.731 113.833 114.554 0.018 0.000 3.080 87 T HA 0.298 4.640 4.350 -0.014 0.000 0.280 87 T C 0.098 174.748 174.700 -0.083 0.000 0.926 87 T CA -0.069 62.030 62.100 -0.001 0.000 0.883 87 T CB 0.022 68.927 68.868 0.061 0.000 1.194 87 T HN 0.726 nan 8.240 nan 0.000 0.541 88 H N 1.249 120.348 119.070 0.049 0.000 3.016 88 H HA 0.637 5.184 4.556 -0.014 0.000 0.362 88 H C -1.646 173.728 175.328 0.077 0.000 1.233 88 H CA -1.083 55.003 56.048 0.063 0.000 1.124 88 H CB 1.380 31.184 29.762 0.069 0.000 1.850 88 H HN 0.225 nan 8.280 nan 0.000 0.549 89 D N 1.801 122.318 120.400 0.196 0.000 2.192 89 D HA 0.203 4.834 4.640 -0.014 0.000 0.246 89 D C 0.318 176.671 176.300 0.090 0.000 1.042 89 D CA -0.745 53.330 54.000 0.126 0.000 0.847 89 D CB 1.384 42.243 40.800 0.099 0.000 1.186 89 D HN 0.707 nan 8.370 nan 0.000 0.461 90 I N 0.020 120.619 120.570 0.049 0.000 3.621 90 I HA 0.135 4.296 4.170 -0.014 0.000 0.325 90 I C 0.606 176.714 176.117 -0.013 0.000 1.554 90 I CA -0.550 60.771 61.300 0.035 0.000 1.053 90 I CB 0.182 38.171 38.000 -0.017 0.000 1.302 90 I HN 0.238 nan 8.210 nan 0.000 0.518 91 T N 0.027 114.573 114.554 -0.013 0.000 2.929 91 T HA -0.121 4.220 4.350 -0.014 0.000 0.271 91 T C 1.804 176.465 174.700 -0.065 0.000 1.085 91 T CA 1.580 63.677 62.100 -0.005 0.000 1.125 91 T CB -0.480 68.405 68.868 0.028 0.000 0.874 91 T HN 0.620 nan 8.240 nan 0.000 0.494 92 R N 0.391 120.782 120.500 -0.181 0.000 2.090 92 R HA 0.071 4.402 4.340 -0.014 0.000 0.228 92 R C 1.984 178.125 176.300 -0.265 0.000 1.110 92 R CA 1.170 57.092 56.100 -0.296 0.000 0.973 92 R CB -0.999 28.995 30.300 -0.511 0.000 0.869 92 R HN 0.462 nan 8.270 nan 0.000 0.440 93 Y N 0.315 120.582 120.300 -0.055 0.000 2.176 93 Y HA 0.121 4.662 4.550 -0.014 0.000 0.291 93 Y C 1.000 176.850 175.900 -0.083 0.000 1.122 93 Y CA 0.316 58.370 58.100 -0.075 0.000 1.128 93 Y CB 0.292 38.694 38.460 -0.096 0.000 1.005 93 Y HN 0.008 nan 8.280 nan 0.000 0.509 94 S N -0.159 115.585 115.700 0.073 0.000 2.557 94 S HA 0.219 4.680 4.470 -0.014 0.000 0.291 94 S C 0.019 174.661 174.600 0.070 0.000 1.116 94 S CA -0.953 57.274 58.200 0.045 0.000 0.992 94 S CB 0.817 64.016 63.200 -0.003 0.000 1.028 94 S HN 0.302 nan 8.310 nan 0.000 0.484 95 K N 2.433 122.866 120.400 0.055 0.000 2.504 95 K HA 0.371 4.682 4.320 -0.014 0.000 0.199 95 K C 0.490 177.126 176.600 0.061 0.000 1.028 95 K CA -0.245 56.074 56.287 0.053 0.000 1.164 95 K CB 0.073 32.588 32.500 0.025 0.000 0.877 95 K HN 0.420 nan 8.250 nan 0.000 0.508 96 A N 2.121 124.999 122.820 0.096 0.000 2.454 96 A HA 0.105 4.417 4.320 -0.014 0.000 0.260 96 A C 0.848 178.439 177.584 0.013 0.000 1.106 96 A CA -0.409 51.634 52.037 0.009 0.000 0.780 96 A CB 0.440 19.391 19.000 -0.081 0.000 1.044 96 A HN 0.294 nan 8.150 nan 0.000 0.498 97 K N 1.712 122.087 120.400 -0.041 0.000 2.052 97 K HA -0.197 4.114 4.320 -0.014 0.000 0.215 97 K C 1.747 178.310 176.600 -0.061 0.000 1.053 97 K CA 1.930 58.203 56.287 -0.025 0.000 0.934 97 K CB -0.452 32.030 32.500 -0.029 0.000 0.717 97 K HN 0.548 nan 8.250 nan 0.000 0.450 98 V N 0.705 120.496 119.914 -0.205 0.000 2.527 98 V HA -0.242 3.869 4.120 -0.014 0.000 0.255 98 V C 1.388 177.374 176.094 -0.179 0.000 1.081 98 V CA 1.824 63.957 62.300 -0.278 0.000 1.092 98 V CB -0.519 30.944 31.823 -0.600 0.000 0.673 98 V HN 0.245 nan 8.190 nan 0.000 0.470 99 F N -1.429 118.543 119.950 0.037 0.000 2.688 99 F HA 0.276 4.795 4.527 -0.014 0.000 0.310 99 F C 1.755 177.590 175.800 0.059 0.000 1.098 99 F CA 0.009 58.062 58.000 0.088 0.000 1.228 99 F CB -0.264 38.794 39.000 0.096 0.000 1.042 99 F HN 0.066 nan 8.300 nan 0.000 0.557 100 E N 1.786 122.106 120.200 0.201 0.000 2.284 100 E HA -0.222 4.119 4.350 -0.014 0.000 0.200 100 E C -0.313 176.433 176.600 0.243 0.000 1.008 100 E CA 1.381 57.894 56.400 0.189 0.000 0.829 100 E CB -0.155 29.656 29.700 0.184 0.000 0.744 100 E HN 0.699 nan 8.360 nan 0.000 0.491 101 H N -3.185 115.944 119.070 0.098 0.000 3.136 101 H HA 0.229 4.777 4.556 -0.014 0.000 0.313 101 H C -0.801 174.559 175.328 0.052 0.000 1.103 101 H CA -0.824 55.261 56.048 0.061 0.000 1.437 101 H CB -0.334 29.449 29.762 0.035 0.000 2.063 101 H HN -0.104 nan 8.280 nan 0.000 0.495 102 I N 3.034 123.650 120.570 0.077 0.000 2.845 102 I HA 0.134 4.295 4.170 -0.014 0.000 0.296 102 I C 1.597 177.686 176.117 -0.048 0.000 1.216 102 I CA 2.008 63.310 61.300 0.003 0.000 1.438 102 I CB 0.286 38.297 38.000 0.019 0.000 1.342 102 I HN 1.202 nan 8.210 nan 0.000 0.577 103 G N 4.876 113.613 108.800 -0.106 0.000 2.225 103 G HA2 -0.303 3.648 3.960 -0.014 0.000 0.254 103 G HA3 -0.303 3.648 3.960 -0.014 0.000 0.254 103 G C 0.558 175.344 174.900 -0.189 0.000 0.988 103 G CA 0.131 45.168 45.100 -0.105 0.000 0.625 103 G HN 0.653 nan 8.290 nan 0.000 0.527 104 K N 1.250 121.424 120.400 -0.376 0.000 2.511 104 K HA 0.214 4.526 4.320 -0.014 0.000 0.280 104 K C 0.472 176.965 176.600 -0.178 0.000 1.008 104 K CA 0.395 56.467 56.287 -0.359 0.000 1.050 104 K CB 0.118 32.353 32.500 -0.441 0.000 0.889 104 K HN 0.396 nan 8.250 nan 0.000 0.484 105 R N 2.654 123.097 120.500 -0.096 0.000 2.437 105 R HA 0.260 4.592 4.340 -0.014 0.000 0.310 105 R C -0.744 175.603 176.300 0.078 0.000 0.955 105 R CA -0.693 55.404 56.100 -0.005 0.000 0.851 105 R CB 2.054 32.307 30.300 -0.079 0.000 1.161 105 R HN 0.490 nan 8.270 nan 0.000 0.446 106 T N 4.503 119.180 114.554 0.206 0.000 2.829 106 T HA 0.385 4.726 4.350 -0.014 0.000 0.280 106 T C -2.455 172.430 174.700 0.308 0.000 0.999 106 T CA -1.805 60.442 62.100 0.246 0.000 0.983 106 T CB 1.918 70.990 68.868 0.339 0.000 0.968 106 T HN 0.293 nan 8.240 nan 0.000 0.446 107 P HA 0.411 nan 4.420 nan 0.000 0.271 107 P C -0.818 176.700 177.300 0.363 0.000 1.218 107 P CA -0.361 62.922 63.100 0.306 0.000 0.780 107 P CB 0.262 32.110 31.700 0.248 0.000 0.901 108 I N -1.602 119.132 120.570 0.273 0.000 2.802 108 I HA 0.854 5.016 4.170 -0.014 0.000 0.298 108 I C -1.168 174.998 176.117 0.082 0.000 1.176 108 I CA -1.365 59.966 61.300 0.053 0.000 1.025 108 I CB 2.385 40.209 38.000 -0.293 0.000 1.243 108 I HN 0.259 nan 8.210 nan 0.000 0.424 109 A N 4.533 127.337 122.820 -0.026 0.000 2.311 109 A HA 0.967 5.279 4.320 -0.014 0.000 0.334 109 A C -0.815 176.544 177.584 -0.375 0.000 1.139 109 A CA -0.731 51.150 52.037 -0.259 0.000 0.830 109 A CB 1.710 20.666 19.000 -0.073 0.000 1.234 109 A HN 0.773 nan 8.150 nan 0.000 0.483 110 V N 0.718 120.334 119.914 -0.497 0.000 2.777 110 V HA 0.562 4.674 4.120 -0.014 0.000 0.306 110 V C -0.341 175.367 176.094 -0.644 0.000 1.112 110 V CA -0.603 61.364 62.300 -0.556 0.000 0.917 110 V CB 1.813 33.253 31.823 -0.638 0.000 1.018 110 V HN 1.005 nan 8.190 nan 0.000 0.426 111 R N 2.527 122.626 120.500 -0.668 0.000 2.599 111 R HA 0.755 5.086 4.340 -0.014 0.000 0.295 111 R C -1.617 174.145 176.300 -0.897 0.000 0.963 111 R CA -0.478 55.287 56.100 -0.558 0.000 0.883 111 R CB 1.535 31.728 30.300 -0.179 0.000 1.171 111 R HN 0.561 nan 8.270 nan 0.000 0.450 112 F N 1.270 120.971 119.950 -0.414 0.000 2.440 112 F HA 0.563 5.082 4.527 -0.013 0.000 0.328 112 F C 0.398 176.037 175.800 -0.268 0.000 1.070 112 F CA -0.084 57.592 58.000 -0.539 0.000 1.011 112 F CB 2.112 40.313 39.000 -1.331 0.000 1.226 112 F HN 0.634 nan 8.300 nan 0.000 0.491 113 S N -1.269 114.487 115.700 0.093 0.000 2.611 113 S HA 0.576 5.037 4.470 -0.014 0.000 0.270 113 S C -0.676 174.092 174.600 0.281 0.000 1.131 113 S CA -0.739 57.590 58.200 0.216 0.000 0.826 113 S CB 1.219 64.580 63.200 0.269 0.000 1.095 113 S HN 0.785 nan 8.310 nan 0.000 0.461 114 T N -1.522 113.165 114.554 0.222 0.000 2.906 114 T HA 0.728 5.069 4.350 -0.014 0.000 0.283 114 T C 0.815 175.507 174.700 -0.014 0.000 1.098 114 T CA 0.079 62.270 62.100 0.151 0.000 0.960 114 T CB 0.217 69.169 68.868 0.139 0.000 1.776 114 T HN 0.811 nan 8.240 nan 0.000 0.594 115 V N -0.478 119.374 119.914 -0.104 0.000 3.090 115 V HA 0.411 4.523 4.120 -0.014 0.000 0.237 115 V C 2.536 178.525 176.094 -0.176 0.000 1.209 115 V CA 0.650 62.754 62.300 -0.327 0.000 1.209 115 V CB -0.430 31.273 31.823 -0.199 0.000 0.971 115 V HN 0.996 nan 8.190 nan 0.000 0.477 116 A N 0.468 123.228 122.820 -0.100 0.000 1.993 116 A HA 0.477 4.788 4.320 -0.014 0.000 0.207 116 A C 1.615 179.146 177.584 -0.089 0.000 1.224 116 A CA 0.786 52.747 52.037 -0.127 0.000 0.749 116 A CB -0.713 18.183 19.000 -0.173 0.000 0.884 116 A HN 0.534 nan 8.150 nan 0.000 0.467 117 G N 1.600 110.372 108.800 -0.046 0.000 2.391 117 G HA2 0.344 4.295 3.960 -0.014 0.000 0.234 117 G HA3 0.344 4.295 3.960 -0.014 0.000 0.234 117 G C 0.053 174.954 174.900 0.001 0.000 1.284 117 G CA -0.168 44.922 45.100 -0.018 0.000 0.873 117 G HN 0.534 nan 8.290 nan 0.000 0.549 118 E N 1.684 121.887 120.200 0.005 0.000 2.405 118 E HA 0.117 4.459 4.350 -0.014 0.000 0.253 118 E C 1.224 177.852 176.600 0.047 0.000 1.257 118 E CA -0.440 55.975 56.400 0.024 0.000 0.960 118 E CB 0.342 30.054 29.700 0.021 0.000 1.077 118 E HN 0.300 nan 8.360 nan 0.000 0.512 119 S N 0.005 115.740 115.700 0.058 0.000 2.442 119 S HA -0.077 4.384 4.470 -0.014 0.000 0.236 119 S C 1.460 176.094 174.600 0.056 0.000 1.007 119 S CA 1.174 59.416 58.200 0.070 0.000 0.965 119 S CB -0.205 63.039 63.200 0.075 0.000 0.773 119 S HN 0.718 nan 8.310 nan 0.000 0.504 120 G N 1.273 110.100 108.800 0.044 0.000 3.337 120 G HA2 0.238 4.190 3.960 -0.014 0.000 0.246 120 G HA3 0.238 4.190 3.960 -0.014 0.000 0.246 120 G C 0.424 175.349 174.900 0.042 0.000 1.131 120 G CA 0.047 45.170 45.100 0.037 0.000 0.773 120 G HN 0.523 nan 8.290 nan 0.000 0.544 121 S N 0.049 115.777 115.700 0.046 0.000 2.617 121 S HA 0.627 5.089 4.470 -0.014 0.000 0.255 121 S C 0.522 175.157 174.600 0.059 0.000 1.318 121 S CA 0.120 58.348 58.200 0.046 0.000 0.978 121 S CB 1.291 64.514 63.200 0.039 0.000 0.961 121 S HN 0.683 nan 8.310 nan 0.000 0.582 122 A N 0.156 123.010 122.820 0.057 0.000 2.304 122 A HA 0.477 4.789 4.320 -0.014 0.000 0.301 122 A C 0.572 178.204 177.584 0.080 0.000 1.132 122 A CA -0.634 51.442 52.037 0.065 0.000 0.819 122 A CB 0.201 19.233 19.000 0.053 0.000 1.094 122 A HN 0.856 nan 8.150 nan 0.000 0.492 123 D N 0.593 121.051 120.400 0.098 0.000 2.123 123 D HA -0.056 4.575 4.640 -0.014 0.000 0.200 123 D C 1.260 177.626 176.300 0.109 0.000 0.976 123 D CA 2.219 56.297 54.000 0.129 0.000 0.831 123 D CB -0.092 40.804 40.800 0.159 0.000 0.974 123 D HN 0.631 nan 8.370 nan 0.000 0.469 124 T N -0.013 114.581 114.554 0.066 0.000 3.783 124 T HA 0.386 4.727 4.350 -0.014 0.000 0.262 124 T C 0.396 175.110 174.700 0.024 0.000 1.381 124 T CA -0.652 61.461 62.100 0.022 0.000 1.155 124 T CB -0.615 68.196 68.868 -0.095 0.000 1.256 124 T HN -0.050 nan 8.240 nan 0.000 0.807 125 V N -0.736 119.209 119.914 0.052 0.000 2.994 125 V HA 0.681 4.793 4.120 -0.014 0.000 0.318 125 V C 0.226 176.354 176.094 0.056 0.000 1.085 125 V CA -1.919 60.412 62.300 0.052 0.000 0.998 125 V CB 1.682 33.537 31.823 0.053 0.000 1.063 125 V HN 0.664 nan 8.190 nan 0.000 0.447 126 R N 1.701 122.229 120.500 0.047 0.000 2.370 126 R HA 0.518 4.849 4.340 -0.014 0.000 0.309 126 R C -0.986 175.331 176.300 0.028 0.000 1.059 126 R CA 0.274 56.389 56.100 0.024 0.000 0.981 126 R CB 0.197 30.485 30.300 -0.020 0.000 0.972 126 R HN 1.004 nan 8.270 nan 0.000 0.437 127 D N 3.559 123.995 120.400 0.060 0.000 2.694 127 D HA 0.345 4.977 4.640 -0.014 0.000 0.260 127 D C -2.806 173.585 176.300 0.151 0.000 1.250 127 D CA -1.464 52.595 54.000 0.099 0.000 0.763 127 D CB 2.101 42.951 40.800 0.083 0.000 1.311 127 D HN 0.305 nan 8.370 nan 0.000 0.420 128 P HA 0.441 nan 4.420 nan 0.000 0.274 128 P C -0.996 176.444 177.300 0.235 0.000 1.264 128 P CA -0.234 63.016 63.100 0.250 0.000 0.795 128 P CB 0.485 32.407 31.700 0.369 0.000 1.064 129 R N -0.640 120.018 120.500 0.263 0.000 2.574 129 R HA 0.600 4.932 4.340 -0.014 0.000 0.288 129 R C -0.239 176.248 176.300 0.312 0.000 1.004 129 R CA -0.426 55.846 56.100 0.286 0.000 0.895 129 R CB 1.289 31.759 30.300 0.285 0.000 1.191 129 R HN 0.596 nan 8.270 nan 0.000 0.444 130 G N 1.587 110.594 108.800 0.346 0.000 2.432 130 G HA2 0.388 4.340 3.960 -0.014 0.000 0.257 130 G HA3 0.388 4.340 3.960 -0.014 0.000 0.257 130 G C -1.110 173.861 174.900 0.118 0.000 1.238 130 G CA 0.111 45.327 45.100 0.194 0.000 0.838 130 G HN 0.417 nan 8.290 nan 0.000 0.547 131 F N 2.587 122.398 119.950 -0.230 0.000 2.872 131 F HA 0.593 5.111 4.527 -0.015 0.000 0.363 131 F C 0.243 175.716 175.800 -0.546 0.000 1.357 131 F CA -1.870 55.901 58.000 -0.382 0.000 1.174 131 F CB 0.378 39.269 39.000 -0.181 0.000 1.860 131 F HN 0.660 nan 8.300 nan 0.000 0.615 132 A N 2.240 124.746 122.820 -0.523 0.000 2.340 132 A HA 0.748 5.060 4.320 -0.014 0.000 0.268 132 A C -0.971 176.022 177.584 -0.985 0.000 1.100 132 A CA -0.325 51.109 52.037 -1.004 0.000 0.803 132 A CB 0.877 18.674 19.000 -2.005 0.000 1.043 132 A HN 0.363 nan 8.150 nan 0.000 0.488 133 V N 2.553 121.901 119.914 -0.945 0.000 2.524 133 V HA 0.380 4.491 4.120 -0.014 0.000 0.297 133 V C -0.160 175.454 176.094 -0.800 0.000 1.035 133 V CA -0.694 61.070 62.300 -0.894 0.000 0.867 133 V CB 1.472 32.577 31.823 -1.197 0.000 1.004 133 V HN 0.951 nan 8.190 nan 0.000 0.426 134 K N 4.283 124.384 120.400 -0.499 0.000 2.235 134 K HA 0.678 4.990 4.320 -0.014 0.000 0.266 134 K C -1.616 174.527 176.600 -0.761 0.000 0.980 134 K CA -0.440 55.540 56.287 -0.512 0.000 0.849 134 K CB 0.980 33.211 32.500 -0.449 0.000 1.098 134 K HN 0.459 nan 8.250 nan 0.000 0.445 135 F N 3.714 123.331 119.950 -0.555 0.000 2.436 135 F HA 0.309 4.828 4.527 -0.014 0.000 0.340 135 F C -0.596 175.008 175.800 -0.327 0.000 1.113 135 F CA -0.704 57.084 58.000 -0.355 0.000 1.022 135 F CB 1.054 39.884 39.000 -0.283 0.000 1.128 135 F HN 0.405 nan 8.300 nan 0.000 0.466 136 Y N 1.427 121.762 120.300 0.058 0.000 2.804 136 Y HA 0.330 4.871 4.550 -0.016 0.000 0.330 136 Y C 0.773 176.624 175.900 -0.081 0.000 1.092 136 Y CA -0.950 57.099 58.100 -0.086 0.000 1.315 136 Y CB 0.509 38.779 38.460 -0.317 0.000 1.188 136 Y HN 0.614 nan 8.280 nan 0.000 0.512 137 T N -1.902 112.697 114.554 0.075 0.000 2.862 137 T HA 0.208 4.550 4.350 -0.014 0.000 0.276 137 T C 0.943 175.637 174.700 -0.009 0.000 0.974 137 T CA -0.665 61.453 62.100 0.030 0.000 0.966 137 T CB 1.180 70.051 68.868 0.004 0.000 1.072 137 T HN 0.477 nan 8.240 nan 0.000 0.538 138 E N -0.012 120.178 120.200 -0.016 0.000 2.371 138 E HA 0.112 4.454 4.350 -0.014 0.000 0.194 138 E C 0.585 177.173 176.600 -0.019 0.000 1.012 138 E CA 0.447 56.835 56.400 -0.020 0.000 0.860 138 E CB -0.036 29.659 29.700 -0.009 0.000 0.811 138 E HN 0.574 nan 8.360 nan 0.000 0.502 139 D N 0.576 120.963 120.400 -0.022 0.000 2.460 139 D HA 0.282 4.914 4.640 -0.014 0.000 0.229 139 D C 0.638 176.930 176.300 -0.015 0.000 1.170 139 D CA 0.607 54.594 54.000 -0.022 0.000 0.827 139 D CB 0.086 40.863 40.800 -0.038 0.000 0.973 139 D HN 0.158 nan 8.370 nan 0.000 0.496 140 G N 0.971 109.764 108.800 -0.011 0.000 2.725 140 G HA2 -0.255 3.697 3.960 -0.014 0.000 0.220 140 G HA3 -0.255 3.697 3.960 -0.014 0.000 0.220 140 G C -0.176 174.728 174.900 0.008 0.000 1.357 140 G CA -0.951 44.146 45.100 -0.005 0.000 0.866 140 G HN 0.216 nan 8.290 nan 0.000 0.548 141 N N -0.610 118.086 118.700 -0.006 0.000 2.482 141 N HA 0.515 5.246 4.740 -0.014 0.000 0.260 141 N C -0.532 175.020 175.510 0.070 0.000 1.236 141 N CA 0.291 53.320 53.050 -0.035 0.000 0.938 141 N CB 0.967 39.362 38.487 -0.153 0.000 1.128 141 N HN 0.781 nan 8.380 nan 0.000 0.448 142 W N 2.251 123.476 121.300 -0.124 0.000 2.687 142 W HA 0.363 5.015 4.660 -0.014 0.000 0.328 142 W C -1.705 174.794 176.519 -0.032 0.000 1.012 142 W CA -0.732 56.543 57.345 -0.116 0.000 1.262 142 W CB 0.768 30.090 29.460 -0.229 0.000 1.331 142 W HN 0.313 nan 8.180 nan 0.000 0.433 143 D N 5.676 125.891 120.400 -0.309 0.000 2.256 143 D HA 0.265 4.896 4.640 -0.014 0.000 0.240 143 D C -0.962 174.997 176.300 -0.568 0.000 1.062 143 D CA -0.433 53.322 54.000 -0.409 0.000 0.832 143 D CB 2.355 43.074 40.800 -0.135 0.000 1.135 143 D HN 0.420 nan 8.370 nan 0.000 0.484 144 L N 3.584 124.366 121.223 -0.736 0.000 2.426 144 L HA 0.198 4.529 4.340 -0.014 0.000 0.255 144 L C -0.860 175.680 176.870 -0.550 0.000 1.080 144 L CA -0.601 53.826 54.840 -0.689 0.000 0.960 144 L CB 0.878 42.370 42.059 -0.945 0.000 1.326 144 L HN 0.102 nan 8.230 nan 0.000 0.441 145 V N 4.150 123.815 119.914 -0.416 0.000 2.287 145 V HA 0.455 4.567 4.120 -0.014 0.000 0.246 145 V C 1.194 177.124 176.094 -0.272 0.000 1.165 145 V CA 0.070 62.120 62.300 -0.416 0.000 1.088 145 V CB -0.478 31.096 31.823 -0.415 0.000 1.242 145 V HN 0.713 nan 8.190 nan 0.000 0.497 146 G N 2.997 111.633 108.800 -0.274 0.000 2.557 146 G HA2 0.535 4.486 3.960 -0.014 0.000 0.302 146 G HA3 0.535 4.486 3.960 -0.014 0.000 0.302 146 G C -0.590 174.235 174.900 -0.125 0.000 1.311 146 G CA -0.560 44.453 45.100 -0.145 0.000 1.030 146 G HN 0.493 nan 8.290 nan 0.000 0.509 147 N N -1.764 116.893 118.700 -0.072 0.000 2.629 147 N HA 0.174 4.905 4.740 -0.014 0.000 0.279 147 N C 0.425 175.988 175.510 0.088 0.000 1.344 147 N CA -0.621 52.454 53.050 0.042 0.000 0.789 147 N CB 1.661 40.168 38.487 0.034 0.000 1.508 147 N HN 0.653 nan 8.380 nan 0.000 0.516 148 N N -1.957 116.867 118.700 0.207 0.000 2.314 148 N HA 0.018 4.750 4.740 -0.014 0.000 0.200 148 N C -0.356 175.427 175.510 0.454 0.000 1.135 148 N CA -0.111 53.120 53.050 0.301 0.000 0.835 148 N CB 0.520 39.187 38.487 0.300 0.000 0.989 148 N HN 0.202 nan 8.380 nan 0.000 0.478 149 T N 0.527 115.243 114.554 0.270 0.000 2.863 149 T HA 0.333 4.675 4.350 -0.014 0.000 0.285 149 T C -2.155 172.362 174.700 -0.305 0.000 1.009 149 T CA -2.252 59.845 62.100 -0.005 0.000 0.989 149 T CB 1.881 70.739 68.868 -0.017 0.000 1.004 149 T HN -0.072 nan 8.240 nan 0.000 0.455 150 P HA 0.175 nan 4.420 nan 0.000 0.240 150 P C 0.510 177.523 177.300 -0.478 0.000 1.190 150 P CA 0.269 62.938 63.100 -0.720 0.000 0.781 150 P CB 0.114 31.249 31.700 -0.943 0.000 0.931 151 I N -5.426 114.847 120.570 -0.496 0.000 3.814 151 I HA 0.681 4.842 4.170 -0.014 0.000 0.268 151 I C -0.435 175.502 176.117 -0.300 0.000 1.133 151 I CA -1.393 59.611 61.300 -0.493 0.000 1.236 151 I CB 1.003 38.520 38.000 -0.805 0.000 1.379 151 I HN -0.251 nan 8.210 nan 0.000 0.463 152 F N -1.613 118.011 119.950 -0.544 0.000 3.052 152 F HA 0.395 4.913 4.527 -0.014 0.000 0.323 152 F C -0.476 175.009 175.800 -0.525 0.000 1.178 152 F CA -0.802 56.892 58.000 -0.511 0.000 0.892 152 F CB 1.431 40.277 39.000 -0.256 0.000 1.416 152 F HN 0.339 nan 8.300 nan 0.000 0.488 153 F N 2.063 121.430 119.950 -0.971 0.000 2.407 153 F HA 0.161 4.679 4.527 -0.015 0.000 0.299 153 F C 0.401 175.951 175.800 -0.416 0.000 1.097 153 F CA 0.740 58.277 58.000 -0.772 0.000 1.422 153 F CB -0.113 38.158 39.000 -1.214 0.000 1.067 153 F HN 0.092 nan 8.300 nan 0.000 0.539 154 I N -2.639 117.905 120.570 -0.042 0.000 3.095 154 I HA 0.467 4.629 4.170 -0.014 0.000 0.310 154 I C 0.073 176.259 176.117 0.115 0.000 1.196 154 I CA -1.201 60.146 61.300 0.078 0.000 0.985 154 I CB 2.294 40.397 38.000 0.172 0.000 1.250 154 I HN -0.227 nan 8.210 nan 0.000 0.446 155 R N -0.239 120.319 120.500 0.097 0.000 2.476 155 R HA 0.365 4.697 4.340 -0.014 0.000 0.276 155 R C -0.551 175.812 176.300 0.105 0.000 0.941 155 R CA -0.313 55.841 56.100 0.091 0.000 1.088 155 R CB 0.475 30.811 30.300 0.058 0.000 1.216 155 R HN 0.599 nan 8.270 nan 0.000 0.533 156 D N 0.368 120.845 120.400 0.128 0.000 2.593 156 D HA 0.296 4.928 4.640 -0.014 0.000 0.251 156 D C 0.602 176.993 176.300 0.152 0.000 1.140 156 D CA -0.347 53.723 54.000 0.117 0.000 0.855 156 D CB 1.994 42.854 40.800 0.100 0.000 1.267 156 D HN 0.031 nan 8.370 nan 0.000 0.532 157 A N 4.123 127.015 122.820 0.120 0.000 1.986 157 A HA -0.205 4.106 4.320 -0.014 0.000 0.220 157 A C 1.945 179.648 177.584 0.199 0.000 1.171 157 A CA 0.860 52.982 52.037 0.142 0.000 0.640 157 A CB -0.357 18.681 19.000 0.063 0.000 0.811 157 A HN 0.585 nan 8.150 nan 0.000 0.451 158 L N -0.225 121.084 121.223 0.142 0.000 2.197 158 L HA -0.159 4.172 4.340 -0.014 0.000 0.215 158 L C 1.904 178.866 176.870 0.153 0.000 1.095 158 L CA 1.654 56.567 54.840 0.121 0.000 0.764 158 L CB -0.662 41.445 42.059 0.080 0.000 0.897 158 L HN 0.541 nan 8.230 nan 0.000 0.436 159 L N -3.642 117.711 121.223 0.217 0.000 2.607 159 L HA -0.025 4.307 4.340 -0.014 0.000 0.228 159 L C 2.181 179.237 176.870 0.311 0.000 1.123 159 L CA 0.072 55.079 54.840 0.277 0.000 0.890 159 L CB -0.805 41.462 42.059 0.346 0.000 1.103 159 L HN 0.102 nan 8.230 nan 0.000 0.468 160 F N 2.984 123.025 119.950 0.151 0.000 2.084 160 F HA -0.048 4.469 4.527 -0.017 0.000 0.296 160 F C -0.239 175.569 175.800 0.014 0.000 1.111 160 F CA 1.540 59.640 58.000 0.167 0.000 1.224 160 F CB -0.803 38.302 39.000 0.174 0.000 0.991 160 F HN 0.048 nan 8.300 nan 0.000 0.471 161 P HA -0.203 nan 4.420 nan 0.000 0.214 161 P C 1.856 178.757 177.300 -0.666 0.000 1.169 161 P CA 2.475 65.284 63.100 -0.484 0.000 0.908 161 P CB -0.144 31.359 31.700 -0.328 0.000 0.791 162 S N -1.365 114.075 115.700 -0.433 0.000 2.365 162 S HA -0.224 4.237 4.470 -0.014 0.000 0.225 162 S C 1.638 175.774 174.600 -0.774 0.000 1.039 162 S CA 1.423 59.359 58.200 -0.439 0.000 1.033 162 S CB -1.331 61.781 63.200 -0.147 0.000 0.887 162 S HN 0.161 nan 8.310 nan 0.000 0.447 163 F N 2.272 121.642 119.950 -0.968 0.000 2.027 163 F HA -0.229 4.289 4.527 -0.014 0.000 0.297 163 F C 1.987 177.281 175.800 -0.843 0.000 1.129 163 F CA 1.670 58.999 58.000 -1.119 0.000 1.195 163 F CB -0.235 38.460 39.000 -0.509 0.000 0.960 163 F HN 0.111 nan 8.300 nan 0.000 0.485 164 I N 0.278 120.216 120.570 -1.052 0.000 2.252 164 I HA -0.283 3.878 4.170 -0.014 0.000 0.245 164 I C 2.390 178.136 176.117 -0.619 0.000 1.102 164 I CA 1.713 62.456 61.300 -0.929 0.000 1.385 164 I CB -1.936 35.602 38.000 -0.769 0.000 1.064 164 I HN 0.374 nan 8.210 nan 0.000 0.414 165 H N 1.040 119.765 119.070 -0.576 0.000 2.252 165 H HA -0.218 4.329 4.556 -0.017 0.000 0.292 165 H C 2.443 177.475 175.328 -0.494 0.000 1.082 165 H CA 1.988 57.775 56.048 -0.435 0.000 1.229 165 H CB -0.109 29.457 29.762 -0.326 0.000 1.353 165 H HN 0.371 nan 8.280 nan 0.000 0.488 166 S N 0.507 115.929 115.700 -0.464 0.000 2.528 166 S HA -0.150 4.312 4.470 -0.014 0.000 0.244 166 S C 1.723 175.949 174.600 -0.624 0.000 0.982 166 S CA 1.015 58.906 58.200 -0.515 0.000 0.953 166 S CB 0.018 62.866 63.200 -0.586 0.000 0.754 166 S HN 0.376 nan 8.310 nan 0.000 0.529 167 Q N 0.075 119.433 119.800 -0.737 0.000 2.396 167 Q HA 0.248 4.579 4.340 -0.014 0.000 0.209 167 Q C 0.684 176.419 176.000 -0.441 0.000 0.906 167 Q CA 0.437 55.821 55.803 -0.699 0.000 0.927 167 Q CB 0.177 28.385 28.738 -0.884 0.000 1.069 167 Q HN 0.496 nan 8.270 nan 0.000 0.523 168 K N 1.011 121.173 120.400 -0.396 0.000 2.894 168 K HA 0.304 4.615 4.320 -0.014 0.000 0.325 168 K C 0.753 177.186 176.600 -0.278 0.000 0.984 168 K CA -0.142 55.965 56.287 -0.299 0.000 1.266 168 K CB 0.067 32.407 32.500 -0.267 0.000 1.423 168 K HN -0.010 nan 8.250 nan 0.000 0.614 169 R N 0.324 120.652 120.500 -0.287 0.000 2.856 169 R HA 0.309 4.640 4.340 -0.014 0.000 0.258 169 R C -0.134 176.020 176.300 -0.243 0.000 1.066 169 R CA -0.880 55.053 56.100 -0.279 0.000 1.045 169 R CB 0.308 30.352 30.300 -0.426 0.000 1.178 169 R HN 0.446 nan 8.270 nan 0.000 0.499 170 N N 1.327 119.918 118.700 -0.181 0.000 2.468 170 N HA 0.026 4.757 4.740 -0.014 0.000 0.265 170 N C -1.706 173.743 175.510 -0.101 0.000 1.199 170 N CA -1.292 51.680 53.050 -0.130 0.000 0.928 170 N CB 0.825 39.261 38.487 -0.085 0.000 1.059 170 N HN 0.294 nan 8.380 nan 0.000 0.467 171 P HA -0.222 nan 4.420 nan 0.000 0.218 171 P C 0.611 177.895 177.300 -0.027 0.000 1.146 171 P CA 1.259 64.313 63.100 -0.078 0.000 0.820 171 P CB 0.209 31.847 31.700 -0.103 0.000 0.778 172 Q N -1.587 118.197 119.800 -0.026 0.000 2.304 172 Q HA 0.008 4.340 4.340 -0.014 0.000 0.204 172 Q C 1.759 177.764 176.000 0.008 0.000 0.936 172 Q CA 1.310 57.107 55.803 -0.011 0.000 0.878 172 Q CB -0.458 28.270 28.738 -0.016 0.000 0.983 172 Q HN -0.001 nan 8.270 nan 0.000 0.516 173 T N -1.032 113.527 114.554 0.009 0.000 3.031 173 T HA 0.017 4.359 4.350 -0.014 0.000 0.254 173 T C -0.188 174.563 174.700 0.086 0.000 1.060 173 T CA 0.866 62.979 62.100 0.023 0.000 1.135 173 T CB -0.065 68.800 68.868 -0.005 0.000 0.896 173 T HN 0.552 nan 8.240 nan 0.000 0.472 174 H N -0.613 118.421 119.070 -0.060 0.000 3.257 174 H HA -0.099 4.447 4.556 -0.016 0.000 0.222 174 H C -0.483 174.810 175.328 -0.058 0.000 1.143 174 H CA 0.214 56.226 56.048 -0.061 0.000 1.152 174 H CB -2.033 27.699 29.762 -0.049 0.000 1.188 174 H HN 0.286 nan 8.280 nan 0.000 0.315 175 L N 0.250 121.438 121.223 -0.058 0.000 2.352 175 L HA 0.414 4.746 4.340 -0.014 0.000 0.269 175 L C 0.781 177.577 176.870 -0.124 0.000 1.034 175 L CA -1.145 53.649 54.840 -0.075 0.000 0.806 175 L CB 0.955 42.991 42.059 -0.039 0.000 1.244 175 L HN -0.097 nan 8.230 nan 0.000 0.447 176 K N 1.050 121.382 120.400 -0.114 0.000 2.350 176 K HA 0.197 4.509 4.320 -0.014 0.000 0.279 176 K C -0.777 175.765 176.600 -0.096 0.000 1.027 176 K CA 0.108 56.324 56.287 -0.118 0.000 0.969 176 K CB 0.351 32.799 32.500 -0.087 0.000 0.954 176 K HN 0.357 nan 8.250 nan 0.000 0.474 177 D N 3.129 123.467 120.400 -0.103 0.000 2.788 177 D HA 0.276 4.908 4.640 -0.014 0.000 0.247 177 D C -2.282 173.985 176.300 -0.055 0.000 1.236 177 D CA -2.176 51.777 54.000 -0.078 0.000 0.898 177 D CB 1.924 42.671 40.800 -0.088 0.000 1.401 177 D HN 0.130 nan 8.370 nan 0.000 0.549 178 P HA 0.087 nan 4.420 nan 0.000 0.236 178 P C 0.432 177.822 177.300 0.151 0.000 1.177 178 P CA 0.330 63.500 63.100 0.118 0.000 0.773 178 P CB 0.704 32.440 31.700 0.061 0.000 0.878 179 D N -1.243 119.179 120.400 0.038 0.000 2.103 179 D HA -0.033 4.598 4.640 -0.014 0.000 0.199 179 D C 1.901 178.196 176.300 -0.009 0.000 0.978 179 D CA 1.225 55.222 54.000 -0.004 0.000 0.829 179 D CB -0.445 40.335 40.800 -0.032 0.000 0.981 179 D HN 0.095 nan 8.370 nan 0.000 0.464 180 M N -0.209 119.360 119.600 -0.051 0.000 2.099 180 M HA -0.120 4.352 4.480 -0.014 0.000 0.262 180 M C 2.134 178.321 176.300 -0.188 0.000 1.067 180 M CA 0.813 56.048 55.300 -0.108 0.000 1.124 180 M CB -0.044 32.459 32.600 -0.161 0.000 1.353 180 M HN -0.082 nan 8.290 nan 0.000 0.410 181 V N -0.685 119.080 119.914 -0.247 0.000 2.216 181 V HA -0.283 3.828 4.120 -0.014 0.000 0.243 181 V C 1.823 177.607 176.094 -0.517 0.000 1.044 181 V CA 2.131 64.066 62.300 -0.610 0.000 0.995 181 V CB -0.932 30.530 31.823 -0.603 0.000 0.633 181 V HN 0.577 nan 8.190 nan 0.000 0.446 182 W N 0.082 121.356 121.300 -0.043 0.000 2.402 182 W HA -0.126 4.526 4.660 -0.013 0.000 0.286 182 W C 2.327 178.867 176.519 0.035 0.000 1.221 182 W CA 1.079 58.484 57.345 0.100 0.000 1.257 182 W CB -0.332 29.198 29.460 0.118 0.000 1.120 182 W HN 0.339 nan 8.180 nan 0.000 0.551 183 D N -0.024 120.469 120.400 0.156 0.000 2.120 183 D HA -0.281 4.350 4.640 -0.014 0.000 0.191 183 D C 1.819 178.200 176.300 0.135 0.000 0.994 183 D CA 1.718 55.769 54.000 0.085 0.000 0.838 183 D CB -0.658 40.167 40.800 0.041 0.000 0.976 183 D HN 0.060 nan 8.370 nan 0.000 0.447 184 F N -0.203 119.722 119.950 -0.041 0.000 2.026 184 F HA -0.205 4.314 4.527 -0.012 0.000 0.296 184 F C 2.061 177.926 175.800 0.107 0.000 1.133 184 F CA 1.707 59.697 58.000 -0.016 0.000 1.188 184 F CB -0.411 38.510 39.000 -0.131 0.000 0.968 184 F HN 0.112 nan 8.300 nan 0.000 0.476 185 W N 0.857 122.167 121.300 0.017 0.000 2.313 185 W HA -0.256 4.396 4.660 -0.014 0.000 0.293 185 W C 3.033 179.502 176.519 -0.083 0.000 1.216 185 W CA 1.957 59.248 57.345 -0.090 0.000 1.223 185 W CB -1.723 27.611 29.460 -0.211 0.000 1.138 185 W HN 0.300 nan 8.180 nan 0.000 0.535 186 S N -1.399 114.442 115.700 0.235 0.000 2.470 186 S HA -0.034 4.427 4.470 -0.014 0.000 0.225 186 S C 1.717 176.316 174.600 -0.002 0.000 1.006 186 S CA 0.641 58.908 58.200 0.112 0.000 0.934 186 S CB -0.424 62.866 63.200 0.150 0.000 0.778 186 S HN 0.077 nan 8.310 nan 0.000 0.517 187 L N 0.989 122.190 121.223 -0.038 0.000 2.529 187 L HA 0.457 4.788 4.340 -0.014 0.000 0.223 187 L C 0.150 176.918 176.870 -0.169 0.000 1.113 187 L CA 0.435 55.224 54.840 -0.086 0.000 0.861 187 L CB 0.072 42.100 42.059 -0.053 0.000 1.012 187 L HN 0.115 nan 8.230 nan 0.000 0.461 188 R N -0.112 120.250 120.500 -0.229 0.000 2.576 188 R HA 0.344 4.675 4.340 -0.014 0.000 0.283 188 R C -2.218 173.981 176.300 -0.167 0.000 1.493 188 R CA -1.481 54.467 56.100 -0.253 0.000 1.170 188 R CB 0.802 30.815 30.300 -0.479 0.000 1.189 188 R HN -0.087 nan 8.270 nan 0.000 0.542 189 P HA -0.025 nan 4.420 nan 0.000 0.251 189 P C 0.734 177.952 177.300 -0.137 0.000 1.223 189 P CA 0.308 63.317 63.100 -0.151 0.000 0.796 189 P CB 0.464 32.075 31.700 -0.149 0.000 1.068 190 E N 1.134 121.266 120.200 -0.112 0.000 2.393 190 E HA -0.163 4.178 4.350 -0.014 0.000 0.201 190 E C 1.360 177.887 176.600 -0.122 0.000 1.025 190 E CA 1.454 57.794 56.400 -0.100 0.000 0.856 190 E CB -0.907 28.749 29.700 -0.074 0.000 0.771 190 E HN 0.309 nan 8.360 nan 0.000 0.526 191 S N -0.151 115.467 115.700 -0.137 0.000 2.593 191 S HA 0.101 4.562 4.470 -0.014 0.000 0.217 191 S C 1.798 176.254 174.600 -0.241 0.000 0.966 191 S CA -0.297 57.810 58.200 -0.155 0.000 0.914 191 S CB -0.226 62.909 63.200 -0.108 0.000 0.776 191 S HN 0.234 nan 8.310 nan 0.000 0.523 192 L N 0.389 121.495 121.223 -0.196 0.000 2.131 192 L HA 0.079 4.410 4.340 -0.014 0.000 0.206 192 L C 2.683 179.546 176.870 -0.013 0.000 1.087 192 L CA 1.390 56.154 54.840 -0.127 0.000 0.767 192 L CB -0.514 41.469 42.059 -0.126 0.000 0.917 192 L HN 0.501 nan 8.230 nan 0.000 0.441 193 H N -0.743 118.183 119.070 -0.240 0.000 2.253 193 H HA -0.281 4.267 4.556 -0.014 0.000 0.296 193 H C 2.291 177.275 175.328 -0.574 0.000 1.074 193 H CA 1.856 57.684 56.048 -0.368 0.000 1.263 193 H CB 0.369 29.870 29.762 -0.436 0.000 1.363 193 H HN 0.194 nan 8.280 nan 0.000 0.489 194 Q N 0.408 119.826 119.800 -0.636 0.000 2.187 194 Q HA -0.059 4.272 4.340 -0.014 0.000 0.199 194 Q C 2.286 178.029 176.000 -0.429 0.000 0.957 194 Q CA 1.220 56.522 55.803 -0.835 0.000 0.857 194 Q CB -0.169 27.819 28.738 -1.250 0.000 0.929 194 Q HN 0.337 nan 8.270 nan 0.000 0.453 195 V N 0.360 120.121 119.914 -0.255 0.000 2.469 195 V HA -0.259 3.853 4.120 -0.014 0.000 0.251 195 V C 2.125 178.413 176.094 0.323 0.000 1.064 195 V CA 1.974 64.266 62.300 -0.014 0.000 1.066 195 V CB -0.576 31.088 31.823 -0.264 0.000 0.667 195 V HN 0.387 nan 8.190 nan 0.000 0.461 196 S N -0.597 115.278 115.700 0.292 0.000 2.357 196 S HA -0.056 4.405 4.470 -0.014 0.000 0.221 196 S C 1.797 176.681 174.600 0.473 0.000 1.031 196 S CA 1.235 59.732 58.200 0.496 0.000 0.982 196 S CB -0.434 63.121 63.200 0.592 0.000 0.853 196 S HN 0.574 nan 8.310 nan 0.000 0.458 197 F N 1.003 120.872 119.950 -0.135 0.000 2.126 197 F HA -0.141 4.377 4.527 -0.014 0.000 0.299 197 F C 2.268 178.063 175.800 -0.008 0.000 1.096 197 F CA 0.481 58.376 58.000 -0.176 0.000 1.255 197 F CB -0.231 38.549 39.000 -0.366 0.000 0.997 197 F HN 0.184 nan 8.300 nan 0.000 0.479 198 L N -0.733 120.594 121.223 0.174 0.000 2.141 198 L HA -0.115 4.216 4.340 -0.014 0.000 0.209 198 L C 1.126 177.974 176.870 -0.036 0.000 1.094 198 L CA 1.702 56.558 54.840 0.028 0.000 0.763 198 L CB -0.578 41.437 42.059 -0.074 0.000 0.908 198 L HN -0.046 nan 8.230 nan 0.000 0.437 199 F N -0.924 119.140 119.950 0.190 0.000 2.660 199 F HA 0.275 4.793 4.527 -0.014 0.000 0.297 199 F C 1.298 177.210 175.800 0.187 0.000 1.132 199 F CA -0.082 58.034 58.000 0.194 0.000 1.372 199 F CB -0.796 38.330 39.000 0.209 0.000 1.003 199 F HN 0.076 nan 8.300 nan 0.000 0.524 200 S N -1.683 114.206 115.700 0.316 0.000 2.768 200 S HA 0.255 4.716 4.470 -0.014 0.000 0.300 200 S C 0.943 175.644 174.600 0.168 0.000 1.122 200 S CA -0.700 57.646 58.200 0.244 0.000 0.995 200 S CB 1.043 64.407 63.200 0.274 0.000 1.195 200 S HN 0.014 nan 8.310 nan 0.000 0.547 201 D N 0.453 120.930 120.400 0.128 0.000 2.228 201 D HA -0.070 4.562 4.640 -0.014 0.000 0.203 201 D C 1.620 177.973 176.300 0.088 0.000 0.988 201 D CA 1.136 55.193 54.000 0.094 0.000 0.864 201 D CB -0.170 40.671 40.800 0.068 0.000 0.928 201 D HN 0.465 nan 8.370 nan 0.000 0.469 202 R N -0.067 120.490 120.500 0.095 0.000 2.310 202 R HA 0.135 4.466 4.340 -0.014 0.000 0.202 202 R C 1.967 178.330 176.300 0.104 0.000 0.933 202 R CA 0.321 56.480 56.100 0.097 0.000 1.054 202 R CB 0.117 30.467 30.300 0.084 0.000 0.985 202 R HN 0.108 nan 8.270 nan 0.000 0.489 203 G N 1.183 110.040 108.800 0.095 0.000 2.443 203 G HA2 -0.103 3.848 3.960 -0.014 0.000 0.219 203 G HA3 -0.103 3.848 3.960 -0.014 0.000 0.219 203 G C 0.813 175.760 174.900 0.077 0.000 1.131 203 G CA 0.361 45.502 45.100 0.069 0.000 0.775 203 G HN 0.173 nan 8.290 nan 0.000 0.547 204 I N 1.494 122.112 120.570 0.081 0.000 2.595 204 I HA 0.259 4.421 4.170 -0.014 0.000 0.275 204 I C -2.622 173.547 176.117 0.087 0.000 1.092 204 I CA -2.136 59.211 61.300 0.078 0.000 1.145 204 I CB 2.337 40.368 38.000 0.052 0.000 1.276 204 I HN -0.184 nan 8.210 nan 0.000 0.497 205 P HA -0.070 nan 4.420 nan 0.000 0.265 205 P C -0.179 177.198 177.300 0.128 0.000 1.193 205 P CA -0.071 63.109 63.100 0.134 0.000 0.765 205 P CB 0.536 32.337 31.700 0.169 0.000 0.823 206 D N 3.273 123.755 120.400 0.137 0.000 2.541 206 D HA 0.265 4.896 4.640 -0.014 0.000 0.231 206 D C 0.881 177.348 176.300 0.279 0.000 1.163 206 D CA 1.012 55.124 54.000 0.187 0.000 1.077 206 D CB -1.251 39.623 40.800 0.124 0.000 1.110 206 D HN 0.584 nan 8.370 nan 0.000 0.499 207 G N 2.861 111.794 108.800 0.222 0.000 2.685 207 G HA2 -0.244 3.707 3.960 -0.014 0.000 0.387 207 G HA3 -0.244 3.707 3.960 -0.014 0.000 0.387 207 G C 0.611 175.415 174.900 -0.160 0.000 1.324 207 G CA -0.453 44.620 45.100 -0.045 0.000 0.878 207 G HN 0.483 nan 8.290 nan 0.000 0.527 208 H N 0.285 119.238 119.070 -0.194 0.000 2.502 208 H HA 0.085 4.633 4.556 -0.014 0.000 0.283 208 H C 2.709 177.829 175.328 -0.347 0.000 1.015 208 H CA 1.397 57.160 56.048 -0.474 0.000 1.298 208 H CB 0.210 29.206 29.762 -1.277 0.000 1.411 208 H HN 0.479 nan 8.280 nan 0.000 0.556 209 R N -0.156 120.240 120.500 -0.172 0.000 2.276 209 R HA 0.047 4.378 4.340 -0.014 0.000 0.196 209 R C 0.186 176.281 176.300 -0.343 0.000 0.961 209 R CA 0.302 56.258 56.100 -0.240 0.000 1.024 209 R CB 0.275 30.306 30.300 -0.449 0.000 0.940 209 R HN 0.375 nan 8.270 nan 0.000 0.480 210 H N 0.095 119.197 119.070 0.052 0.000 2.505 210 H HA 0.254 4.801 4.556 -0.014 0.000 0.260 210 H C -0.457 174.957 175.328 0.143 0.000 1.232 210 H CA -0.495 55.589 56.048 0.059 0.000 0.991 210 H CB 0.243 30.026 29.762 0.034 0.000 1.729 210 H HN 0.040 nan 8.280 nan 0.000 0.561 211 M N -1.932 117.873 119.600 0.341 0.000 2.622 211 M HA 0.534 5.005 4.480 -0.014 0.000 0.276 211 M C -1.659 174.949 176.300 0.513 0.000 1.265 211 M CA -1.182 54.330 55.300 0.353 0.000 0.850 211 M CB 2.503 35.290 32.600 0.311 0.000 1.720 211 M HN -0.219 nan 8.290 nan 0.000 0.465 212 D N 0.685 121.291 120.400 0.343 0.000 2.332 212 D HA 0.720 5.351 4.640 -0.014 0.000 0.252 212 D C -0.522 175.706 176.300 -0.120 0.000 1.050 212 D CA 0.028 54.107 54.000 0.132 0.000 0.970 212 D CB 2.030 42.753 40.800 -0.129 0.000 1.141 212 D HN 0.874 nan 8.370 nan 0.000 0.485 213 G N 0.077 108.434 108.800 -0.739 0.000 2.495 213 G HA2 0.551 4.502 3.960 -0.014 0.000 0.318 213 G HA3 0.551 4.502 3.960 -0.014 0.000 0.318 213 G C -1.635 172.156 174.900 -1.847 0.000 1.257 213 G CA -0.371 43.769 45.100 -1.601 0.000 0.962 213 G HN 0.237 nan 8.290 nan 0.000 0.483 214 Y N 0.115 119.856 120.300 -0.932 0.000 2.477 214 Y HA 0.491 5.032 4.550 -0.015 0.000 0.347 214 Y C 1.183 176.935 175.900 -0.247 0.000 0.981 214 Y CA -0.201 57.605 58.100 -0.490 0.000 1.033 214 Y CB 2.763 41.029 38.460 -0.323 0.000 1.245 214 Y HN 0.610 nan 8.280 nan 0.000 0.455 215 G N 0.022 108.905 108.800 0.139 0.000 2.511 215 G HA2 0.046 3.998 3.960 -0.014 0.000 0.217 215 G HA3 0.046 3.998 3.960 -0.014 0.000 0.217 215 G C 1.016 176.038 174.900 0.204 0.000 1.133 215 G CA 0.886 46.141 45.100 0.259 0.000 0.792 215 G HN 0.727 nan 8.290 nan 0.000 0.539 216 S N -0.885 114.818 115.700 0.006 0.000 1.797 216 S HA -0.246 4.215 4.470 -0.014 0.000 0.222 216 S C 1.004 175.442 174.600 -0.270 0.000 0.922 216 S CA 1.558 59.627 58.200 -0.218 0.000 1.575 216 S CB -1.215 61.769 63.200 -0.361 0.000 2.104 216 S HN 0.733 nan 8.310 nan 0.000 0.544 217 H N 1.219 120.259 119.070 -0.050 0.000 2.597 217 H HA 0.341 4.888 4.556 -0.015 0.000 0.370 217 H C 0.353 175.433 175.328 -0.412 0.000 1.281 217 H CA 0.730 56.592 56.048 -0.310 0.000 1.422 217 H CB 0.148 29.568 29.762 -0.571 0.000 1.524 217 H HN 0.287 nan 8.280 nan 0.000 0.607 218 T N 2.536 116.856 114.554 -0.391 0.000 2.744 218 T HA 0.299 4.641 4.350 -0.014 0.000 0.291 218 T C 0.050 174.487 174.700 -0.438 0.000 0.957 218 T CA -0.315 61.607 62.100 -0.297 0.000 1.002 218 T CB -0.012 68.801 68.868 -0.092 0.000 0.919 218 T HN 0.217 nan 8.240 nan 0.000 0.468 219 F N 1.550 121.594 119.950 0.156 0.000 2.456 219 F HA 0.695 5.213 4.527 -0.015 0.000 0.364 219 F C 0.629 176.613 175.800 0.307 0.000 1.092 219 F CA -1.175 56.965 58.000 0.234 0.000 1.125 219 F CB 0.986 40.177 39.000 0.318 0.000 1.543 219 F HN 0.280 nan 8.300 nan 0.000 0.504 220 K N 0.792 121.453 120.400 0.435 0.000 2.513 220 K HA 0.564 4.875 4.320 -0.014 0.000 0.251 220 K C -2.208 174.486 176.600 0.156 0.000 0.939 220 K CA -0.432 56.025 56.287 0.285 0.000 0.793 220 K CB 1.369 34.017 32.500 0.247 0.000 1.241 220 K HN 0.603 nan 8.250 nan 0.000 0.431 221 L N 3.863 125.124 121.223 0.064 0.000 2.322 221 L HA 0.617 4.949 4.340 -0.014 0.000 0.279 221 L C -0.858 175.985 176.870 -0.045 0.000 1.036 221 L CA -1.387 53.464 54.840 0.017 0.000 0.807 221 L CB 1.967 44.021 42.059 -0.008 0.000 1.226 221 L HN 0.455 nan 8.230 nan 0.000 0.433 222 V N 2.623 122.514 119.914 -0.039 0.000 2.447 222 V HA 0.222 4.333 4.120 -0.014 0.000 0.292 222 V C -0.061 176.022 176.094 -0.018 0.000 1.021 222 V CA -0.884 61.374 62.300 -0.071 0.000 0.850 222 V CB 1.511 33.300 31.823 -0.057 0.000 1.005 222 V HN 0.909 nan 8.190 nan 0.000 0.426 223 N N 3.749 122.436 118.700 -0.020 0.000 2.364 223 N HA 0.425 5.157 4.740 -0.014 0.000 0.264 223 N C 1.278 176.785 175.510 -0.005 0.000 1.263 223 N CA -0.152 52.894 53.050 -0.007 0.000 0.959 223 N CB 1.616 40.088 38.487 -0.025 0.000 1.204 223 N HN 0.545 nan 8.380 nan 0.000 0.550 224 A N -0.251 122.567 122.820 -0.003 0.000 2.178 224 A HA -0.149 4.163 4.320 -0.014 0.000 0.218 224 A C 0.963 178.544 177.584 -0.005 0.000 1.157 224 A CA 1.245 53.282 52.037 -0.000 0.000 0.689 224 A CB -0.413 18.587 19.000 -0.000 0.000 0.787 224 A HN 0.740 nan 8.150 nan 0.000 0.465 225 D N -1.724 118.668 120.400 -0.013 0.000 2.350 225 D HA 0.276 4.908 4.640 -0.014 0.000 0.213 225 D C 1.333 177.630 176.300 -0.006 0.000 1.031 225 D CA 1.097 55.088 54.000 -0.015 0.000 0.861 225 D CB 0.298 41.083 40.800 -0.026 0.000 0.926 225 D HN 0.564 nan 8.370 nan 0.000 0.520 226 G N 1.168 109.974 108.800 0.009 0.000 2.148 226 G HA2 -0.243 3.708 3.960 -0.014 0.000 0.203 226 G HA3 -0.243 3.708 3.960 -0.014 0.000 0.203 226 G C -0.014 174.926 174.900 0.067 0.000 0.993 226 G CA -0.462 44.670 45.100 0.054 0.000 0.661 226 G HN 0.292 nan 8.290 nan 0.000 0.518 227 E N 0.823 121.010 120.200 -0.022 0.000 2.130 227 E HA 0.631 4.972 4.350 -0.014 0.000 0.284 227 E C 0.533 177.012 176.600 -0.201 0.000 1.018 227 E CA 0.349 56.688 56.400 -0.101 0.000 0.817 227 E CB 1.207 30.855 29.700 -0.086 0.000 1.078 227 E HN 0.630 nan 8.360 nan 0.000 0.396 228 A N 2.942 125.504 122.820 -0.430 0.000 2.311 228 A HA 0.800 5.111 4.320 -0.014 0.000 0.334 228 A C -0.786 176.517 177.584 -0.468 0.000 1.139 228 A CA -0.554 51.131 52.037 -0.587 0.000 0.830 228 A CB 1.371 19.641 19.000 -1.216 0.000 1.234 228 A HN 0.445 nan 8.150 nan 0.000 0.483 229 V N 0.113 119.928 119.914 -0.165 0.000 3.147 229 V HA 0.354 4.465 4.120 -0.014 0.000 0.299 229 V C -1.762 174.396 176.094 0.106 0.000 1.302 229 V CA -0.531 61.810 62.300 0.069 0.000 1.015 229 V CB 2.120 33.982 31.823 0.065 0.000 1.086 229 V HN 0.830 nan 8.190 nan 0.000 0.437 230 Y N 2.499 122.969 120.300 0.282 0.000 2.320 230 Y HA 0.725 5.266 4.550 -0.015 0.000 0.324 230 Y C 0.531 176.567 175.900 0.225 0.000 1.190 230 Y CA -0.338 57.908 58.100 0.243 0.000 1.215 230 Y CB 1.540 40.135 38.460 0.226 0.000 1.221 230 Y HN 0.938 nan 8.280 nan 0.000 0.486 231 C N 0.726 120.245 119.300 0.365 0.000 3.332 231 C HA 0.851 5.302 4.460 -0.014 0.000 0.329 231 C C -1.604 173.294 174.990 -0.153 0.000 1.434 231 C CA -1.316 57.741 59.018 0.065 0.000 1.314 231 C CB 1.898 29.525 27.740 -0.189 0.000 1.664 231 C HN 0.872 nan 8.230 nan 0.000 0.457 232 K N 0.612 120.848 120.400 -0.273 0.000 2.535 232 K HA 0.603 4.914 4.320 -0.014 0.000 0.251 232 K C -1.900 174.681 176.600 -0.032 0.000 0.942 232 K CA -0.131 56.035 56.287 -0.202 0.000 0.798 232 K CB 1.881 34.154 32.500 -0.378 0.000 1.267 232 K HN 0.618 nan 8.250 nan 0.000 0.434 233 F N 2.144 122.226 119.950 0.221 0.000 2.404 233 F HA 0.360 4.879 4.527 -0.013 0.000 0.339 233 F C 0.608 176.563 175.800 0.259 0.000 1.105 233 F CA -0.226 57.950 58.000 0.293 0.000 1.087 233 F CB 1.084 40.213 39.000 0.216 0.000 1.143 233 F HN 0.283 nan 8.300 nan 0.000 0.491 234 H N 3.010 122.371 119.070 0.485 0.000 2.689 234 H HA 0.262 4.810 4.556 -0.014 0.000 0.346 234 H C -1.522 174.019 175.328 0.355 0.000 1.037 234 H CA -0.843 55.387 56.048 0.303 0.000 1.234 234 H CB 1.826 31.788 29.762 0.334 0.000 1.572 234 H HN 0.669 nan 8.280 nan 0.000 0.524 235 Y N 1.189 121.509 120.300 0.034 0.000 2.447 235 Y HA 0.391 4.932 4.550 -0.015 0.000 0.325 235 Y C -0.412 175.626 175.900 0.230 0.000 0.976 235 Y CA -1.324 56.843 58.100 0.113 0.000 1.280 235 Y CB 0.661 39.071 38.460 -0.083 0.000 1.104 235 Y HN 0.168 nan 8.280 nan 0.000 0.486 236 K N 1.753 122.420 120.400 0.446 0.000 2.144 236 K HA 0.250 4.562 4.320 -0.014 0.000 0.270 236 K C 0.049 176.882 176.600 0.388 0.000 1.005 236 K CA -0.635 55.878 56.287 0.377 0.000 0.932 236 K CB 1.945 34.660 32.500 0.358 0.000 1.021 236 K HN 0.743 nan 8.250 nan 0.000 0.462 237 T N 0.745 115.420 114.554 0.202 0.000 2.884 237 T HA 0.053 4.394 4.350 -0.014 0.000 0.298 237 T C 0.268 174.856 174.700 -0.187 0.000 0.998 237 T CA -0.359 61.577 62.100 -0.273 0.000 1.124 237 T CB 0.240 69.035 68.868 -0.122 0.000 0.931 237 T HN 0.330 nan 8.240 nan 0.000 0.531 238 D N 3.386 123.596 120.400 -0.317 0.000 2.339 238 D HA 0.073 4.705 4.640 -0.014 0.000 0.217 238 D C 1.561 177.788 176.300 -0.123 0.000 1.050 238 D CA 0.492 54.408 54.000 -0.139 0.000 0.856 238 D CB 0.492 41.226 40.800 -0.110 0.000 0.922 238 D HN 0.607 nan 8.370 nan 0.000 0.518 239 Q N 0.090 119.781 119.800 -0.182 0.000 2.376 239 Q HA 0.352 4.683 4.340 -0.014 0.000 0.206 239 Q C 0.958 177.032 176.000 0.123 0.000 0.921 239 Q CA 0.484 56.237 55.803 -0.082 0.000 0.911 239 Q CB 0.921 29.473 28.738 -0.310 0.000 1.032 239 Q HN 0.188 nan 8.270 nan 0.000 0.510 240 G N -0.084 108.770 108.800 0.090 0.000 2.612 240 G HA2 -0.133 3.818 3.960 -0.014 0.000 0.686 240 G HA3 -0.133 3.818 3.960 -0.014 0.000 0.686 240 G C -0.810 174.180 174.900 0.151 0.000 1.274 240 G CA -0.920 44.244 45.100 0.106 0.000 0.849 240 G HN -0.000 nan 8.290 nan 0.000 0.595 241 I N 0.416 121.040 120.570 0.091 0.000 3.021 241 I HA 0.685 4.846 4.170 -0.014 0.000 0.303 241 I C 0.755 176.877 176.117 0.008 0.000 1.044 241 I CA 0.108 61.466 61.300 0.098 0.000 1.266 241 I CB 1.349 39.402 38.000 0.088 0.000 1.447 241 I HN 0.762 nan 8.210 nan 0.000 0.593 242 K N 2.713 123.106 120.400 -0.012 0.000 2.619 242 K HA 0.213 4.524 4.320 -0.014 0.000 0.279 242 K C -1.819 174.772 176.600 -0.016 0.000 1.071 242 K CA -0.537 55.667 56.287 -0.138 0.000 1.039 242 K CB 1.175 33.378 32.500 -0.495 0.000 1.392 242 K HN 0.702 nan 8.250 nan 0.000 0.427 243 N N 3.769 122.468 118.700 -0.001 0.000 2.312 243 N HA 0.518 5.250 4.740 -0.014 0.000 0.296 243 N C -0.886 174.634 175.510 0.016 0.000 1.193 243 N CA -0.759 52.313 53.050 0.037 0.000 0.773 243 N CB 1.794 40.312 38.487 0.052 0.000 1.435 243 N HN 0.277 nan 8.380 nan 0.000 0.484 244 L N 0.924 122.156 121.223 0.015 0.000 2.295 244 L HA 0.351 4.683 4.340 -0.014 0.000 0.285 244 L C 1.171 178.040 176.870 -0.002 0.000 1.035 244 L CA -0.780 54.050 54.840 -0.017 0.000 0.806 244 L CB 1.162 43.178 42.059 -0.072 0.000 1.214 244 L HN 0.612 nan 8.230 nan 0.000 0.426 245 S N 1.264 116.964 115.700 -0.001 0.000 2.537 245 S HA -0.048 4.413 4.470 -0.014 0.000 0.280 245 S C 1.298 175.907 174.600 0.016 0.000 1.335 245 S CA -0.045 58.164 58.200 0.015 0.000 1.025 245 S CB 0.870 64.077 63.200 0.012 0.000 0.836 245 S HN 0.674 nan 8.310 nan 0.000 0.523 246 V N 0.469 120.406 119.914 0.039 0.000 2.913 246 V HA -0.051 4.061 4.120 -0.014 0.000 0.260 246 V C 2.076 178.190 176.094 0.033 0.000 1.098 246 V CA 2.058 64.387 62.300 0.048 0.000 1.121 246 V CB -1.221 30.651 31.823 0.081 0.000 0.714 246 V HN 1.055 nan 8.190 nan 0.000 0.487 247 E N 0.100 120.316 120.200 0.026 0.000 2.086 247 E HA -0.190 4.152 4.350 -0.014 0.000 0.190 247 E C 1.851 178.449 176.600 -0.004 0.000 0.975 247 E CA 1.307 57.720 56.400 0.021 0.000 0.813 247 E CB -0.378 29.337 29.700 0.026 0.000 0.768 247 E HN 0.524 nan 8.360 nan 0.000 0.457 248 D N 0.463 120.849 120.400 -0.023 0.000 2.158 248 D HA -0.149 4.482 4.640 -0.014 0.000 0.197 248 D C 1.757 177.993 176.300 -0.107 0.000 0.995 248 D CA 1.569 55.531 54.000 -0.064 0.000 0.846 248 D CB -0.210 40.550 40.800 -0.066 0.000 0.941 248 D HN 0.378 nan 8.370 nan 0.000 0.456 249 A N 0.340 123.111 122.820 -0.082 0.000 1.970 249 A HA 0.161 4.473 4.320 -0.014 0.000 0.216 249 A C 2.248 179.797 177.584 -0.057 0.000 1.170 249 A CA 1.528 53.510 52.037 -0.091 0.000 0.645 249 A CB -0.427 18.549 19.000 -0.040 0.000 0.816 249 A HN 0.208 nan 8.150 nan 0.000 0.447 250 A N 0.139 122.950 122.820 -0.015 0.000 1.858 250 A HA -0.180 4.132 4.320 -0.014 0.000 0.216 250 A C 2.247 179.850 177.584 0.031 0.000 1.190 250 A CA 1.739 53.797 52.037 0.035 0.000 0.617 250 A CB -0.584 18.448 19.000 0.053 0.000 0.827 250 A HN 0.517 nan 8.150 nan 0.000 0.443 251 R N -0.522 119.952 120.500 -0.042 0.000 2.097 251 R HA -0.139 4.192 4.340 -0.014 0.000 0.236 251 R C 2.064 178.132 176.300 -0.387 0.000 1.135 251 R CA 2.038 58.022 56.100 -0.192 0.000 0.934 251 R CB -0.475 29.743 30.300 -0.136 0.000 0.846 251 R HN 0.529 nan 8.270 nan 0.000 0.431 252 L N -0.033 121.039 121.223 -0.251 0.000 2.217 252 L HA -0.036 4.295 4.340 -0.014 0.000 0.211 252 L C 2.614 179.395 176.870 -0.149 0.000 1.107 252 L CA 0.863 55.559 54.840 -0.239 0.000 0.783 252 L CB -0.380 41.470 42.059 -0.348 0.000 0.919 252 L HN 0.327 nan 8.230 nan 0.000 0.442 253 A N -0.076 122.690 122.820 -0.089 0.000 2.019 253 A HA -0.236 4.076 4.320 -0.014 0.000 0.219 253 A C 2.193 179.810 177.584 0.054 0.000 1.164 253 A CA 1.865 53.901 52.037 -0.002 0.000 0.644 253 A CB -0.773 18.245 19.000 0.029 0.000 0.805 253 A HN 0.684 nan 8.150 nan 0.000 0.449 254 H N -2.939 116.132 119.070 0.001 0.000 2.406 254 H HA 0.166 4.713 4.556 -0.015 0.000 0.304 254 H C 1.743 177.078 175.328 0.011 0.000 1.042 254 H CA 0.735 56.787 56.048 0.007 0.000 1.360 254 H CB -0.284 29.480 29.762 0.005 0.000 1.448 254 H HN 0.382 nan 8.280 nan 0.000 0.553 255 E N 0.965 120.982 120.200 -0.305 0.000 2.152 255 E HA -0.101 4.240 4.350 -0.014 0.000 0.192 255 E C -0.189 176.381 176.600 -0.049 0.000 0.983 255 E CA 0.875 57.148 56.400 -0.212 0.000 0.818 255 E CB 0.245 29.722 29.700 -0.373 0.000 0.758 255 E HN 0.428 nan 8.360 nan 0.000 0.467 256 D N -1.364 119.025 120.400 -0.020 0.000 2.752 256 D HA 0.103 4.735 4.640 -0.014 0.000 0.242 256 D C -2.224 174.119 176.300 0.072 0.000 1.295 256 D CA -1.379 52.650 54.000 0.047 0.000 0.846 256 D CB 0.985 41.846 40.800 0.102 0.000 1.454 256 D HN -0.163 nan 8.370 nan 0.000 0.535 257 P HA -0.086 nan 4.420 nan 0.000 0.219 257 P C 0.290 177.646 177.300 0.092 0.000 1.144 257 P CA 1.059 64.200 63.100 0.067 0.000 0.806 257 P CB 0.460 32.194 31.700 0.056 0.000 0.771 258 D N -3.155 117.305 120.400 0.099 0.000 2.440 258 D HA 0.032 4.663 4.640 -0.014 0.000 0.216 258 D C 1.433 177.804 176.300 0.118 0.000 1.150 258 D CA -0.599 53.460 54.000 0.098 0.000 0.832 258 D CB -0.432 40.397 40.800 0.048 0.000 0.992 258 D HN 0.133 nan 8.370 nan 0.000 0.502 259 Y N 2.223 122.522 120.300 -0.002 0.000 2.024 259 Y HA -0.414 4.127 4.550 -0.015 0.000 0.257 259 Y C 2.318 178.193 175.900 -0.043 0.000 1.233 259 Y CA 2.531 60.618 58.100 -0.021 0.000 1.087 259 Y CB -0.374 38.065 38.460 -0.034 0.000 0.905 259 Y HN 0.099 nan 8.280 nan 0.000 0.503 260 G N 0.087 108.859 108.800 -0.048 0.000 2.442 260 G HA2 -0.221 3.730 3.960 -0.014 0.000 0.219 260 G HA3 -0.221 3.730 3.960 -0.014 0.000 0.219 260 G C 1.371 176.194 174.900 -0.129 0.000 1.141 260 G CA 1.193 46.111 45.100 -0.302 0.000 0.763 260 G HN 0.379 nan 8.290 nan 0.000 0.554 261 L N 0.244 121.505 121.223 0.065 0.000 2.023 261 L HA 0.071 4.403 4.340 -0.014 0.000 0.205 261 L C 2.717 179.654 176.870 0.112 0.000 1.073 261 L CA 1.469 56.412 54.840 0.172 0.000 0.745 261 L CB -1.534 40.642 42.059 0.195 0.000 0.900 261 L HN 0.267 nan 8.230 nan 0.000 0.435 262 R N 0.248 120.764 120.500 0.026 0.000 2.112 262 R HA -0.240 4.091 4.340 -0.014 0.000 0.242 262 R C 2.177 178.472 176.300 -0.009 0.000 1.137 262 R CA 2.313 58.416 56.100 0.004 0.000 0.944 262 R CB -0.324 29.952 30.300 -0.039 0.000 0.857 262 R HN 0.453 nan 8.270 nan 0.000 0.435 263 D N 0.185 120.489 120.400 -0.161 0.000 2.077 263 D HA -0.200 4.431 4.640 -0.014 0.000 0.193 263 D C 2.065 178.322 176.300 -0.071 0.000 0.989 263 D CA 1.319 55.197 54.000 -0.203 0.000 0.831 263 D CB -0.219 40.298 40.800 -0.473 0.000 0.979 263 D HN 0.299 nan 8.370 nan 0.000 0.449 264 L N 0.031 121.232 121.223 -0.035 0.000 2.034 264 L HA -0.253 4.078 4.340 -0.014 0.000 0.217 264 L C 2.659 179.607 176.870 0.131 0.000 1.077 264 L CA 1.611 56.486 54.840 0.058 0.000 0.769 264 L CB -0.603 41.545 42.059 0.149 0.000 0.890 264 L HN 0.133 nan 8.230 nan 0.000 0.435 265 F N 0.852 120.838 119.950 0.061 0.000 2.069 265 F HA -0.295 4.223 4.527 -0.015 0.000 0.298 265 F C 2.413 178.257 175.800 0.074 0.000 1.113 265 F CA 2.082 60.137 58.000 0.091 0.000 1.214 265 F CB -0.259 38.796 39.000 0.092 0.000 0.978 265 F HN 0.178 nan 8.300 nan 0.000 0.474 266 N N 0.677 119.521 118.700 0.241 0.000 2.069 266 N HA -0.175 4.556 4.740 -0.014 0.000 0.191 266 N C 1.914 177.448 175.510 0.041 0.000 1.031 266 N CA 1.451 54.588 53.050 0.145 0.000 0.852 266 N CB -0.972 37.578 38.487 0.105 0.000 1.018 266 N HN 0.414 nan 8.380 nan 0.000 0.423 267 A N 1.824 124.650 122.820 0.010 0.000 1.836 267 A HA -0.164 4.147 4.320 -0.014 0.000 0.215 267 A C 2.247 179.818 177.584 -0.022 0.000 1.214 267 A CA 1.712 53.735 52.037 -0.023 0.000 0.636 267 A CB -1.175 17.806 19.000 -0.031 0.000 0.847 267 A HN 0.294 nan 8.150 nan 0.000 0.451 268 I N -0.166 120.426 120.570 0.036 0.000 2.381 268 I HA -0.355 3.806 4.170 -0.014 0.000 0.255 268 I C 2.704 178.847 176.117 0.043 0.000 1.140 268 I CA 1.271 62.651 61.300 0.133 0.000 1.404 268 I CB -0.486 37.575 38.000 0.101 0.000 1.075 268 I HN 0.424 nan 8.210 nan 0.000 0.433 269 A N 0.628 123.416 122.820 -0.053 0.000 1.970 269 A HA -0.111 4.201 4.320 -0.014 0.000 0.216 269 A C 2.269 179.859 177.584 0.010 0.000 1.170 269 A CA 1.673 53.681 52.037 -0.048 0.000 0.645 269 A CB -0.681 18.293 19.000 -0.043 0.000 0.816 269 A HN 0.505 nan 8.150 nan 0.000 0.447 270 T N -4.956 109.588 114.554 -0.016 0.000 3.122 270 T HA 0.428 4.769 4.350 -0.014 0.000 0.250 270 T C 1.259 175.879 174.700 -0.133 0.000 1.067 270 T CA 1.064 63.140 62.100 -0.040 0.000 0.966 270 T CB 0.235 69.087 68.868 -0.027 0.000 1.002 270 T HN 1.595 nan 8.240 nan 0.000 0.542 271 G N 1.676 110.327 108.800 -0.249 0.000 2.176 271 G HA2 -0.256 3.696 3.960 -0.014 0.000 0.232 271 G HA3 -0.256 3.696 3.960 -0.014 0.000 0.232 271 G C 0.083 174.506 174.900 -0.795 0.000 0.986 271 G CA -0.080 44.669 45.100 -0.586 0.000 0.643 271 G HN 0.647 nan 8.290 nan 0.000 0.522 272 N N 0.706 119.138 118.700 -0.447 0.000 3.124 272 N HA 0.382 5.114 4.740 -0.014 0.000 0.284 272 N C -0.219 175.192 175.510 -0.166 0.000 1.209 272 N CA -0.477 52.398 53.050 -0.292 0.000 1.149 272 N CB -0.153 38.248 38.487 -0.143 0.000 1.434 272 N HN 0.440 nan 8.380 nan 0.000 0.529 273 Y N 2.217 122.505 120.300 -0.019 0.000 2.637 273 Y HA 0.168 4.710 4.550 -0.014 0.000 0.350 273 Y C -1.543 174.330 175.900 -0.046 0.000 1.069 273 Y CA -2.407 55.686 58.100 -0.012 0.000 1.397 273 Y CB -0.089 38.382 38.460 0.018 0.000 1.163 273 Y HN 0.373 nan 8.280 nan 0.000 0.527 274 P HA -0.026 nan 4.420 nan 0.000 0.266 274 P C -0.427 176.852 177.300 -0.033 0.000 1.195 274 P CA 0.141 63.178 63.100 -0.104 0.000 0.768 274 P CB 1.153 32.797 31.700 -0.093 0.000 0.838 275 S N 1.567 117.115 115.700 -0.253 0.000 2.632 275 S HA 0.777 5.238 4.470 -0.014 0.000 0.289 275 S C -1.587 172.863 174.600 -0.249 0.000 1.115 275 S CA -0.784 57.399 58.200 -0.028 0.000 0.889 275 S CB 1.724 64.929 63.200 0.008 0.000 1.116 275 S HN 0.530 nan 8.310 nan 0.000 0.486 276 W N 0.522 121.914 121.300 0.153 0.000 3.274 276 W HA 0.366 5.018 4.660 -0.013 0.000 0.327 276 W C -1.129 175.492 176.519 0.170 0.000 1.172 276 W CA -0.625 56.846 57.345 0.208 0.000 1.217 276 W CB 2.380 32.042 29.460 0.337 0.000 1.376 276 W HN 0.629 nan 8.180 nan 0.000 0.507 277 T N 3.613 118.363 114.554 0.327 0.000 2.767 277 T HA 0.318 4.659 4.350 -0.014 0.000 0.288 277 T C -0.370 174.410 174.700 0.133 0.000 0.963 277 T CA -0.425 61.761 62.100 0.143 0.000 1.019 277 T CB 1.183 70.035 68.868 -0.027 0.000 0.923 277 T HN 0.239 nan 8.240 nan 0.000 0.468 278 L N 4.817 126.116 121.223 0.127 0.000 2.292 278 L HA 0.560 4.891 4.340 -0.014 0.000 0.284 278 L C -1.511 175.344 176.870 -0.025 0.000 1.065 278 L CA -0.190 54.775 54.840 0.208 0.000 0.806 278 L CB 0.151 42.407 42.059 0.329 0.000 1.175 278 L HN 0.547 nan 8.230 nan 0.000 0.431 279 Y N 4.950 125.446 120.300 0.327 0.000 2.536 279 Y HA 0.653 5.194 4.550 -0.015 0.000 0.347 279 Y C -0.191 175.855 175.900 0.244 0.000 1.000 279 Y CA -0.865 57.369 58.100 0.223 0.000 1.051 279 Y CB 1.859 40.411 38.460 0.153 0.000 1.259 279 Y HN 0.570 nan 8.280 nan 0.000 0.468 280 I N -0.529 120.204 120.570 0.271 0.000 2.582 280 I HA 0.627 4.788 4.170 -0.014 0.000 0.292 280 I C -1.298 174.861 176.117 0.069 0.000 1.066 280 I CA -1.027 60.332 61.300 0.099 0.000 1.053 280 I CB 2.090 40.008 38.000 -0.136 0.000 1.241 280 I HN 0.487 nan 8.210 nan 0.000 0.421 281 Q N 4.148 124.002 119.800 0.089 0.000 2.241 281 Q HA 0.612 4.944 4.340 -0.014 0.000 0.254 281 Q C -0.911 175.183 176.000 0.158 0.000 0.917 281 Q CA -0.864 55.043 55.803 0.173 0.000 0.919 281 Q CB 3.183 32.104 28.738 0.304 0.000 1.237 281 Q HN 0.665 nan 8.270 nan 0.000 0.434 282 V N 3.848 123.844 119.914 0.138 0.000 2.513 282 V HA 0.648 4.759 4.120 -0.014 0.000 0.299 282 V C -1.129 175.082 176.094 0.195 0.000 1.035 282 V CA -0.680 61.650 62.300 0.051 0.000 0.889 282 V CB 1.699 33.310 31.823 -0.354 0.000 0.988 282 V HN 0.873 nan 8.190 nan 0.000 0.440 283 M N 5.745 125.424 119.600 0.131 0.000 2.124 283 M HA 0.426 4.898 4.480 -0.014 0.000 0.280 283 M C -0.245 176.134 176.300 0.131 0.000 0.954 283 M CA -0.185 55.097 55.300 -0.031 0.000 0.958 283 M CB 1.614 33.757 32.600 -0.762 0.000 1.611 283 M HN 0.759 nan 8.290 nan 0.000 0.449 284 T N 3.088 117.731 114.554 0.148 0.000 2.734 284 T HA 0.104 4.445 4.350 -0.014 0.000 0.314 284 T C 0.754 175.654 174.700 0.332 0.000 1.057 284 T CA 0.244 62.473 62.100 0.215 0.000 1.047 284 T CB 0.334 69.288 68.868 0.144 0.000 0.991 284 T HN 0.512 nan 8.240 nan 0.000 0.540 285 F N 0.587 120.562 119.950 0.042 0.000 2.407 285 F HA 0.020 4.538 4.527 -0.015 0.000 0.299 285 F C 2.657 178.515 175.800 0.096 0.000 1.097 285 F CA 0.409 58.469 58.000 0.100 0.000 1.422 285 F CB -0.779 38.242 39.000 0.035 0.000 1.067 285 F HN 0.415 nan 8.300 nan 0.000 0.539 286 S N -0.168 115.671 115.700 0.233 0.000 2.336 286 S HA -0.131 4.331 4.470 -0.014 0.000 0.216 286 S C 1.930 176.579 174.600 0.082 0.000 1.032 286 S CA 1.111 59.389 58.200 0.129 0.000 0.973 286 S CB -0.248 63.010 63.200 0.096 0.000 0.888 286 S HN 0.409 nan 8.310 nan 0.000 0.455 287 E N 1.734 121.979 120.200 0.075 0.000 2.171 287 E HA -0.178 4.163 4.350 -0.014 0.000 0.197 287 E C 2.164 178.756 176.600 -0.013 0.000 0.997 287 E CA 1.124 57.554 56.400 0.051 0.000 0.810 287 E CB -0.277 29.478 29.700 0.093 0.000 0.738 287 E HN 0.501 nan 8.360 nan 0.000 0.467 288 A N 1.869 124.651 122.820 -0.064 0.000 1.898 288 A HA -0.182 4.129 4.320 -0.014 0.000 0.216 288 A C 1.954 179.508 177.584 -0.050 0.000 1.181 288 A CA 1.005 52.945 52.037 -0.161 0.000 0.620 288 A CB -0.255 18.650 19.000 -0.158 0.000 0.819 288 A HN 0.118 nan 8.150 nan 0.000 0.442 289 E N -1.220 118.995 120.200 0.026 0.000 2.401 289 E HA -0.097 4.244 4.350 -0.014 0.000 0.199 289 E C 0.923 177.537 176.600 0.023 0.000 1.023 289 E CA 0.807 57.230 56.400 0.039 0.000 0.859 289 E CB -0.039 29.695 29.700 0.056 0.000 0.780 289 E HN 0.638 nan 8.360 nan 0.000 0.523 290 I N -0.555 120.029 120.570 0.023 0.000 4.323 290 I HA 0.016 4.177 4.170 -0.014 0.000 0.328 290 I C 0.413 176.539 176.117 0.015 0.000 1.310 290 I CA -0.287 61.020 61.300 0.011 0.000 1.186 290 I CB 0.495 38.501 38.000 0.010 0.000 1.130 290 I HN -0.058 nan 8.210 nan 0.000 0.411 291 F N 4.286 124.149 119.950 -0.145 0.000 2.629 291 F HA 0.064 4.583 4.527 -0.014 0.000 0.377 291 F C -1.330 174.354 175.800 -0.195 0.000 1.101 291 F CA -1.362 56.527 58.000 -0.184 0.000 1.301 291 F CB 0.466 39.294 39.000 -0.288 0.000 1.062 291 F HN -0.030 nan 8.300 nan 0.000 0.583 292 P HA -0.039 nan 4.420 nan 0.000 0.236 292 P C -0.808 176.047 177.300 -0.742 0.000 1.172 292 P CA 1.206 63.864 63.100 -0.737 0.000 0.759 292 P CB -0.213 30.901 31.700 -0.978 0.000 0.843 293 F N -1.585 118.040 119.950 -0.542 0.000 2.664 293 F HA 0.310 4.828 4.527 -0.014 0.000 0.329 293 F C 0.700 176.525 175.800 0.041 0.000 1.090 293 F CA -1.864 55.987 58.000 -0.248 0.000 0.978 293 F CB 0.175 38.992 39.000 -0.306 0.000 1.378 293 F HN -0.387 nan 8.300 nan 0.000 0.495 294 N N 3.693 122.569 118.700 0.292 0.000 2.427 294 N HA 0.094 4.825 4.740 -0.014 0.000 0.269 294 N C -1.702 173.923 175.510 0.193 0.000 1.235 294 N CA -1.283 51.877 53.050 0.183 0.000 0.934 294 N CB 0.951 39.529 38.487 0.151 0.000 1.121 294 N HN 0.185 nan 8.380 nan 0.000 0.480 295 P HA -0.171 nan 4.420 nan 0.000 0.218 295 P C 0.021 177.076 177.300 -0.408 0.000 1.146 295 P CA 1.336 64.156 63.100 -0.467 0.000 0.813 295 P CB -0.049 31.010 31.700 -1.068 0.000 0.778 296 F N -0.240 119.706 119.950 -0.006 0.000 2.660 296 F HA 0.250 4.769 4.527 -0.014 0.000 0.297 296 F C 0.708 176.490 175.800 -0.031 0.000 1.132 296 F CA -0.994 56.962 58.000 -0.073 0.000 1.372 296 F CB -0.638 38.286 39.000 -0.127 0.000 1.003 296 F HN -0.136 nan 8.300 nan 0.000 0.524 297 D N 0.878 121.334 120.400 0.094 0.000 2.303 297 D HA 0.126 4.757 4.640 -0.014 0.000 0.236 297 D C 0.810 177.102 176.300 -0.014 0.000 1.068 297 D CA -0.215 53.821 54.000 0.059 0.000 0.830 297 D CB 1.219 42.059 40.800 0.067 0.000 1.109 297 D HN 0.174 nan 8.370 nan 0.000 0.496 298 L N 3.171 124.379 121.223 -0.024 0.000 2.551 298 L HA -0.048 4.284 4.340 -0.014 0.000 0.228 298 L C 1.366 178.143 176.870 -0.155 0.000 1.153 298 L CA 1.156 55.935 54.840 -0.102 0.000 0.851 298 L CB -0.153 41.874 42.059 -0.053 0.000 0.959 298 L HN 0.560 nan 8.230 nan 0.000 0.451 299 T N -3.648 110.829 114.554 -0.127 0.000 3.188 299 T HA 0.135 4.476 4.350 -0.014 0.000 0.250 299 T C 0.448 175.094 174.700 -0.091 0.000 1.077 299 T CA -0.325 61.679 62.100 -0.160 0.000 0.967 299 T CB 0.036 68.833 68.868 -0.118 0.000 1.006 299 T HN 0.064 nan 8.240 nan 0.000 0.552 300 K N 1.673 122.000 120.400 -0.123 0.000 2.422 300 K HA 0.611 4.923 4.320 -0.014 0.000 0.251 300 K C -0.499 176.055 176.600 -0.077 0.000 0.933 300 K CA -0.876 55.361 56.287 -0.084 0.000 0.798 300 K CB 2.992 35.451 32.500 -0.069 0.000 1.238 300 K HN 0.151 nan 8.250 nan 0.000 0.428 301 V N -1.757 118.162 119.914 0.008 0.000 2.966 301 V HA 0.592 4.703 4.120 -0.014 0.000 0.317 301 V C -0.972 175.273 176.094 0.251 0.000 1.070 301 V CA -0.888 61.404 62.300 -0.013 0.000 1.008 301 V CB 1.122 32.950 31.823 0.009 0.000 1.070 301 V HN 0.597 nan 8.190 nan 0.000 0.457 302 W N 1.044 122.306 121.300 -0.063 0.000 2.314 302 W HA 0.606 5.258 4.660 -0.014 0.000 0.310 302 W C -2.599 173.936 176.519 0.026 0.000 1.075 302 W CA -2.993 54.292 57.345 -0.099 0.000 1.253 302 W CB 0.071 29.234 29.460 -0.495 0.000 1.238 302 W HN 0.432 nan 8.180 nan 0.000 0.440 303 P HA 0.028 nan 4.420 nan 0.000 0.268 303 P C 0.369 177.829 177.300 0.267 0.000 1.205 303 P CA 0.364 63.618 63.100 0.256 0.000 0.771 303 P CB 0.697 32.592 31.700 0.325 0.000 0.858 304 H N 0.598 119.815 119.070 0.246 0.000 2.555 304 H HA 0.064 4.611 4.556 -0.014 0.000 0.269 304 H C 1.972 177.365 175.328 0.107 0.000 0.988 304 H CA 1.022 57.168 56.048 0.162 0.000 1.178 304 H CB -0.156 29.651 29.762 0.077 0.000 1.373 304 H HN 0.558 nan 8.280 nan 0.000 0.588 305 G N -0.029 108.892 108.800 0.202 0.000 2.510 305 G HA2 -0.137 3.814 3.960 -0.014 0.000 0.212 305 G HA3 -0.137 3.814 3.960 -0.014 0.000 0.212 305 G C 1.182 176.092 174.900 0.015 0.000 1.151 305 G CA 0.240 45.397 45.100 0.095 0.000 0.817 305 G HN 0.237 nan 8.290 nan 0.000 0.534 306 D N 0.251 120.666 120.400 0.024 0.000 2.077 306 D HA -0.027 4.604 4.640 -0.014 0.000 0.196 306 D C 0.134 176.105 176.300 -0.549 0.000 0.986 306 D CA 0.883 54.724 54.000 -0.265 0.000 0.829 306 D CB -0.132 40.581 40.800 -0.144 0.000 0.983 306 D HN 0.399 nan 8.370 nan 0.000 0.453 307 Y N 0.620 120.988 120.300 0.114 0.000 2.944 307 Y HA 0.341 4.882 4.550 -0.014 0.000 0.335 307 Y C -2.207 173.774 175.900 0.135 0.000 1.075 307 Y CA -2.547 55.625 58.100 0.121 0.000 1.240 307 Y CB 0.945 39.515 38.460 0.183 0.000 1.167 307 Y HN -0.131 nan 8.280 nan 0.000 0.555 308 P HA -0.080 nan 4.420 nan 0.000 0.266 308 P C -0.277 177.081 177.300 0.097 0.000 1.186 308 P CA 0.219 63.383 63.100 0.108 0.000 0.767 308 P CB 0.862 32.593 31.700 0.053 0.000 0.820 309 L N 3.417 124.650 121.223 0.016 0.000 2.331 309 L HA 0.325 4.657 4.340 -0.014 0.000 0.278 309 L C 0.450 177.378 176.870 0.096 0.000 1.106 309 L CA -0.170 54.661 54.840 -0.015 0.000 0.824 309 L CB 0.038 41.904 42.059 -0.322 0.000 1.142 309 L HN 0.244 nan 8.230 nan 0.000 0.443 310 I N 4.877 125.552 120.570 0.176 0.000 2.339 310 I HA 0.320 4.481 4.170 -0.014 0.000 0.290 310 I C -2.198 174.034 176.117 0.191 0.000 0.994 310 I CA -2.140 59.258 61.300 0.163 0.000 1.191 310 I CB 1.669 39.730 38.000 0.101 0.000 1.343 310 I HN 0.287 nan 8.210 nan 0.000 0.458 311 P HA 0.075 nan 4.420 nan 0.000 0.268 311 P C 0.316 177.520 177.300 -0.160 0.000 1.205 311 P CA -0.015 62.929 63.100 -0.260 0.000 0.771 311 P CB 1.276 32.646 31.700 -0.551 0.000 0.858 312 V N 1.104 121.008 119.914 -0.016 0.000 3.137 312 V HA 0.498 4.610 4.120 -0.014 0.000 0.236 312 V C 0.853 177.152 176.094 0.342 0.000 1.260 312 V CA 1.089 63.515 62.300 0.210 0.000 1.244 312 V CB 0.099 32.104 31.823 0.304 0.000 1.016 312 V HN 0.832 nan 8.190 nan 0.000 0.477 313 G N -0.310 108.676 108.800 0.311 0.000 2.321 313 G HA2 0.446 4.398 3.960 -0.014 0.000 0.296 313 G HA3 0.446 4.398 3.960 -0.014 0.000 0.296 313 G C -2.107 172.897 174.900 0.174 0.000 1.287 313 G CA -0.555 44.616 45.100 0.119 0.000 0.846 313 G HN -0.090 nan 8.290 nan 0.000 0.508 314 K N -0.472 119.942 120.400 0.022 0.000 2.375 314 K HA 0.686 4.997 4.320 -0.014 0.000 0.249 314 K C -1.541 175.182 176.600 0.205 0.000 0.942 314 K CA -0.851 55.519 56.287 0.138 0.000 0.806 314 K CB 2.417 34.955 32.500 0.065 0.000 1.227 314 K HN 0.243 nan 8.250 nan 0.000 0.430 315 L N 2.604 123.982 121.223 0.259 0.000 2.345 315 L HA 0.370 4.701 4.340 -0.014 0.000 0.274 315 L C -0.867 176.093 176.870 0.151 0.000 0.999 315 L CA -0.775 54.197 54.840 0.220 0.000 0.849 315 L CB 1.462 43.691 42.059 0.283 0.000 1.220 315 L HN 0.247 nan 8.230 nan 0.000 0.422 316 V N 4.983 124.792 119.914 -0.174 0.000 2.483 316 V HA 0.501 4.613 4.120 -0.014 0.000 0.295 316 V C -0.349 175.643 176.094 -0.170 0.000 1.035 316 V CA -0.798 61.364 62.300 -0.229 0.000 0.896 316 V CB 2.132 33.580 31.823 -0.626 0.000 0.986 316 V HN 0.329 nan 8.190 nan 0.000 0.447 317 L N 5.320 126.567 121.223 0.039 0.000 2.296 317 L HA 0.557 4.888 4.340 -0.014 0.000 0.286 317 L C 0.567 177.405 176.870 -0.053 0.000 1.023 317 L CA 0.214 55.082 54.840 0.047 0.000 0.812 317 L CB 1.332 43.510 42.059 0.198 0.000 1.223 317 L HN 0.856 nan 8.230 nan 0.000 0.421 318 N N 3.003 121.617 118.700 -0.143 0.000 2.286 318 N HA 0.117 4.849 4.740 -0.014 0.000 0.245 318 N C -0.288 175.106 175.510 -0.194 0.000 1.363 318 N CA -0.380 52.385 53.050 -0.475 0.000 0.822 318 N CB 0.815 38.733 38.487 -0.949 0.000 1.345 318 N HN 0.614 nan 8.380 nan 0.000 0.494 319 R N 0.476 120.978 120.500 0.004 0.000 2.522 319 R HA 0.333 4.665 4.340 -0.014 0.000 0.273 319 R C -1.556 174.830 176.300 0.143 0.000 1.133 319 R CA -0.465 55.676 56.100 0.068 0.000 0.969 319 R CB 0.985 31.334 30.300 0.082 0.000 1.235 319 R HN -0.035 nan 8.270 nan 0.000 0.433 320 N N 3.489 122.221 118.700 0.055 0.000 2.495 320 N HA 0.408 5.140 4.740 -0.014 0.000 0.280 320 N C -2.455 173.189 175.510 0.223 0.000 1.168 320 N CA -1.531 51.554 53.050 0.058 0.000 0.978 320 N CB 1.144 39.404 38.487 -0.378 0.000 1.191 320 N HN 0.428 nan 8.380 nan 0.000 0.497 321 P HA 0.078 nan 4.420 nan 0.000 0.271 321 P C 0.749 178.233 177.300 0.307 0.000 1.218 321 P CA -0.270 63.028 63.100 0.330 0.000 0.780 321 P CB 0.860 32.789 31.700 0.381 0.000 0.901 322 V N 1.206 121.238 119.914 0.197 0.000 2.379 322 V HA -0.029 4.082 4.120 -0.014 0.000 0.243 322 V C 0.877 177.091 176.094 0.201 0.000 1.035 322 V CA 1.548 63.963 62.300 0.191 0.000 1.035 322 V CB -0.864 31.025 31.823 0.111 0.000 0.673 322 V HN 0.595 nan 8.190 nan 0.000 0.457 323 N N -1.611 117.200 118.700 0.184 0.000 2.448 323 N HA 0.264 4.996 4.740 -0.014 0.000 0.279 323 N C -0.006 175.658 175.510 0.256 0.000 1.025 323 N CA -0.527 52.644 53.050 0.202 0.000 0.898 323 N CB 1.287 39.866 38.487 0.154 0.000 1.303 323 N HN 0.241 nan 8.380 nan 0.000 0.495 324 Y N 3.885 124.287 120.300 0.169 0.000 2.184 324 Y HA -0.104 4.436 4.550 -0.017 0.000 0.290 324 Y C 1.626 177.616 175.900 0.151 0.000 1.129 324 Y CA 1.363 59.565 58.100 0.169 0.000 1.144 324 Y CB -0.096 38.456 38.460 0.155 0.000 0.995 324 Y HN 0.671 nan 8.280 nan 0.000 0.513 325 F N 0.776 120.947 119.950 0.370 0.000 2.065 325 F HA -0.302 4.209 4.527 -0.026 0.000 0.298 325 F C 2.242 178.109 175.800 0.112 0.000 1.112 325 F CA 2.289 60.433 58.000 0.241 0.000 1.212 325 F CB -0.689 38.411 39.000 0.167 0.000 0.975 325 F HN 0.075 nan 8.300 nan 0.000 0.476 326 A N -0.771 122.101 122.820 0.087 0.000 2.021 326 A HA -0.000 4.311 4.320 -0.014 0.000 0.216 326 A C 1.802 179.346 177.584 -0.067 0.000 1.163 326 A CA 1.373 53.397 52.037 -0.022 0.000 0.676 326 A CB -0.472 18.587 19.000 0.098 0.000 0.818 326 A HN 0.595 nan 8.150 nan 0.000 0.453 327 E N -1.343 118.844 120.200 -0.023 0.000 2.511 327 E HA 0.178 4.519 4.350 -0.014 0.000 0.209 327 E C 0.953 177.565 176.600 0.019 0.000 0.986 327 E CA 0.323 56.756 56.400 0.056 0.000 0.974 327 E CB 0.862 30.648 29.700 0.143 0.000 1.030 327 E HN 0.353 nan 8.360 nan 0.000 0.490 328 V N -0.011 119.763 119.914 -0.233 0.000 3.058 328 V HA -0.019 4.092 4.120 -0.014 0.000 0.233 328 V C 1.913 177.771 176.094 -0.393 0.000 1.255 328 V CA 0.617 62.651 62.300 -0.443 0.000 1.267 328 V CB 0.332 31.660 31.823 -0.824 0.000 1.049 328 V HN -0.001 nan 8.190 nan 0.000 0.486 329 E N 1.173 121.150 120.200 -0.371 0.000 2.106 329 E HA -0.185 4.157 4.350 -0.014 0.000 0.192 329 E C 2.021 178.445 176.600 -0.294 0.000 0.984 329 E CA 1.497 57.768 56.400 -0.214 0.000 0.806 329 E CB -0.129 29.489 29.700 -0.136 0.000 0.750 329 E HN 0.630 nan 8.360 nan 0.000 0.458 330 Q N -0.336 119.222 119.800 -0.403 0.000 2.365 330 Q HA 0.149 4.480 4.340 -0.014 0.000 0.203 330 Q C -0.038 175.819 176.000 -0.239 0.000 0.929 330 Q CA -0.264 55.344 55.803 -0.326 0.000 0.948 330 Q CB 0.324 28.848 28.738 -0.357 0.000 1.043 330 Q HN 0.277 nan 8.270 nan 0.000 0.505 331 L N 1.314 122.392 121.223 -0.242 0.000 2.410 331 L HA 0.227 4.559 4.340 -0.014 0.000 0.273 331 L C -0.384 176.251 176.870 -0.391 0.000 1.152 331 L CA -0.406 54.231 54.840 -0.338 0.000 0.855 331 L CB 0.696 42.537 42.059 -0.363 0.000 1.129 331 L HN 0.030 nan 8.230 nan 0.000 0.463 332 A N 5.546 128.046 122.820 -0.534 0.000 2.340 332 A HA 0.589 4.900 4.320 -0.014 0.000 0.297 332 A C -1.071 176.178 177.584 -0.558 0.000 1.195 332 A CA -0.458 51.176 52.037 -0.671 0.000 0.769 332 A CB 0.333 18.672 19.000 -1.101 0.000 1.163 332 A HN 0.531 nan 8.150 nan 0.000 0.472 333 F N 1.905 121.818 119.950 -0.063 0.000 2.405 333 F HA 0.375 4.894 4.527 -0.013 0.000 0.355 333 F C -0.073 175.806 175.800 0.133 0.000 1.121 333 F CA -0.211 57.761 58.000 -0.047 0.000 1.112 333 F CB 1.546 40.462 39.000 -0.139 0.000 1.126 333 F HN 0.435 nan 8.300 nan 0.000 0.481 334 D N 5.661 126.164 120.400 0.172 0.000 2.440 334 D HA 0.214 4.845 4.640 -0.014 0.000 0.239 334 D C -1.955 174.301 176.300 -0.072 0.000 1.084 334 D CA -1.575 52.494 54.000 0.116 0.000 0.843 334 D CB 1.847 42.769 40.800 0.203 0.000 1.097 334 D HN 0.199 nan 8.370 nan 0.000 0.531 335 P HA -0.194 nan 4.420 nan 0.000 0.218 335 P C 1.324 178.611 177.300 -0.022 0.000 1.146 335 P CA 1.243 64.229 63.100 -0.190 0.000 0.820 335 P CB 0.279 31.774 31.700 -0.342 0.000 0.778 336 S N -2.781 112.927 115.700 0.013 0.000 2.603 336 S HA -0.005 4.456 4.470 -0.014 0.000 0.220 336 S C 0.847 175.491 174.600 0.074 0.000 0.967 336 S CA -0.005 58.232 58.200 0.062 0.000 0.920 336 S CB -1.105 62.138 63.200 0.072 0.000 0.773 336 S HN 0.168 nan 8.310 nan 0.000 0.529 337 N N 1.572 120.314 118.700 0.070 0.000 2.968 337 N HA 0.329 5.060 4.740 -0.014 0.000 0.271 337 N C -1.149 174.454 175.510 0.154 0.000 1.174 337 N CA -0.019 53.078 53.050 0.079 0.000 1.096 337 N CB 0.141 38.652 38.487 0.039 0.000 1.403 337 N HN 0.414 nan 8.380 nan 0.000 0.522 338 M N 2.524 122.196 119.600 0.121 0.000 2.321 338 M HA 0.444 4.915 4.480 -0.014 0.000 0.315 338 M C -2.400 173.897 176.300 -0.004 0.000 1.052 338 M CA -1.682 53.675 55.300 0.094 0.000 0.936 338 M CB 2.526 35.161 32.600 0.059 0.000 1.639 338 M HN 0.151 nan 8.290 nan 0.000 0.433 339 P HA 0.495 nan 4.420 nan 0.000 0.283 339 P C -2.872 174.361 177.300 -0.111 0.000 1.271 339 P CA -1.893 61.158 63.100 -0.082 0.000 0.841 339 P CB 0.090 31.731 31.700 -0.099 0.000 1.122 340 P HA 0.028 nan 4.420 nan 0.000 0.259 340 P C 0.970 178.235 177.300 -0.058 0.000 1.163 340 P CA 1.507 64.583 63.100 -0.040 0.000 0.760 340 P CB -0.509 31.180 31.700 -0.017 0.000 0.762 341 G N 1.856 110.635 108.800 -0.035 0.000 2.201 341 G HA2 -0.184 3.768 3.960 -0.014 0.000 0.212 341 G HA3 -0.184 3.768 3.960 -0.014 0.000 0.212 341 G C -0.122 174.760 174.900 -0.029 0.000 0.994 341 G CA -0.321 44.767 45.100 -0.021 0.000 0.644 341 G HN 0.478 nan 8.290 nan 0.000 0.508 342 I N 0.140 120.667 120.570 -0.072 0.000 2.646 342 I HA 0.850 5.011 4.170 -0.014 0.000 0.299 342 I C -0.198 175.946 176.117 0.045 0.000 1.036 342 I CA -0.987 60.283 61.300 -0.050 0.000 1.074 342 I CB 2.322 40.161 38.000 -0.268 0.000 1.258 342 I HN 0.165 nan 8.210 nan 0.000 0.430 343 E N 4.584 124.885 120.200 0.169 0.000 2.431 343 E HA 0.387 4.728 4.350 -0.014 0.000 0.287 343 E C -2.845 173.923 176.600 0.280 0.000 1.032 343 E CA -1.505 55.008 56.400 0.188 0.000 0.839 343 E CB 2.249 32.030 29.700 0.136 0.000 1.218 343 E HN 0.203 nan 8.360 nan 0.000 0.424 344 P HA 0.126 nan 4.420 nan 0.000 0.275 344 P C -0.702 176.658 177.300 0.101 0.000 1.228 344 P CA -0.325 62.865 63.100 0.150 0.000 0.786 344 P CB 1.095 32.834 31.700 0.064 0.000 0.927 345 S N 1.953 117.644 115.700 -0.015 0.000 2.713 345 S HA 0.481 4.943 4.470 -0.014 0.000 0.277 345 S C -2.015 172.428 174.600 -0.262 0.000 1.168 345 S CA -1.445 56.710 58.200 -0.075 0.000 0.994 345 S CB 0.135 63.266 63.200 -0.116 0.000 1.054 345 S HN 0.198 nan 8.310 nan 0.000 0.555 346 P HA 0.149 nan 4.420 nan 0.000 0.249 346 P C -0.419 176.656 177.300 -0.376 0.000 1.241 346 P CA 0.099 62.895 63.100 -0.507 0.000 0.781 346 P CB -0.287 31.051 31.700 -0.604 0.000 1.088 347 D N 0.883 121.119 120.400 -0.274 0.000 2.661 347 D HA -0.117 4.514 4.640 -0.014 0.000 0.244 347 D C 0.994 177.247 176.300 -0.079 0.000 1.196 347 D CA 0.660 54.618 54.000 -0.070 0.000 0.881 347 D CB 0.621 41.394 40.800 -0.045 0.000 1.141 347 D HN 0.075 nan 8.370 nan 0.000 0.530 348 K N 3.393 123.779 120.400 -0.023 0.000 2.147 348 K HA -0.113 4.199 4.320 -0.014 0.000 0.205 348 K C 1.953 178.552 176.600 -0.002 0.000 1.049 348 K CA 0.819 57.095 56.287 -0.019 0.000 0.936 348 K CB 0.085 32.597 32.500 0.020 0.000 0.722 348 K HN 0.470 nan 8.250 nan 0.000 0.446 349 M N 0.226 119.850 119.600 0.040 0.000 2.229 349 M HA -0.078 4.393 4.480 -0.014 0.000 0.264 349 M C 2.084 178.366 176.300 -0.031 0.000 1.063 349 M CA 1.100 56.444 55.300 0.073 0.000 1.114 349 M CB -0.578 32.130 32.600 0.179 0.000 1.387 349 M HN 0.156 nan 8.290 nan 0.000 0.420 350 L N 0.571 121.667 121.223 -0.211 0.000 2.131 350 L HA -0.079 4.252 4.340 -0.014 0.000 0.206 350 L C 2.240 178.981 176.870 -0.216 0.000 1.087 350 L CA 1.640 56.180 54.840 -0.499 0.000 0.767 350 L CB -0.693 40.933 42.059 -0.722 0.000 0.917 350 L HN 0.259 nan 8.230 nan 0.000 0.441 351 Q N -0.343 119.374 119.800 -0.138 0.000 2.224 351 Q HA -0.057 4.275 4.340 -0.014 0.000 0.203 351 Q C 1.993 177.984 176.000 -0.016 0.000 0.970 351 Q CA 1.364 57.121 55.803 -0.076 0.000 0.865 351 Q CB -0.441 28.243 28.738 -0.090 0.000 0.922 351 Q HN 0.662 nan 8.270 nan 0.000 0.445 352 G N 0.940 109.737 108.800 -0.004 0.000 2.411 352 G HA2 -0.173 3.778 3.960 -0.014 0.000 0.213 352 G HA3 -0.173 3.778 3.960 -0.014 0.000 0.213 352 G C 1.556 176.537 174.900 0.135 0.000 1.166 352 G CA -0.012 45.120 45.100 0.053 0.000 0.802 352 G HN 0.202 nan 8.290 nan 0.000 0.533 353 R N -0.442 120.100 120.500 0.070 0.000 2.091 353 R HA -0.026 4.306 4.340 -0.014 0.000 0.238 353 R C 2.397 178.787 176.300 0.151 0.000 1.136 353 R CA 0.761 56.954 56.100 0.155 0.000 0.959 353 R CB -0.587 29.727 30.300 0.023 0.000 0.856 353 R HN 0.203 nan 8.270 nan 0.000 0.437 354 L N 0.045 121.316 121.223 0.081 0.000 2.123 354 L HA -0.254 4.078 4.340 -0.014 0.000 0.217 354 L C 2.016 178.992 176.870 0.177 0.000 1.081 354 L CA 1.837 56.738 54.840 0.102 0.000 0.772 354 L CB -0.705 41.404 42.059 0.083 0.000 0.890 354 L HN 0.194 nan 8.230 nan 0.000 0.437 355 F N -1.054 118.933 119.950 0.061 0.000 2.437 355 F HA 0.230 4.751 4.527 -0.011 0.000 0.288 355 F C 2.160 177.999 175.800 0.066 0.000 1.085 355 F CA 0.745 58.781 58.000 0.060 0.000 1.430 355 F CB -0.143 38.876 39.000 0.033 0.000 1.120 355 F HN -0.067 nan 8.300 nan 0.000 0.556 356 A N -0.470 122.333 122.820 -0.027 0.000 2.016 356 A HA -0.040 4.272 4.320 -0.014 0.000 0.217 356 A C 1.757 179.155 177.584 -0.309 0.000 1.162 356 A CA 1.091 52.993 52.037 -0.225 0.000 0.662 356 A CB -1.272 17.737 19.000 0.015 0.000 0.812 356 A HN 0.598 nan 8.150 nan 0.000 0.450 357 Y N 0.257 120.409 120.300 -0.246 0.000 2.176 357 Y HA -0.052 4.491 4.550 -0.012 0.000 0.291 357 Y C -0.216 175.436 175.900 -0.413 0.000 1.122 357 Y CA 1.454 59.353 58.100 -0.336 0.000 1.128 357 Y CB -0.921 37.465 38.460 -0.123 0.000 1.005 357 Y HN 0.267 nan 8.280 nan 0.000 0.509 358 P HA -0.146 nan 4.420 nan 0.000 0.220 358 P C 0.680 177.902 177.300 -0.130 0.000 1.148 358 P CA 1.968 65.118 63.100 0.084 0.000 0.803 358 P CB -0.023 31.773 31.700 0.159 0.000 0.782 359 D N -1.131 119.069 120.400 -0.334 0.000 2.178 359 D HA -0.121 4.511 4.640 -0.014 0.000 0.202 359 D C 1.860 178.014 176.300 -0.244 0.000 0.974 359 D CA 1.307 55.078 54.000 -0.381 0.000 0.841 359 D CB -0.436 39.908 40.800 -0.761 0.000 0.953 359 D HN 0.006 nan 8.370 nan 0.000 0.478 360 T N -2.476 111.888 114.554 -0.315 0.000 3.044 360 T HA 0.071 4.413 4.350 -0.014 0.000 0.250 360 T C 1.311 175.919 174.700 -0.153 0.000 1.081 360 T CA 0.362 62.328 62.100 -0.222 0.000 1.040 360 T CB -0.246 68.427 68.868 -0.324 0.000 0.962 360 T HN 0.275 nan 8.240 nan 0.000 0.506 361 H N 0.045 118.938 119.070 -0.296 0.000 2.448 361 H HA 0.232 4.776 4.556 -0.020 0.000 0.292 361 H C 2.378 177.391 175.328 -0.526 0.000 1.035 361 H CA 0.498 56.182 56.048 -0.607 0.000 1.349 361 H CB 0.386 29.486 29.762 -1.104 0.000 1.425 361 H HN 0.197 nan 8.280 nan 0.000 0.539 362 R N -0.496 119.929 120.500 -0.125 0.000 2.235 362 R HA -0.097 4.234 4.340 -0.014 0.000 0.213 362 R C 1.636 177.978 176.300 0.069 0.000 1.059 362 R CA 1.057 57.201 56.100 0.072 0.000 0.997 362 R CB 0.002 30.372 30.300 0.117 0.000 0.884 362 R HN 0.460 nan 8.270 nan 0.000 0.462 363 H N 0.527 119.570 119.070 -0.044 0.000 2.297 363 H HA 0.114 4.675 4.556 0.009 0.000 0.317 363 H C 2.187 177.502 175.328 -0.021 0.000 1.062 363 H CA 1.066 57.096 56.048 -0.030 0.000 1.431 363 H CB 0.124 29.857 29.762 -0.047 0.000 1.452 363 H HN -0.140 nan 8.280 nan 0.000 0.565 364 R N -0.392 120.012 120.500 -0.160 0.000 2.103 364 R HA -0.134 4.197 4.340 -0.014 0.000 0.234 364 R C 1.845 178.075 176.300 -0.117 0.000 1.132 364 R CA 2.212 58.219 56.100 -0.154 0.000 0.925 364 R CB -0.343 29.959 30.300 0.003 0.000 0.842 364 R HN 0.323 nan 8.270 nan 0.000 0.430 365 L N -1.581 119.600 121.223 -0.070 0.000 2.071 365 L HA 0.296 4.627 4.340 -0.014 0.000 0.201 365 L C 1.001 177.887 176.870 0.027 0.000 1.076 365 L CA 1.957 56.785 54.840 -0.020 0.000 0.755 365 L CB -0.447 41.580 42.059 -0.053 0.000 0.915 365 L HN 0.596 nan 8.230 nan 0.000 0.445 366 G N -3.237 105.605 108.800 0.070 0.000 2.345 366 G HA2 0.134 4.085 3.960 -0.014 0.000 0.310 366 G HA3 0.134 4.085 3.960 -0.014 0.000 0.310 366 G C -2.444 172.585 174.900 0.214 0.000 1.476 366 G CA -0.403 44.760 45.100 0.104 0.000 0.978 366 G HN -0.157 nan 8.290 nan 0.000 0.656 367 P HA -0.078 nan 4.420 nan 0.000 0.218 367 P C 0.828 178.202 177.300 0.123 0.000 1.146 367 P CA 1.477 64.667 63.100 0.150 0.000 0.820 367 P CB 0.028 31.778 31.700 0.083 0.000 0.778 368 N N -2.104 116.644 118.700 0.080 0.000 2.553 368 N HA 0.083 4.814 4.740 -0.014 0.000 0.298 368 N C 0.253 175.719 175.510 -0.074 0.000 1.596 368 N CA -0.362 52.661 53.050 -0.046 0.000 0.910 368 N CB -0.020 38.449 38.487 -0.029 0.000 1.336 368 N HN 0.194 nan 8.380 nan 0.000 0.497 369 Y N -1.210 119.074 120.300 -0.027 0.000 2.632 369 Y HA 0.217 4.754 4.550 -0.021 0.000 0.301 369 Y C 0.690 176.543 175.900 -0.079 0.000 1.172 369 Y CA 0.213 58.279 58.100 -0.056 0.000 1.328 369 Y CB -0.088 38.334 38.460 -0.064 0.000 1.016 369 Y HN 0.154 nan 8.280 nan 0.000 0.529 370 L N 0.253 121.114 121.223 -0.604 0.000 2.667 370 L HA 0.191 4.523 4.340 -0.014 0.000 0.232 370 L C 1.388 178.135 176.870 -0.205 0.000 1.138 370 L CA 0.306 54.862 54.840 -0.473 0.000 0.921 370 L CB 0.095 41.831 42.059 -0.538 0.000 1.180 370 L HN 0.272 nan 8.230 nan 0.000 0.487 371 Q N -0.411 119.302 119.800 -0.145 0.000 2.247 371 Q HA 0.176 4.507 4.340 -0.014 0.000 0.211 371 Q C -0.166 175.807 176.000 -0.046 0.000 0.861 371 Q CA -0.325 55.432 55.803 -0.077 0.000 0.949 371 Q CB 1.080 29.778 28.738 -0.067 0.000 1.115 371 Q HN 0.228 nan 8.270 nan 0.000 0.507 372 I N 2.309 122.853 120.570 -0.043 0.000 2.505 372 I HA 0.014 4.176 4.170 -0.014 0.000 0.287 372 I C -1.597 174.503 176.117 -0.028 0.000 1.104 372 I CA -2.128 59.157 61.300 -0.025 0.000 1.387 372 I CB 0.449 38.438 38.000 -0.018 0.000 1.404 372 I HN -0.060 nan 8.210 nan 0.000 0.528 373 P HA -0.295 nan 4.420 nan 0.000 0.224 373 P C 1.843 179.118 177.300 -0.040 0.000 1.153 373 P CA 1.359 64.423 63.100 -0.061 0.000 0.947 373 P CB 0.141 31.787 31.700 -0.089 0.000 0.790 374 V N -1.193 118.704 119.914 -0.028 0.000 2.913 374 V HA -0.110 4.001 4.120 -0.014 0.000 0.260 374 V C 1.260 177.432 176.094 0.129 0.000 1.098 374 V CA 1.827 64.153 62.300 0.043 0.000 1.121 374 V CB -0.906 30.945 31.823 0.047 0.000 0.714 374 V HN 0.131 nan 8.190 nan 0.000 0.487 375 N N -1.115 117.615 118.700 0.049 0.000 2.205 375 N HA 0.127 4.858 4.740 -0.014 0.000 0.201 375 N C 0.178 175.712 175.510 0.039 0.000 1.128 375 N CA 0.245 53.290 53.050 -0.008 0.000 0.867 375 N CB 0.185 38.635 38.487 -0.062 0.000 0.996 375 N HN 0.488 nan 8.380 nan 0.000 0.503 376 C N 3.084 122.461 119.300 0.128 0.000 2.527 376 C HA 0.378 4.829 4.460 -0.014 0.000 0.396 376 C C -2.067 173.082 174.990 0.265 0.000 1.289 376 C CA -1.469 57.625 59.018 0.125 0.000 2.047 376 C CB 0.357 28.148 27.740 0.085 0.000 2.568 376 C HN 0.177 nan 8.230 nan 0.000 0.573 377 P HA 0.134 nan 4.420 nan 0.000 0.244 377 P C -0.241 177.117 177.300 0.097 0.000 1.769 377 P CA 0.108 63.286 63.100 0.129 0.000 1.102 377 P CB -0.760 30.959 31.700 0.032 0.000 1.937 378 Y N 0.730 121.093 120.300 0.104 0.000 2.561 378 Y HA 0.197 4.737 4.550 -0.015 0.000 0.291 378 Y C 1.712 177.609 175.900 -0.005 0.000 1.141 378 Y CA 0.301 58.398 58.100 -0.005 0.000 1.303 378 Y CB -0.447 37.959 38.460 -0.089 0.000 1.015 378 Y HN -0.083 nan 8.280 nan 0.000 0.547 379 R N 1.330 121.583 120.500 -0.412 0.000 2.334 379 R HA 0.465 4.797 4.340 -0.014 0.000 0.220 379 R C -0.210 176.030 176.300 -0.100 0.000 0.917 379 R CA 0.329 56.270 56.100 -0.265 0.000 1.073 379 R CB -0.136 29.963 30.300 -0.334 0.000 1.056 379 R HN 0.492 nan 8.270 nan 0.000 0.506 380 A N -0.636 122.149 122.820 -0.058 0.000 2.437 380 A HA 0.705 5.016 4.320 -0.014 0.000 0.288 380 A C -1.164 176.411 177.584 -0.015 0.000 1.201 380 A CA -0.748 51.272 52.037 -0.028 0.000 0.795 380 A CB 1.209 20.196 19.000 -0.023 0.000 1.359 380 A HN 0.151 nan 8.150 nan 0.000 0.435 381 R N 0.715 121.204 120.500 -0.018 0.000 2.435 381 R HA 0.505 4.836 4.340 -0.014 0.000 0.308 381 R C -1.828 174.452 176.300 -0.034 0.000 0.975 381 R CA -0.334 55.753 56.100 -0.021 0.000 0.867 381 R CB 1.317 31.604 30.300 -0.022 0.000 1.171 381 R HN 0.493 nan 8.270 nan 0.000 0.470 382 V N 3.850 123.741 119.914 -0.039 0.000 2.446 382 V HA 0.324 4.435 4.120 -0.014 0.000 0.276 382 V C 0.210 176.254 176.094 -0.083 0.000 1.030 382 V CA 0.083 62.349 62.300 -0.056 0.000 1.033 382 V CB 0.827 32.620 31.823 -0.051 0.000 0.993 382 V HN 0.805 nan 8.190 nan 0.000 0.477 383 A N 6.506 129.260 122.820 -0.110 0.000 2.446 383 A HA 0.764 5.075 4.320 -0.014 0.000 0.282 383 A C -0.211 177.228 177.584 -0.241 0.000 1.102 383 A CA -0.667 51.267 52.037 -0.171 0.000 0.737 383 A CB 0.848 19.755 19.000 -0.156 0.000 1.212 383 A HN 0.920 nan 8.150 nan 0.000 0.434 384 N N -0.089 118.414 118.700 -0.329 0.000 3.449 384 N HA 0.348 5.079 4.740 -0.014 0.000 0.312 384 N C -0.964 174.221 175.510 -0.541 0.000 1.582 384 N CA -0.640 52.208 53.050 -0.337 0.000 0.850 384 N CB 0.621 39.045 38.487 -0.105 0.000 1.822 384 N HN 0.230 nan 8.380 nan 0.000 0.577 385 Y N -0.027 120.239 120.300 -0.058 0.000 2.607 385 Y HA 0.225 4.766 4.550 -0.015 0.000 0.266 385 Y C 0.142 176.046 175.900 0.007 0.000 1.178 385 Y CA -0.545 57.548 58.100 -0.012 0.000 1.226 385 Y CB 0.266 38.731 38.460 0.008 0.000 1.144 385 Y HN 0.253 nan 8.280 nan 0.000 0.528 386 Q N 1.384 121.221 119.800 0.062 0.000 2.267 386 Q HA 0.549 4.880 4.340 -0.014 0.000 0.255 386 Q C -0.299 175.713 176.000 0.019 0.000 0.923 386 Q CA -0.460 55.370 55.803 0.045 0.000 0.925 386 Q CB 1.595 30.348 28.738 0.025 0.000 1.195 386 Q HN 0.095 nan 8.270 nan 0.000 0.417 387 R N 1.812 122.331 120.500 0.032 0.000 2.808 387 R HA 0.410 4.741 4.340 -0.014 0.000 0.272 387 R C -0.583 175.729 176.300 0.020 0.000 0.995 387 R CA -0.577 55.537 56.100 0.022 0.000 0.917 387 R CB 1.157 31.480 30.300 0.037 0.000 1.217 387 R HN 0.762 nan 8.270 nan 0.000 0.471 388 D N -0.230 120.178 120.400 0.013 0.000 3.496 388 D HA -0.156 4.476 4.640 -0.014 0.000 0.238 388 D C 0.220 176.529 176.300 0.014 0.000 1.707 388 D CA 2.050 56.059 54.000 0.014 0.000 1.150 388 D CB -0.881 39.932 40.800 0.022 0.000 0.759 388 D HN 0.889 nan 8.370 nan 0.000 0.936 389 G N -1.276 107.535 108.800 0.019 0.000 2.692 389 G HA2 0.137 4.088 3.960 -0.014 0.000 0.686 389 G HA3 0.137 4.088 3.960 -0.014 0.000 0.686 389 G C -2.809 172.103 174.900 0.019 0.000 1.243 389 G CA -0.414 44.700 45.100 0.022 0.000 0.782 389 G HN 0.489 nan 8.290 nan 0.000 0.625 390 P HA 0.212 nan 4.420 nan 0.000 0.269 390 P C 1.025 178.338 177.300 0.020 0.000 1.205 390 P CA 0.161 63.274 63.100 0.022 0.000 0.780 390 P CB 0.194 31.910 31.700 0.027 0.000 0.858 391 M N -1.645 117.966 119.600 0.018 0.000 2.176 391 M HA -0.193 4.278 4.480 -0.014 0.000 0.186 391 M C -0.062 176.244 176.300 0.010 0.000 0.619 391 M CA 0.364 55.675 55.300 0.018 0.000 0.438 391 M CB -2.497 30.118 32.600 0.025 0.000 1.020 391 M HN 0.412 nan 8.290 nan 0.000 0.920 392 C N 2.073 121.376 119.300 0.006 0.000 2.383 392 C HA 0.296 4.747 4.460 -0.014 0.000 0.350 392 C C 1.790 176.777 174.990 -0.005 0.000 1.173 392 C CA -0.679 58.337 59.018 -0.003 0.000 1.645 392 C CB -0.081 27.657 27.740 -0.002 0.000 2.221 392 C HN 0.657 nan 8.230 nan 0.000 0.528 393 M N 4.575 124.169 119.600 -0.010 0.000 2.334 393 M HA 0.118 4.589 4.480 -0.014 0.000 0.266 393 M C 1.365 177.656 176.300 -0.015 0.000 1.082 393 M CA 1.237 56.531 55.300 -0.010 0.000 1.141 393 M CB -0.723 31.870 32.600 -0.012 0.000 1.380 393 M HN 0.651 nan 8.290 nan 0.000 0.440 394 M N 0.904 120.492 119.600 -0.021 0.000 1.703 394 M HA 0.012 4.483 4.480 -0.014 0.000 0.160 394 M C 1.287 177.575 176.300 -0.020 0.000 1.205 394 M CA 0.367 55.653 55.300 -0.023 0.000 0.775 394 M CB -0.835 31.747 32.600 -0.030 0.000 1.051 394 M HN 0.159 nan 8.290 nan 0.000 0.417 395 D N -0.203 120.184 120.400 -0.022 0.000 2.363 395 D HA -0.112 4.519 4.640 -0.014 0.000 0.226 395 D C 0.365 176.653 176.300 -0.020 0.000 1.020 395 D CA 0.150 54.139 54.000 -0.019 0.000 0.892 395 D CB -0.878 39.910 40.800 -0.020 0.000 0.900 395 D HN 0.829 nan 8.370 nan 0.000 0.531 396 N N 1.365 120.051 118.700 -0.023 0.000 2.721 396 N HA -0.311 4.420 4.740 -0.014 0.000 0.249 396 N C -0.746 174.745 175.510 -0.031 0.000 1.072 396 N CA 0.647 53.682 53.050 -0.025 0.000 0.710 396 N CB -0.890 37.588 38.487 -0.015 0.000 0.993 396 N HN 0.383 nan 8.380 nan 0.000 0.547 397 Q N -2.979 116.796 119.800 -0.041 0.000 2.481 397 Q HA -0.271 4.061 4.340 -0.014 0.000 0.272 397 Q C 1.101 177.075 176.000 -0.043 0.000 1.157 397 Q CA 1.013 56.784 55.803 -0.053 0.000 0.935 397 Q CB -2.039 26.649 28.738 -0.083 0.000 1.338 397 Q HN 0.917 nan 8.270 nan 0.000 0.494 398 G N -0.392 108.390 108.800 -0.030 0.000 2.574 398 G HA2 -0.328 3.623 3.960 -0.014 0.000 0.286 398 G HA3 -0.328 3.623 3.960 -0.014 0.000 0.286 398 G C 0.474 175.362 174.900 -0.019 0.000 1.212 398 G CA 0.247 45.333 45.100 -0.023 0.000 0.979 398 G HN 0.964 nan 8.290 nan 0.000 0.557 399 G N 0.414 109.202 108.800 -0.019 0.000 3.523 399 G HA2 0.664 4.615 3.960 -0.014 0.000 0.270 399 G HA3 0.664 4.615 3.960 -0.014 0.000 0.270 399 G C 0.539 175.427 174.900 -0.021 0.000 1.134 399 G CA 1.220 46.310 45.100 -0.018 0.000 0.825 399 G HN 1.784 nan 8.290 nan 0.000 0.534 400 A N 1.363 124.168 122.820 -0.025 0.000 2.454 400 A HA 0.571 4.883 4.320 -0.014 0.000 0.260 400 A C -1.855 175.727 177.584 -0.003 0.000 1.106 400 A CA -0.989 51.032 52.037 -0.028 0.000 0.780 400 A CB -0.008 18.955 19.000 -0.062 0.000 1.044 400 A HN 0.209 nan 8.150 nan 0.000 0.498 401 P HA -0.138 nan 4.420 nan 0.000 0.260 401 P C 0.356 177.758 177.300 0.170 0.000 1.147 401 P CA 1.029 64.177 63.100 0.079 0.000 0.758 401 P CB 0.150 31.860 31.700 0.018 0.000 0.744 402 N N 2.202 121.067 118.700 0.275 0.000 2.214 402 N HA 0.029 4.760 4.740 -0.014 0.000 0.214 402 N C -0.369 175.430 175.510 0.482 0.000 1.132 402 N CA -0.595 52.671 53.050 0.360 0.000 0.856 402 N CB 0.106 38.720 38.487 0.212 0.000 1.020 402 N HN 0.457 nan 8.380 nan 0.000 0.509 403 Y N -2.031 118.424 120.300 0.260 0.000 2.524 403 Y HA 0.647 5.187 4.550 -0.015 0.000 0.344 403 Y C -1.651 174.158 175.900 -0.151 0.000 1.012 403 Y CA -1.703 56.428 58.100 0.052 0.000 1.068 403 Y CB 1.048 39.534 38.460 0.043 0.000 1.249 403 Y HN -0.090 nan 8.280 nan 0.000 0.468 404 Y N 4.863 124.847 120.300 -0.526 0.000 2.346 404 Y HA 0.617 5.158 4.550 -0.014 0.000 0.332 404 Y C -2.496 173.259 175.900 -0.241 0.000 0.985 404 Y CA -2.580 55.125 58.100 -0.658 0.000 1.112 404 Y CB 1.568 39.373 38.460 -1.090 0.000 1.170 404 Y HN 0.792 nan 8.280 nan 0.000 0.447 405 P HA 0.437 nan 4.420 nan 0.000 0.281 405 P C -1.727 175.352 177.300 -0.370 0.000 1.281 405 P CA -0.637 61.973 63.100 -0.816 0.000 0.811 405 P CB 1.791 33.029 31.700 -0.768 0.000 1.154 406 N N -2.254 116.263 118.700 -0.304 0.000 2.405 406 N HA 0.084 4.815 4.740 -0.014 0.000 0.274 406 N C -0.692 174.776 175.510 -0.071 0.000 1.170 406 N CA -0.737 52.212 53.050 -0.167 0.000 0.848 406 N CB 1.217 39.404 38.487 -0.500 0.000 1.629 406 N HN 0.214 nan 8.380 nan 0.000 0.481 407 S N 0.782 116.423 115.700 -0.098 0.000 2.859 407 S HA 0.218 4.679 4.470 -0.014 0.000 0.245 407 S C -0.419 173.896 174.600 -0.475 0.000 1.008 407 S CA -0.281 57.714 58.200 -0.341 0.000 1.089 407 S CB -1.120 61.767 63.200 -0.520 0.000 0.798 407 S HN 0.531 nan 8.310 nan 0.000 0.477 408 F N 0.515 120.461 119.950 -0.007 0.000 2.815 408 F HA 0.293 4.811 4.527 -0.014 0.000 0.323 408 F C 0.914 176.720 175.800 0.010 0.000 1.151 408 F CA -0.586 57.420 58.000 0.010 0.000 1.191 408 F CB 0.060 39.076 39.000 0.027 0.000 1.069 408 F HN 0.093 nan 8.300 nan 0.000 0.514 409 S N 0.462 116.246 115.700 0.140 0.000 3.490 409 S HA -0.170 4.292 4.470 -0.014 0.000 0.301 409 S C 0.626 175.282 174.600 0.093 0.000 1.233 409 S CA 0.216 58.471 58.200 0.092 0.000 0.914 409 S CB -1.632 61.608 63.200 0.068 0.000 1.047 409 S HN 0.562 nan 8.310 nan 0.000 0.602 410 A N 1.464 124.363 122.820 0.131 0.000 2.346 410 A HA 0.613 4.924 4.320 -0.014 0.000 0.252 410 A C -1.605 176.054 177.584 0.125 0.000 1.089 410 A CA -1.108 50.990 52.037 0.103 0.000 0.797 410 A CB -0.300 18.788 19.000 0.147 0.000 1.047 410 A HN 0.235 nan 8.150 nan 0.000 0.494 411 P HA 0.063 nan 4.420 nan 0.000 0.268 411 P C -0.439 176.896 177.300 0.059 0.000 1.189 411 P CA 0.554 63.631 63.100 -0.039 0.000 0.771 411 P CB 0.312 31.873 31.700 -0.232 0.000 0.822 412 E N 0.603 120.808 120.200 0.009 0.000 2.343 412 E HA 0.252 4.593 4.350 -0.014 0.000 0.270 412 E C -0.361 176.231 176.600 -0.015 0.000 0.895 412 E CA -0.704 55.703 56.400 0.011 0.000 0.767 412 E CB 1.296 31.045 29.700 0.082 0.000 1.248 412 E HN 0.605 nan 8.360 nan 0.000 0.440 413 H N -0.190 118.933 119.070 0.089 0.000 2.551 413 H HA 0.384 4.932 4.556 -0.015 0.000 0.358 413 H C -0.414 174.952 175.328 0.062 0.000 1.151 413 H CA -0.749 55.326 56.048 0.046 0.000 1.374 413 H CB 0.539 30.336 29.762 0.058 0.000 1.473 413 H HN 0.337 nan 8.280 nan 0.000 0.574 414 Q N 2.703 122.642 119.800 0.232 0.000 2.327 414 Q HA 0.337 4.668 4.340 -0.014 0.000 0.270 414 Q C -2.366 173.674 176.000 0.067 0.000 1.022 414 Q CA -1.952 53.930 55.803 0.132 0.000 0.773 414 Q CB 1.859 30.648 28.738 0.085 0.000 1.251 414 Q HN 0.432 nan 8.270 nan 0.000 0.457 415 P HA -0.183 nan 4.420 nan 0.000 0.218 415 P C 0.784 178.088 177.300 0.007 0.000 1.148 415 P CA 1.526 64.628 63.100 0.005 0.000 0.822 415 P CB 0.244 31.951 31.700 0.012 0.000 0.784 416 S N -1.513 114.198 115.700 0.018 0.000 2.641 416 S HA 0.058 4.519 4.470 -0.014 0.000 0.239 416 S C 1.478 176.087 174.600 0.016 0.000 0.972 416 S CA 0.797 59.006 58.200 0.016 0.000 0.954 416 S CB -0.841 62.370 63.200 0.017 0.000 0.767 416 S HN 0.124 nan 8.310 nan 0.000 0.539 417 A N 0.250 123.079 122.820 0.015 0.000 2.508 417 A HA 0.527 4.838 4.320 -0.014 0.000 0.250 417 A C 0.576 178.170 177.584 0.016 0.000 1.208 417 A CA -0.537 51.510 52.037 0.017 0.000 0.960 417 A CB 0.031 19.043 19.000 0.020 0.000 1.099 417 A HN 0.482 nan 8.150 nan 0.000 0.542 418 L N 1.290 122.517 121.223 0.006 0.000 2.516 418 L HA 0.039 4.370 4.340 -0.014 0.000 0.288 418 L C 0.474 177.364 176.870 0.032 0.000 1.246 418 L CA -0.074 54.768 54.840 0.004 0.000 0.844 418 L CB 0.293 42.345 42.059 -0.011 0.000 1.106 418 L HN 0.367 nan 8.230 nan 0.000 0.509 419 E N -0.417 119.810 120.200 0.045 0.000 2.351 419 E HA 0.150 4.491 4.350 -0.014 0.000 0.255 419 E C -0.686 175.979 176.600 0.108 0.000 1.188 419 E CA -0.412 56.038 56.400 0.084 0.000 0.940 419 E CB 0.347 30.099 29.700 0.087 0.000 1.094 419 E HN 0.438 nan 8.360 nan 0.000 0.474 420 H N 0.361 119.455 119.070 0.040 0.000 2.620 420 H HA 0.195 4.742 4.556 -0.015 0.000 0.313 420 H C -0.312 175.047 175.328 0.051 0.000 1.075 420 H CA -0.573 55.493 56.048 0.029 0.000 1.397 420 H CB 0.658 30.432 29.762 0.020 0.000 1.446 420 H HN 0.195 nan 8.280 nan 0.000 0.493 421 R N 4.262 124.521 120.500 -0.403 0.000 2.421 421 R HA 0.120 4.451 4.340 -0.014 0.000 0.305 421 R C -0.733 175.296 176.300 -0.452 0.000 1.039 421 R CA 0.516 56.423 56.100 -0.321 0.000 1.003 421 R CB 0.239 30.384 30.300 -0.258 0.000 0.959 421 R HN 0.779 nan 8.270 nan 0.000 0.427 422 T N 2.709 117.186 114.554 -0.130 0.000 2.894 422 T HA 0.171 4.512 4.350 -0.014 0.000 0.309 422 T C -1.743 172.907 174.700 -0.085 0.000 1.208 422 T CA -0.660 61.405 62.100 -0.057 0.000 1.016 422 T CB 1.085 70.008 68.868 0.092 0.000 1.192 422 T HN 0.672 nan 8.240 nan 0.000 0.491 423 H N 3.476 122.377 119.070 -0.281 0.000 2.505 423 H HA 0.569 5.116 4.556 -0.014 0.000 0.338 423 H C -1.704 173.360 175.328 -0.441 0.000 1.057 423 H CA -0.550 55.368 56.048 -0.217 0.000 1.202 423 H CB 0.624 30.314 29.762 -0.120 0.000 1.466 423 H HN 0.501 nan 8.280 nan 0.000 0.499 424 F N 2.334 121.972 119.950 -0.520 0.000 2.529 424 F HA 0.259 4.778 4.527 -0.013 0.000 0.320 424 F C 0.181 175.732 175.800 -0.415 0.000 1.118 424 F CA -0.720 57.083 58.000 -0.328 0.000 0.915 424 F CB 2.299 41.198 39.000 -0.169 0.000 1.161 424 F HN 0.356 nan 8.300 nan 0.000 0.445 425 S N 2.389 118.072 115.700 -0.028 0.000 2.561 425 S HA 0.927 5.389 4.470 -0.014 0.000 0.303 425 S C -0.425 174.204 174.600 0.048 0.000 1.110 425 S CA 0.041 58.249 58.200 0.012 0.000 1.034 425 S CB 1.271 64.538 63.200 0.112 0.000 1.010 425 S HN 1.188 nan 8.310 nan 0.000 0.482 426 G N 2.952 111.781 108.800 0.048 0.000 2.323 426 G HA2 0.275 4.227 3.960 -0.014 0.000 0.291 426 G HA3 0.275 4.227 3.960 -0.014 0.000 0.291 426 G C -2.271 172.684 174.900 0.092 0.000 1.278 426 G CA -0.741 44.393 45.100 0.056 0.000 0.860 426 G HN 0.570 nan 8.290 nan 0.000 0.504 427 D N 0.081 120.580 120.400 0.164 0.000 2.210 427 D HA 0.454 5.085 4.640 -0.014 0.000 0.249 427 D C 0.369 176.803 176.300 0.223 0.000 1.078 427 D CA -0.152 53.963 54.000 0.191 0.000 0.875 427 D CB 2.057 42.986 40.800 0.215 0.000 1.175 427 D HN 0.193 nan 8.370 nan 0.000 0.440 428 V N 3.568 123.553 119.914 0.119 0.000 2.390 428 V HA 0.110 4.221 4.120 -0.014 0.000 0.260 428 V C 0.451 176.578 176.094 0.055 0.000 1.043 428 V CA 0.529 62.886 62.300 0.093 0.000 1.047 428 V CB -0.289 31.559 31.823 0.042 0.000 1.066 428 V HN 0.483 nan 8.190 nan 0.000 0.481 429 Q N 4.947 124.790 119.800 0.072 0.000 2.707 429 Q HA 0.555 4.886 4.340 -0.014 0.000 0.307 429 Q C -1.196 174.632 176.000 -0.286 0.000 0.934 429 Q CA -1.076 54.586 55.803 -0.236 0.000 0.753 429 Q CB 1.973 30.399 28.738 -0.519 0.000 1.478 429 Q HN 0.600 nan 8.270 nan 0.000 0.458 430 R N 1.416 121.650 120.500 -0.443 0.000 2.287 430 R HA 0.344 4.676 4.340 -0.014 0.000 0.316 430 R C -1.219 174.853 176.300 -0.380 0.000 1.050 430 R CA -0.319 55.638 56.100 -0.239 0.000 0.983 430 R CB 0.456 30.676 30.300 -0.133 0.000 1.140 430 R HN 0.306 nan 8.270 nan 0.000 0.528 431 F N 1.761 121.712 119.950 0.003 0.000 2.472 431 F HA 0.092 4.610 4.527 -0.015 0.000 0.364 431 F C 1.348 177.157 175.800 0.014 0.000 1.090 431 F CA -0.370 57.636 58.000 0.011 0.000 1.188 431 F CB 0.203 39.212 39.000 0.015 0.000 1.105 431 F HN 0.354 nan 8.300 nan 0.000 0.536 432 N N 1.182 119.946 118.700 0.107 0.000 2.305 432 N HA -0.024 4.707 4.740 -0.014 0.000 0.232 432 N C 0.395 175.972 175.510 0.111 0.000 1.274 432 N CA 0.682 53.779 53.050 0.080 0.000 0.870 432 N CB 0.654 39.171 38.487 0.050 0.000 1.105 432 N HN 0.655 nan 8.380 nan 0.000 0.436 433 S N -1.157 114.590 115.700 0.078 0.000 2.874 433 S HA 0.264 4.726 4.470 -0.014 0.000 0.257 433 S C 0.982 175.608 174.600 0.043 0.000 0.975 433 S CA 0.025 58.269 58.200 0.074 0.000 1.326 433 S CB -0.210 63.040 63.200 0.083 0.000 1.215 433 S HN 0.536 nan 8.310 nan 0.000 0.679 434 A N 2.886 125.727 122.820 0.033 0.000 1.969 434 A HA 0.071 4.383 4.320 -0.014 0.000 0.218 434 A C 1.759 179.346 177.584 0.004 0.000 1.169 434 A CA 1.165 53.207 52.037 0.008 0.000 0.635 434 A CB -0.407 18.593 19.000 -0.001 0.000 0.810 434 A HN 0.491 nan 8.150 nan 0.000 0.445 435 N N 0.688 119.400 118.700 0.019 0.000 2.230 435 N HA 0.035 4.766 4.740 -0.014 0.000 0.202 435 N C -0.802 174.722 175.510 0.022 0.000 1.119 435 N CA -0.035 53.024 53.050 0.015 0.000 0.851 435 N CB 0.042 38.538 38.487 0.016 0.000 0.990 435 N HN 0.362 nan 8.380 nan 0.000 0.497 436 D N 1.408 121.826 120.400 0.030 0.000 2.429 436 D HA -0.112 4.520 4.640 -0.014 0.000 0.233 436 D C 0.387 176.697 176.300 0.017 0.000 1.202 436 D CA 0.534 54.556 54.000 0.037 0.000 0.879 436 D CB 0.585 41.411 40.800 0.042 0.000 1.212 436 D HN 0.068 nan 8.370 nan 0.000 0.465 437 D N 0.425 120.845 120.400 0.034 0.000 2.451 437 D HA -0.062 4.569 4.640 -0.014 0.000 0.254 437 D C 0.229 176.496 176.300 -0.054 0.000 1.204 437 D CA 0.388 54.402 54.000 0.023 0.000 0.896 437 D CB -0.088 40.788 40.800 0.126 0.000 1.136 437 D HN 0.289 nan 8.370 nan 0.000 0.499 438 N N 2.092 120.760 118.700 -0.053 0.000 2.299 438 N HA 0.014 4.745 4.740 -0.014 0.000 0.187 438 N C 1.228 176.683 175.510 -0.092 0.000 1.099 438 N CA 0.254 53.252 53.050 -0.086 0.000 0.867 438 N CB 0.876 39.318 38.487 -0.076 0.000 0.974 438 N HN 0.373 nan 8.380 nan 0.000 0.477 439 V N -4.391 115.488 119.914 -0.058 0.000 3.371 439 V HA 0.185 4.296 4.120 -0.014 0.000 0.246 439 V C 1.817 177.895 176.094 -0.027 0.000 1.303 439 V CA 0.231 62.516 62.300 -0.026 0.000 1.156 439 V CB -0.151 31.695 31.823 0.037 0.000 0.929 439 V HN -0.064 nan 8.190 nan 0.000 0.459 440 T N 1.484 116.037 114.554 -0.003 0.000 2.469 440 T HA -0.324 4.018 4.350 -0.014 0.000 0.254 440 T C 1.889 176.592 174.700 0.006 0.000 1.214 440 T CA 3.055 65.189 62.100 0.057 0.000 1.202 440 T CB -0.660 68.321 68.868 0.187 0.000 0.864 440 T HN 0.648 nan 8.240 nan 0.000 0.408 441 Q N 0.387 120.131 119.800 -0.093 0.000 2.242 441 Q HA -0.162 4.170 4.340 -0.014 0.000 0.211 441 Q C 2.528 178.418 176.000 -0.183 0.000 0.992 441 Q CA 1.655 57.364 55.803 -0.156 0.000 0.889 441 Q CB -0.811 27.724 28.738 -0.338 0.000 0.913 441 Q HN 0.463 nan 8.270 nan 0.000 0.422 442 V N 0.560 120.306 119.914 -0.280 0.000 2.270 442 V HA -0.272 3.840 4.120 -0.014 0.000 0.245 442 V C 2.337 178.576 176.094 0.242 0.000 1.043 442 V CA 2.076 64.357 62.300 -0.032 0.000 1.014 442 V CB -0.767 31.057 31.823 0.002 0.000 0.645 442 V HN 0.296 nan 8.190 nan 0.000 0.447 443 R N 0.389 120.996 120.500 0.179 0.000 2.112 443 R HA -0.272 4.060 4.340 -0.014 0.000 0.242 443 R C 2.621 179.010 176.300 0.147 0.000 1.137 443 R CA 2.699 58.916 56.100 0.195 0.000 0.944 443 R CB -0.851 29.532 30.300 0.138 0.000 0.857 443 R HN 0.663 nan 8.270 nan 0.000 0.435 444 T N -0.707 113.923 114.554 0.126 0.000 2.652 444 T HA -0.256 4.085 4.350 -0.014 0.000 0.267 444 T C 1.709 176.484 174.700 0.126 0.000 1.039 444 T CA 1.726 63.886 62.100 0.099 0.000 1.153 444 T CB -0.598 68.343 68.868 0.120 0.000 0.863 444 T HN 0.401 nan 8.240 nan 0.000 0.428 445 F N 0.855 120.871 119.950 0.110 0.000 2.063 445 F HA -0.238 4.281 4.527 -0.014 0.000 0.298 445 F C 2.128 178.005 175.800 0.128 0.000 1.105 445 F CA 2.191 60.292 58.000 0.169 0.000 1.215 445 F CB -1.037 38.163 39.000 0.333 0.000 0.972 445 F HN 0.410 nan 8.300 nan 0.000 0.483 446 Y N -0.104 120.137 120.300 -0.099 0.000 2.571 446 Y HA -0.001 4.541 4.550 -0.014 0.000 0.294 446 Y C 1.613 177.329 175.900 -0.307 0.000 1.141 446 Y CA 0.905 58.799 58.100 -0.343 0.000 1.308 446 Y CB 0.054 38.313 38.460 -0.335 0.000 1.002 446 Y HN 0.167 nan 8.280 nan 0.000 0.551 447 L N -0.103 120.945 121.223 -0.292 0.000 2.388 447 L HA 0.011 4.343 4.340 -0.014 0.000 0.209 447 L C 1.663 178.374 176.870 -0.266 0.000 1.061 447 L CA 0.513 55.134 54.840 -0.366 0.000 0.834 447 L CB -0.077 41.807 42.059 -0.292 0.000 1.029 447 L HN 0.103 nan 8.230 nan 0.000 0.473 448 K N -0.984 119.306 120.400 -0.184 0.000 2.373 448 K HA 0.208 4.519 4.320 -0.014 0.000 0.200 448 K C 1.372 177.900 176.600 -0.120 0.000 1.054 448 K CA 0.372 56.585 56.287 -0.124 0.000 1.065 448 K CB 0.833 33.303 32.500 -0.051 0.000 0.886 448 K HN 0.055 nan 8.250 nan 0.000 0.546 449 V N 1.420 121.217 119.914 -0.196 0.000 3.379 449 V HA 0.217 4.329 4.120 -0.014 0.000 0.249 449 V C 0.804 176.720 176.094 -0.296 0.000 1.184 449 V CA 0.187 62.374 62.300 -0.187 0.000 1.106 449 V CB 0.337 32.107 31.823 -0.089 0.000 0.826 449 V HN 0.291 nan 8.190 nan 0.000 0.465 450 L N 0.666 121.644 121.223 -0.408 0.000 2.354 450 L HA 0.563 4.894 4.340 -0.014 0.000 0.269 450 L C 0.245 176.961 176.870 -0.257 0.000 1.005 450 L CA -0.660 53.965 54.840 -0.358 0.000 0.819 450 L CB 1.971 43.678 42.059 -0.586 0.000 1.311 450 L HN 0.316 nan 8.230 nan 0.000 0.423 451 N N 1.758 120.355 118.700 -0.172 0.000 2.483 451 N HA 0.098 4.829 4.740 -0.014 0.000 0.278 451 N C 0.441 175.862 175.510 -0.148 0.000 1.355 451 N CA 0.144 53.109 53.050 -0.140 0.000 0.896 451 N CB -0.039 38.393 38.487 -0.091 0.000 1.100 451 N HN 0.687 nan 8.380 nan 0.000 0.460 452 E N -1.517 118.622 120.200 -0.101 0.000 2.330 452 E HA 0.114 4.455 4.350 -0.014 0.000 0.200 452 E C 1.338 177.908 176.600 -0.051 0.000 0.922 452 E CA 0.259 56.603 56.400 -0.092 0.000 0.935 452 E CB -0.171 29.482 29.700 -0.078 0.000 0.917 452 E HN 0.441 nan 8.360 nan 0.000 0.491 453 E N 0.938 121.116 120.200 -0.038 0.000 2.038 453 E HA -0.189 4.153 4.350 -0.014 0.000 0.195 453 E C 1.965 178.566 176.600 0.001 0.000 1.000 453 E CA 1.276 57.668 56.400 -0.013 0.000 0.803 453 E CB -0.163 29.530 29.700 -0.012 0.000 0.750 453 E HN 0.398 nan 8.360 nan 0.000 0.448 454 Q N 0.002 119.796 119.800 -0.010 0.000 2.096 454 Q HA -0.117 4.215 4.340 -0.014 0.000 0.204 454 Q C 2.289 178.308 176.000 0.032 0.000 0.982 454 Q CA 1.252 57.059 55.803 0.006 0.000 0.850 454 Q CB -0.130 28.588 28.738 -0.034 0.000 0.901 454 Q HN 0.166 nan 8.270 nan 0.000 0.422 455 R N 0.855 121.353 120.500 -0.002 0.000 2.120 455 R HA -0.139 4.193 4.340 -0.014 0.000 0.234 455 R C 2.316 178.683 176.300 0.112 0.000 1.123 455 R CA 1.508 57.651 56.100 0.073 0.000 0.975 455 R CB -0.222 30.036 30.300 -0.070 0.000 0.866 455 R HN 0.316 nan 8.270 nan 0.000 0.446 456 K N 0.528 120.963 120.400 0.059 0.000 2.116 456 K HA -0.071 4.241 4.320 -0.014 0.000 0.203 456 K C 2.075 178.721 176.600 0.077 0.000 1.052 456 K CA 0.693 57.017 56.287 0.063 0.000 0.952 456 K CB -0.121 32.401 32.500 0.037 0.000 0.729 456 K HN -0.008 nan 8.250 nan 0.000 0.446 457 R N 0.971 121.516 120.500 0.076 0.000 2.070 457 R HA -0.109 4.222 4.340 -0.014 0.000 0.232 457 R C 2.592 178.970 176.300 0.130 0.000 1.138 457 R CA 1.738 57.895 56.100 0.094 0.000 0.936 457 R CB -0.581 29.767 30.300 0.079 0.000 0.839 457 R HN 0.345 nan 8.270 nan 0.000 0.429 458 L N 0.082 121.392 121.223 0.145 0.000 2.261 458 L HA -0.182 4.149 4.340 -0.014 0.000 0.216 458 L C 1.916 178.871 176.870 0.143 0.000 1.114 458 L CA 1.617 56.573 54.840 0.192 0.000 0.777 458 L CB -0.365 41.820 42.059 0.210 0.000 0.910 458 L HN 0.174 nan 8.230 nan 0.000 0.440 459 C N 0.090 119.455 119.300 0.107 0.000 2.576 459 C HA -0.010 4.442 4.460 -0.014 0.000 0.281 459 C C 2.548 177.567 174.990 0.049 0.000 1.292 459 C CA 0.765 59.813 59.018 0.049 0.000 1.697 459 C CB -0.692 27.087 27.740 0.064 0.000 2.109 459 C HN 0.633 nan 8.230 nan 0.000 0.497 460 E N 1.360 121.614 120.200 0.091 0.000 2.097 460 E HA -0.210 4.132 4.350 -0.014 0.000 0.196 460 E C 1.779 178.480 176.600 0.168 0.000 1.000 460 E CA 1.421 57.902 56.400 0.135 0.000 0.804 460 E CB -0.181 29.599 29.700 0.134 0.000 0.740 460 E HN 0.560 nan 8.360 nan 0.000 0.454 461 N N 0.652 119.459 118.700 0.178 0.000 2.039 461 N HA -0.133 4.598 4.740 -0.014 0.000 0.193 461 N C 1.941 177.601 175.510 0.250 0.000 1.044 461 N CA 1.002 54.213 53.050 0.269 0.000 0.847 461 N CB -0.380 38.304 38.487 0.329 0.000 1.030 461 N HN 0.142 nan 8.380 nan 0.000 0.422 462 I N 1.248 121.849 120.570 0.051 0.000 2.091 462 I HA -0.321 3.840 4.170 -0.014 0.000 0.239 462 I C 2.296 178.325 176.117 -0.147 0.000 1.061 462 I CA 1.591 62.677 61.300 -0.357 0.000 1.317 462 I CB -0.352 37.370 38.000 -0.464 0.000 1.031 462 I HN 0.108 nan 8.210 nan 0.000 0.401 463 A N 0.675 123.453 122.820 -0.069 0.000 1.898 463 A HA -0.106 4.205 4.320 -0.014 0.000 0.216 463 A C 2.436 180.035 177.584 0.025 0.000 1.181 463 A CA 1.669 53.698 52.037 -0.014 0.000 0.620 463 A CB -1.506 17.544 19.000 0.084 0.000 0.819 463 A HN 0.495 nan 8.150 nan 0.000 0.442 464 G N -1.485 107.363 108.800 0.079 0.000 2.517 464 G HA2 -0.352 3.599 3.960 -0.014 0.000 0.222 464 G HA3 -0.352 3.599 3.960 -0.014 0.000 0.222 464 G C 1.596 176.494 174.900 -0.003 0.000 1.109 464 G CA 1.477 46.539 45.100 -0.063 0.000 0.746 464 G HN 0.703 nan 8.290 nan 0.000 0.576 465 H N -0.542 118.574 119.070 0.076 0.000 2.516 465 H HA 0.166 4.713 4.556 -0.015 0.000 0.284 465 H C 2.260 177.674 175.328 0.143 0.000 0.999 465 H CA 0.460 56.631 56.048 0.205 0.000 1.303 465 H CB 0.054 30.129 29.762 0.521 0.000 1.452 465 H HN 0.226 nan 8.280 nan 0.000 0.530 466 L N 2.566 123.843 121.223 0.091 0.000 2.141 466 L HA -0.084 4.247 4.340 -0.014 0.000 0.209 466 L C 2.524 179.228 176.870 -0.277 0.000 1.094 466 L CA 1.855 56.430 54.840 -0.443 0.000 0.763 466 L CB -0.709 40.933 42.059 -0.695 0.000 0.908 466 L HN 0.315 nan 8.230 nan 0.000 0.437 467 K N -1.321 118.975 120.400 -0.173 0.000 2.160 467 K HA -0.197 4.114 4.320 -0.014 0.000 0.206 467 K C 0.999 177.526 176.600 -0.123 0.000 1.047 467 K CA 1.884 58.086 56.287 -0.143 0.000 0.930 467 K CB -0.478 31.873 32.500 -0.247 0.000 0.720 467 K HN 0.300 nan 8.250 nan 0.000 0.450 468 D N 0.979 121.303 120.400 -0.126 0.000 2.340 468 D HA 0.110 4.742 4.640 -0.014 0.000 0.220 468 D C 0.612 176.873 176.300 -0.063 0.000 1.039 468 D CA 0.512 54.452 54.000 -0.099 0.000 0.866 468 D CB 0.316 41.038 40.800 -0.129 0.000 0.913 468 D HN 0.438 nan 8.370 nan 0.000 0.523 469 A N 0.349 123.131 122.820 -0.063 0.000 2.267 469 A HA 0.231 4.543 4.320 -0.014 0.000 0.271 469 A C 0.541 178.076 177.584 -0.081 0.000 1.131 469 A CA -0.362 51.644 52.037 -0.052 0.000 0.818 469 A CB 0.511 19.494 19.000 -0.028 0.000 1.118 469 A HN -0.012 nan 8.150 nan 0.000 0.501 470 Q N -0.409 119.320 119.800 -0.118 0.000 2.373 470 Q HA 0.185 4.516 4.340 -0.014 0.000 0.255 470 Q C 0.956 176.910 176.000 -0.076 0.000 0.980 470 Q CA -0.349 55.408 55.803 -0.077 0.000 0.882 470 Q CB 0.681 29.372 28.738 -0.078 0.000 1.249 470 Q HN 0.685 nan 8.270 nan 0.000 0.438 471 L N 3.039 124.282 121.223 0.034 0.000 2.013 471 L HA -0.270 4.061 4.340 -0.014 0.000 0.212 471 L C 2.177 179.105 176.870 0.097 0.000 1.073 471 L CA 1.772 56.640 54.840 0.048 0.000 0.753 471 L CB -0.988 41.112 42.059 0.070 0.000 0.890 471 L HN 0.825 nan 8.230 nan 0.000 0.432 472 F N 0.337 120.289 119.950 0.005 0.000 2.037 472 F HA -0.323 4.195 4.527 -0.014 0.000 0.296 472 F C 2.390 178.198 175.800 0.012 0.000 1.132 472 F CA 1.588 59.593 58.000 0.008 0.000 1.211 472 F CB -1.354 37.654 39.000 0.013 0.000 0.951 472 F HN -0.114 nan 8.300 nan 0.000 0.503 473 I N 0.718 121.095 120.570 -0.320 0.000 2.145 473 I HA -0.370 3.791 4.170 -0.014 0.000 0.244 473 I C 2.722 178.769 176.117 -0.117 0.000 1.075 473 I CA 2.145 63.272 61.300 -0.290 0.000 1.332 473 I CB -0.861 36.888 38.000 -0.418 0.000 1.033 473 I HN 0.423 nan 8.210 nan 0.000 0.410 474 Q N 0.459 120.187 119.800 -0.120 0.000 2.020 474 Q HA -0.239 4.092 4.340 -0.014 0.000 0.202 474 Q C 2.242 178.205 176.000 -0.061 0.000 0.982 474 Q CA 1.379 57.105 55.803 -0.128 0.000 0.838 474 Q CB -0.215 28.451 28.738 -0.121 0.000 0.899 474 Q HN 0.202 nan 8.270 nan 0.000 0.423 475 K N 1.230 121.623 120.400 -0.012 0.000 2.071 475 K HA -0.247 4.064 4.320 -0.014 0.000 0.217 475 K C 1.853 178.458 176.600 0.009 0.000 1.054 475 K CA 1.891 58.187 56.287 0.014 0.000 0.937 475 K CB -0.335 32.197 32.500 0.054 0.000 0.719 475 K HN 0.102 nan 8.250 nan 0.000 0.454 476 K N -0.498 119.916 120.400 0.023 0.000 1.984 476 K HA -0.046 4.265 4.320 -0.014 0.000 0.209 476 K C 1.965 178.550 176.600 -0.026 0.000 1.046 476 K CA 1.326 57.621 56.287 0.014 0.000 0.934 476 K CB -0.370 32.160 32.500 0.050 0.000 0.717 476 K HN 0.111 nan 8.250 nan 0.000 0.438 477 A N 0.793 123.598 122.820 -0.025 0.000 1.882 477 A HA -0.256 4.056 4.320 -0.014 0.000 0.220 477 A C 2.310 179.847 177.584 -0.078 0.000 1.253 477 A CA 2.502 54.498 52.037 -0.069 0.000 0.664 477 A CB -1.309 17.603 19.000 -0.146 0.000 0.838 477 A HN 0.220 nan 8.150 nan 0.000 0.460 478 V N -0.015 119.894 119.914 -0.008 0.000 2.407 478 V HA -0.279 3.832 4.120 -0.014 0.000 0.248 478 V C 2.511 178.614 176.094 0.015 0.000 1.055 478 V CA 2.353 64.683 62.300 0.051 0.000 1.049 478 V CB -0.670 31.158 31.823 0.009 0.000 0.662 478 V HN 0.562 nan 8.190 nan 0.000 0.455 479 K N 0.067 120.456 120.400 -0.019 0.000 2.000 479 K HA -0.274 4.037 4.320 -0.014 0.000 0.218 479 K C 2.095 178.665 176.600 -0.050 0.000 1.053 479 K CA 2.164 58.437 56.287 -0.023 0.000 0.946 479 K CB -0.380 32.105 32.500 -0.025 0.000 0.723 479 K HN 0.446 nan 8.250 nan 0.000 0.446 480 N N 0.536 119.162 118.700 -0.124 0.000 2.027 480 N HA -0.213 4.518 4.740 -0.014 0.000 0.200 480 N C 1.765 177.137 175.510 -0.230 0.000 1.042 480 N CA 1.633 54.550 53.050 -0.221 0.000 0.871 480 N CB -0.840 37.416 38.487 -0.385 0.000 1.063 480 N HN 0.103 nan 8.380 nan 0.000 0.438 481 F N 1.416 121.245 119.950 -0.202 0.000 2.115 481 F HA -0.158 4.360 4.527 -0.014 0.000 0.300 481 F C 2.708 178.395 175.800 -0.189 0.000 1.092 481 F CA 0.905 58.681 58.000 -0.373 0.000 1.245 481 F CB -0.957 37.723 39.000 -0.534 0.000 0.995 481 F HN -0.009 nan 8.300 nan 0.000 0.481 482 S N -0.304 115.441 115.700 0.075 0.000 2.356 482 S HA -0.202 4.259 4.470 -0.014 0.000 0.223 482 S C 1.665 176.310 174.600 0.074 0.000 1.032 482 S CA 1.475 59.712 58.200 0.062 0.000 1.005 482 S CB -0.442 62.775 63.200 0.028 0.000 0.867 482 S HN 0.329 nan 8.310 nan 0.000 0.449 483 D N 0.688 121.113 120.400 0.043 0.000 2.239 483 D HA -0.110 4.521 4.640 -0.014 0.000 0.202 483 D C 1.895 178.257 176.300 0.105 0.000 0.993 483 D CA 1.154 55.183 54.000 0.049 0.000 0.874 483 D CB -0.409 40.393 40.800 0.003 0.000 0.922 483 D HN 0.408 nan 8.370 nan 0.000 0.464 484 V N -1.820 118.193 119.914 0.166 0.000 2.725 484 V HA 0.039 4.151 4.120 -0.014 0.000 0.247 484 V C 0.415 176.740 176.094 0.384 0.000 1.058 484 V CA 1.044 63.498 62.300 0.257 0.000 1.080 484 V CB 0.174 32.184 31.823 0.312 0.000 0.713 484 V HN 0.295 nan 8.190 nan 0.000 0.465 485 H N -0.338 118.898 119.070 0.277 0.000 3.156 485 H HA 0.242 4.789 4.556 -0.014 0.000 0.319 485 H C -2.632 172.844 175.328 0.247 0.000 1.067 485 H CA -0.334 55.878 56.048 0.273 0.000 1.417 485 H CB 2.403 32.385 29.762 0.366 0.000 2.050 485 H HN -0.050 nan 8.280 nan 0.000 0.473 486 P HA -0.232 nan 4.420 nan 0.000 0.216 486 P C 1.119 178.329 177.300 -0.149 0.000 1.150 486 P CA 1.456 64.450 63.100 -0.176 0.000 0.843 486 P CB 0.292 31.860 31.700 -0.220 0.000 0.787 487 E N -1.002 119.021 120.200 -0.295 0.000 2.208 487 E HA -0.175 4.166 4.350 -0.014 0.000 0.193 487 E C 2.072 178.827 176.600 0.260 0.000 0.988 487 E CA 0.299 56.721 56.400 0.038 0.000 0.828 487 E CB -0.477 29.307 29.700 0.141 0.000 0.763 487 E HN 0.319 nan 8.360 nan 0.000 0.478 488 Y N 0.521 120.925 120.300 0.175 0.000 2.133 488 Y HA -0.153 4.388 4.550 -0.014 0.000 0.287 488 Y C 2.295 178.133 175.900 -0.102 0.000 1.134 488 Y CA 1.084 59.145 58.100 -0.065 0.000 1.133 488 Y CB -0.233 38.076 38.460 -0.251 0.000 0.987 488 Y HN 0.182 nan 8.280 nan 0.000 0.502 489 G N -0.234 108.632 108.800 0.110 0.000 2.514 489 G HA2 -0.355 3.596 3.960 -0.014 0.000 0.217 489 G HA3 -0.355 3.596 3.960 -0.014 0.000 0.217 489 G C 1.642 176.541 174.900 -0.002 0.000 1.198 489 G CA 1.428 46.543 45.100 0.025 0.000 0.780 489 G HN 0.506 nan 8.290 nan 0.000 0.565 490 S N -0.231 115.479 115.700 0.016 0.000 2.527 490 S HA 0.160 4.621 4.470 -0.014 0.000 0.222 490 S C 2.049 176.654 174.600 0.008 0.000 0.985 490 S CA 0.251 58.453 58.200 0.004 0.000 0.921 490 S CB 0.070 63.269 63.200 -0.002 0.000 0.772 490 S HN 0.401 nan 8.310 nan 0.000 0.529 491 R N 0.656 121.177 120.500 0.036 0.000 2.115 491 R HA 0.235 4.566 4.340 -0.014 0.000 0.226 491 R C 1.914 178.210 176.300 -0.006 0.000 1.100 491 R CA 1.192 57.315 56.100 0.038 0.000 0.980 491 R CB -0.376 29.983 30.300 0.099 0.000 0.875 491 R HN 0.441 nan 8.270 nan 0.000 0.445 492 I N 0.235 120.780 120.570 -0.042 0.000 2.162 492 I HA -0.244 3.917 4.170 -0.014 0.000 0.238 492 I C 2.489 178.567 176.117 -0.066 0.000 1.076 492 I CA 1.034 62.277 61.300 -0.095 0.000 1.353 492 I CB -0.199 37.656 38.000 -0.241 0.000 1.063 492 I HN 0.071 nan 8.210 nan 0.000 0.408 493 Q N 1.135 120.903 119.800 -0.053 0.000 2.096 493 Q HA -0.261 4.071 4.340 -0.014 0.000 0.208 493 Q C 2.158 178.134 176.000 -0.039 0.000 0.993 493 Q CA 2.610 58.391 55.803 -0.038 0.000 0.862 493 Q CB -0.467 28.256 28.738 -0.025 0.000 0.915 493 Q HN 0.521 nan 8.270 nan 0.000 0.416 494 A N 0.225 123.022 122.820 -0.038 0.000 1.870 494 A HA -0.273 4.039 4.320 -0.014 0.000 0.219 494 A C 2.117 179.652 177.584 -0.081 0.000 1.224 494 A CA 2.027 54.035 52.037 -0.048 0.000 0.650 494 A CB -1.221 17.759 19.000 -0.034 0.000 0.836 494 A HN 0.481 nan 8.150 nan 0.000 0.454 495 L N -0.965 120.200 121.223 -0.096 0.000 2.046 495 L HA -0.186 4.145 4.340 -0.014 0.000 0.208 495 L C 2.644 179.419 176.870 -0.159 0.000 1.077 495 L CA 1.277 56.009 54.840 -0.179 0.000 0.747 495 L CB -0.542 41.455 42.059 -0.103 0.000 0.896 495 L HN 0.422 nan 8.230 nan 0.000 0.432 496 L N -0.698 120.518 121.223 -0.012 0.000 2.141 496 L HA -0.201 4.130 4.340 -0.014 0.000 0.209 496 L C 2.092 178.987 176.870 0.041 0.000 1.094 496 L CA 0.858 55.749 54.840 0.086 0.000 0.763 496 L CB -0.545 41.528 42.059 0.024 0.000 0.908 496 L HN 0.240 nan 8.230 nan 0.000 0.437 497 D N 0.493 120.882 120.400 -0.017 0.000 2.144 497 D HA -0.211 4.420 4.640 -0.014 0.000 0.199 497 D C 2.053 178.331 176.300 -0.036 0.000 0.984 497 D CA 1.267 55.255 54.000 -0.020 0.000 0.834 497 D CB -0.043 40.739 40.800 -0.031 0.000 0.955 497 D HN 0.328 nan 8.370 nan 0.000 0.465 498 K N -0.903 119.429 120.400 -0.114 0.000 2.486 498 K HA -0.090 4.221 4.320 -0.014 0.000 0.194 498 K C 1.183 177.701 176.600 -0.137 0.000 1.033 498 K CA 0.816 57.005 56.287 -0.162 0.000 1.004 498 K CB -0.033 32.312 32.500 -0.258 0.000 0.798 498 K HN 0.093 nan 8.250 nan 0.000 0.495 499 Y N 0.918 121.208 120.300 -0.015 0.000 2.314 499 Y HA 0.195 4.737 4.550 -0.014 0.000 0.294 499 Y C 1.030 176.921 175.900 -0.014 0.000 1.139 499 Y CA -0.470 57.621 58.100 -0.014 0.000 1.162 499 Y CB -0.617 37.831 38.460 -0.020 0.000 1.121 499 Y HN 0.072 nan 8.280 nan 0.000 0.529 500 N N 0.000 118.801 118.700 0.168 0.000 1.763 500 N HA 0.000 4.731 4.740 -0.014 0.000 0.220 500 N CA 0.000 53.098 53.050 0.079 0.000 0.885 500 N CB 0.000 38.521 38.487 0.057 0.000 1.341 500 N HN 0.000 nan 8.380 nan 0.000 0.667