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 3pm9_1_C DATA FIRST_RESID 11 DATA SEQUENCE TLSPELIARF TAIVGDKHAL TDPLELEAYI TEERNLYRGH SPLVLRPGST DATA SEQUENCE EEVVAICKLA NEARVALVPQ GGNTGLVGGQ TPHNGEVVIS LKRXDKIREI DATA SEQUENCE DTSSNTITVE AGAILQRVQE KAAEVDRLFP LSLGAQGSCT IGGNLSTNAG DATA SEQUENCE GTAALAYGLA RDXALGVEVV LADGRVXNLL SKLKKDNTGY DLRDLFIGAE DATA SEQUENCE GTLGIITAAT LKLFPKPRAV ETAFVGLQSP DDALKLLGIA QGEAAGNLTS DATA SEQUENCE FELIAETPLD FSVRHANNRD PLEARYPWYV LIELSSPRDD ARAALESILE DATA SEQUENCE RGFEDGIVVD AAIANSVQQQ QAFWKLREEI SPAQKPEGGS IKHDISVPVA DATA SEQUENCE AVPQFIEQAN AAVVALIPGA RPVPFGHLGD GNIHYNVSQP VGADKAEFLA DATA SEQUENCE RWHDVSQVVF EVVLRLGGSI SAEHGIGVXK RDELAEVKDK TAIELXRSIK DATA SEQUENCE ALLDPHGIXN PGKVV 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 11 T HA 0.000 nan 4.350 nan 0.000 0.228 11 T C 0.000 174.727 174.700 0.046 0.000 1.109 11 T CA 0.000 62.126 62.100 0.044 0.000 1.349 11 T CB 0.000 68.892 68.868 0.040 0.000 0.612 12 L N 3.562 124.817 121.223 0.054 0.000 2.410 12 L HA 0.544 4.884 4.340 0.000 0.000 0.273 12 L C 0.752 177.656 176.870 0.057 0.000 1.144 12 L CA 0.413 55.293 54.840 0.066 0.000 0.863 12 L CB 0.486 42.594 42.059 0.081 0.000 1.140 12 L HN 0.748 nan 8.230 nan 0.000 0.463 13 S N 5.021 120.752 115.700 0.051 0.000 2.579 13 S HA 0.315 4.785 4.470 0.000 0.000 0.275 13 S C -1.748 172.873 174.600 0.036 0.000 1.345 13 S CA -0.803 57.418 58.200 0.034 0.000 1.031 13 S CB 0.491 63.703 63.200 0.020 0.000 0.892 13 S HN 0.624 nan 8.310 nan 0.000 0.529 14 P HA -0.120 nan 4.420 nan 0.000 0.218 14 P C 1.464 178.771 177.300 0.012 0.000 1.148 14 P CA 1.345 64.457 63.100 0.021 0.000 0.822 14 P CB 0.050 31.757 31.700 0.012 0.000 0.784 15 E N 0.074 120.273 120.200 -0.001 0.000 2.038 15 E HA -0.174 4.176 4.350 0.000 0.000 0.195 15 E C 1.848 178.421 176.600 -0.045 0.000 1.000 15 E CA 1.436 57.823 56.400 -0.023 0.000 0.803 15 E CB -1.196 28.487 29.700 -0.028 0.000 0.750 15 E HN 0.132 nan 8.360 nan 0.000 0.448 16 L N 0.043 121.245 121.223 -0.035 0.000 2.109 16 L HA -0.060 4.280 4.340 0.000 0.000 0.207 16 L C 2.599 179.485 176.870 0.027 0.000 1.086 16 L CA 0.818 55.607 54.840 -0.084 0.000 0.760 16 L CB -0.370 41.688 42.059 -0.001 0.000 0.910 16 L HN 0.211 nan 8.230 nan 0.000 0.437 17 I N 0.083 120.726 120.570 0.121 0.000 2.226 17 I HA -0.302 3.868 4.170 0.000 0.000 0.245 17 I C 2.835 179.020 176.117 0.113 0.000 1.100 17 I CA 1.210 62.612 61.300 0.170 0.000 1.374 17 I CB -0.478 37.581 38.000 0.100 0.000 1.057 17 I HN 0.213 nan 8.210 nan 0.000 0.413 18 A N 0.994 123.840 122.820 0.043 0.000 1.877 18 A HA -0.213 4.107 4.320 0.000 0.000 0.216 18 A C 2.409 179.993 177.584 0.001 0.000 1.186 18 A CA 1.580 53.628 52.037 0.018 0.000 0.620 18 A CB -0.581 18.417 19.000 -0.003 0.000 0.822 18 A HN 0.327 nan 8.150 nan 0.000 0.443 19 R N -1.880 118.582 120.500 -0.064 0.000 2.092 19 R HA -0.064 4.276 4.340 0.000 0.000 0.231 19 R C 1.862 178.104 176.300 -0.097 0.000 1.119 19 R CA 1.449 57.473 56.100 -0.128 0.000 0.970 19 R CB -0.442 29.712 30.300 -0.244 0.000 0.864 19 R HN 0.529 nan 8.270 nan 0.000 0.440 20 F N 0.762 120.711 119.950 -0.003 0.000 2.146 20 F HA -0.135 4.392 4.527 0.000 0.000 0.298 20 F C 2.577 178.377 175.800 -0.001 0.000 1.096 20 F CA 1.314 59.312 58.000 -0.004 0.000 1.275 20 F CB -0.906 38.089 39.000 -0.008 0.000 1.008 20 F HN -0.059 nan 8.300 nan 0.000 0.480 21 T N -0.010 114.657 114.554 0.189 0.000 2.720 21 T HA -0.233 4.117 4.350 0.000 0.000 0.268 21 T C 2.294 177.042 174.700 0.080 0.000 1.037 21 T CA 1.437 63.601 62.100 0.106 0.000 1.144 21 T CB -0.742 68.168 68.868 0.069 0.000 0.864 21 T HN 0.285 nan 8.240 nan 0.000 0.444 22 A N 1.096 123.951 122.820 0.058 0.000 1.908 22 A HA -0.046 4.274 4.320 0.000 0.000 0.218 22 A C 2.287 179.901 177.584 0.050 0.000 1.181 22 A CA 1.264 53.324 52.037 0.039 0.000 0.627 22 A CB -0.814 18.194 19.000 0.013 0.000 0.818 22 A HN 0.544 nan 8.150 nan 0.000 0.445 23 I N -0.041 120.568 120.570 0.065 0.000 2.208 23 I HA -0.233 3.937 4.170 0.000 0.000 0.245 23 I C 2.244 178.401 176.117 0.067 0.000 1.097 23 I CA 1.859 63.198 61.300 0.066 0.000 1.363 23 I CB -0.147 37.912 38.000 0.098 0.000 1.051 23 I HN 0.366 nan 8.210 nan 0.000 0.413 24 V N -2.017 117.950 119.914 0.087 0.000 3.644 24 V HA 0.535 4.655 4.120 0.000 0.000 0.267 24 V C 0.792 176.989 176.094 0.170 0.000 1.277 24 V CA 0.181 62.536 62.300 0.092 0.000 1.096 24 V CB -0.560 31.313 31.823 0.084 0.000 0.828 24 V HN 0.482 nan 8.190 nan 0.000 0.446 25 G N 2.185 111.066 108.800 0.135 0.000 3.039 25 G HA2 -0.179 3.781 3.960 0.000 0.000 0.686 25 G HA3 -0.179 3.781 3.960 0.000 0.000 0.686 25 G C 0.133 175.072 174.900 0.065 0.000 1.066 25 G CA 0.133 45.308 45.100 0.125 0.000 0.774 25 G HN 0.653 nan 8.290 nan 0.000 0.591 26 D N 1.478 121.877 120.400 -0.001 0.000 2.221 26 D HA -0.148 4.492 4.640 0.000 0.000 0.204 26 D C 1.748 177.982 176.300 -0.110 0.000 0.982 26 D CA 1.496 55.477 54.000 -0.033 0.000 0.857 26 D CB -0.023 40.761 40.800 -0.026 0.000 0.934 26 D HN 0.671 nan 8.370 nan 0.000 0.475 27 K N -0.561 119.690 120.400 -0.248 0.000 2.280 27 K HA -0.118 4.202 4.320 0.000 0.000 0.202 27 K C 0.905 177.213 176.600 -0.486 0.000 1.047 27 K CA 0.991 57.031 56.287 -0.411 0.000 0.942 27 K CB -0.180 31.975 32.500 -0.576 0.000 0.739 27 K HN 0.493 nan 8.250 nan 0.000 0.457 28 H N -1.451 117.617 119.070 -0.004 0.000 2.528 28 H HA 0.331 4.887 4.556 0.000 0.000 0.282 28 H C -0.566 174.738 175.328 -0.040 0.000 1.097 28 H CA -0.377 55.661 56.048 -0.017 0.000 1.121 28 H CB 0.997 30.752 29.762 -0.012 0.000 1.590 28 H HN 0.023 nan 8.280 nan 0.000 0.553 29 A N 1.942 124.773 122.820 0.018 0.000 2.360 29 A HA 0.444 4.764 4.320 0.000 0.000 0.309 29 A C -0.669 176.897 177.584 -0.030 0.000 1.311 29 A CA -0.623 51.410 52.037 -0.007 0.000 0.805 29 A CB 0.137 19.150 19.000 0.022 0.000 1.144 29 A HN 0.268 nan 8.150 nan 0.000 0.486 30 L N 2.601 123.787 121.223 -0.062 0.000 2.292 30 L HA 0.538 4.878 4.340 0.000 0.000 0.284 30 L C 1.238 178.085 176.870 -0.038 0.000 1.065 30 L CA -0.119 54.693 54.840 -0.047 0.000 0.806 30 L CB 1.539 43.563 42.059 -0.058 0.000 1.175 30 L HN 0.852 nan 8.230 nan 0.000 0.431 31 T N -3.797 110.750 114.554 -0.010 0.000 3.041 31 T HA 0.050 4.400 4.350 0.000 0.000 0.276 31 T C 0.255 174.963 174.700 0.013 0.000 0.948 31 T CA -0.394 61.706 62.100 0.000 0.000 0.885 31 T CB 0.218 69.090 68.868 0.006 0.000 1.175 31 T HN 0.415 nan 8.240 nan 0.000 0.529 32 D N 3.067 123.476 120.400 0.016 0.000 2.343 32 D HA 0.262 4.902 4.640 0.000 0.000 0.255 32 D C -1.582 174.737 176.300 0.032 0.000 1.187 32 D CA -2.146 51.867 54.000 0.021 0.000 0.875 32 D CB 1.926 42.738 40.800 0.020 0.000 1.136 32 D HN -0.025 nan 8.370 nan 0.000 0.469 33 P HA -0.139 nan 4.420 nan 0.000 0.217 33 P C 1.563 178.887 177.300 0.041 0.000 1.148 33 P CA 0.985 64.107 63.100 0.037 0.000 0.834 33 P CB 0.228 31.945 31.700 0.029 0.000 0.783 34 L N -0.822 120.422 121.223 0.035 0.000 2.093 34 L HA -0.149 4.191 4.340 0.000 0.000 0.208 34 L C 2.301 179.201 176.870 0.049 0.000 1.085 34 L CA 1.523 56.383 54.840 0.034 0.000 0.755 34 L CB -0.843 41.231 42.059 0.025 0.000 0.904 34 L HN 0.039 nan 8.230 nan 0.000 0.435 35 E N 0.191 120.429 120.200 0.063 0.000 2.107 35 E HA -0.126 4.224 4.350 0.000 0.000 0.191 35 E C 2.306 179.013 176.600 0.179 0.000 0.982 35 E CA 0.735 57.197 56.400 0.104 0.000 0.809 35 E CB -0.007 29.747 29.700 0.090 0.000 0.756 35 E HN 0.449 nan 8.360 nan 0.000 0.459 36 L N 0.948 122.254 121.223 0.138 0.000 2.291 36 L HA -0.131 4.209 4.340 0.000 0.000 0.214 36 L C 2.428 179.397 176.870 0.166 0.000 1.120 36 L CA 0.573 55.516 54.840 0.171 0.000 0.799 36 L CB -0.188 41.922 42.059 0.085 0.000 0.925 36 L HN 0.091 nan 8.230 nan 0.000 0.446 37 E N 1.210 121.468 120.200 0.096 0.000 2.070 37 E HA -0.258 4.092 4.350 0.000 0.000 0.197 37 E C 2.151 178.759 176.600 0.013 0.000 1.004 37 E CA 1.783 58.212 56.400 0.049 0.000 0.805 37 E CB -0.124 29.592 29.700 0.027 0.000 0.744 37 E HN 0.380 nan 8.360 nan 0.000 0.451 38 A N -1.170 121.625 122.820 -0.040 0.000 2.121 38 A HA -0.123 4.197 4.320 0.000 0.000 0.218 38 A C 1.567 178.967 177.584 -0.306 0.000 1.154 38 A CA 1.360 53.274 52.037 -0.205 0.000 0.679 38 A CB -0.568 18.231 19.000 -0.335 0.000 0.795 38 A HN 0.446 nan 8.150 nan 0.000 0.458 39 Y N -0.583 119.710 120.300 -0.012 0.000 2.522 39 Y HA 0.172 4.722 4.550 0.000 0.000 0.277 39 Y C 2.049 177.924 175.900 -0.041 0.000 1.104 39 Y CA 0.488 58.573 58.100 -0.024 0.000 1.260 39 Y CB -0.077 38.367 38.460 -0.027 0.000 1.151 39 Y HN 0.387 nan 8.280 nan 0.000 0.539 40 I N -2.460 118.171 120.570 0.102 0.000 3.428 40 I HA 0.105 4.275 4.170 0.000 0.000 0.286 40 I C 0.626 176.741 176.117 -0.004 0.000 1.287 40 I CA 0.830 62.144 61.300 0.023 0.000 1.396 40 I CB 0.070 38.089 38.000 0.031 0.000 1.062 40 I HN 0.029 nan 8.210 nan 0.000 0.471 41 T N 1.163 115.720 114.554 0.005 0.000 2.906 41 T HA 0.511 4.861 4.350 0.000 0.000 0.295 41 T C -0.863 173.836 174.700 -0.001 0.000 1.075 41 T CA -0.565 61.539 62.100 0.008 0.000 1.005 41 T CB 1.939 70.815 68.868 0.013 0.000 1.136 41 T HN 0.504 nan 8.240 nan 0.000 0.498 42 E N 1.165 121.374 120.200 0.016 0.000 2.281 42 E HA 0.689 5.039 4.350 0.000 0.000 0.257 42 E C 1.329 177.933 176.600 0.007 0.000 0.971 42 E CA -0.147 56.260 56.400 0.011 0.000 0.839 42 E CB -0.389 29.331 29.700 0.035 0.000 1.238 42 E HN 0.549 nan 8.360 nan 0.000 0.412 43 E N 0.293 120.496 120.200 0.005 0.000 2.033 43 E HA -0.274 4.076 4.350 0.000 0.000 0.199 43 E C 2.217 178.825 176.600 0.013 0.000 1.011 43 E CA 3.040 59.444 56.400 0.007 0.000 0.815 43 E CB -1.476 28.232 29.700 0.013 0.000 0.755 43 E HN 0.639 nan 8.360 nan 0.000 0.451 44 R N 0.593 121.103 120.500 0.017 0.000 2.357 44 R HA 0.033 4.373 4.340 0.000 0.000 0.202 44 R C 1.623 177.922 176.300 -0.002 0.000 1.047 44 R CA 1.085 57.196 56.100 0.018 0.000 1.034 44 R CB -1.128 29.185 30.300 0.022 0.000 0.875 44 R HN 0.659 nan 8.270 nan 0.000 0.473 45 N N -0.894 117.804 118.700 -0.003 0.000 2.735 45 N HA -0.176 4.564 4.740 0.000 0.000 0.248 45 N C 0.541 176.014 175.510 -0.062 0.000 1.083 45 N CA 1.076 54.117 53.050 -0.015 0.000 0.703 45 N CB -1.675 36.805 38.487 -0.011 0.000 1.005 45 N HN 0.600 nan 8.380 nan 0.000 0.550 46 L N -1.456 119.713 121.223 -0.090 0.000 2.034 46 L HA 0.012 4.352 4.340 0.000 0.000 0.203 46 L C 0.644 177.294 176.870 -0.367 0.000 1.074 46 L CA 1.169 55.844 54.840 -0.275 0.000 0.748 46 L CB -0.245 41.637 42.059 -0.295 0.000 0.905 46 L HN 0.131 nan 8.230 nan 0.000 0.439 47 Y N -1.302 119.000 120.300 0.004 0.000 2.509 47 Y HA 0.550 5.100 4.550 0.000 0.000 0.341 47 Y C -0.028 175.885 175.900 0.022 0.000 1.038 47 Y CA -0.972 57.155 58.100 0.045 0.000 1.089 47 Y CB 1.416 39.969 38.460 0.156 0.000 1.241 47 Y HN -0.115 nan 8.280 nan 0.000 0.468 48 R N 1.143 121.767 120.500 0.206 0.000 2.435 48 R HA 0.631 4.971 4.340 0.000 0.000 0.308 48 R C -0.419 175.952 176.300 0.118 0.000 0.975 48 R CA -0.370 55.800 56.100 0.115 0.000 0.867 48 R CB 0.783 31.134 30.300 0.085 0.000 1.171 48 R HN 0.945 nan 8.270 nan 0.000 0.470 49 G N 2.019 110.834 108.800 0.026 0.000 2.613 49 G HA2 0.373 4.333 3.960 0.000 0.000 0.303 49 G HA3 0.373 4.333 3.960 0.000 0.000 0.303 49 G C -1.056 173.879 174.900 0.060 0.000 1.312 49 G CA -0.453 44.622 45.100 -0.041 0.000 1.036 49 G HN 0.773 nan 8.290 nan 0.000 0.513 50 H N -2.146 116.912 119.070 -0.019 0.000 2.865 50 H HA 0.706 5.262 4.556 0.000 0.000 0.362 50 H C -1.669 173.650 175.328 -0.014 0.000 1.114 50 H CA -0.755 55.290 56.048 -0.005 0.000 1.208 50 H CB 1.535 31.303 29.762 0.010 0.000 1.727 50 H HN 0.539 nan 8.280 nan 0.000 0.534 51 S N 2.773 118.511 115.700 0.063 0.000 2.536 51 S HA 0.354 4.824 4.470 0.000 0.000 0.271 51 S C -2.222 172.396 174.600 0.030 0.000 1.134 51 S CA -1.183 57.021 58.200 0.006 0.000 0.897 51 S CB 1.926 65.100 63.200 -0.043 0.000 1.094 51 S HN 0.638 nan 8.310 nan 0.000 0.473 52 P HA 0.314 nan 4.420 nan 0.000 0.245 52 P C -0.427 176.869 177.300 -0.007 0.000 1.203 52 P CA 0.107 63.220 63.100 0.021 0.000 0.792 52 P CB 0.134 31.854 31.700 0.034 0.000 0.997 53 L N -0.710 120.485 121.223 -0.047 0.000 2.592 53 L HA 0.397 4.737 4.340 0.000 0.000 0.258 53 L C -1.670 175.107 176.870 -0.155 0.000 0.926 53 L CA -0.936 53.853 54.840 -0.086 0.000 0.885 53 L CB 2.369 44.377 42.059 -0.085 0.000 1.380 53 L HN -0.406 nan 8.230 nan 0.000 0.415 54 V N 5.440 125.239 119.914 -0.192 0.000 2.540 54 V HA 0.593 4.713 4.120 0.000 0.000 0.302 54 V C -0.416 175.519 176.094 -0.266 0.000 1.035 54 V CA -0.496 61.617 62.300 -0.312 0.000 0.873 54 V CB 1.796 33.286 31.823 -0.555 0.000 0.992 54 V HN 0.622 nan 8.190 nan 0.000 0.428 55 L N 5.492 126.565 121.223 -0.249 0.000 2.346 55 L HA 0.661 5.001 4.340 0.000 0.000 0.276 55 L C 0.039 176.827 176.870 -0.138 0.000 1.006 55 L CA -0.689 54.057 54.840 -0.158 0.000 0.817 55 L CB 2.057 44.024 42.059 -0.152 0.000 1.272 55 L HN 0.550 nan 8.230 nan 0.000 0.421 56 R N 2.856 123.317 120.500 -0.064 0.000 2.724 56 R HA 0.290 4.630 4.340 0.000 0.000 0.284 56 R C -2.534 173.728 176.300 -0.062 0.000 1.481 56 R CA -1.619 54.454 56.100 -0.046 0.000 1.652 56 R CB 0.546 30.852 30.300 0.009 0.000 1.175 56 R HN 0.325 nan 8.270 nan 0.000 0.613 57 P HA 0.007 nan 4.420 nan 0.000 0.270 57 P C 0.323 177.563 177.300 -0.100 0.000 1.223 57 P CA 0.141 63.199 63.100 -0.069 0.000 0.785 57 P CB 1.091 32.766 31.700 -0.040 0.000 0.923 58 G N -0.448 108.284 108.800 -0.114 0.000 3.324 58 G HA2 0.298 4.258 3.960 0.000 0.000 0.251 58 G HA3 0.298 4.258 3.960 0.000 0.000 0.251 58 G C -0.006 174.852 174.900 -0.070 0.000 1.072 58 G CA 0.088 45.120 45.100 -0.114 0.000 0.787 58 G HN 0.749 nan 8.290 nan 0.000 0.537 59 S N -2.506 113.163 115.700 -0.052 0.000 2.587 59 S HA 0.384 4.854 4.470 0.000 0.000 0.269 59 S C 0.664 175.246 174.600 -0.031 0.000 1.154 59 S CA 0.168 58.345 58.200 -0.038 0.000 0.824 59 S CB 1.187 64.367 63.200 -0.032 0.000 1.118 59 S HN -0.139 nan 8.310 nan 0.000 0.462 60 T N 1.155 115.691 114.554 -0.029 0.000 2.746 60 T HA -0.105 4.245 4.350 0.000 0.000 0.267 60 T C 1.556 176.246 174.700 -0.018 0.000 1.039 60 T CA 1.905 63.989 62.100 -0.027 0.000 1.142 60 T CB -0.599 68.250 68.868 -0.031 0.000 0.866 60 T HN 0.786 nan 8.240 nan 0.000 0.444 61 E N 0.950 121.140 120.200 -0.016 0.000 2.097 61 E HA -0.229 4.121 4.350 0.000 0.000 0.196 61 E C 2.030 178.630 176.600 -0.000 0.000 1.000 61 E CA 1.372 57.767 56.400 -0.008 0.000 0.804 61 E CB -0.010 29.684 29.700 -0.009 0.000 0.740 61 E HN 0.605 nan 8.360 nan 0.000 0.454 62 E N -0.311 119.888 120.200 -0.002 0.000 2.107 62 E HA -0.125 4.226 4.350 0.000 0.000 0.191 62 E C 2.208 178.819 176.600 0.019 0.000 0.982 62 E CA 1.034 57.440 56.400 0.010 0.000 0.809 62 E CB 0.179 29.880 29.700 0.002 0.000 0.756 62 E HN 0.142 nan 8.360 nan 0.000 0.459 63 V N 1.062 120.978 119.914 0.003 0.000 2.407 63 V HA -0.233 3.887 4.120 0.000 0.000 0.248 63 V C 2.312 178.417 176.094 0.018 0.000 1.055 63 V CA 1.250 63.553 62.300 0.005 0.000 1.049 63 V CB -0.344 31.471 31.823 -0.013 0.000 0.662 63 V HN 0.134 nan 8.190 nan 0.000 0.455 64 V N 0.300 120.221 119.914 0.012 0.000 2.295 64 V HA -0.267 3.853 4.120 0.000 0.000 0.246 64 V C 2.725 178.840 176.094 0.034 0.000 1.049 64 V CA 2.071 64.381 62.300 0.017 0.000 1.024 64 V CB -1.144 30.683 31.823 0.006 0.000 0.648 64 V HN 0.565 nan 8.190 nan 0.000 0.447 65 A N -0.092 122.750 122.820 0.037 0.000 1.908 65 A HA -0.207 4.113 4.320 0.000 0.000 0.218 65 A C 2.179 179.816 177.584 0.089 0.000 1.181 65 A CA 2.108 54.172 52.037 0.046 0.000 0.627 65 A CB -0.589 18.434 19.000 0.039 0.000 0.818 65 A HN 0.520 nan 8.150 nan 0.000 0.445 66 I N -0.694 119.953 120.570 0.128 0.000 2.226 66 I HA -0.326 3.844 4.170 0.000 0.000 0.245 66 I C 2.519 178.771 176.117 0.225 0.000 1.100 66 I CA 1.222 62.668 61.300 0.243 0.000 1.374 66 I CB -0.468 37.621 38.000 0.150 0.000 1.057 66 I HN 0.390 nan 8.210 nan 0.000 0.413 67 C N 0.735 120.107 119.300 0.119 0.000 2.446 67 C HA -0.133 4.327 4.460 0.000 0.000 0.277 67 C C 2.737 177.789 174.990 0.103 0.000 1.275 67 C CA 0.703 59.781 59.018 0.100 0.000 1.727 67 C CB -0.919 26.856 27.740 0.058 0.000 2.010 67 C HN 0.419 nan 8.230 nan 0.000 0.486 68 K N 0.304 120.751 120.400 0.079 0.000 2.103 68 K HA -0.183 4.138 4.320 0.000 0.000 0.207 68 K C 1.853 178.488 176.600 0.057 0.000 1.048 68 K CA 1.200 57.523 56.287 0.060 0.000 0.930 68 K CB -0.342 32.179 32.500 0.035 0.000 0.716 68 K HN 0.343 nan 8.250 nan 0.000 0.444 69 L N 0.700 121.957 121.223 0.056 0.000 2.044 69 L HA -0.031 4.309 4.340 0.000 0.000 0.205 69 L C 2.197 179.112 176.870 0.076 0.000 1.075 69 L CA 1.603 56.436 54.840 -0.012 0.000 0.747 69 L CB -0.617 41.336 42.059 -0.178 0.000 0.903 69 L HN 0.092 nan 8.230 nan 0.000 0.435 70 A N -0.371 122.592 122.820 0.238 0.000 1.908 70 A HA -0.295 4.025 4.320 0.000 0.000 0.218 70 A C 2.193 179.871 177.584 0.157 0.000 1.181 70 A CA 2.122 54.321 52.037 0.269 0.000 0.627 70 A CB -1.029 18.114 19.000 0.240 0.000 0.818 70 A HN 0.605 nan 8.150 nan 0.000 0.445 71 N N -0.695 118.091 118.700 0.143 0.000 2.106 71 N HA -0.153 4.587 4.740 0.000 0.000 0.188 71 N C 1.738 177.330 175.510 0.137 0.000 1.029 71 N CA 1.749 54.907 53.050 0.180 0.000 0.848 71 N CB -0.207 38.386 38.487 0.177 0.000 1.007 71 N HN 0.452 nan 8.380 nan 0.000 0.423 72 E N -0.277 119.969 120.200 0.076 0.000 2.072 72 E HA 0.123 4.473 4.350 0.000 0.000 0.190 72 E C 1.288 177.876 176.600 -0.021 0.000 0.982 72 E CA 1.129 57.539 56.400 0.016 0.000 0.803 72 E CB -0.317 29.387 29.700 0.007 0.000 0.755 72 E HN 0.409 nan 8.360 nan 0.000 0.453 73 A N -0.018 122.803 122.820 0.001 0.000 2.251 73 A HA 0.100 4.420 4.320 0.000 0.000 0.209 73 A C -0.004 177.588 177.584 0.013 0.000 1.187 73 A CA 0.114 52.149 52.037 -0.003 0.000 0.823 73 A CB -0.103 18.895 19.000 -0.003 0.000 0.846 73 A HN 0.123 nan 8.150 nan 0.000 0.486 74 R N -1.440 119.071 120.500 0.018 0.000 3.336 74 R HA -0.129 4.211 4.340 0.000 0.000 0.260 74 R C -0.761 175.576 176.300 0.061 0.000 1.032 74 R CA 0.750 56.866 56.100 0.027 0.000 0.693 74 R CB -3.078 27.212 30.300 -0.018 0.000 1.134 74 R HN 0.278 nan 8.270 nan 0.000 0.433 75 V N 0.735 120.710 119.914 0.101 0.000 2.370 75 V HA 0.583 4.704 4.120 0.000 0.000 0.279 75 V C 1.113 177.253 176.094 0.077 0.000 1.029 75 V CA -0.471 61.896 62.300 0.112 0.000 0.870 75 V CB 1.774 33.728 31.823 0.217 0.000 0.984 75 V HN 0.465 nan 8.190 nan 0.000 0.451 76 A N 6.690 129.534 122.820 0.041 0.000 2.425 76 A HA 0.708 5.028 4.320 0.000 0.000 0.249 76 A C -0.408 177.165 177.584 -0.019 0.000 1.084 76 A CA -0.125 51.923 52.037 0.018 0.000 0.781 76 A CB 0.151 19.158 19.000 0.011 0.000 1.019 76 A HN 0.805 nan 8.150 nan 0.000 0.490 77 L N 1.986 123.196 121.223 -0.021 0.000 2.342 77 L HA 0.616 4.956 4.340 0.000 0.000 0.271 77 L C -0.893 175.952 176.870 -0.042 0.000 1.008 77 L CA -0.968 53.839 54.840 -0.055 0.000 0.818 77 L CB 2.147 44.178 42.059 -0.047 0.000 1.296 77 L HN 0.373 nan 8.230 nan 0.000 0.427 78 V N 2.483 122.362 119.914 -0.059 0.000 2.357 78 V HA 0.298 4.418 4.120 0.000 0.000 0.281 78 V C -2.298 173.775 176.094 -0.035 0.000 1.015 78 V CA -1.591 60.685 62.300 -0.041 0.000 0.827 78 V CB 1.511 33.300 31.823 -0.056 0.000 1.018 78 V HN 0.559 nan 8.190 nan 0.000 0.432 79 P HA 0.257 nan 4.420 nan 0.000 0.269 79 P C -0.763 176.542 177.300 0.009 0.000 1.209 79 P CA 0.038 63.135 63.100 -0.005 0.000 0.776 79 P CB 0.576 32.282 31.700 0.011 0.000 0.876 80 Q N 1.029 120.840 119.800 0.018 0.000 2.386 80 Q HA 0.568 4.908 4.340 0.000 0.000 0.274 80 Q C -0.645 175.387 176.000 0.054 0.000 1.011 80 Q CA -0.696 55.133 55.803 0.043 0.000 0.867 80 Q CB 1.478 30.256 28.738 0.067 0.000 1.409 80 Q HN 0.505 nan 8.270 nan 0.000 0.395 81 G N 0.885 109.718 108.800 0.055 0.000 3.157 81 G HA2 0.323 4.283 3.960 0.000 0.000 0.206 81 G HA3 0.323 4.283 3.960 0.000 0.000 0.206 81 G C 0.581 175.514 174.900 0.055 0.000 1.903 81 G CA 0.187 45.318 45.100 0.052 0.000 0.771 81 G HN 0.723 nan 8.290 nan 0.000 0.750 82 G N -0.213 108.611 108.800 0.041 0.000 2.848 82 G HA2 0.048 4.008 3.960 0.000 0.000 0.208 82 G HA3 0.048 4.008 3.960 0.000 0.000 0.208 82 G C 0.825 175.731 174.900 0.010 0.000 1.152 82 G CA 0.930 46.045 45.100 0.025 0.000 0.789 82 G HN 0.787 nan 8.290 nan 0.000 0.531 83 N N -0.100 118.613 118.700 0.022 0.000 2.738 83 N HA -0.190 4.550 4.740 0.000 0.000 0.249 83 N C 1.157 176.672 175.510 0.010 0.000 1.047 83 N CA 1.371 54.429 53.050 0.012 0.000 0.707 83 N CB -1.391 37.084 38.487 -0.020 0.000 0.937 83 N HN 0.446 nan 8.380 nan 0.000 0.545 84 T N -4.035 110.533 114.554 0.024 0.000 3.044 84 T HA 0.377 4.727 4.350 0.000 0.000 0.260 84 T C 1.087 175.803 174.700 0.027 0.000 1.019 84 T CA 0.210 62.325 62.100 0.026 0.000 0.921 84 T CB 0.217 69.106 68.868 0.036 0.000 1.053 84 T HN 0.459 nan 8.240 nan 0.000 0.533 85 G N 1.325 110.147 108.800 0.037 0.000 2.391 85 G HA2 0.415 4.375 3.960 0.000 0.000 0.234 85 G HA3 0.415 4.375 3.960 0.000 0.000 0.234 85 G C 0.298 175.213 174.900 0.024 0.000 1.284 85 G CA -0.412 44.713 45.100 0.041 0.000 0.873 85 G HN 0.516 nan 8.290 nan 0.000 0.549 86 L N 1.775 122.990 121.223 -0.013 0.000 2.910 86 L HA 0.170 4.510 4.340 0.000 0.000 0.252 86 L C 1.282 178.197 176.870 0.074 0.000 1.195 86 L CA -0.169 54.646 54.840 -0.042 0.000 1.003 86 L CB 0.571 42.448 42.059 -0.304 0.000 1.328 86 L HN 0.520 nan 8.230 nan 0.000 0.540 87 V N -4.749 115.245 119.914 0.133 0.000 3.166 87 V HA 0.539 4.659 4.120 0.000 0.000 0.332 87 V C 1.092 177.291 176.094 0.175 0.000 1.434 87 V CA 0.180 62.595 62.300 0.193 0.000 1.121 87 V CB 0.141 32.062 31.823 0.164 0.000 1.062 87 V HN 0.317 nan 8.190 nan 0.000 0.489 88 G N 0.482 109.391 108.800 0.181 0.000 2.198 88 G HA2 -0.233 3.727 3.960 0.000 0.000 0.260 88 G HA3 -0.233 3.727 3.960 0.000 0.000 0.260 88 G C 0.957 175.898 174.900 0.069 0.000 1.025 88 G CA 0.547 45.691 45.100 0.073 0.000 0.769 88 G HN 1.227 nan 8.290 nan 0.000 0.507 89 G N 0.063 108.898 108.800 0.058 0.000 2.394 89 G HA2 0.032 3.992 3.960 0.000 0.000 0.215 89 G HA3 0.032 3.992 3.960 0.000 0.000 0.215 89 G C 1.541 176.458 174.900 0.028 0.000 1.165 89 G CA 1.451 46.578 45.100 0.045 0.000 0.784 89 G HN 0.895 nan 8.290 nan 0.000 0.535 90 Q N 0.911 120.722 119.800 0.018 0.000 2.320 90 Q HA 0.084 4.424 4.340 0.000 0.000 0.201 90 Q C -0.212 175.759 176.000 -0.049 0.000 0.910 90 Q CA 0.266 56.069 55.803 0.000 0.000 0.946 90 Q CB -0.518 28.233 28.738 0.023 0.000 1.062 90 Q HN 0.202 nan 8.270 nan 0.000 0.503 91 T N 4.926 119.407 114.554 -0.122 0.000 2.799 91 T HA 0.381 4.731 4.350 0.000 0.000 0.286 91 T C -2.692 171.734 174.700 -0.457 0.000 0.973 91 T CA -1.416 60.501 62.100 -0.305 0.000 1.035 91 T CB 1.671 70.272 68.868 -0.445 0.000 0.932 91 T HN 0.158 nan 8.240 nan 0.000 0.469 92 P HA 0.270 nan 4.420 nan 0.000 0.274 92 P C 0.238 177.291 177.300 -0.411 0.000 1.504 92 P CA -0.478 62.446 63.100 -0.294 0.000 1.011 92 P CB 0.220 31.804 31.700 -0.194 0.000 1.366 93 H N 1.485 120.419 119.070 -0.227 0.000 2.547 93 H HA 0.138 4.694 4.556 0.000 0.000 0.266 93 H C 0.391 175.473 175.328 -0.410 0.000 0.988 93 H CA 0.332 56.226 56.048 -0.256 0.000 1.147 93 H CB 0.373 30.034 29.762 -0.168 0.000 1.365 93 H HN 0.394 nan 8.280 nan 0.000 0.589 94 N N -0.182 118.305 118.700 -0.354 0.000 2.622 94 N HA 0.063 4.803 4.740 0.000 0.000 0.293 94 N C 0.329 175.755 175.510 -0.141 0.000 1.788 94 N CA 0.542 53.455 53.050 -0.229 0.000 0.860 94 N CB 0.561 39.033 38.487 -0.026 0.000 1.388 94 N HN 0.415 nan 8.380 nan 0.000 0.496 95 G N 1.408 110.056 108.800 -0.253 0.000 2.249 95 G HA2 -0.284 3.676 3.960 0.000 0.000 0.273 95 G HA3 -0.284 3.676 3.960 0.000 0.000 0.273 95 G C -0.126 174.762 174.900 -0.020 0.000 1.036 95 G CA 0.563 45.678 45.100 0.025 0.000 0.824 95 G HN 0.531 nan 8.290 nan 0.000 0.504 96 E N -1.257 118.895 120.200 -0.080 0.000 2.280 96 E HA 0.564 4.914 4.350 0.000 0.000 0.264 96 E C 0.339 176.883 176.600 -0.093 0.000 1.064 96 E CA -0.898 55.460 56.400 -0.070 0.000 0.900 96 E CB 1.716 31.369 29.700 -0.077 0.000 1.123 96 E HN 0.095 nan 8.360 nan 0.000 0.418 97 V N 2.238 122.078 119.914 -0.123 0.000 2.432 97 V HA 0.115 4.235 4.120 0.000 0.000 0.275 97 V C -0.163 175.821 176.094 -0.182 0.000 1.043 97 V CA -0.631 61.554 62.300 -0.192 0.000 0.925 97 V CB 1.259 32.874 31.823 -0.347 0.000 0.985 97 V HN 0.384 nan 8.190 nan 0.000 0.466 98 V N 6.332 126.140 119.914 -0.177 0.000 2.498 98 V HA 0.313 4.433 4.120 0.000 0.000 0.279 98 V C 0.125 176.110 176.094 -0.181 0.000 1.048 98 V CA -0.354 61.855 62.300 -0.153 0.000 0.967 98 V CB 1.342 33.082 31.823 -0.138 0.000 0.988 98 V HN 0.554 nan 8.190 nan 0.000 0.473 99 I N 4.399 124.891 120.570 -0.130 0.000 2.337 99 I HA 0.271 4.441 4.170 0.000 0.000 0.285 99 I C 0.441 176.516 176.117 -0.070 0.000 1.041 99 I CA 0.323 61.553 61.300 -0.116 0.000 1.199 99 I CB 1.042 38.988 38.000 -0.090 0.000 1.370 99 I HN 0.613 nan 8.210 nan 0.000 0.470 100 S N 6.114 121.766 115.700 -0.081 0.000 2.525 100 S HA 0.520 4.990 4.470 0.000 0.000 0.278 100 S C 0.648 175.245 174.600 -0.004 0.000 1.234 100 S CA -0.438 57.758 58.200 -0.007 0.000 1.058 100 S CB 0.867 64.081 63.200 0.023 0.000 0.983 100 S HN 0.538 nan 8.310 nan 0.000 0.495 101 L N 4.962 126.195 121.223 0.018 0.000 2.700 101 L HA 0.309 4.649 4.340 0.000 0.000 0.234 101 L C 1.902 178.780 176.870 0.013 0.000 1.156 101 L CA -0.077 54.765 54.840 0.004 0.000 0.946 101 L CB -0.059 42.000 42.059 0.001 0.000 1.216 101 L HN 0.676 nan 8.230 nan 0.000 0.493 102 K N 0.410 120.835 120.400 0.040 0.000 2.211 102 K HA -0.098 4.222 4.320 0.000 0.000 0.204 102 K C 0.904 177.515 176.600 0.017 0.000 1.047 102 K CA 1.008 57.322 56.287 0.044 0.000 0.935 102 K CB 0.011 32.564 32.500 0.087 0.000 0.728 102 K HN 0.372 nan 8.250 nan 0.000 0.452 106 K N 0.984 121.363 120.400 -0.034 0.000 2.326 106 K HA 0.284 4.604 4.320 0.000 0.000 0.275 106 K C -0.158 176.415 176.600 -0.045 0.000 1.018 106 K CA -0.425 55.840 56.287 -0.036 0.000 0.962 106 K CB 0.658 33.138 32.500 -0.033 0.000 0.953 106 K HN -0.015 nan 8.250 nan 0.000 0.475 107 I N 6.205 126.747 120.570 -0.047 0.000 2.287 107 I HA 0.134 4.304 4.170 0.000 0.000 0.290 107 I C 1.223 177.311 176.117 -0.048 0.000 1.069 107 I CA 0.032 61.297 61.300 -0.058 0.000 1.237 107 I CB 0.705 38.668 38.000 -0.061 0.000 1.418 107 I HN 0.738 nan 8.210 nan 0.000 0.481 108 R N 3.446 123.917 120.500 -0.048 0.000 2.073 108 R HA 0.043 4.383 4.340 0.000 0.000 0.229 108 R C 0.474 176.752 176.300 -0.036 0.000 1.120 108 R CA 0.855 56.932 56.100 -0.039 0.000 0.967 108 R CB 0.398 30.676 30.300 -0.037 0.000 0.862 108 R HN 0.600 nan 8.270 nan 0.000 0.436 109 E N 0.352 120.527 120.200 -0.041 0.000 2.321 109 E HA 0.275 4.625 4.350 0.000 0.000 0.281 109 E C -1.507 175.069 176.600 -0.039 0.000 0.910 109 E CA -0.387 55.992 56.400 -0.035 0.000 0.770 109 E CB 1.616 31.299 29.700 -0.030 0.000 1.225 109 E HN 0.008 nan 8.360 nan 0.000 0.417 110 I N 3.622 124.172 120.570 -0.033 0.000 2.390 110 I HA 0.258 4.428 4.170 0.000 0.000 0.283 110 I C -0.771 175.333 176.117 -0.023 0.000 1.016 110 I CA -0.760 60.521 61.300 -0.032 0.000 1.151 110 I CB 1.378 39.360 38.000 -0.029 0.000 1.293 110 I HN 0.408 nan 8.210 nan 0.000 0.458 111 D N 4.935 125.321 120.400 -0.022 0.000 2.427 111 D HA 0.132 4.772 4.640 0.000 0.000 0.226 111 D C 1.174 177.464 176.300 -0.017 0.000 1.076 111 D CA -0.317 53.672 54.000 -0.019 0.000 0.849 111 D CB 1.567 42.355 40.800 -0.021 0.000 1.052 111 D HN 0.644 nan 8.370 nan 0.000 0.515 112 T N 0.058 114.605 114.554 -0.012 0.000 3.067 112 T HA -0.012 4.338 4.350 0.000 0.000 0.261 112 T C 1.548 176.242 174.700 -0.010 0.000 1.110 112 T CA 0.544 62.639 62.100 -0.008 0.000 1.113 112 T CB 0.179 69.046 68.868 -0.001 0.000 0.917 112 T HN 0.122 nan 8.240 nan 0.000 0.499 113 S N 1.443 117.135 115.700 -0.012 0.000 2.371 113 S HA 0.059 4.529 4.470 0.000 0.000 0.221 113 S C 2.330 176.919 174.600 -0.020 0.000 1.036 113 S CA 0.869 59.062 58.200 -0.013 0.000 0.965 113 S CB -0.244 62.950 63.200 -0.010 0.000 0.845 113 S HN 0.580 nan 8.310 nan 0.000 0.475 114 S N 1.615 117.301 115.700 -0.023 0.000 2.461 114 S HA 0.100 4.570 4.470 0.000 0.000 0.228 114 S C 0.300 174.873 174.600 -0.045 0.000 1.005 114 S CA 0.051 58.233 58.200 -0.030 0.000 0.942 114 S CB -0.199 62.986 63.200 -0.026 0.000 0.776 114 S HN 0.478 nan 8.310 nan 0.000 0.514 115 N N 2.205 120.880 118.700 -0.042 0.000 2.726 115 N HA -0.116 4.624 4.740 0.000 0.000 0.253 115 N C -0.511 174.962 175.510 -0.062 0.000 1.059 115 N CA 1.239 54.255 53.050 -0.056 0.000 0.701 115 N CB -1.473 36.960 38.487 -0.090 0.000 0.899 115 N HN 0.676 nan 8.380 nan 0.000 0.548 116 T N -2.176 112.356 114.554 -0.037 0.000 2.896 116 T HA 0.808 5.158 4.350 0.000 0.000 0.297 116 T C -0.149 174.534 174.700 -0.028 0.000 1.108 116 T CA -0.867 61.216 62.100 -0.028 0.000 1.004 116 T CB 3.087 71.939 68.868 -0.027 0.000 1.159 116 T HN 0.227 nan 8.240 nan 0.000 0.499 117 I N 1.344 121.892 120.570 -0.037 0.000 2.571 117 I HA 0.479 4.649 4.170 0.000 0.000 0.289 117 I C -1.147 174.924 176.117 -0.077 0.000 1.115 117 I CA -0.457 60.801 61.300 -0.070 0.000 1.045 117 I CB 2.101 40.030 38.000 -0.118 0.000 1.238 117 I HN 0.838 nan 8.210 nan 0.000 0.424 118 T N 7.111 121.625 114.554 -0.067 0.000 2.749 118 T HA 0.591 4.941 4.350 0.000 0.000 0.287 118 T C -0.534 174.123 174.700 -0.073 0.000 0.970 118 T CA -0.450 61.615 62.100 -0.059 0.000 0.980 118 T CB 1.192 70.034 68.868 -0.043 0.000 0.924 118 T HN 0.466 nan 8.240 nan 0.000 0.456 119 V N 0.785 120.653 119.914 -0.077 0.000 3.049 119 V HA 0.645 4.765 4.120 0.000 0.000 0.309 119 V C -0.509 175.549 176.094 -0.060 0.000 1.148 119 V CA -1.318 60.934 62.300 -0.080 0.000 0.990 119 V CB 1.979 33.731 31.823 -0.118 0.000 1.039 119 V HN 0.778 nan 8.190 nan 0.000 0.430 120 E N 1.726 121.895 120.200 -0.052 0.000 2.366 120 E HA 0.473 4.823 4.350 0.000 0.000 0.266 120 E C 1.275 177.854 176.600 -0.035 0.000 1.051 120 E CA 0.095 56.470 56.400 -0.041 0.000 0.884 120 E CB 1.737 31.415 29.700 -0.038 0.000 1.006 120 E HN 0.985 nan 8.360 nan 0.000 0.417 121 A N 2.798 125.602 122.820 -0.027 0.000 2.024 121 A HA -0.145 4.175 4.320 0.000 0.000 0.220 121 A C 1.906 179.487 177.584 -0.005 0.000 1.164 121 A CA 1.798 53.827 52.037 -0.013 0.000 0.643 121 A CB -0.572 18.422 19.000 -0.011 0.000 0.806 121 A HN 0.728 nan 8.150 nan 0.000 0.451 122 G N -1.061 107.733 108.800 -0.010 0.000 2.985 122 G HA2 0.381 4.341 3.960 0.000 0.000 0.209 122 G HA3 0.381 4.341 3.960 0.000 0.000 0.209 122 G C 0.617 175.514 174.900 -0.004 0.000 1.165 122 G CA 0.481 45.580 45.100 -0.001 0.000 0.776 122 G HN 0.787 nan 8.290 nan 0.000 0.541 123 A N 1.264 124.074 122.820 -0.018 0.000 2.524 123 A HA 0.424 4.744 4.320 0.000 0.000 0.250 123 A C 0.524 178.101 177.584 -0.013 0.000 1.078 123 A CA -0.275 51.746 52.037 -0.026 0.000 0.761 123 A CB 0.164 19.131 19.000 -0.054 0.000 1.012 123 A HN 0.169 nan 8.150 nan 0.000 0.500 124 I N 4.163 124.730 120.570 -0.006 0.000 2.598 124 I HA -0.096 4.074 4.170 0.000 0.000 0.284 124 I C 1.600 177.723 176.117 0.010 0.000 1.140 124 I CA 0.034 61.339 61.300 0.008 0.000 1.420 124 I CB 0.230 38.235 38.000 0.009 0.000 1.387 124 I HN 0.837 nan 8.210 nan 0.000 0.553 125 L N 6.627 127.873 121.223 0.037 0.000 2.043 125 L HA -0.261 4.079 4.340 0.000 0.000 0.212 125 L C 2.351 179.262 176.870 0.070 0.000 1.075 125 L CA 1.998 56.882 54.840 0.075 0.000 0.752 125 L CB -0.752 41.376 42.059 0.116 0.000 0.891 125 L HN 0.785 nan 8.230 nan 0.000 0.432 126 Q N -0.917 118.910 119.800 0.046 0.000 2.170 126 Q HA -0.243 4.097 4.340 0.000 0.000 0.203 126 Q C 2.457 178.469 176.000 0.020 0.000 0.976 126 Q CA 1.528 57.352 55.803 0.035 0.000 0.858 126 Q CB -0.139 28.612 28.738 0.023 0.000 0.907 126 Q HN 0.524 nan 8.270 nan 0.000 0.433 127 R N -0.523 119.981 120.500 0.006 0.000 2.115 127 R HA -0.070 4.270 4.340 0.000 0.000 0.226 127 R C 2.051 178.335 176.300 -0.027 0.000 1.100 127 R CA 0.994 57.089 56.100 -0.009 0.000 0.980 127 R CB 0.099 30.390 30.300 -0.015 0.000 0.875 127 R HN 0.177 nan 8.270 nan 0.000 0.445 128 V N 1.246 121.131 119.914 -0.049 0.000 2.343 128 V HA -0.267 3.853 4.120 0.000 0.000 0.247 128 V C 2.244 178.308 176.094 -0.049 0.000 1.051 128 V CA 1.791 64.018 62.300 -0.123 0.000 1.036 128 V CB -0.504 31.143 31.823 -0.294 0.000 0.654 128 V HN 0.415 nan 8.190 nan 0.000 0.451 129 Q N -0.164 119.667 119.800 0.052 0.000 2.061 129 Q HA -0.276 4.064 4.340 0.000 0.000 0.204 129 Q C 2.297 178.324 176.000 0.045 0.000 0.984 129 Q CA 2.147 58.013 55.803 0.105 0.000 0.846 129 Q CB -0.235 28.558 28.738 0.093 0.000 0.902 129 Q HN 0.704 nan 8.270 nan 0.000 0.421 130 E N 0.358 120.569 120.200 0.019 0.000 2.051 130 E HA -0.164 4.186 4.350 0.000 0.000 0.192 130 E C 2.014 178.616 176.600 0.003 0.000 0.991 130 E CA 0.766 57.171 56.400 0.008 0.000 0.799 130 E CB 0.097 29.798 29.700 0.002 0.000 0.748 130 E HN 0.113 nan 8.360 nan 0.000 0.449 131 K N 0.380 120.774 120.400 -0.009 0.000 2.097 131 K HA -0.091 4.229 4.320 0.000 0.000 0.206 131 K C 2.085 178.681 176.600 -0.007 0.000 1.049 131 K CA 1.067 57.344 56.287 -0.017 0.000 0.933 131 K CB -0.282 32.196 32.500 -0.037 0.000 0.717 131 K HN 0.098 nan 8.250 nan 0.000 0.442 132 A N 1.366 124.189 122.820 0.005 0.000 1.898 132 A HA -0.072 4.248 4.320 0.000 0.000 0.216 132 A C 2.412 180.015 177.584 0.033 0.000 1.181 132 A CA 1.935 53.991 52.037 0.031 0.000 0.620 132 A CB -0.553 18.499 19.000 0.086 0.000 0.819 132 A HN 0.294 nan 8.150 nan 0.000 0.442 133 A N -0.055 122.783 122.820 0.029 0.000 1.908 133 A HA -0.201 4.119 4.320 0.000 0.000 0.218 133 A C 1.866 179.460 177.584 0.015 0.000 1.181 133 A CA 1.685 53.735 52.037 0.021 0.000 0.627 133 A CB -0.598 18.411 19.000 0.015 0.000 0.818 133 A HN 0.641 nan 8.150 nan 0.000 0.445 134 E N -0.410 119.796 120.200 0.010 0.000 2.209 134 E HA -0.125 4.225 4.350 0.000 0.000 0.196 134 E C 1.221 177.825 176.600 0.007 0.000 0.993 134 E CA 1.463 57.867 56.400 0.006 0.000 0.819 134 E CB -0.227 29.473 29.700 0.001 0.000 0.745 134 E HN 0.651 nan 8.360 nan 0.000 0.477 135 V N -1.704 118.216 119.914 0.009 0.000 3.099 135 V HA 0.192 4.312 4.120 0.000 0.000 0.356 135 V C -0.194 175.910 176.094 0.017 0.000 1.364 135 V CA -0.027 62.279 62.300 0.010 0.000 1.229 135 V CB -0.141 31.685 31.823 0.006 0.000 1.227 135 V HN 0.061 nan 8.190 nan 0.000 0.493 136 D N 1.114 121.526 120.400 0.020 0.000 2.699 136 D HA -0.170 4.470 4.640 0.000 0.000 0.239 136 D C 0.193 176.515 176.300 0.036 0.000 1.136 136 D CA 0.878 54.894 54.000 0.026 0.000 0.668 136 D CB -0.328 40.485 40.800 0.022 0.000 1.060 136 D HN 0.620 nan 8.370 nan 0.000 0.429 137 R N -0.492 120.034 120.500 0.043 0.000 2.869 137 R HA 0.794 5.134 4.340 0.000 0.000 0.263 137 R C -0.887 175.457 176.300 0.074 0.000 1.066 137 R CA -1.028 55.111 56.100 0.065 0.000 0.960 137 R CB 0.876 31.216 30.300 0.067 0.000 1.221 137 R HN 0.147 nan 8.270 nan 0.000 0.474 138 L N 0.890 122.176 121.223 0.105 0.000 2.385 138 L HA 0.533 4.873 4.340 0.000 0.000 0.273 138 L C -1.435 175.526 176.870 0.151 0.000 0.990 138 L CA -0.535 54.347 54.840 0.069 0.000 0.821 138 L CB 1.478 43.522 42.059 -0.025 0.000 1.279 138 L HN 0.500 nan 8.230 nan 0.000 0.412 139 F N 8.030 127.956 119.950 -0.041 0.000 2.293 139 F HA 0.587 5.114 4.527 0.000 0.000 0.370 139 F C -1.715 173.984 175.800 -0.169 0.000 1.090 139 F CA -2.284 55.700 58.000 -0.028 0.000 1.133 139 F CB 1.059 40.056 39.000 -0.006 0.000 1.360 139 F HN 0.499 nan 8.300 nan 0.000 0.489 140 P HA -0.099 nan 4.420 nan 0.000 0.225 140 P C 0.517 177.418 177.300 -0.666 0.000 1.156 140 P CA 0.401 62.957 63.100 -0.905 0.000 0.787 140 P CB 0.269 30.936 31.700 -1.721 0.000 0.802 141 L N 0.952 121.702 121.223 -0.789 0.000 2.628 141 L HA 0.137 4.477 4.340 0.000 0.000 0.274 141 L C 0.144 176.873 176.870 -0.236 0.000 1.209 141 L CA 0.613 55.189 54.840 -0.440 0.000 0.930 141 L CB -0.566 41.254 42.059 -0.397 0.000 1.183 141 L HN -0.087 nan 8.230 nan 0.000 0.492 142 S N 6.019 121.627 115.700 -0.153 0.000 2.677 142 S HA 0.811 5.281 4.470 0.000 0.000 0.283 142 S C -1.022 173.549 174.600 -0.048 0.000 1.159 142 S CA -0.708 57.434 58.200 -0.098 0.000 1.001 142 S CB 0.604 63.716 63.200 -0.147 0.000 1.032 142 S HN 0.699 nan 8.310 nan 0.000 0.487 143 L N 2.596 123.819 121.223 0.001 0.000 2.502 143 L HA 0.927 5.267 4.340 0.000 0.000 0.253 143 L C 1.168 178.079 176.870 0.068 0.000 1.070 143 L CA -0.615 54.257 54.840 0.053 0.000 0.871 143 L CB 0.138 42.248 42.059 0.085 0.000 1.487 143 L HN 0.568 nan 8.230 nan 0.000 0.408 144 G N -0.205 108.662 108.800 0.110 0.000 2.440 144 G HA2 -0.090 3.871 3.960 0.000 0.000 0.218 144 G HA3 -0.090 3.871 3.960 0.000 0.000 0.218 144 G C 1.043 175.992 174.900 0.083 0.000 1.154 144 G CA 0.967 46.130 45.100 0.106 0.000 0.767 144 G HN 1.038 nan 8.290 nan 0.000 0.552 145 A N -0.166 122.706 122.820 0.086 0.000 2.259 145 A HA 0.246 4.566 4.320 0.000 0.000 0.208 145 A C 1.977 179.594 177.584 0.054 0.000 1.201 145 A CA 1.009 53.086 52.037 0.067 0.000 0.824 145 A CB -0.279 18.762 19.000 0.069 0.000 0.838 145 A HN 0.458 nan 8.150 nan 0.000 0.485 146 Q N -0.369 119.462 119.800 0.052 0.000 2.146 146 Q HA -0.286 4.054 4.340 0.000 0.000 0.217 146 Q C 1.973 177.995 176.000 0.037 0.000 1.023 146 Q CA 1.995 57.825 55.803 0.045 0.000 0.903 146 Q CB -0.528 28.229 28.738 0.031 0.000 0.990 146 Q HN 0.706 nan 8.270 nan 0.000 0.413 147 G N -1.668 107.150 108.800 0.030 0.000 2.559 147 G HA2 -0.140 3.820 3.960 0.000 0.000 0.216 147 G HA3 -0.140 3.820 3.960 0.000 0.000 0.216 147 G C 1.096 176.009 174.900 0.020 0.000 1.126 147 G CA 1.023 46.137 45.100 0.023 0.000 0.778 147 G HN 0.255 nan 8.290 nan 0.000 0.543 148 S N -1.329 114.386 115.700 0.025 0.000 2.727 148 S HA 0.052 4.522 4.470 0.000 0.000 0.249 148 S C 1.199 175.815 174.600 0.027 0.000 1.079 148 S CA 0.077 58.288 58.200 0.020 0.000 0.912 148 S CB 0.052 63.260 63.200 0.014 0.000 0.861 148 S HN 0.636 nan 8.310 nan 0.000 0.484 149 C N 4.098 123.422 119.300 0.039 0.000 2.605 149 C HA 0.727 5.187 4.460 0.000 0.000 0.404 149 C C 0.932 175.951 174.990 0.048 0.000 1.284 149 C CA -0.726 58.321 59.018 0.048 0.000 2.199 149 C CB -0.304 27.474 27.740 0.063 0.000 2.647 149 C HN 0.493 nan 8.230 nan 0.000 0.604 150 T N 1.331 115.914 114.554 0.048 0.000 2.952 150 T HA 0.461 4.811 4.350 0.000 0.000 0.286 150 T C 1.110 175.842 174.700 0.053 0.000 1.024 150 T CA -0.823 61.301 62.100 0.041 0.000 1.029 150 T CB 0.830 69.717 68.868 0.032 0.000 1.094 150 T HN 0.555 nan 8.240 nan 0.000 0.515 151 I N 1.341 121.935 120.570 0.040 0.000 2.226 151 I HA -0.034 4.136 4.170 0.000 0.000 0.245 151 I C 2.766 178.915 176.117 0.055 0.000 1.100 151 I CA 1.859 63.191 61.300 0.053 0.000 1.374 151 I CB -1.951 36.053 38.000 0.007 0.000 1.057 151 I HN 0.982 nan 8.210 nan 0.000 0.413 152 G N 0.695 109.516 108.800 0.036 0.000 2.440 152 G HA2 -0.202 3.758 3.960 0.000 0.000 0.218 152 G HA3 -0.202 3.758 3.960 0.000 0.000 0.218 152 G C 1.748 176.680 174.900 0.053 0.000 1.154 152 G CA 0.919 46.041 45.100 0.037 0.000 0.767 152 G HN 0.478 nan 8.290 nan 0.000 0.552 153 G N 0.641 109.474 108.800 0.055 0.000 2.402 153 G HA2 -0.201 3.759 3.960 0.000 0.000 0.216 153 G HA3 -0.201 3.759 3.960 0.000 0.000 0.216 153 G C 1.672 176.618 174.900 0.077 0.000 1.162 153 G CA 1.044 46.182 45.100 0.063 0.000 0.777 153 G HN 0.562 nan 8.290 nan 0.000 0.539 154 N N 0.128 118.878 118.700 0.084 0.000 2.084 154 N HA -0.036 4.704 4.740 0.000 0.000 0.190 154 N C 2.189 177.756 175.510 0.095 0.000 1.030 154 N CA 0.795 53.903 53.050 0.097 0.000 0.849 154 N CB -0.190 38.367 38.487 0.118 0.000 1.012 154 N HN 0.222 nan 8.380 nan 0.000 0.423 155 L N 0.367 121.647 121.223 0.095 0.000 2.093 155 L HA -0.102 4.238 4.340 0.000 0.000 0.208 155 L C 2.196 179.121 176.870 0.092 0.000 1.085 155 L CA 0.842 55.739 54.840 0.095 0.000 0.755 155 L CB -0.283 41.831 42.059 0.092 0.000 0.904 155 L HN 0.163 nan 8.230 nan 0.000 0.435 156 S N -0.859 114.893 115.700 0.087 0.000 2.406 156 S HA -0.135 4.335 4.470 0.000 0.000 0.228 156 S C 1.971 176.618 174.600 0.079 0.000 1.020 156 S CA 1.702 59.954 58.200 0.087 0.000 0.965 156 S CB -0.265 62.982 63.200 0.079 0.000 0.798 156 S HN 0.633 nan 8.310 nan 0.000 0.488 157 T N -1.044 113.559 114.554 0.081 0.000 3.065 157 T HA 0.137 4.487 4.350 0.000 0.000 0.252 157 T C 0.622 175.368 174.700 0.076 0.000 1.099 157 T CA 0.448 62.598 62.100 0.083 0.000 1.063 157 T CB -0.447 68.481 68.868 0.099 0.000 0.948 157 T HN 0.242 nan 8.240 nan 0.000 0.506 158 N N 1.402 120.146 118.700 0.074 0.000 2.727 158 N HA -0.149 4.591 4.740 0.000 0.000 0.251 158 N C -0.032 175.516 175.510 0.064 0.000 1.040 158 N CA 0.529 53.619 53.050 0.066 0.000 0.712 158 N CB -1.603 36.914 38.487 0.050 0.000 0.912 158 N HN 0.937 nan 8.380 nan 0.000 0.545 159 A N -0.026 122.840 122.820 0.077 0.000 2.507 159 A HA 0.584 4.904 4.320 0.000 0.000 0.235 159 A C 1.110 178.728 177.584 0.057 0.000 1.070 159 A CA 0.728 52.813 52.037 0.081 0.000 0.768 159 A CB 0.379 19.436 19.000 0.095 0.000 1.011 159 A HN 0.955 nan 8.150 nan 0.000 0.502 160 G N -0.743 108.091 108.800 0.058 0.000 2.733 160 G HA2 0.662 4.622 3.960 0.000 0.000 0.297 160 G HA3 0.662 4.622 3.960 0.000 0.000 0.297 160 G C -0.308 174.613 174.900 0.034 0.000 1.422 160 G CA 0.147 45.264 45.100 0.030 0.000 0.942 160 G HN 1.344 nan 8.290 nan 0.000 0.510 161 G N -0.887 107.892 108.800 -0.035 0.000 3.257 161 G HA2 0.494 4.454 3.960 0.000 0.000 0.205 161 G HA3 0.494 4.454 3.960 0.000 0.000 0.205 161 G C 0.950 175.643 174.900 -0.346 0.000 1.234 161 G CA 0.659 45.701 45.100 -0.097 0.000 0.918 161 G HN 0.568 nan 8.290 nan 0.000 0.602 162 T N 1.133 115.481 114.554 -0.345 0.000 2.746 162 T HA -0.044 4.306 4.350 0.000 0.000 0.267 162 T C 2.316 176.921 174.700 -0.158 0.000 1.039 162 T CA 1.909 63.794 62.100 -0.358 0.000 1.142 162 T CB -0.333 68.501 68.868 -0.056 0.000 0.866 162 T HN 0.632 nan 8.240 nan 0.000 0.444 163 A N 0.699 123.470 122.820 -0.081 0.000 2.276 163 A HA 0.606 4.926 4.320 0.000 0.000 0.212 163 A C 2.322 179.903 177.584 -0.004 0.000 1.230 163 A CA 0.838 52.883 52.037 0.013 0.000 0.844 163 A CB -0.669 18.413 19.000 0.138 0.000 0.860 163 A HN 0.441 nan 8.150 nan 0.000 0.486 164 A N 0.749 123.535 122.820 -0.057 0.000 1.978 164 A HA -0.135 4.185 4.320 0.000 0.000 0.220 164 A C 2.080 179.637 177.584 -0.046 0.000 1.170 164 A CA 1.532 53.545 52.037 -0.040 0.000 0.636 164 A CB -0.742 18.236 19.000 -0.037 0.000 0.810 164 A HN 1.091 nan 8.150 nan 0.000 0.448 165 L N -3.525 117.668 121.223 -0.049 0.000 2.191 165 L HA 0.040 4.380 4.340 0.000 0.000 0.212 165 L C 2.211 179.005 176.870 -0.126 0.000 1.103 165 L CA 1.618 56.421 54.840 -0.062 0.000 0.769 165 L CB -0.477 41.562 42.059 -0.033 0.000 0.908 165 L HN 0.234 nan 8.230 nan 0.000 0.438 166 A N -0.831 121.858 122.820 -0.218 0.000 1.942 166 A HA 0.113 4.433 4.320 0.000 0.000 0.209 166 A C 1.560 178.834 177.584 -0.516 0.000 1.214 166 A CA 0.425 52.197 52.037 -0.443 0.000 0.686 166 A CB -0.424 18.140 19.000 -0.727 0.000 0.871 166 A HN 0.488 nan 8.150 nan 0.000 0.460 167 Y N -0.293 119.893 120.300 -0.191 0.000 2.467 167 Y HA 0.431 4.981 4.550 0.000 0.000 0.250 167 Y C 1.565 177.357 175.900 -0.180 0.000 1.155 167 Y CA -0.087 57.834 58.100 -0.299 0.000 1.249 167 Y CB -0.029 38.122 38.460 -0.516 0.000 1.146 167 Y HN 0.528 nan 8.280 nan 0.000 0.524 168 G N 0.656 109.457 108.800 0.001 0.000 2.693 168 G HA2 -0.238 3.722 3.960 0.000 0.000 0.226 168 G HA3 -0.238 3.722 3.960 0.000 0.000 0.226 168 G C -0.564 174.337 174.900 0.002 0.000 1.354 168 G CA -0.410 44.695 45.100 0.009 0.000 0.873 168 G HN 0.151 nan 8.290 nan 0.000 0.562 169 L N -0.162 121.069 121.223 0.014 0.000 2.544 169 L HA 0.654 4.994 4.340 0.000 0.000 0.256 169 L C 2.432 179.317 176.870 0.025 0.000 1.097 169 L CA -0.331 54.517 54.840 0.013 0.000 0.812 169 L CB 0.584 42.657 42.059 0.023 0.000 1.440 169 L HN 1.125 nan 8.230 nan 0.000 0.496 170 A N -0.022 122.820 122.820 0.038 0.000 1.948 170 A HA -0.213 4.107 4.320 0.000 0.000 0.220 170 A C 2.306 179.944 177.584 0.089 0.000 1.177 170 A CA 2.014 54.093 52.037 0.071 0.000 0.636 170 A CB -0.712 18.340 19.000 0.088 0.000 0.815 170 A HN 0.835 nan 8.150 nan 0.000 0.449 171 R N 0.031 120.576 120.500 0.074 0.000 2.081 171 R HA -0.108 4.232 4.340 0.000 0.000 0.235 171 R C 0.160 176.509 176.300 0.083 0.000 1.131 171 R CA 1.402 57.547 56.100 0.076 0.000 0.960 171 R CB -0.282 30.053 30.300 0.058 0.000 0.856 171 R HN 0.527 nan 8.270 nan 0.000 0.436 175 L N 1.246 122.508 121.223 0.065 0.000 2.575 175 L HA 0.536 4.876 4.340 0.000 0.000 0.228 175 L C 1.109 178.000 176.870 0.035 0.000 1.075 175 L CA 0.744 55.610 54.840 0.042 0.000 0.867 175 L CB 0.874 42.948 42.059 0.025 0.000 1.097 175 L HN 1.028 nan 8.230 nan 0.000 0.485 176 G N -0.106 108.715 108.800 0.035 0.000 2.547 176 G HA2 0.507 4.467 3.960 0.000 0.000 0.291 176 G HA3 0.507 4.467 3.960 0.000 0.000 0.291 176 G C -1.785 173.124 174.900 0.015 0.000 1.471 176 G CA -0.094 45.020 45.100 0.024 0.000 0.798 176 G HN -0.160 nan 8.290 nan 0.000 0.504 177 V N -2.532 117.381 119.914 -0.003 0.000 3.159 177 V HA 0.920 5.040 4.120 0.000 0.000 0.308 177 V C -0.946 175.103 176.094 -0.075 0.000 1.190 177 V CA -1.084 61.196 62.300 -0.034 0.000 1.037 177 V CB 2.021 33.822 31.823 -0.036 0.000 1.060 177 V HN 0.992 nan 8.190 nan 0.000 0.437 178 E N 0.902 121.044 120.200 -0.096 0.000 2.191 178 E HA 0.727 5.077 4.350 0.000 0.000 0.263 178 E C -1.883 174.617 176.600 -0.167 0.000 0.881 178 E CA -0.592 55.739 56.400 -0.115 0.000 0.757 178 E CB 2.192 31.846 29.700 -0.077 0.000 1.147 178 E HN 0.744 nan 8.360 nan 0.000 0.414 179 V N 4.277 124.046 119.914 -0.240 0.000 2.656 179 V HA 0.361 4.481 4.120 0.000 0.000 0.307 179 V C -0.432 175.539 176.094 -0.205 0.000 1.051 179 V CA -0.900 61.216 62.300 -0.307 0.000 0.893 179 V CB 2.002 33.406 31.823 -0.699 0.000 0.999 179 V HN 0.507 nan 8.190 nan 0.000 0.426 180 V N 5.756 125.591 119.914 -0.132 0.000 2.394 180 V HA 0.444 4.564 4.120 0.000 0.000 0.282 180 V C 0.167 176.235 176.094 -0.043 0.000 1.031 180 V CA -0.361 61.897 62.300 -0.070 0.000 0.881 180 V CB 1.359 33.159 31.823 -0.039 0.000 0.982 180 V HN 0.616 nan 8.190 nan 0.000 0.451 181 L N 3.331 124.545 121.223 -0.015 0.000 2.469 181 L HA 0.441 4.781 4.340 0.000 0.000 0.253 181 L C 1.916 178.805 176.870 0.031 0.000 1.143 181 L CA -0.195 54.663 54.840 0.029 0.000 0.804 181 L CB 0.510 42.597 42.059 0.046 0.000 1.214 181 L HN 0.709 nan 8.230 nan 0.000 0.476 182 A N 0.728 123.572 122.820 0.039 0.000 1.940 182 A HA -0.216 4.104 4.320 0.000 0.000 0.219 182 A C 1.536 179.142 177.584 0.037 0.000 1.176 182 A CA 1.957 54.016 52.037 0.036 0.000 0.631 182 A CB -0.684 18.330 19.000 0.024 0.000 0.814 182 A HN 0.932 nan 8.150 nan 0.000 0.446 183 D N -2.418 117.994 120.400 0.020 0.000 2.349 183 D HA 0.282 4.922 4.640 0.000 0.000 0.224 183 D C 1.156 177.473 176.300 0.029 0.000 1.029 183 D CA 0.976 54.990 54.000 0.025 0.000 0.879 183 D CB -0.533 40.269 40.800 0.003 0.000 0.906 183 D HN 0.825 nan 8.370 nan 0.000 0.528 184 G N 0.232 109.047 108.800 0.026 0.000 2.175 184 G HA2 -0.315 3.645 3.960 0.000 0.000 0.244 184 G HA3 -0.315 3.645 3.960 0.000 0.000 0.244 184 G C 0.326 175.231 174.900 0.008 0.000 0.982 184 G CA -0.121 44.991 45.100 0.020 0.000 0.641 184 G HN 0.451 nan 8.290 nan 0.000 0.527 185 R N 0.009 120.513 120.500 0.007 0.000 2.643 185 R HA 0.479 4.819 4.340 0.000 0.000 0.270 185 R C 0.618 176.910 176.300 -0.015 0.000 1.061 185 R CA 0.124 56.224 56.100 -0.000 0.000 1.107 185 R CB 0.983 31.286 30.300 0.006 0.000 0.999 185 R HN 0.140 nan 8.270 nan 0.000 0.460 189 L N 3.026 124.227 121.223 -0.036 0.000 2.965 189 L HA 0.393 4.733 4.340 0.000 0.000 0.254 189 L C 0.470 177.334 176.870 -0.010 0.000 1.220 189 L CA -0.182 54.650 54.840 -0.013 0.000 1.023 189 L CB 0.195 42.257 42.059 0.004 0.000 1.355 189 L HN 0.340 nan 8.230 nan 0.000 0.545 190 L N 0.325 121.536 121.223 -0.019 0.000 2.499 190 L HA 0.141 4.481 4.340 0.000 0.000 0.273 190 L C 0.514 177.378 176.870 -0.010 0.000 1.195 190 L CA 0.682 55.512 54.840 -0.016 0.000 0.882 190 L CB 0.762 42.808 42.059 -0.023 0.000 1.133 190 L HN 0.175 nan 8.230 nan 0.000 0.483 191 S N 1.908 117.604 115.700 -0.006 0.000 2.543 191 S HA 0.322 4.792 4.470 0.000 0.000 0.274 191 S C -0.286 174.312 174.600 -0.004 0.000 1.149 191 S CA -0.846 57.352 58.200 -0.004 0.000 0.866 191 S CB 1.554 64.755 63.200 0.002 0.000 1.111 191 S HN 0.669 nan 8.310 nan 0.000 0.457 192 K N 2.255 122.650 120.400 -0.008 0.000 2.372 192 K HA 0.349 4.669 4.320 0.000 0.000 0.200 192 K C -0.215 176.378 176.600 -0.011 0.000 1.022 192 K CA -0.030 56.250 56.287 -0.011 0.000 1.125 192 K CB 0.076 32.566 32.500 -0.016 0.000 0.855 192 K HN 0.482 nan 8.250 nan 0.000 0.524 193 L N 1.777 122.997 121.223 -0.006 0.000 2.380 193 L HA 0.114 4.454 4.340 0.000 0.000 0.273 193 L C 1.254 178.122 176.870 -0.003 0.000 1.138 193 L CA -0.246 54.591 54.840 -0.005 0.000 0.832 193 L CB 0.661 42.720 42.059 -0.001 0.000 1.124 193 L HN -0.032 nan 8.230 nan 0.000 0.454 194 K N 1.944 122.340 120.400 -0.007 0.000 2.323 194 K HA 0.152 4.472 4.320 0.000 0.000 0.197 194 K C 0.037 176.639 176.600 0.003 0.000 1.043 194 K CA 0.657 56.941 56.287 -0.005 0.000 0.997 194 K CB 0.335 32.826 32.500 -0.015 0.000 0.807 194 K HN 0.473 nan 8.250 nan 0.000 0.497 195 K N 1.422 121.824 120.400 0.003 0.000 2.507 195 K HA 0.167 4.487 4.320 0.000 0.000 0.252 195 K C -1.574 175.030 176.600 0.007 0.000 0.943 195 K CA -0.417 55.874 56.287 0.007 0.000 0.808 195 K CB 1.637 34.140 32.500 0.005 0.000 1.142 195 K HN -0.189 nan 8.250 nan 0.000 0.426 196 D N 2.710 123.117 120.400 0.012 0.000 2.362 196 D HA 0.118 4.758 4.640 0.000 0.000 0.232 196 D C -1.332 174.977 176.300 0.016 0.000 1.329 196 D CA -0.462 53.544 54.000 0.011 0.000 0.944 196 D CB 0.544 41.350 40.800 0.011 0.000 1.471 196 D HN 0.279 nan 8.370 nan 0.000 0.533 197 N N 2.062 120.770 118.700 0.013 0.000 3.105 197 N HA 0.223 4.963 4.740 0.000 0.000 0.256 197 N C -0.693 174.822 175.510 0.008 0.000 1.174 197 N CA -0.127 52.934 53.050 0.018 0.000 1.030 197 N CB 1.097 39.595 38.487 0.019 0.000 1.305 197 N HN 0.338 nan 8.380 nan 0.000 0.509 198 T N -1.544 113.012 114.554 0.002 0.000 3.241 198 T HA 0.675 5.025 4.350 0.000 0.000 0.387 198 T C 0.609 175.286 174.700 -0.038 0.000 1.451 198 T CA -0.478 61.611 62.100 -0.018 0.000 1.363 198 T CB 0.623 69.481 68.868 -0.017 0.000 1.074 198 T HN 0.468 nan 8.240 nan 0.000 0.598 199 G N 1.919 110.680 108.800 -0.065 0.000 2.698 199 G HA2 -0.097 3.863 3.960 0.000 0.000 0.225 199 G HA3 -0.097 3.863 3.960 0.000 0.000 0.225 199 G C -0.882 174.007 174.900 -0.018 0.000 1.345 199 G CA -1.015 43.987 45.100 -0.163 0.000 0.871 199 G HN 0.678 nan 8.290 nan 0.000 0.540 200 Y N 0.487 120.796 120.300 0.015 0.000 2.480 200 Y HA 0.412 4.962 4.550 0.000 0.000 0.338 200 Y C 1.102 177.017 175.900 0.024 0.000 1.220 200 Y CA -0.573 57.536 58.100 0.015 0.000 1.430 200 Y CB 0.544 39.011 38.460 0.011 0.000 1.311 200 Y HN 0.548 nan 8.280 nan 0.000 0.575 201 D N 2.771 123.285 120.400 0.190 0.000 2.402 201 D HA 0.105 4.745 4.640 0.000 0.000 0.235 201 D C 0.331 176.702 176.300 0.118 0.000 1.226 201 D CA 0.292 54.364 54.000 0.121 0.000 0.918 201 D CB 0.111 40.961 40.800 0.082 0.000 1.043 201 D HN 0.594 nan 8.370 nan 0.000 0.506 202 L N 3.216 124.528 121.223 0.148 0.000 2.307 202 L HA 0.105 4.445 4.340 0.000 0.000 0.211 202 L C 2.506 179.532 176.870 0.261 0.000 1.099 202 L CA -0.086 54.864 54.840 0.183 0.000 0.816 202 L CB -0.197 42.011 42.059 0.248 0.000 0.952 202 L HN 0.354 nan 8.230 nan 0.000 0.455 203 R N 0.903 121.534 120.500 0.218 0.000 2.113 203 R HA -0.231 4.109 4.340 0.000 0.000 0.244 203 R C 1.588 178.021 176.300 0.221 0.000 1.142 203 R CA 2.244 58.479 56.100 0.225 0.000 0.953 203 R CB -0.202 30.175 30.300 0.128 0.000 0.860 203 R HN 0.325 nan 8.270 nan 0.000 0.438 204 D N 0.333 120.809 120.400 0.127 0.000 2.312 204 D HA -0.120 4.520 4.640 0.000 0.000 0.211 204 D C 1.759 178.074 176.300 0.026 0.000 0.964 204 D CA 0.495 54.541 54.000 0.077 0.000 0.877 204 D CB 0.052 40.881 40.800 0.047 0.000 0.924 204 D HN 0.201 nan 8.370 nan 0.000 0.515 205 L N -0.316 120.885 121.223 -0.037 0.000 2.141 205 L HA -0.085 4.255 4.340 0.000 0.000 0.209 205 L C 1.656 178.329 176.870 -0.329 0.000 1.094 205 L CA 1.386 56.082 54.840 -0.240 0.000 0.763 205 L CB -0.355 41.458 42.059 -0.410 0.000 0.908 205 L HN -0.093 nan 8.230 nan 0.000 0.437 206 F N -1.166 118.796 119.950 0.019 0.000 2.569 206 F HA 0.163 4.690 4.527 0.000 0.000 0.295 206 F C 1.170 176.984 175.800 0.023 0.000 1.115 206 F CA -0.200 57.812 58.000 0.019 0.000 1.450 206 F CB -0.290 38.722 39.000 0.020 0.000 1.107 206 F HN -0.223 nan 8.300 nan 0.000 0.563 207 I N 1.008 121.688 120.570 0.183 0.000 2.421 207 I HA 0.232 4.402 4.170 0.000 0.000 0.291 207 I C 1.195 177.356 176.117 0.073 0.000 1.089 207 I CA 0.476 61.849 61.300 0.121 0.000 1.354 207 I CB -0.168 37.896 38.000 0.107 0.000 1.413 207 I HN 0.438 nan 8.210 nan 0.000 0.513 208 G N 4.550 113.393 108.800 0.070 0.000 2.179 208 G HA2 -0.257 3.703 3.960 0.000 0.000 0.220 208 G HA3 -0.257 3.703 3.960 0.000 0.000 0.220 208 G C 0.913 175.834 174.900 0.035 0.000 0.990 208 G CA 0.126 45.253 45.100 0.046 0.000 0.646 208 G HN 0.745 nan 8.290 nan 0.000 0.517 209 A N 0.419 123.267 122.820 0.046 0.000 2.206 209 A HA 0.495 4.815 4.320 0.000 0.000 0.211 209 A C 1.287 178.899 177.584 0.047 0.000 1.158 209 A CA 1.626 53.682 52.037 0.030 0.000 0.761 209 A CB -0.430 18.591 19.000 0.035 0.000 0.801 209 A HN 1.274 nan 8.150 nan 0.000 0.473 210 E N -2.196 118.040 120.200 0.060 0.000 2.328 210 E HA -0.258 4.092 4.350 0.000 0.000 0.233 210 E C 0.840 177.474 176.600 0.056 0.000 1.219 210 E CA 0.362 56.796 56.400 0.057 0.000 0.717 210 E CB -2.186 27.542 29.700 0.047 0.000 1.210 210 E HN 1.450 nan 8.360 nan 0.000 0.381 211 G N -0.299 108.544 108.800 0.073 0.000 2.166 211 G HA2 -0.433 3.527 3.960 0.000 0.000 0.260 211 G HA3 -0.433 3.527 3.960 0.000 0.000 0.260 211 G C 0.790 175.728 174.900 0.064 0.000 0.986 211 G CA 1.314 46.457 45.100 0.071 0.000 0.683 211 G HN 0.744 nan 8.290 nan 0.000 0.527 212 T N -2.174 112.415 114.554 0.058 0.000 3.100 212 T HA 0.462 4.812 4.350 0.000 0.000 0.253 212 T C 1.820 176.551 174.700 0.052 0.000 1.118 212 T CA 0.970 63.094 62.100 0.041 0.000 1.058 212 T CB 0.086 68.965 68.868 0.019 0.000 0.953 212 T HN 0.403 nan 8.240 nan 0.000 0.515 213 L N 0.154 121.437 121.223 0.098 0.000 2.966 213 L HA 0.573 4.913 4.340 0.000 0.000 0.262 213 L C 1.084 178.123 176.870 0.282 0.000 1.165 213 L CA -0.252 54.670 54.840 0.137 0.000 0.978 213 L CB 0.489 42.556 42.059 0.012 0.000 1.337 213 L HN 0.580 nan 8.230 nan 0.000 0.563 214 G N 0.525 109.449 108.800 0.205 0.000 2.368 214 G HA2 0.158 4.118 3.960 0.000 0.000 0.302 214 G HA3 0.158 4.118 3.960 0.000 0.000 0.302 214 G C -1.527 173.414 174.900 0.069 0.000 1.329 214 G CA -0.891 44.287 45.100 0.130 0.000 0.935 214 G HN -0.088 nan 8.290 nan 0.000 0.590 215 I N 1.010 121.581 120.570 0.002 0.000 2.330 215 I HA 0.378 4.548 4.170 0.000 0.000 0.289 215 I C 0.341 176.424 176.117 -0.057 0.000 1.001 215 I CA -0.672 60.620 61.300 -0.013 0.000 1.193 215 I CB 1.487 39.478 38.000 -0.015 0.000 1.345 215 I HN 0.286 nan 8.210 nan 0.000 0.461 216 I N 5.955 126.500 120.570 -0.043 0.000 2.452 216 I HA 0.037 4.207 4.170 0.000 0.000 0.287 216 I C 1.400 177.489 176.117 -0.046 0.000 1.079 216 I CA 0.207 61.468 61.300 -0.065 0.000 1.387 216 I CB 1.196 39.181 38.000 -0.026 0.000 1.404 216 I HN 0.713 nan 8.210 nan 0.000 0.522 217 T N 2.009 116.527 114.554 -0.059 0.000 2.990 217 T HA 0.515 4.865 4.350 0.000 0.000 0.249 217 T C 0.399 175.074 174.700 -0.042 0.000 1.039 217 T CA 0.083 62.156 62.100 -0.045 0.000 1.036 217 T CB 0.551 69.390 68.868 -0.048 0.000 0.994 217 T HN 0.650 nan 8.240 nan 0.000 0.489 218 A N 0.077 122.870 122.820 -0.046 0.000 2.601 218 A HA 0.904 5.224 4.320 0.000 0.000 0.291 218 A C -1.510 176.052 177.584 -0.036 0.000 1.075 218 A CA -0.596 51.417 52.037 -0.041 0.000 0.671 218 A CB 0.971 19.945 19.000 -0.042 0.000 1.277 218 A HN 1.233 nan 8.150 nan 0.000 0.417 219 A N -0.233 122.569 122.820 -0.031 0.000 2.605 219 A HA 0.793 5.113 4.320 0.000 0.000 0.294 219 A C -0.659 176.912 177.584 -0.020 0.000 1.062 219 A CA -0.173 51.854 52.037 -0.017 0.000 0.682 219 A CB 1.062 20.065 19.000 0.005 0.000 1.278 219 A HN 1.213 nan 8.150 nan 0.000 0.410 220 T N 2.136 116.687 114.554 -0.006 0.000 2.767 220 T HA 0.630 4.980 4.350 0.000 0.000 0.284 220 T C -0.287 174.427 174.700 0.024 0.000 0.973 220 T CA -0.037 62.059 62.100 -0.006 0.000 0.996 220 T CB 0.213 69.077 68.868 -0.006 0.000 0.927 220 T HN 0.462 nan 8.240 nan 0.000 0.456 221 L N 2.266 123.504 121.223 0.025 0.000 2.301 221 L HA 0.583 4.923 4.340 0.000 0.000 0.264 221 L C 0.232 177.171 176.870 0.115 0.000 1.016 221 L CA -1.352 53.556 54.840 0.113 0.000 0.821 221 L CB 1.731 43.877 42.059 0.147 0.000 1.346 221 L HN 0.367 nan 8.230 nan 0.000 0.429 222 K N 1.508 122.015 120.400 0.179 0.000 2.185 222 K HA 0.555 4.875 4.320 0.000 0.000 0.271 222 K C -1.020 175.657 176.600 0.128 0.000 1.013 222 K CA -0.343 55.963 56.287 0.031 0.000 0.943 222 K CB 1.034 33.446 32.500 -0.147 0.000 0.998 222 K HN 0.346 nan 8.250 nan 0.000 0.468 223 L N 2.903 124.095 121.223 -0.051 0.000 2.334 223 L HA 0.537 4.877 4.340 0.000 0.000 0.273 223 L C -0.709 176.062 176.870 -0.165 0.000 1.013 223 L CA -0.874 54.008 54.840 0.070 0.000 0.816 223 L CB 0.786 42.879 42.059 0.055 0.000 1.278 223 L HN 0.460 nan 8.230 nan 0.000 0.431 224 F N 0.745 120.719 119.950 0.040 0.000 2.598 224 F HA 0.558 5.085 4.527 0.000 0.000 0.327 224 F C -2.136 173.682 175.800 0.030 0.000 1.057 224 F CA -2.428 55.591 58.000 0.033 0.000 0.957 224 F CB 1.104 40.106 39.000 0.004 0.000 1.278 224 F HN 0.194 nan 8.300 nan 0.000 0.484 225 P HA 0.046 nan 4.420 nan 0.000 0.269 225 P C -1.102 176.281 177.300 0.137 0.000 1.209 225 P CA -0.423 62.766 63.100 0.148 0.000 0.776 225 P CB 0.528 32.309 31.700 0.135 0.000 0.876 226 K N 4.198 124.652 120.400 0.090 0.000 2.312 226 K HA 0.239 4.559 4.320 0.000 0.000 0.287 226 K C -2.040 174.601 176.600 0.069 0.000 1.062 226 K CA -1.902 54.425 56.287 0.067 0.000 0.934 226 K CB -0.034 32.495 32.500 0.047 0.000 1.027 226 K HN 0.342 nan 8.250 nan 0.000 0.478 227 P HA 0.062 nan 4.420 nan 0.000 0.271 227 P C -0.587 176.745 177.300 0.052 0.000 1.216 227 P CA -0.040 63.103 63.100 0.072 0.000 0.776 227 P CB 0.892 32.641 31.700 0.083 0.000 0.881 228 R N 1.181 121.710 120.500 0.049 0.000 2.290 228 R HA 0.363 4.703 4.340 0.000 0.000 0.197 228 R C 0.477 176.799 176.300 0.038 0.000 0.913 228 R CA 0.214 56.337 56.100 0.039 0.000 1.040 228 R CB 0.484 30.805 30.300 0.036 0.000 0.992 228 R HN 0.521 nan 8.270 nan 0.000 0.500 229 A N 0.842 123.688 122.820 0.044 0.000 2.381 229 A HA 0.563 4.883 4.320 0.000 0.000 0.299 229 A C -1.054 176.562 177.584 0.054 0.000 1.049 229 A CA -0.512 51.551 52.037 0.044 0.000 0.715 229 A CB 1.825 20.850 19.000 0.041 0.000 1.222 229 A HN -0.036 nan 8.150 nan 0.000 0.428 230 V N 3.190 123.138 119.914 0.057 0.000 2.483 230 V HA 0.519 4.639 4.120 0.000 0.000 0.297 230 V C -0.763 175.380 176.094 0.082 0.000 1.027 230 V CA -0.547 61.798 62.300 0.075 0.000 0.855 230 V CB 1.627 33.495 31.823 0.075 0.000 0.995 230 V HN 0.903 nan 8.190 nan 0.000 0.424 231 E N 2.472 122.727 120.200 0.092 0.000 2.222 231 E HA 0.687 5.037 4.350 0.000 0.000 0.267 231 E C -0.803 175.866 176.600 0.115 0.000 0.884 231 E CA -0.453 56.000 56.400 0.089 0.000 0.764 231 E CB 2.623 32.365 29.700 0.071 0.000 1.169 231 E HN 0.656 nan 8.360 nan 0.000 0.413 232 T N 0.440 115.065 114.554 0.119 0.000 2.907 232 T HA 0.829 5.179 4.350 0.000 0.000 0.292 232 T C -0.906 173.900 174.700 0.177 0.000 1.043 232 T CA -0.812 61.375 62.100 0.145 0.000 1.003 232 T CB 1.907 70.897 68.868 0.203 0.000 1.084 232 T HN 0.517 nan 8.240 nan 0.000 0.483 233 A N 1.570 124.463 122.820 0.122 0.000 2.547 233 A HA 0.745 5.065 4.320 0.000 0.000 0.297 233 A C -1.829 175.681 177.584 -0.124 0.000 1.056 233 A CA -0.692 51.434 52.037 0.148 0.000 0.688 233 A CB 1.037 20.080 19.000 0.072 0.000 1.282 233 A HN 0.672 nan 8.150 nan 0.000 0.400 234 F N 1.591 121.410 119.950 -0.219 0.000 2.408 234 F HA 0.593 5.120 4.527 0.000 0.000 0.344 234 F C 0.121 175.800 175.800 -0.202 0.000 1.112 234 F CA 0.021 57.789 58.000 -0.386 0.000 1.096 234 F CB 2.002 40.573 39.000 -0.716 0.000 1.129 234 F HN 0.373 nan 8.300 nan 0.000 0.486 235 V N 2.906 122.818 119.914 -0.003 0.000 2.680 235 V HA 0.729 4.849 4.120 0.000 0.000 0.309 235 V C 0.026 176.060 176.094 -0.100 0.000 1.052 235 V CA -0.942 61.298 62.300 -0.099 0.000 0.908 235 V CB 1.831 33.533 31.823 -0.200 0.000 1.001 235 V HN 0.850 nan 8.190 nan 0.000 0.431 236 G N 3.564 112.145 108.800 -0.365 0.000 2.417 236 G HA2 0.718 4.678 3.960 0.000 0.000 0.320 236 G HA3 0.718 4.678 3.960 0.000 0.000 0.320 236 G C -1.325 173.194 174.900 -0.635 0.000 1.204 236 G CA -0.281 44.380 45.100 -0.733 0.000 0.923 236 G HN 0.444 nan 8.290 nan 0.000 0.466 237 L N 0.855 121.873 121.223 -0.342 0.000 2.303 237 L HA 0.503 4.843 4.340 0.000 0.000 0.256 237 L C 1.081 177.969 176.870 0.029 0.000 1.034 237 L CA -0.882 53.870 54.840 -0.146 0.000 0.832 237 L CB 1.694 43.710 42.059 -0.071 0.000 1.403 237 L HN 0.303 nan 8.230 nan 0.000 0.419 238 Q N 0.035 119.871 119.800 0.061 0.000 2.354 238 Q HA 0.198 4.538 4.340 0.000 0.000 0.203 238 Q C -0.004 176.111 176.000 0.191 0.000 0.933 238 Q CA 0.574 56.458 55.803 0.135 0.000 0.901 238 Q CB 0.611 29.398 28.738 0.082 0.000 1.007 238 Q HN 0.788 nan 8.270 nan 0.000 0.495 239 S N -2.059 113.670 115.700 0.048 0.000 2.588 239 S HA 0.397 4.867 4.470 0.000 0.000 0.269 239 S C -2.631 171.701 174.600 -0.446 0.000 1.157 239 S CA -1.175 56.911 58.200 -0.191 0.000 0.824 239 S CB 1.958 65.089 63.200 -0.114 0.000 1.126 239 S HN -0.294 nan 8.310 nan 0.000 0.464 240 P HA -0.023 nan 4.420 nan 0.000 0.220 240 P C 0.819 177.943 177.300 -0.293 0.000 1.148 240 P CA 0.933 63.645 63.100 -0.648 0.000 0.803 240 P CB 0.042 31.275 31.700 -0.779 0.000 0.782 241 D N -0.723 119.538 120.400 -0.231 0.000 2.149 241 D HA -0.139 4.501 4.640 0.000 0.000 0.201 241 D C 1.243 177.485 176.300 -0.097 0.000 0.972 241 D CA 1.015 54.935 54.000 -0.134 0.000 0.835 241 D CB -0.143 40.595 40.800 -0.104 0.000 0.966 241 D HN 0.032 nan 8.370 nan 0.000 0.476 242 D N 0.262 120.605 120.400 -0.096 0.000 2.117 242 D HA -0.079 4.561 4.640 0.000 0.000 0.198 242 D C 1.966 178.246 176.300 -0.033 0.000 0.982 242 D CA 1.022 54.987 54.000 -0.059 0.000 0.828 242 D CB -0.303 40.466 40.800 -0.052 0.000 0.967 242 D HN 0.179 nan 8.370 nan 0.000 0.464 243 A N 0.720 123.523 122.820 -0.029 0.000 1.933 243 A HA -0.148 4.172 4.320 0.000 0.000 0.218 243 A C 2.128 179.763 177.584 0.085 0.000 1.175 243 A CA 0.979 53.065 52.037 0.083 0.000 0.628 243 A CB -0.636 18.414 19.000 0.084 0.000 0.814 243 A HN 0.255 nan 8.150 nan 0.000 0.444 244 L N -0.297 120.910 121.223 -0.027 0.000 2.093 244 L HA -0.097 4.243 4.340 0.000 0.000 0.208 244 L C 2.136 178.947 176.870 -0.098 0.000 1.085 244 L CA 2.168 56.958 54.840 -0.083 0.000 0.755 244 L CB -0.478 41.529 42.059 -0.087 0.000 0.904 244 L HN 0.332 nan 8.230 nan 0.000 0.435 245 K N -0.967 119.395 120.400 -0.063 0.000 2.057 245 K HA -0.146 4.174 4.320 0.000 0.000 0.206 245 K C 1.989 178.559 176.600 -0.050 0.000 1.050 245 K CA 1.382 57.634 56.287 -0.058 0.000 0.935 245 K CB -0.391 32.084 32.500 -0.042 0.000 0.715 245 K HN 0.220 nan 8.250 nan 0.000 0.439 246 L N 1.388 122.610 121.223 -0.002 0.000 2.083 246 L HA -0.128 4.212 4.340 0.000 0.000 0.209 246 L C 1.991 178.857 176.870 -0.006 0.000 1.083 246 L CA 1.274 56.154 54.840 0.066 0.000 0.752 246 L CB -0.480 41.690 42.059 0.184 0.000 0.899 246 L HN 0.103 nan 8.230 nan 0.000 0.433 247 L N -0.290 120.759 121.223 -0.289 0.000 2.046 247 L HA -0.030 4.310 4.340 0.000 0.000 0.208 247 L C 2.338 178.970 176.870 -0.395 0.000 1.077 247 L CA 2.123 56.452 54.840 -0.852 0.000 0.747 247 L CB -1.445 40.031 42.059 -0.972 0.000 0.896 247 L HN 0.283 nan 8.230 nan 0.000 0.432 248 G N -0.209 108.451 108.800 -0.233 0.000 2.440 248 G HA2 -0.266 3.694 3.960 0.000 0.000 0.218 248 G HA3 -0.266 3.694 3.960 0.000 0.000 0.218 248 G C 1.624 176.464 174.900 -0.099 0.000 1.154 248 G CA 1.284 46.298 45.100 -0.145 0.000 0.767 248 G HN 0.497 nan 8.290 nan 0.000 0.552 249 I N 1.335 121.863 120.570 -0.070 0.000 2.179 249 I HA -0.150 4.020 4.170 0.000 0.000 0.242 249 I C 3.313 179.417 176.117 -0.021 0.000 1.088 249 I CA 0.989 62.271 61.300 -0.030 0.000 1.357 249 I CB -0.275 37.722 38.000 -0.005 0.000 1.051 249 I HN 0.238 nan 8.210 nan 0.000 0.409 250 A N 0.249 123.059 122.820 -0.017 0.000 1.908 250 A HA -0.278 4.042 4.320 0.000 0.000 0.218 250 A C 2.267 179.835 177.584 -0.026 0.000 1.181 250 A CA 1.736 53.783 52.037 0.016 0.000 0.627 250 A CB -0.692 18.368 19.000 0.100 0.000 0.818 250 A HN 0.479 nan 8.150 nan 0.000 0.445 251 Q N -0.988 118.762 119.800 -0.083 0.000 2.061 251 Q HA -0.130 4.210 4.340 0.000 0.000 0.204 251 Q C 2.216 178.186 176.000 -0.050 0.000 0.984 251 Q CA 1.365 57.120 55.803 -0.080 0.000 0.846 251 Q CB -0.491 28.180 28.738 -0.113 0.000 0.902 251 Q HN 0.685 nan 8.270 nan 0.000 0.421 252 G N 0.239 109.012 108.800 -0.045 0.000 2.443 252 G HA2 -0.265 3.695 3.960 0.000 0.000 0.219 252 G HA3 -0.265 3.695 3.960 0.000 0.000 0.219 252 G C 1.263 176.154 174.900 -0.015 0.000 1.131 252 G CA 0.914 45.997 45.100 -0.029 0.000 0.775 252 G HN 0.247 nan 8.290 nan 0.000 0.547 253 E N -0.139 120.056 120.200 -0.009 0.000 2.216 253 E HA 0.343 4.693 4.350 0.000 0.000 0.192 253 E C 2.313 178.917 176.600 0.006 0.000 0.973 253 E CA 0.984 57.387 56.400 0.004 0.000 0.851 253 E CB 0.004 29.713 29.700 0.015 0.000 0.804 253 E HN 0.237 nan 8.360 nan 0.000 0.477 254 A N -0.207 122.615 122.820 0.003 0.000 2.192 254 A HA 0.679 4.999 4.320 0.000 0.000 0.208 254 A C 1.373 178.948 177.584 -0.015 0.000 1.220 254 A CA 0.862 52.901 52.037 0.003 0.000 0.900 254 A CB -0.153 18.857 19.000 0.017 0.000 0.937 254 A HN 0.354 nan 8.150 nan 0.000 0.487 255 A N -0.965 121.839 122.820 -0.026 0.000 5.391 255 A HA -0.206 4.114 4.320 0.000 0.000 0.315 255 A C 2.140 179.687 177.584 -0.061 0.000 1.874 255 A CA 1.899 53.912 52.037 -0.040 0.000 0.714 255 A CB -1.970 17.013 19.000 -0.029 0.000 1.335 255 A HN 1.723 nan 8.150 nan 0.000 0.382 256 G N -1.064 107.695 108.800 -0.068 0.000 2.535 256 G HA2 -0.050 3.910 3.960 0.000 0.000 0.218 256 G HA3 -0.050 3.910 3.960 0.000 0.000 0.218 256 G C 0.832 175.645 174.900 -0.145 0.000 1.122 256 G CA 1.455 46.484 45.100 -0.118 0.000 0.769 256 G HN 0.715 nan 8.290 nan 0.000 0.549 257 N N -0.307 118.348 118.700 -0.076 0.000 2.463 257 N HA 0.029 4.769 4.740 0.000 0.000 0.181 257 N C 0.589 176.076 175.510 -0.039 0.000 1.078 257 N CA -0.079 52.941 53.050 -0.049 0.000 0.902 257 N CB 0.037 38.521 38.487 -0.004 0.000 0.970 257 N HN 0.270 nan 8.380 nan 0.000 0.451 258 L N 2.021 123.218 121.223 -0.044 0.000 2.462 258 L HA 0.119 4.459 4.340 0.000 0.000 0.283 258 L C 1.193 178.044 176.870 -0.031 0.000 1.166 258 L CA 0.299 55.140 54.840 0.002 0.000 0.964 258 L CB -0.170 41.899 42.059 0.017 0.000 1.294 258 L HN 0.089 nan 8.230 nan 0.000 0.449 259 T N -1.163 113.391 114.554 0.001 0.000 3.065 259 T HA 0.256 4.606 4.350 0.000 0.000 0.252 259 T C 0.632 175.385 174.700 0.088 0.000 1.099 259 T CA 0.205 62.299 62.100 -0.009 0.000 1.063 259 T CB -0.045 68.852 68.868 0.049 0.000 0.948 259 T HN 0.481 nan 8.240 nan 0.000 0.506 260 S N 0.125 115.919 115.700 0.158 0.000 2.543 260 S HA 0.635 5.105 4.470 0.000 0.000 0.271 260 S C -1.973 172.767 174.600 0.233 0.000 1.148 260 S CA -0.799 57.539 58.200 0.230 0.000 0.914 260 S CB 1.826 65.270 63.200 0.406 0.000 1.096 260 S HN 0.317 nan 8.310 nan 0.000 0.471 261 F N 2.439 122.435 119.950 0.077 0.000 3.167 261 F HA 0.335 4.862 4.527 0.000 0.000 0.389 261 F C -0.659 175.182 175.800 0.069 0.000 1.233 261 F CA -0.230 57.789 58.000 0.032 0.000 1.238 261 F CB 0.637 39.646 39.000 0.015 0.000 1.971 261 F HN 0.412 nan 8.300 nan 0.000 0.651 262 E N 3.726 123.921 120.200 -0.009 0.000 2.259 262 E HA 0.280 4.630 4.350 0.000 0.000 0.281 262 E C -1.050 175.564 176.600 0.023 0.000 1.027 262 E CA -0.733 55.718 56.400 0.086 0.000 0.838 262 E CB 2.489 32.209 29.700 0.033 0.000 1.066 262 E HN 0.488 nan 8.360 nan 0.000 0.401 263 L N 4.615 125.949 121.223 0.185 0.000 2.282 263 L HA 0.443 4.783 4.340 0.000 0.000 0.288 263 L C -0.908 176.166 176.870 0.340 0.000 1.033 263 L CA -0.191 54.795 54.840 0.243 0.000 0.807 263 L CB 0.554 42.770 42.059 0.262 0.000 1.209 263 L HN 0.416 nan 8.230 nan 0.000 0.423 264 I N 5.274 126.069 120.570 0.376 0.000 2.478 264 I HA 0.568 4.738 4.170 0.000 0.000 0.287 264 I C 0.174 176.474 176.117 0.304 0.000 1.042 264 I CA -0.763 60.734 61.300 0.327 0.000 1.067 264 I CB 1.833 39.934 38.000 0.170 0.000 1.233 264 I HN 0.764 nan 8.210 nan 0.000 0.431 265 A N 4.483 127.334 122.820 0.052 0.000 2.346 265 A HA 0.190 4.510 4.320 0.000 0.000 0.252 265 A C 1.262 178.658 177.584 -0.312 0.000 1.089 265 A CA -0.088 51.581 52.037 -0.612 0.000 0.797 265 A CB 0.480 18.990 19.000 -0.818 0.000 1.047 265 A HN 0.913 nan 8.150 nan 0.000 0.494 266 E N 0.077 120.047 120.200 -0.384 0.000 2.077 266 E HA -0.168 4.182 4.350 0.000 0.000 0.193 266 E C 1.627 178.088 176.600 -0.232 0.000 0.989 266 E CA 1.888 58.211 56.400 -0.129 0.000 0.800 266 E CB -0.175 29.448 29.700 -0.129 0.000 0.746 266 E HN 0.792 nan 8.360 nan 0.000 0.452 267 T N 1.457 115.802 114.554 -0.349 0.000 2.652 267 T HA -0.117 4.233 4.350 0.000 0.000 0.267 267 T C -1.115 173.109 174.700 -0.794 0.000 1.039 267 T CA 1.841 63.630 62.100 -0.519 0.000 1.153 267 T CB -1.066 67.464 68.868 -0.563 0.000 0.863 267 T HN 0.310 nan 8.240 nan 0.000 0.428 268 P HA 0.020 nan 4.420 nan 0.000 0.218 268 P C 1.784 178.883 177.300 -0.334 0.000 1.149 268 P CA 0.742 63.517 63.100 -0.541 0.000 0.817 268 P CB -0.194 31.273 31.700 -0.390 0.000 0.785 269 L N 0.235 121.278 121.223 -0.300 0.000 2.027 269 L HA -0.126 4.214 4.340 0.000 0.000 0.206 269 L C 2.368 179.121 176.870 -0.194 0.000 1.074 269 L CA 2.013 56.674 54.840 -0.299 0.000 0.745 269 L CB -1.017 40.745 42.059 -0.497 0.000 0.898 269 L HN -0.115 nan 8.230 nan 0.000 0.433 270 D N -0.343 119.974 120.400 -0.139 0.000 2.116 270 D HA -0.269 4.371 4.640 0.000 0.000 0.193 270 D C 2.105 178.513 176.300 0.181 0.000 0.998 270 D CA 1.657 55.657 54.000 -0.000 0.000 0.836 270 D CB -0.099 40.724 40.800 0.038 0.000 0.951 270 D HN 0.324 nan 8.370 nan 0.000 0.449 271 F N 1.147 121.064 119.950 -0.055 0.000 2.095 271 F HA -0.121 4.406 4.527 0.000 0.000 0.298 271 F C 3.068 178.878 175.800 0.017 0.000 1.104 271 F CA 0.908 58.931 58.000 0.038 0.000 1.232 271 F CB -1.432 37.554 39.000 -0.023 0.000 0.987 271 F HN -0.020 nan 8.300 nan 0.000 0.475 272 S N -0.155 115.619 115.700 0.124 0.000 2.368 272 S HA -0.125 4.345 4.470 0.000 0.000 0.225 272 S C 2.285 176.876 174.600 -0.014 0.000 1.030 272 S CA 1.271 59.482 58.200 0.019 0.000 0.999 272 S CB -0.487 62.672 63.200 -0.068 0.000 0.844 272 S HN 0.074 nan 8.310 nan 0.000 0.459 273 V N 2.002 121.883 119.914 -0.055 0.000 2.270 273 V HA -0.111 4.009 4.120 0.000 0.000 0.245 273 V C 2.629 178.666 176.094 -0.094 0.000 1.043 273 V CA 1.940 64.188 62.300 -0.087 0.000 1.014 273 V CB -0.612 31.141 31.823 -0.117 0.000 0.645 273 V HN 0.437 nan 8.190 nan 0.000 0.447 274 R N -1.075 119.351 120.500 -0.122 0.000 2.148 274 R HA -0.023 4.317 4.340 0.000 0.000 0.223 274 R C 1.923 177.964 176.300 -0.432 0.000 1.088 274 R CA 1.017 56.943 56.100 -0.290 0.000 0.985 274 R CB -0.163 29.906 30.300 -0.385 0.000 0.880 274 R HN 0.638 nan 8.270 nan 0.000 0.451 275 H N -1.786 117.253 119.070 -0.052 0.000 2.827 275 H HA 0.301 4.857 4.556 0.000 0.000 0.269 275 H C 0.585 175.889 175.328 -0.040 0.000 1.031 275 H CA 0.404 56.415 56.048 -0.062 0.000 1.202 275 H CB 1.224 30.927 29.762 -0.098 0.000 1.511 275 H HN 0.133 nan 8.280 nan 0.000 0.517 276 A N 1.032 123.882 122.820 0.051 0.000 2.589 276 A HA 0.100 4.420 4.320 0.000 0.000 0.283 276 A C 0.491 178.077 177.584 0.004 0.000 1.187 276 A CA -0.250 51.805 52.037 0.030 0.000 0.957 276 A CB -0.059 18.960 19.000 0.032 0.000 1.175 276 A HN 0.282 nan 8.150 nan 0.000 0.532 277 N N 1.207 119.897 118.700 -0.018 0.000 2.667 277 N HA -0.156 4.584 4.740 0.000 0.000 0.263 277 N C -1.241 174.256 175.510 -0.021 0.000 1.038 277 N CA 0.802 53.836 53.050 -0.027 0.000 0.749 277 N CB -1.378 37.100 38.487 -0.016 0.000 0.892 277 N HN 0.563 nan 8.380 nan 0.000 0.546 278 N N 0.768 119.448 118.700 -0.035 0.000 2.319 278 N HA 0.271 5.011 4.740 0.000 0.000 0.305 278 N C -0.335 175.138 175.510 -0.062 0.000 1.103 278 N CA -0.579 52.449 53.050 -0.036 0.000 0.815 278 N CB 1.432 39.894 38.487 -0.042 0.000 1.288 278 N HN 0.321 nan 8.380 nan 0.000 0.493 279 R N 1.119 121.589 120.500 -0.049 0.000 2.267 279 R HA 0.031 4.371 4.340 0.000 0.000 0.319 279 R C -0.553 175.669 176.300 -0.131 0.000 1.067 279 R CA -0.409 55.655 56.100 -0.060 0.000 0.936 279 R CB 0.331 30.624 30.300 -0.011 0.000 1.006 279 R HN 0.423 nan 8.270 nan 0.000 0.452 280 D N 6.231 126.544 120.400 -0.145 0.000 2.412 280 D HA 0.002 4.642 4.640 0.000 0.000 0.257 280 D C -1.391 174.784 176.300 -0.208 0.000 1.217 280 D CA -1.642 52.229 54.000 -0.214 0.000 0.897 280 D CB 1.430 42.144 40.800 -0.143 0.000 1.132 280 D HN 0.424 nan 8.370 nan 0.000 0.493 281 P HA 0.048 nan 4.420 nan 0.000 0.241 281 P C 0.016 177.243 177.300 -0.123 0.000 1.191 281 P CA 0.387 63.294 63.100 -0.321 0.000 0.771 281 P CB 0.462 31.595 31.700 -0.944 0.000 0.929 282 L N -1.086 120.106 121.223 -0.052 0.000 2.371 282 L HA 0.332 4.672 4.340 0.000 0.000 0.262 282 L C 1.774 178.696 176.870 0.087 0.000 1.006 282 L CA -0.850 54.044 54.840 0.090 0.000 0.818 282 L CB 2.104 44.306 42.059 0.238 0.000 1.354 282 L HN -0.320 nan 8.230 nan 0.000 0.415 283 E N 1.784 122.046 120.200 0.103 0.000 2.049 283 E HA -0.109 4.241 4.350 0.000 0.000 0.198 283 E C 0.454 177.073 176.600 0.031 0.000 1.007 283 E CA 1.755 58.193 56.400 0.063 0.000 0.809 283 E CB 0.242 29.986 29.700 0.074 0.000 0.749 283 E HN 0.662 nan 8.360 nan 0.000 0.450 284 A N -0.362 122.482 122.820 0.040 0.000 2.288 284 A HA 0.648 4.968 4.320 0.000 0.000 0.328 284 A C -0.478 176.977 177.584 -0.214 0.000 1.123 284 A CA -0.696 51.264 52.037 -0.129 0.000 0.861 284 A CB 0.978 19.830 19.000 -0.247 0.000 1.272 284 A HN 0.069 nan 8.150 nan 0.000 0.490 285 R N -0.529 119.766 120.500 -0.340 0.000 2.457 285 R HA 0.526 4.866 4.340 0.000 0.000 0.284 285 R C -1.636 174.266 176.300 -0.663 0.000 1.024 285 R CA 0.081 56.034 56.100 -0.245 0.000 1.025 285 R CB 0.720 30.946 30.300 -0.122 0.000 1.063 285 R HN 0.696 nan 8.270 nan 0.000 0.493 286 Y N 1.245 121.447 120.300 -0.163 0.000 2.536 286 Y HA 0.300 4.850 4.550 0.000 0.000 0.347 286 Y C -1.277 174.418 175.900 -0.341 0.000 1.000 286 Y CA -2.111 55.780 58.100 -0.349 0.000 1.051 286 Y CB 1.771 39.880 38.460 -0.584 0.000 1.259 286 Y HN 0.407 nan 8.280 nan 0.000 0.468 287 P HA -0.094 nan 4.420 nan 0.000 0.219 287 P C -0.738 176.237 177.300 -0.542 0.000 1.150 287 P CA 1.419 64.388 63.100 -0.218 0.000 0.814 287 P CB 0.566 32.258 31.700 -0.014 0.000 0.787 288 W N -1.313 119.919 121.300 -0.113 0.000 2.936 288 W HA 0.507 5.167 4.660 0.000 0.000 0.338 288 W C -0.705 175.657 176.519 -0.261 0.000 1.121 288 W CA -0.519 56.788 57.345 -0.063 0.000 1.209 288 W CB 1.193 30.645 29.460 -0.014 0.000 1.420 288 W HN -0.242 nan 8.180 nan 0.000 0.516 289 Y N 0.525 120.989 120.300 0.274 0.000 2.576 289 Y HA 0.758 5.308 4.550 0.000 0.000 0.346 289 Y C -0.467 175.463 175.900 0.050 0.000 1.018 289 Y CA -1.473 56.715 58.100 0.146 0.000 1.050 289 Y CB 1.861 40.442 38.460 0.203 0.000 1.280 289 Y HN -0.005 nan 8.280 nan 0.000 0.474 290 V N 2.923 122.850 119.914 0.021 0.000 2.623 290 V HA 0.337 4.457 4.120 0.000 0.000 0.304 290 V C -1.387 174.343 176.094 -0.607 0.000 1.054 290 V CA -0.689 61.422 62.300 -0.315 0.000 0.882 290 V CB 2.025 33.550 31.823 -0.496 0.000 1.002 290 V HN 0.520 nan 8.190 nan 0.000 0.424 291 L N 6.829 127.592 121.223 -0.766 0.000 2.264 291 L HA 0.629 4.969 4.340 0.000 0.000 0.287 291 L C -0.537 175.923 176.870 -0.685 0.000 1.039 291 L CA 0.261 54.481 54.840 -1.033 0.000 0.829 291 L CB 0.774 42.090 42.059 -1.238 0.000 1.211 291 L HN 0.669 nan 8.230 nan 0.000 0.427 292 I N 4.213 124.453 120.570 -0.549 0.000 2.460 292 I HA 0.519 4.689 4.170 0.000 0.000 0.298 292 I C -0.894 175.161 176.117 -0.103 0.000 0.989 292 I CA -0.319 60.787 61.300 -0.323 0.000 1.173 292 I CB 1.506 39.314 38.000 -0.319 0.000 1.338 292 I HN 0.792 nan 8.210 nan 0.000 0.456 293 E N 6.407 126.638 120.200 0.052 0.000 2.308 293 E HA 0.503 4.853 4.350 0.000 0.000 0.275 293 E C -2.098 174.581 176.600 0.132 0.000 0.890 293 E CA -0.686 55.803 56.400 0.148 0.000 0.754 293 E CB 1.881 31.783 29.700 0.336 0.000 1.207 293 E HN 0.491 nan 8.360 nan 0.000 0.426 294 L N 2.322 123.612 121.223 0.111 0.000 2.365 294 L HA 0.512 4.852 4.340 0.000 0.000 0.273 294 L C -0.785 176.134 176.870 0.081 0.000 1.000 294 L CA -0.445 54.444 54.840 0.082 0.000 0.819 294 L CB 2.162 44.261 42.059 0.067 0.000 1.284 294 L HN 0.446 nan 8.230 nan 0.000 0.418 295 S N 1.023 116.762 115.700 0.066 0.000 2.519 295 S HA 0.727 5.197 4.470 0.000 0.000 0.309 295 S C -0.623 174.013 174.600 0.059 0.000 1.100 295 S CA -0.594 57.650 58.200 0.073 0.000 1.059 295 S CB 1.704 64.965 63.200 0.101 0.000 1.008 295 S HN 0.539 nan 8.310 nan 0.000 0.478 296 S N 2.810 118.545 115.700 0.059 0.000 2.542 296 S HA 0.623 5.093 4.470 0.000 0.000 0.293 296 S C -2.095 172.538 174.600 0.056 0.000 1.089 296 S CA -1.969 56.262 58.200 0.052 0.000 0.961 296 S CB 1.423 64.649 63.200 0.043 0.000 1.062 296 S HN 0.401 nan 8.310 nan 0.000 0.483 297 P HA 0.042 nan 4.420 nan 0.000 0.221 297 P C 0.584 177.909 177.300 0.043 0.000 1.155 297 P CA 0.341 63.474 63.100 0.055 0.000 0.812 297 P CB 0.180 31.915 31.700 0.058 0.000 0.801 298 R N -0.030 120.493 120.500 0.038 0.000 2.541 298 R HA 0.280 4.620 4.340 0.000 0.000 0.254 298 R C 0.609 176.928 176.300 0.033 0.000 1.130 298 R CA -0.444 55.675 56.100 0.032 0.000 1.152 298 R CB -0.916 29.401 30.300 0.029 0.000 1.222 298 R HN 0.022 nan 8.270 nan 0.000 0.579 299 D N 1.080 121.498 120.400 0.029 0.000 2.889 299 D HA 0.083 4.724 4.640 0.000 0.000 0.243 299 D C -0.338 175.980 176.300 0.029 0.000 1.270 299 D CA 0.031 54.048 54.000 0.029 0.000 0.838 299 D CB -0.297 40.518 40.800 0.025 0.000 1.040 299 D HN 0.577 nan 8.370 nan 0.000 0.480 300 D N -1.979 118.439 120.400 0.030 0.000 2.571 300 D HA 0.176 4.816 4.640 0.000 0.000 0.239 300 D C 1.376 177.696 176.300 0.034 0.000 1.267 300 D CA -0.390 53.628 54.000 0.030 0.000 0.823 300 D CB 0.274 41.090 40.800 0.027 0.000 1.056 300 D HN 0.011 nan 8.370 nan 0.000 0.494 301 A N 0.826 123.668 122.820 0.038 0.000 1.898 301 A HA -0.120 4.200 4.320 0.000 0.000 0.216 301 A C 2.238 179.850 177.584 0.046 0.000 1.181 301 A CA 1.122 53.185 52.037 0.044 0.000 0.620 301 A CB -0.485 18.545 19.000 0.050 0.000 0.819 301 A HN 0.216 nan 8.150 nan 0.000 0.442 302 R N -0.453 120.074 120.500 0.044 0.000 2.092 302 R HA -0.075 4.265 4.340 0.000 0.000 0.231 302 R C 2.339 178.666 176.300 0.045 0.000 1.119 302 R CA 1.258 57.386 56.100 0.046 0.000 0.970 302 R CB -0.370 29.956 30.300 0.042 0.000 0.864 302 R HN 0.458 nan 8.270 nan 0.000 0.440 303 A N 0.865 123.709 122.820 0.039 0.000 1.865 303 A HA -0.181 4.139 4.320 0.000 0.000 0.217 303 A C 2.359 179.967 177.584 0.040 0.000 1.191 303 A CA 1.937 53.996 52.037 0.037 0.000 0.623 303 A CB -0.947 18.072 19.000 0.031 0.000 0.826 303 A HN 0.518 nan 8.150 nan 0.000 0.444 304 A N -0.816 122.028 122.820 0.039 0.000 1.933 304 A HA -0.036 4.284 4.320 0.000 0.000 0.218 304 A C 2.140 179.753 177.584 0.048 0.000 1.175 304 A CA 1.808 53.869 52.037 0.039 0.000 0.628 304 A CB -0.603 18.418 19.000 0.035 0.000 0.814 304 A HN 0.718 nan 8.150 nan 0.000 0.444 305 L N 0.178 121.433 121.223 0.053 0.000 2.017 305 L HA -0.138 4.202 4.340 0.000 0.000 0.208 305 L C 2.123 179.032 176.870 0.064 0.000 1.073 305 L CA 2.469 57.345 54.840 0.059 0.000 0.745 305 L CB -0.833 41.262 42.059 0.061 0.000 0.894 305 L HN 0.528 nan 8.230 nan 0.000 0.432 306 E N -1.190 119.050 120.200 0.066 0.000 2.110 306 E HA -0.215 4.135 4.350 0.000 0.000 0.193 306 E C 2.263 178.911 176.600 0.080 0.000 0.988 306 E CA 1.273 57.720 56.400 0.078 0.000 0.804 306 E CB -0.221 29.519 29.700 0.067 0.000 0.745 306 E HN 0.543 nan 8.360 nan 0.000 0.458 307 S N 0.419 116.157 115.700 0.062 0.000 2.382 307 S HA -0.131 4.339 4.470 0.000 0.000 0.228 307 S C 1.950 176.586 174.600 0.060 0.000 1.027 307 S CA 0.749 58.983 58.200 0.057 0.000 0.991 307 S CB -0.155 63.071 63.200 0.043 0.000 0.823 307 S HN 0.169 nan 8.310 nan 0.000 0.469 308 I N 1.216 121.821 120.570 0.058 0.000 2.113 308 I HA -0.186 3.984 4.170 0.000 0.000 0.238 308 I C 2.227 178.374 176.117 0.051 0.000 1.070 308 I CA 1.275 62.607 61.300 0.054 0.000 1.332 308 I CB -0.407 37.631 38.000 0.063 0.000 1.044 308 I HN 0.299 nan 8.210 nan 0.000 0.402 309 L N 0.214 121.472 121.223 0.059 0.000 2.127 309 L HA -0.215 4.125 4.340 0.000 0.000 0.211 309 L C 2.669 179.641 176.870 0.169 0.000 1.089 309 L CA 1.079 55.946 54.840 0.045 0.000 0.757 309 L CB -0.669 41.441 42.059 0.085 0.000 0.899 309 L HN 0.349 nan 8.230 nan 0.000 0.434 310 E N 1.021 121.341 120.200 0.201 0.000 2.047 310 E HA -0.201 4.149 4.350 0.000 0.000 0.191 310 E C 2.290 178.994 176.600 0.174 0.000 0.987 310 E CA 1.317 57.855 56.400 0.230 0.000 0.799 310 E CB 0.057 29.834 29.700 0.128 0.000 0.752 310 E HN 0.436 nan 8.360 nan 0.000 0.449 311 R N -0.475 120.085 120.500 0.099 0.000 2.096 311 R HA -0.083 4.257 4.340 0.000 0.000 0.235 311 R C 2.514 178.845 176.300 0.053 0.000 1.127 311 R CA 1.039 57.178 56.100 0.065 0.000 0.968 311 R CB -0.539 29.784 30.300 0.038 0.000 0.861 311 R HN 0.211 nan 8.270 nan 0.000 0.440 312 G N 0.598 109.410 108.800 0.021 0.000 2.418 312 G HA2 -0.251 3.709 3.960 0.000 0.000 0.217 312 G HA3 -0.251 3.709 3.960 0.000 0.000 0.217 312 G C 1.100 175.967 174.900 -0.056 0.000 1.158 312 G CA 0.554 45.619 45.100 -0.058 0.000 0.771 312 G HN 0.150 nan 8.290 nan 0.000 0.545 313 F N 1.060 121.011 119.950 0.000 0.000 2.146 313 F HA 0.070 4.597 4.527 0.000 0.000 0.298 313 F C 2.777 178.577 175.800 0.001 0.000 1.096 313 F CA 1.461 59.459 58.000 -0.002 0.000 1.275 313 F CB -0.279 38.721 39.000 0.000 0.000 1.008 313 F HN 0.193 nan 8.300 nan 0.000 0.480 314 E N -0.115 120.204 120.200 0.198 0.000 2.077 314 E HA -0.219 4.131 4.350 0.000 0.000 0.193 314 E C 1.438 178.082 176.600 0.073 0.000 0.989 314 E CA 1.474 57.938 56.400 0.108 0.000 0.800 314 E CB -0.227 29.518 29.700 0.075 0.000 0.746 314 E HN 0.326 nan 8.360 nan 0.000 0.452 315 D N -0.909 119.523 120.400 0.055 0.000 2.371 315 D HA -0.006 4.634 4.640 0.000 0.000 0.221 315 D C 1.115 177.429 176.300 0.022 0.000 0.986 315 D CA 0.955 54.971 54.000 0.027 0.000 0.899 315 D CB 0.214 41.019 40.800 0.009 0.000 0.902 315 D HN 0.346 nan 8.370 nan 0.000 0.530 316 G N 1.243 110.067 108.800 0.039 0.000 2.148 316 G HA2 -0.330 3.630 3.960 0.000 0.000 0.254 316 G HA3 -0.330 3.630 3.960 0.000 0.000 0.254 316 G C 1.044 175.942 174.900 -0.004 0.000 0.981 316 G CA 0.658 45.779 45.100 0.035 0.000 0.670 316 G HN 0.529 nan 8.290 nan 0.000 0.528 317 I N -2.849 117.698 120.570 -0.038 0.000 3.035 317 I HA 0.665 4.835 4.170 0.000 0.000 0.271 317 I C 1.156 177.191 176.117 -0.136 0.000 1.190 317 I CA 0.678 61.938 61.300 -0.066 0.000 1.472 317 I CB 0.020 37.988 38.000 -0.053 0.000 1.116 317 I HN 0.359 nan 8.210 nan 0.000 0.443 318 V N 1.792 121.564 119.914 -0.238 0.000 2.370 318 V HA 0.421 4.541 4.120 0.000 0.000 0.279 318 V C 1.010 176.852 176.094 -0.420 0.000 1.029 318 V CA -0.181 61.856 62.300 -0.438 0.000 0.870 318 V CB 1.598 32.968 31.823 -0.755 0.000 0.984 318 V HN 0.067 nan 8.190 nan 0.000 0.451 319 V N 3.364 123.079 119.914 -0.333 0.000 2.685 319 V HA 0.180 4.300 4.120 0.000 0.000 0.244 319 V C 0.555 176.617 176.094 -0.054 0.000 1.054 319 V CA 1.462 63.678 62.300 -0.140 0.000 1.076 319 V CB 0.470 32.229 31.823 -0.106 0.000 0.725 319 V HN 1.043 nan 8.190 nan 0.000 0.467 320 D N -1.373 118.857 120.400 -0.282 0.000 2.717 320 D HA 0.654 5.294 4.640 0.000 0.000 0.223 320 D C -1.161 175.067 176.300 -0.120 0.000 1.240 320 D CA 0.278 54.245 54.000 -0.054 0.000 0.801 320 D CB 2.128 42.918 40.800 -0.016 0.000 1.556 320 D HN 0.280 nan 8.370 nan 0.000 0.462 321 A N 1.164 124.029 122.820 0.076 0.000 2.547 321 A HA 0.834 5.154 4.320 0.000 0.000 0.297 321 A C -1.544 176.126 177.584 0.144 0.000 1.056 321 A CA -0.231 51.839 52.037 0.056 0.000 0.688 321 A CB 1.694 20.694 19.000 0.000 0.000 1.282 321 A HN 0.776 nan 8.150 nan 0.000 0.400 322 A N 2.267 125.183 122.820 0.159 0.000 2.311 322 A HA 0.710 5.030 4.320 0.000 0.000 0.306 322 A C -0.604 177.158 177.584 0.296 0.000 1.189 322 A CA -0.328 51.845 52.037 0.226 0.000 0.791 322 A CB 0.288 19.452 19.000 0.274 0.000 1.172 322 A HN 0.744 nan 8.150 nan 0.000 0.481 323 I N 2.451 123.151 120.570 0.216 0.000 2.365 323 I HA 0.381 4.551 4.170 0.000 0.000 0.291 323 I C 1.026 177.222 176.117 0.132 0.000 1.004 323 I CA -0.324 61.087 61.300 0.185 0.000 1.311 323 I CB 1.707 39.777 38.000 0.116 0.000 1.401 323 I HN 0.741 nan 8.210 nan 0.000 0.491 324 A N 5.438 128.291 122.820 0.055 0.000 2.488 324 A HA 0.145 4.465 4.320 0.000 0.000 0.249 324 A C 0.517 178.058 177.584 -0.072 0.000 1.083 324 A CA -0.136 51.794 52.037 -0.178 0.000 0.768 324 A CB -0.121 18.660 19.000 -0.363 0.000 1.017 324 A HN 0.782 nan 8.150 nan 0.000 0.496 325 N N 0.477 119.134 118.700 -0.073 0.000 2.214 325 N HA 0.142 4.882 4.740 0.000 0.000 0.214 325 N C -0.445 175.044 175.510 -0.034 0.000 1.132 325 N CA 0.773 53.805 53.050 -0.029 0.000 0.856 325 N CB 0.325 38.807 38.487 -0.008 0.000 1.020 325 N HN 0.805 nan 8.380 nan 0.000 0.509 326 S N -2.974 112.691 115.700 -0.059 0.000 2.615 326 S HA 0.279 4.749 4.470 0.000 0.000 0.268 326 S C 0.624 175.194 174.600 -0.050 0.000 1.146 326 S CA -0.741 57.434 58.200 -0.043 0.000 0.818 326 S CB 0.925 64.102 63.200 -0.039 0.000 1.111 326 S HN -0.243 nan 8.310 nan 0.000 0.465 327 V N 1.466 121.366 119.914 -0.023 0.000 2.515 327 V HA -0.088 4.032 4.120 0.000 0.000 0.250 327 V C 3.449 179.534 176.094 -0.015 0.000 1.058 327 V CA 2.736 65.031 62.300 -0.009 0.000 1.064 327 V CB -1.677 30.149 31.823 0.005 0.000 0.675 327 V HN 1.005 nan 8.190 nan 0.000 0.461 328 Q N -0.353 119.432 119.800 -0.025 0.000 2.084 328 Q HA -0.305 4.035 4.340 0.000 0.000 0.202 328 Q C 2.146 178.114 176.000 -0.053 0.000 0.978 328 Q CA 2.222 58.013 55.803 -0.021 0.000 0.844 328 Q CB -0.695 28.032 28.738 -0.018 0.000 0.898 328 Q HN 0.755 nan 8.270 nan 0.000 0.426 329 Q N -0.792 118.935 119.800 -0.122 0.000 2.123 329 Q HA -0.174 4.166 4.340 0.000 0.000 0.199 329 Q C 2.355 178.095 176.000 -0.433 0.000 0.966 329 Q CA 1.331 56.969 55.803 -0.274 0.000 0.845 329 Q CB 0.037 28.573 28.738 -0.337 0.000 0.907 329 Q HN 0.828 nan 8.270 nan 0.000 0.439 330 Q N -0.005 119.640 119.800 -0.258 0.000 2.030 330 Q HA -0.235 4.105 4.340 0.000 0.000 0.204 330 Q C 2.118 178.210 176.000 0.153 0.000 0.986 330 Q CA 1.762 57.514 55.803 -0.084 0.000 0.843 330 Q CB -0.048 28.732 28.738 0.070 0.000 0.904 330 Q HN 0.490 nan 8.270 nan 0.000 0.420 331 Q N -0.261 119.617 119.800 0.130 0.000 2.170 331 Q HA -0.140 4.200 4.340 0.000 0.000 0.203 331 Q C 2.018 178.139 176.000 0.201 0.000 0.976 331 Q CA 1.115 57.033 55.803 0.191 0.000 0.858 331 Q CB -0.132 28.669 28.738 0.105 0.000 0.907 331 Q HN 0.361 nan 8.270 nan 0.000 0.433 332 A N 0.503 123.400 122.820 0.129 0.000 1.898 332 A HA -0.160 4.160 4.320 0.000 0.000 0.216 332 A C 1.690 179.461 177.584 0.312 0.000 1.181 332 A CA 0.994 53.127 52.037 0.161 0.000 0.620 332 A CB -0.569 18.491 19.000 0.100 0.000 0.819 332 A HN 0.254 nan 8.150 nan 0.000 0.442 333 F N -1.470 118.538 119.950 0.096 0.000 2.069 333 F HA -0.167 4.360 4.527 0.000 0.000 0.298 333 F C 2.149 177.990 175.800 0.067 0.000 1.113 333 F CA 0.386 58.458 58.000 0.120 0.000 1.214 333 F CB -1.391 37.636 39.000 0.046 0.000 0.978 333 F HN 0.411 nan 8.300 nan 0.000 0.474 334 W N 0.459 121.950 121.300 0.317 0.000 2.436 334 W HA -0.084 4.576 4.660 0.000 0.000 0.284 334 W C 2.541 179.136 176.519 0.128 0.000 1.225 334 W CA 1.066 58.518 57.345 0.177 0.000 1.271 334 W CB -0.450 29.080 29.460 0.117 0.000 1.114 334 W HN -0.088 nan 8.180 nan 0.000 0.559 335 K N 0.951 121.545 120.400 0.323 0.000 2.063 335 K HA -0.221 4.099 4.320 0.000 0.000 0.208 335 K C 1.993 178.678 176.600 0.141 0.000 1.048 335 K CA 1.490 57.895 56.287 0.196 0.000 0.928 335 K CB -0.531 32.053 32.500 0.139 0.000 0.713 335 K HN 0.219 nan 8.250 nan 0.000 0.442 336 L N 0.802 122.098 121.223 0.123 0.000 2.017 336 L HA -0.218 4.122 4.340 0.000 0.000 0.208 336 L C 2.634 179.523 176.870 0.032 0.000 1.073 336 L CA 1.517 56.379 54.840 0.037 0.000 0.745 336 L CB -0.307 41.729 42.059 -0.038 0.000 0.894 336 L HN 0.153 nan 8.230 nan 0.000 0.432 337 R N 0.518 121.075 120.500 0.096 0.000 2.066 337 R HA -0.186 4.154 4.340 0.000 0.000 0.232 337 R C 2.009 178.363 176.300 0.091 0.000 1.131 337 R CA 2.050 58.192 56.100 0.070 0.000 0.955 337 R CB -0.555 29.794 30.300 0.082 0.000 0.851 337 R HN 0.468 nan 8.270 nan 0.000 0.432 338 E N 0.100 120.413 120.200 0.188 0.000 2.204 338 E HA -0.147 4.203 4.350 0.000 0.000 0.195 338 E C 0.980 177.626 176.600 0.076 0.000 0.990 338 E CA 1.243 57.737 56.400 0.157 0.000 0.821 338 E CB 0.044 29.853 29.700 0.180 0.000 0.750 338 E HN 0.529 nan 8.360 nan 0.000 0.477 339 E N 0.080 120.308 120.200 0.045 0.000 2.444 339 E HA 0.079 4.429 4.350 0.000 0.000 0.191 339 E C 1.423 178.007 176.600 -0.028 0.000 1.041 339 E CA -0.216 56.196 56.400 0.021 0.000 0.883 339 E CB 0.299 30.020 29.700 0.033 0.000 1.024 339 E HN 0.284 nan 8.360 nan 0.000 0.470 340 I N 0.497 120.997 120.570 -0.116 0.000 2.226 340 I HA -0.273 3.897 4.170 0.000 0.000 0.245 340 I C 2.557 178.587 176.117 -0.146 0.000 1.100 340 I CA 0.835 61.986 61.300 -0.248 0.000 1.374 340 I CB -0.188 37.401 38.000 -0.685 0.000 1.057 340 I HN 0.121 nan 8.210 nan 0.000 0.413 341 S N 1.230 116.889 115.700 -0.069 0.000 2.351 341 S HA -0.080 4.390 4.470 0.000 0.000 0.220 341 S C -0.169 174.469 174.600 0.063 0.000 1.035 341 S CA 1.742 59.978 58.200 0.061 0.000 1.031 341 S CB -1.120 62.151 63.200 0.119 0.000 0.928 341 S HN 0.232 nan 8.310 nan 0.000 0.433 342 P HA 0.154 nan 4.420 nan 0.000 0.225 342 P C 1.049 178.355 177.300 0.010 0.000 1.156 342 P CA 1.116 64.235 63.100 0.032 0.000 0.787 342 P CB -0.253 31.465 31.700 0.032 0.000 0.802 343 A N 0.043 122.876 122.820 0.021 0.000 2.172 343 A HA -0.147 4.173 4.320 0.000 0.000 0.216 343 A C 2.259 179.811 177.584 -0.054 0.000 1.154 343 A CA 1.007 53.057 52.037 0.021 0.000 0.701 343 A CB -0.968 18.089 19.000 0.095 0.000 0.789 343 A HN 0.202 nan 8.150 nan 0.000 0.465 344 Q N -0.267 119.546 119.800 0.022 0.000 2.137 344 Q HA -0.099 4.241 4.340 0.000 0.000 0.198 344 Q C 1.830 177.752 176.000 -0.130 0.000 0.960 344 Q CA 1.254 57.071 55.803 0.024 0.000 0.847 344 Q CB -0.125 28.702 28.738 0.148 0.000 0.915 344 Q HN 0.629 nan 8.270 nan 0.000 0.448 345 K N 0.537 120.881 120.400 -0.092 0.000 2.034 345 K HA -0.180 4.140 4.320 0.000 0.000 0.214 345 K C -0.853 175.639 176.600 -0.180 0.000 1.051 345 K CA 1.581 57.811 56.287 -0.095 0.000 0.931 345 K CB -0.979 31.491 32.500 -0.050 0.000 0.715 345 K HN 0.272 nan 8.250 nan 0.000 0.446 346 P HA -0.044 nan 4.420 nan 0.000 0.245 346 P C 0.088 177.102 177.300 -0.477 0.000 1.212 346 P CA 0.956 63.847 63.100 -0.349 0.000 0.774 346 P CB 0.308 31.778 31.700 -0.384 0.000 0.999 347 E N 0.362 120.247 120.200 -0.526 0.000 2.501 347 E HA 0.386 4.736 4.350 0.000 0.000 0.200 347 E C 0.739 177.150 176.600 -0.316 0.000 1.016 347 E CA 0.040 56.111 56.400 -0.548 0.000 0.921 347 E CB -0.087 29.030 29.700 -0.973 0.000 1.034 347 E HN 0.228 nan 8.360 nan 0.000 0.468 348 G N -1.201 107.464 108.800 -0.224 0.000 2.566 348 G HA2 -0.020 3.941 3.960 0.000 0.000 0.599 348 G HA3 -0.020 3.941 3.960 0.000 0.000 0.599 348 G C 0.328 175.170 174.900 -0.097 0.000 1.292 348 G CA -0.658 44.348 45.100 -0.157 0.000 0.922 348 G HN 0.440 nan 8.290 nan 0.000 0.514 349 G N -0.772 107.995 108.800 -0.055 0.000 2.559 349 G HA2 0.549 4.509 3.960 0.000 0.000 0.235 349 G HA3 0.549 4.509 3.960 0.000 0.000 0.235 349 G C 0.353 175.333 174.900 0.132 0.000 1.266 349 G CA 1.397 46.557 45.100 0.099 0.000 0.847 349 G HN 1.782 nan 8.290 nan 0.000 0.583 350 S N 0.591 116.429 115.700 0.229 0.000 2.677 350 S HA 0.480 4.950 4.470 0.000 0.000 0.283 350 S C -0.387 174.219 174.600 0.010 0.000 1.159 350 S CA -0.762 57.546 58.200 0.179 0.000 1.001 350 S CB 0.666 63.933 63.200 0.112 0.000 1.032 350 S HN 0.460 nan 8.310 nan 0.000 0.487 351 I N 5.100 125.563 120.570 -0.178 0.000 2.297 351 I HA 0.340 4.510 4.170 0.000 0.000 0.291 351 I C -0.000 175.649 176.117 -0.779 0.000 1.033 351 I CA -0.390 60.329 61.300 -0.968 0.000 1.253 351 I CB 0.979 38.445 38.000 -0.890 0.000 1.396 351 I HN 0.409 nan 8.210 nan 0.000 0.476 352 K N 5.817 125.666 120.400 -0.918 0.000 2.185 352 K HA 0.616 4.936 4.320 0.000 0.000 0.269 352 K C -1.119 175.215 176.600 -0.443 0.000 0.987 352 K CA -0.766 55.317 56.287 -0.341 0.000 0.865 352 K CB 1.470 33.986 32.500 0.026 0.000 1.090 352 K HN 0.510 nan 8.250 nan 0.000 0.450 353 H N 0.234 119.342 119.070 0.063 0.000 2.856 353 H HA 0.153 4.709 4.556 0.000 0.000 0.355 353 H C -1.563 173.813 175.328 0.079 0.000 1.079 353 H CA -0.841 55.290 56.048 0.138 0.000 1.240 353 H CB 1.829 31.672 29.762 0.135 0.000 1.701 353 H HN 0.504 nan 8.280 nan 0.000 0.527 354 D N 3.401 123.889 120.400 0.145 0.000 2.461 354 D HA 0.331 4.971 4.640 0.000 0.000 0.240 354 D C -0.861 175.378 176.300 -0.101 0.000 1.094 354 D CA -0.557 53.346 54.000 -0.161 0.000 0.868 354 D CB 0.337 40.877 40.800 -0.434 0.000 1.062 354 D HN 0.419 nan 8.370 nan 0.000 0.530 355 I N 0.217 120.711 120.570 -0.125 0.000 3.206 355 I HA 0.838 5.008 4.170 0.000 0.000 0.313 355 I C -0.710 175.253 176.117 -0.257 0.000 1.103 355 I CA -1.000 60.207 61.300 -0.156 0.000 0.985 355 I CB 1.908 39.818 38.000 -0.150 0.000 1.240 355 I HN 0.232 nan 8.210 nan 0.000 0.464 356 S N 1.090 116.633 115.700 -0.261 0.000 2.556 356 S HA 0.958 5.428 4.470 0.000 0.000 0.271 356 S C -0.734 173.714 174.600 -0.254 0.000 1.135 356 S CA -0.178 57.876 58.200 -0.243 0.000 0.858 356 S CB 1.393 64.503 63.200 -0.150 0.000 1.114 356 S HN 1.894 nan 8.310 nan 0.000 0.468 357 V N -2.974 116.808 119.914 -0.220 0.000 3.188 357 V HA 0.789 4.909 4.120 0.000 0.000 0.305 357 V C -3.246 172.785 176.094 -0.105 0.000 1.232 357 V CA -2.726 59.475 62.300 -0.165 0.000 1.043 357 V CB 0.630 32.343 31.823 -0.183 0.000 1.068 357 V HN 0.730 nan 8.190 nan 0.000 0.439 358 P HA 0.151 nan 4.420 nan 0.000 0.266 358 P C 1.121 178.386 177.300 -0.059 0.000 1.193 358 P CA 0.171 63.235 63.100 -0.060 0.000 0.770 358 P CB 0.658 32.329 31.700 -0.048 0.000 0.836 359 V N 2.794 122.674 119.914 -0.057 0.000 2.324 359 V HA -0.324 3.796 4.120 0.000 0.000 0.250 359 V C 2.317 178.376 176.094 -0.058 0.000 1.060 359 V CA 2.694 64.958 62.300 -0.059 0.000 1.042 359 V CB -1.586 30.197 31.823 -0.068 0.000 0.650 359 V HN 0.708 nan 8.190 nan 0.000 0.450 360 A N -0.378 122.409 122.820 -0.056 0.000 2.070 360 A HA 0.014 4.334 4.320 0.000 0.000 0.220 360 A C 2.170 179.729 177.584 -0.041 0.000 1.159 360 A CA 1.740 53.746 52.037 -0.052 0.000 0.656 360 A CB -0.457 18.514 19.000 -0.047 0.000 0.800 360 A HN 0.623 nan 8.150 nan 0.000 0.453 361 A N -0.891 121.910 122.820 -0.033 0.000 2.275 361 A HA 0.386 4.706 4.320 0.000 0.000 0.212 361 A C 1.794 179.386 177.584 0.014 0.000 1.201 361 A CA 0.655 52.685 52.037 -0.012 0.000 0.843 361 A CB -0.362 18.633 19.000 -0.009 0.000 0.873 361 A HN 0.236 nan 8.150 nan 0.000 0.492 362 V N 0.973 120.884 119.914 -0.005 0.000 2.332 362 V HA -0.168 3.952 4.120 0.000 0.000 0.248 362 V C -0.250 175.867 176.094 0.038 0.000 1.055 362 V CA 2.618 64.934 62.300 0.028 0.000 1.038 362 V CB -1.188 30.633 31.823 -0.004 0.000 0.651 362 V HN 0.393 nan 8.190 nan 0.000 0.450 363 P HA -0.126 nan 4.420 nan 0.000 0.217 363 P C 1.729 178.998 177.300 -0.052 0.000 1.151 363 P CA 1.212 64.258 63.100 -0.089 0.000 0.828 363 P CB -0.027 31.604 31.700 -0.114 0.000 0.788 364 Q N -1.656 118.134 119.800 -0.017 0.000 2.079 364 Q HA -0.159 4.182 4.340 0.000 0.000 0.200 364 Q C 2.032 178.024 176.000 -0.013 0.000 0.974 364 Q CA 1.163 56.956 55.803 -0.017 0.000 0.840 364 Q CB -0.781 27.955 28.738 -0.004 0.000 0.898 364 Q HN 0.219 nan 8.270 nan 0.000 0.430 365 F N 1.449 121.345 119.950 -0.089 0.000 2.095 365 F HA -0.216 4.311 4.527 0.000 0.000 0.298 365 F C 1.852 177.570 175.800 -0.137 0.000 1.104 365 F CA 1.353 59.283 58.000 -0.117 0.000 1.232 365 F CB -0.145 38.785 39.000 -0.117 0.000 0.987 365 F HN -0.054 nan 8.300 nan 0.000 0.475 366 I N 0.219 120.690 120.570 -0.165 0.000 2.179 366 I HA -0.250 3.920 4.170 0.000 0.000 0.242 366 I C 2.605 178.624 176.117 -0.165 0.000 1.088 366 I CA 1.636 62.838 61.300 -0.163 0.000 1.357 366 I CB -0.656 37.391 38.000 0.078 0.000 1.051 366 I HN 0.237 nan 8.210 nan 0.000 0.409 367 E N 1.077 121.207 120.200 -0.116 0.000 2.051 367 E HA -0.255 4.095 4.350 0.000 0.000 0.192 367 E C 2.098 178.623 176.600 -0.124 0.000 0.991 367 E CA 1.678 58.035 56.400 -0.072 0.000 0.799 367 E CB -0.042 29.625 29.700 -0.055 0.000 0.748 367 E HN 0.568 nan 8.360 nan 0.000 0.449 368 Q N -0.198 119.483 119.800 -0.198 0.000 2.083 368 Q HA -0.040 4.300 4.340 0.000 0.000 0.198 368 Q C 2.206 178.029 176.000 -0.296 0.000 0.969 368 Q CA 1.304 56.983 55.803 -0.206 0.000 0.838 368 Q CB -0.135 28.496 28.738 -0.178 0.000 0.900 368 Q HN 0.300 nan 8.270 nan 0.000 0.436 369 A N 1.566 124.046 122.820 -0.567 0.000 1.877 369 A HA -0.229 4.091 4.320 0.000 0.000 0.216 369 A C 1.782 179.210 177.584 -0.260 0.000 1.186 369 A CA 1.607 53.243 52.037 -0.669 0.000 0.620 369 A CB -0.596 17.441 19.000 -1.605 0.000 0.822 369 A HN 0.274 nan 8.150 nan 0.000 0.443 370 N N 0.629 119.259 118.700 -0.116 0.000 2.036 370 N HA -0.181 4.559 4.740 0.000 0.000 0.195 370 N C 1.897 177.416 175.510 0.016 0.000 1.037 370 N CA 1.943 55.034 53.050 0.070 0.000 0.855 370 N CB -0.717 37.829 38.487 0.099 0.000 1.033 370 N HN 0.476 nan 8.380 nan 0.000 0.423 371 A N 0.717 123.519 122.820 -0.029 0.000 1.877 371 A HA 0.004 4.324 4.320 0.000 0.000 0.216 371 A C 2.366 179.932 177.584 -0.030 0.000 1.186 371 A CA 2.210 54.233 52.037 -0.023 0.000 0.620 371 A CB -1.041 17.938 19.000 -0.034 0.000 0.822 371 A HN 0.348 nan 8.150 nan 0.000 0.443 372 A N -0.597 122.185 122.820 -0.063 0.000 1.877 372 A HA -0.024 4.296 4.320 0.000 0.000 0.216 372 A C 2.246 179.808 177.584 -0.037 0.000 1.186 372 A CA 1.912 53.911 52.037 -0.062 0.000 0.620 372 A CB -1.026 17.913 19.000 -0.101 0.000 0.822 372 A HN 0.429 nan 8.150 nan 0.000 0.443 373 V N -0.353 119.551 119.914 -0.018 0.000 2.343 373 V HA -0.221 3.899 4.120 0.000 0.000 0.247 373 V C 2.552 178.668 176.094 0.038 0.000 1.051 373 V CA 1.943 64.258 62.300 0.024 0.000 1.036 373 V CB -0.778 31.103 31.823 0.097 0.000 0.654 373 V HN 0.367 nan 8.190 nan 0.000 0.451 374 V N 0.370 120.307 119.914 0.038 0.000 2.407 374 V HA -0.235 3.885 4.120 0.000 0.000 0.248 374 V C 2.680 178.788 176.094 0.025 0.000 1.055 374 V CA 1.868 64.191 62.300 0.038 0.000 1.049 374 V CB -1.077 30.765 31.823 0.032 0.000 0.662 374 V HN 0.561 nan 8.190 nan 0.000 0.455 375 A N -0.359 122.467 122.820 0.010 0.000 1.933 375 A HA -0.167 4.153 4.320 0.000 0.000 0.218 375 A C 2.140 179.728 177.584 0.006 0.000 1.175 375 A CA 1.949 53.988 52.037 0.004 0.000 0.628 375 A CB -0.431 18.564 19.000 -0.007 0.000 0.814 375 A HN 0.455 nan 8.150 nan 0.000 0.444 376 L N -0.684 120.541 121.223 0.004 0.000 2.023 376 L HA 0.223 4.563 4.340 0.000 0.000 0.205 376 L C 0.496 177.379 176.870 0.022 0.000 1.073 376 L CA 1.579 56.420 54.840 0.002 0.000 0.745 376 L CB -0.009 42.040 42.059 -0.017 0.000 0.900 376 L HN 0.332 nan 8.230 nan 0.000 0.435 377 I N 0.631 121.228 120.570 0.045 0.000 2.495 377 I HA 0.293 4.463 4.170 0.000 0.000 0.277 377 I C -2.323 173.842 176.117 0.079 0.000 1.045 377 I CA -1.897 59.452 61.300 0.081 0.000 1.135 377 I CB 1.161 39.250 38.000 0.147 0.000 1.241 377 I HN -0.016 nan 8.210 nan 0.000 0.469 378 P HA 0.089 nan 4.420 nan 0.000 0.266 378 P C 1.042 178.369 177.300 0.044 0.000 1.195 378 P CA 0.764 63.890 63.100 0.043 0.000 0.768 378 P CB 0.754 32.473 31.700 0.031 0.000 0.838 379 G N 1.248 110.067 108.800 0.032 0.000 2.212 379 G HA2 -0.243 3.717 3.960 0.000 0.000 0.266 379 G HA3 -0.243 3.717 3.960 0.000 0.000 0.266 379 G C 0.550 175.459 174.900 0.016 0.000 0.978 379 G CA 0.118 45.229 45.100 0.018 0.000 0.632 379 G HN 0.858 nan 8.290 nan 0.000 0.537 380 A N -0.158 122.691 122.820 0.049 0.000 2.492 380 A HA 0.610 4.930 4.320 0.000 0.000 0.236 380 A C 0.776 178.377 177.584 0.029 0.000 1.078 380 A CA 0.739 52.814 52.037 0.064 0.000 0.773 380 A CB 0.193 19.294 19.000 0.168 0.000 1.023 380 A HN 0.607 nan 8.150 nan 0.000 0.504 381 R N 1.568 122.073 120.500 0.008 0.000 2.358 381 R HA 0.342 4.682 4.340 0.000 0.000 0.309 381 R C -2.942 173.337 176.300 -0.035 0.000 1.026 381 R CA -1.663 54.433 56.100 -0.007 0.000 0.909 381 R CB 1.470 31.778 30.300 0.014 0.000 1.153 381 R HN 0.441 nan 8.270 nan 0.000 0.515 382 P HA 0.018 nan 4.420 nan 0.000 0.271 382 P C -0.455 176.736 177.300 -0.183 0.000 1.216 382 P CA -0.170 62.842 63.100 -0.147 0.000 0.771 382 P CB 0.914 32.587 31.700 -0.045 0.000 0.864 383 V N 5.649 125.430 119.914 -0.220 0.000 2.260 383 V HA 0.279 4.399 4.120 0.000 0.000 0.263 383 V C -2.191 173.910 176.094 0.012 0.000 1.036 383 V CA -1.575 60.645 62.300 -0.134 0.000 0.874 383 V CB 0.981 32.757 31.823 -0.078 0.000 1.116 383 V HN 0.532 nan 8.190 nan 0.000 0.454 384 P HA 0.724 nan 4.420 nan 0.000 0.298 384 P C -1.093 176.454 177.300 0.412 0.000 1.314 384 P CA -0.446 62.778 63.100 0.207 0.000 0.854 384 P CB 1.673 33.606 31.700 0.388 0.000 1.019 385 F N -0.535 119.527 119.950 0.186 0.000 2.719 385 F HA 0.876 5.403 4.527 0.000 0.000 0.309 385 F C -0.468 175.415 175.800 0.139 0.000 1.138 385 F CA -0.782 57.313 58.000 0.159 0.000 0.943 385 F CB 1.099 40.133 39.000 0.057 0.000 1.304 385 F HN 0.727 nan 8.300 nan 0.000 0.445 386 G N 0.022 108.925 108.800 0.170 0.000 2.325 386 G HA2 0.338 4.298 3.960 0.000 0.000 0.295 386 G HA3 0.338 4.298 3.960 0.000 0.000 0.295 386 G C -2.320 172.628 174.900 0.080 0.000 1.274 386 G CA -1.068 43.995 45.100 -0.062 0.000 0.857 386 G HN 0.974 nan 8.290 nan 0.000 0.499 387 H N 1.505 120.682 119.070 0.178 0.000 2.914 387 H HA 0.297 4.853 4.556 0.000 0.000 0.264 387 H C 1.464 176.868 175.328 0.127 0.000 1.433 387 H CA -0.648 55.496 56.048 0.161 0.000 1.342 387 H CB 1.020 30.862 29.762 0.133 0.000 1.582 387 H HN 0.316 nan 8.280 nan 0.000 0.525 388 L N 2.851 124.230 121.223 0.259 0.000 2.079 388 L HA -0.064 4.276 4.340 0.000 0.000 0.210 388 L C 2.272 179.185 176.870 0.071 0.000 1.081 388 L CA 1.944 56.884 54.840 0.166 0.000 0.752 388 L CB -0.774 41.436 42.059 0.252 0.000 0.896 388 L HN 0.696 nan 8.230 nan 0.000 0.433 389 G N -0.998 107.855 108.800 0.088 0.000 2.498 389 G HA2 -0.239 3.721 3.960 0.000 0.000 0.219 389 G HA3 -0.239 3.721 3.960 0.000 0.000 0.219 389 G C 0.766 175.663 174.900 -0.004 0.000 1.119 389 G CA 0.915 46.005 45.100 -0.017 0.000 0.766 389 G HN 0.658 nan 8.290 nan 0.000 0.552 390 D N -2.889 117.539 120.400 0.047 0.000 2.513 390 D HA 0.268 4.908 4.640 0.000 0.000 0.222 390 D C 1.512 177.819 176.300 0.012 0.000 1.210 390 D CA 0.276 54.292 54.000 0.027 0.000 0.825 390 D CB -0.408 40.421 40.800 0.048 0.000 1.037 390 D HN 0.279 nan 8.370 nan 0.000 0.506 391 G N 1.014 109.817 108.800 0.005 0.000 2.168 391 G HA2 -0.363 3.597 3.960 0.000 0.000 0.263 391 G HA3 -0.363 3.597 3.960 0.000 0.000 0.263 391 G C -0.024 174.834 174.900 -0.069 0.000 0.977 391 G CA 0.290 45.367 45.100 -0.038 0.000 0.659 391 G HN 0.660 nan 8.290 nan 0.000 0.533 392 N N 0.327 119.012 118.700 -0.025 0.000 2.414 392 N HA 0.468 5.208 4.740 0.000 0.000 0.256 392 N C -0.377 175.043 175.510 -0.150 0.000 1.029 392 N CA -0.681 52.316 53.050 -0.089 0.000 0.948 392 N CB 0.212 38.695 38.487 -0.006 0.000 1.102 392 N HN 0.038 nan 8.380 nan 0.000 0.496 393 I N 3.599 124.060 120.570 -0.182 0.000 2.433 393 I HA 0.171 4.341 4.170 0.000 0.000 0.292 393 I C 0.180 176.203 176.117 -0.156 0.000 1.001 393 I CA -0.669 60.560 61.300 -0.118 0.000 1.119 393 I CB 1.425 39.432 38.000 0.011 0.000 1.289 393 I HN 0.507 nan 8.210 nan 0.000 0.438 394 H N 6.350 125.189 119.070 -0.386 0.000 3.089 394 H HA 0.046 4.602 4.556 0.000 0.000 0.262 394 H C -1.066 174.115 175.328 -0.246 0.000 1.160 394 H CA 0.122 55.901 56.048 -0.449 0.000 1.482 394 H CB 0.421 29.528 29.762 -1.091 0.000 1.511 394 H HN 0.398 nan 8.280 nan 0.000 0.483 395 Y N 5.209 125.512 120.300 0.006 0.000 2.700 395 Y HA 0.131 4.681 4.550 0.000 0.000 0.333 395 Y C -0.663 175.313 175.900 0.126 0.000 1.036 395 Y CA -0.911 57.272 58.100 0.138 0.000 1.287 395 Y CB -0.164 38.494 38.460 0.330 0.000 1.132 395 Y HN 0.515 nan 8.280 nan 0.000 0.510 396 N N 3.036 121.577 118.700 -0.265 0.000 2.443 396 N HA 0.630 5.370 4.740 0.000 0.000 0.293 396 N C -1.488 173.853 175.510 -0.282 0.000 1.159 396 N CA -0.650 52.302 53.050 -0.164 0.000 0.904 396 N CB 2.225 40.727 38.487 0.024 0.000 1.214 396 N HN 0.208 nan 8.380 nan 0.000 0.513 397 V N 0.404 120.247 119.914 -0.119 0.000 2.525 397 V HA 0.396 4.516 4.120 0.000 0.000 0.299 397 V C -0.172 176.004 176.094 0.136 0.000 1.034 397 V CA -0.751 61.542 62.300 -0.012 0.000 0.863 397 V CB 1.575 33.446 31.823 0.079 0.000 0.999 397 V HN 0.583 nan 8.190 nan 0.000 0.423 398 S N 3.327 119.061 115.700 0.056 0.000 2.616 398 S HA 0.432 4.902 4.470 0.000 0.000 0.277 398 S C -0.021 174.334 174.600 -0.408 0.000 1.234 398 S CA -0.684 57.487 58.200 -0.047 0.000 1.028 398 S CB 1.251 64.504 63.200 0.088 0.000 0.988 398 S HN 0.892 nan 8.310 nan 0.000 0.522 399 Q N 1.224 120.456 119.800 -0.946 0.000 2.474 399 Q HA 0.271 4.611 4.340 0.000 0.000 0.256 399 Q C -2.689 172.963 176.000 -0.580 0.000 1.048 399 Q CA -1.325 53.584 55.803 -1.490 0.000 0.922 399 Q CB -0.726 27.291 28.738 -1.201 0.000 1.288 399 Q HN 0.194 nan 8.270 nan 0.000 0.484 400 P HA -0.038 nan 4.420 nan 0.000 0.268 400 P C -0.763 176.451 177.300 -0.143 0.000 1.205 400 P CA -0.265 62.739 63.100 -0.160 0.000 0.771 400 P CB 0.458 32.117 31.700 -0.069 0.000 0.858 401 V N 3.371 123.230 119.914 -0.091 0.000 2.539 401 V HA 0.164 4.284 4.120 0.000 0.000 0.300 401 V C 1.765 177.820 176.094 -0.065 0.000 1.019 401 V CA 2.074 64.328 62.300 -0.077 0.000 1.160 401 V CB -0.719 31.077 31.823 -0.046 0.000 0.901 401 V HN 1.060 nan 8.190 nan 0.000 0.481 402 G N 3.549 112.306 108.800 -0.071 0.000 2.241 402 G HA2 -0.144 3.816 3.960 0.000 0.000 0.244 402 G HA3 -0.144 3.816 3.960 0.000 0.000 0.244 402 G C 0.527 175.401 174.900 -0.043 0.000 0.998 402 G CA 0.211 45.281 45.100 -0.050 0.000 0.621 402 G HN 1.504 nan 8.290 nan 0.000 0.519 403 A N 0.175 122.962 122.820 -0.054 0.000 2.366 403 A HA 0.496 4.816 4.320 0.000 0.000 0.250 403 A C 0.409 177.985 177.584 -0.014 0.000 1.099 403 A CA 0.810 52.831 52.037 -0.027 0.000 0.794 403 A CB 0.128 19.113 19.000 -0.024 0.000 1.056 403 A HN 0.635 nan 8.150 nan 0.000 0.499 404 D N -0.240 120.176 120.400 0.026 0.000 2.371 404 D HA 0.083 4.723 4.640 0.000 0.000 0.256 404 D C 1.090 177.436 176.300 0.076 0.000 1.193 404 D CA 0.165 54.190 54.000 0.042 0.000 0.881 404 D CB 0.866 41.697 40.800 0.052 0.000 1.143 404 D HN 0.533 nan 8.370 nan 0.000 0.473 405 K N 3.312 123.746 120.400 0.057 0.000 2.009 405 K HA -0.207 4.113 4.320 0.000 0.000 0.210 405 K C 1.700 178.397 176.600 0.161 0.000 1.049 405 K CA 1.438 57.782 56.287 0.095 0.000 0.929 405 K CB -0.125 32.407 32.500 0.052 0.000 0.714 405 K HN 0.472 nan 8.250 nan 0.000 0.440 406 A N 1.070 123.956 122.820 0.110 0.000 1.933 406 A HA -0.213 4.107 4.320 0.000 0.000 0.218 406 A C 2.013 179.665 177.584 0.114 0.000 1.175 406 A CA 1.808 53.907 52.037 0.103 0.000 0.628 406 A CB -0.544 18.495 19.000 0.065 0.000 0.814 406 A HN 0.612 nan 8.150 nan 0.000 0.444 407 E N -1.391 118.881 120.200 0.120 0.000 2.072 407 E HA -0.183 4.167 4.350 0.000 0.000 0.191 407 E C 1.747 178.438 176.600 0.152 0.000 0.985 407 E CA 1.246 57.715 56.400 0.114 0.000 0.801 407 E CB -0.232 29.530 29.700 0.103 0.000 0.750 407 E HN 0.622 nan 8.360 nan 0.000 0.452 408 F N 1.112 121.089 119.950 0.045 0.000 2.113 408 F HA -0.101 4.426 4.527 0.000 0.000 0.297 408 F C 1.876 177.724 175.800 0.080 0.000 1.103 408 F CA 1.196 59.225 58.000 0.048 0.000 1.248 408 F CB -0.122 38.896 39.000 0.030 0.000 0.999 408 F HN -0.018 nan 8.300 nan 0.000 0.475 409 L N -0.003 121.326 121.223 0.177 0.000 2.353 409 L HA -0.159 4.181 4.340 0.000 0.000 0.220 409 L C 2.580 179.525 176.870 0.124 0.000 1.133 409 L CA 0.791 55.727 54.840 0.159 0.000 0.798 409 L CB -0.995 41.219 42.059 0.258 0.000 0.922 409 L HN 0.279 nan 8.230 nan 0.000 0.445 410 A N -0.362 122.499 122.820 0.068 0.000 2.066 410 A HA -0.094 4.226 4.320 0.000 0.000 0.218 410 A C 2.000 179.615 177.584 0.052 0.000 1.157 410 A CA 0.829 52.903 52.037 0.062 0.000 0.670 410 A CB -0.197 18.833 19.000 0.050 0.000 0.804 410 A HN 0.233 nan 8.150 nan 0.000 0.453 411 R N -0.909 119.568 120.500 -0.038 0.000 2.319 411 R HA -0.037 4.303 4.340 0.000 0.000 0.204 411 R C 1.380 177.661 176.300 -0.031 0.000 0.954 411 R CA -0.310 55.747 56.100 -0.071 0.000 1.066 411 R CB -0.744 29.435 30.300 -0.201 0.000 0.991 411 R HN 0.827 nan 8.270 nan 0.000 0.486 412 W N 1.687 122.905 121.300 -0.136 0.000 2.317 412 W HA -0.284 4.376 4.660 0.000 0.000 0.318 412 W C 1.934 178.459 176.519 0.010 0.000 1.227 412 W CA 1.818 59.117 57.345 -0.076 0.000 1.269 412 W CB -0.620 28.811 29.460 -0.048 0.000 1.155 412 W HN 0.333 nan 8.180 nan 0.000 0.484 413 H N 0.190 119.430 119.070 0.284 0.000 2.353 413 H HA -0.153 4.403 4.556 0.000 0.000 0.300 413 H C 1.695 177.062 175.328 0.066 0.000 1.090 413 H CA 2.056 58.213 56.048 0.181 0.000 1.327 413 H CB -0.288 29.545 29.762 0.119 0.000 1.383 413 H HN 0.033 nan 8.280 nan 0.000 0.508 414 D N 0.241 120.625 120.400 -0.026 0.000 2.144 414 D HA -0.120 4.520 4.640 0.000 0.000 0.199 414 D C 2.425 178.623 176.300 -0.170 0.000 0.984 414 D CA 0.878 54.808 54.000 -0.116 0.000 0.834 414 D CB -0.115 40.664 40.800 -0.035 0.000 0.955 414 D HN 0.252 nan 8.370 nan 0.000 0.465 415 V N 0.854 120.678 119.914 -0.151 0.000 2.427 415 V HA -0.183 3.937 4.120 0.000 0.000 0.248 415 V C 2.509 178.415 176.094 -0.313 0.000 1.051 415 V CA 1.375 63.566 62.300 -0.181 0.000 1.048 415 V CB -0.418 31.303 31.823 -0.169 0.000 0.666 415 V HN 0.122 nan 8.190 nan 0.000 0.456 416 S N -0.492 115.001 115.700 -0.346 0.000 2.359 416 S HA -0.293 4.177 4.470 0.000 0.000 0.224 416 S C 2.001 176.142 174.600 -0.764 0.000 1.035 416 S CA 1.698 59.441 58.200 -0.761 0.000 1.018 416 S CB -0.339 62.647 63.200 -0.357 0.000 0.876 416 S HN 0.649 nan 8.310 nan 0.000 0.448 417 Q N 0.234 119.760 119.800 -0.456 0.000 2.061 417 Q HA -0.120 4.220 4.340 0.000 0.000 0.204 417 Q C 2.327 178.213 176.000 -0.189 0.000 0.984 417 Q CA 1.554 57.200 55.803 -0.261 0.000 0.846 417 Q CB -0.400 28.193 28.738 -0.242 0.000 0.902 417 Q HN 0.363 nan 8.270 nan 0.000 0.421 418 V N -0.003 119.780 119.914 -0.218 0.000 2.307 418 V HA -0.224 3.896 4.120 0.000 0.000 0.245 418 V C 2.231 178.217 176.094 -0.179 0.000 1.045 418 V CA 1.446 63.648 62.300 -0.162 0.000 1.024 418 V CB -0.403 31.333 31.823 -0.144 0.000 0.651 418 V HN 0.192 nan 8.190 nan 0.000 0.449 419 V N -0.523 119.212 119.914 -0.299 0.000 2.343 419 V HA -0.229 3.891 4.120 0.000 0.000 0.247 419 V C 2.258 178.331 176.094 -0.035 0.000 1.051 419 V CA 1.994 64.138 62.300 -0.260 0.000 1.036 419 V CB -0.783 30.776 31.823 -0.440 0.000 0.654 419 V HN 0.441 nan 8.190 nan 0.000 0.451 420 F N 0.552 120.432 119.950 -0.116 0.000 2.293 420 F HA -0.067 4.460 4.527 0.000 0.000 0.300 420 F C 2.398 178.173 175.800 -0.042 0.000 1.086 420 F CA 1.320 59.280 58.000 -0.067 0.000 1.375 420 F CB -0.894 38.070 39.000 -0.060 0.000 1.045 420 F HN 0.246 nan 8.300 nan 0.000 0.516 421 E N 0.685 120.960 120.200 0.124 0.000 2.106 421 E HA -0.117 4.233 4.350 0.000 0.000 0.192 421 E C 2.151 178.780 176.600 0.049 0.000 0.984 421 E CA 1.117 57.553 56.400 0.061 0.000 0.806 421 E CB -0.387 29.321 29.700 0.012 0.000 0.750 421 E HN 0.150 nan 8.360 nan 0.000 0.458 422 V N -0.269 119.672 119.914 0.044 0.000 2.358 422 V HA -0.193 3.927 4.120 0.000 0.000 0.246 422 V C 2.398 178.580 176.094 0.147 0.000 1.047 422 V CA 1.431 63.762 62.300 0.053 0.000 1.035 422 V CB -0.372 31.428 31.823 -0.038 0.000 0.658 422 V HN 0.165 nan 8.190 nan 0.000 0.452 423 V N -0.082 119.949 119.914 0.196 0.000 2.295 423 V HA -0.242 3.878 4.120 0.000 0.000 0.246 423 V C 2.405 178.521 176.094 0.038 0.000 1.049 423 V CA 2.141 64.508 62.300 0.111 0.000 1.024 423 V CB -0.588 31.282 31.823 0.079 0.000 0.648 423 V HN 0.527 nan 8.190 nan 0.000 0.447 424 L N 1.474 122.722 121.223 0.042 0.000 2.042 424 L HA -0.197 4.143 4.340 0.000 0.000 0.210 424 L C 2.695 179.568 176.870 0.005 0.000 1.076 424 L CA 2.344 57.188 54.840 0.006 0.000 0.749 424 L CB -0.772 41.295 42.059 0.013 0.000 0.893 424 L HN 0.471 nan 8.230 nan 0.000 0.432 425 R N -0.592 119.919 120.500 0.018 0.000 2.237 425 R HA -0.070 4.270 4.340 0.000 0.000 0.219 425 R C 1.436 177.739 176.300 0.006 0.000 1.080 425 R CA 1.443 57.548 56.100 0.008 0.000 0.995 425 R CB -0.624 29.680 30.300 0.007 0.000 0.875 425 R HN 0.469 nan 8.270 nan 0.000 0.462 426 L N 0.523 121.754 121.223 0.014 0.000 2.667 426 L HA 0.355 4.695 4.340 0.000 0.000 0.232 426 L C 0.659 177.519 176.870 -0.018 0.000 1.138 426 L CA 0.277 55.121 54.840 0.006 0.000 0.921 426 L CB 0.615 42.694 42.059 0.033 0.000 1.180 426 L HN 0.577 nan 8.230 nan 0.000 0.487 427 G N 0.452 109.238 108.800 -0.024 0.000 2.160 427 G HA2 -0.220 3.740 3.960 0.000 0.000 0.244 427 G HA3 -0.220 3.740 3.960 0.000 0.000 0.244 427 G C 0.479 175.346 174.900 -0.056 0.000 1.022 427 G CA 0.016 45.094 45.100 -0.038 0.000 0.741 427 G HN 0.502 nan 8.290 nan 0.000 0.508 428 G N -0.905 107.855 108.800 -0.066 0.000 2.532 428 G HA2 0.688 4.648 3.960 0.000 0.000 0.291 428 G HA3 0.688 4.648 3.960 0.000 0.000 0.291 428 G C 0.132 174.967 174.900 -0.108 0.000 1.349 428 G CA 0.580 45.620 45.100 -0.101 0.000 1.038 428 G HN 1.280 nan 8.290 nan 0.000 0.518 429 S N -1.458 114.163 115.700 -0.131 0.000 2.503 429 S HA 0.316 4.786 4.470 0.000 0.000 0.301 429 S C 1.384 175.884 174.600 -0.167 0.000 1.087 429 S CA -0.601 57.515 58.200 -0.140 0.000 1.042 429 S CB 1.172 64.302 63.200 -0.117 0.000 1.043 429 S HN 0.718 nan 8.310 nan 0.000 0.489 430 I N 1.901 122.318 120.570 -0.254 0.000 2.676 430 I HA 0.263 4.433 4.170 0.000 0.000 0.259 430 I C 0.723 176.753 176.117 -0.146 0.000 1.194 430 I CA 0.389 61.443 61.300 -0.410 0.000 1.473 430 I CB 0.042 37.482 38.000 -0.933 0.000 1.096 430 I HN 0.408 nan 8.210 nan 0.000 0.443 431 S N 0.463 116.097 115.700 -0.111 0.000 2.746 431 S HA 0.716 5.186 4.470 0.000 0.000 0.273 431 S C 0.522 175.071 174.600 -0.085 0.000 1.172 431 S CA -0.165 58.004 58.200 -0.051 0.000 1.116 431 S CB 1.465 64.659 63.200 -0.009 0.000 1.057 431 S HN 0.365 nan 8.310 nan 0.000 0.483 432 A N 3.905 126.649 122.820 -0.128 0.000 1.935 432 A HA 0.239 4.559 4.320 0.000 0.000 0.214 432 A C 1.521 179.040 177.584 -0.108 0.000 1.178 432 A CA 0.844 52.806 52.037 -0.126 0.000 0.640 432 A CB -0.069 18.839 19.000 -0.154 0.000 0.825 432 A HN 0.776 nan 8.150 nan 0.000 0.447 433 E N -2.357 117.738 120.200 -0.176 0.000 2.717 433 E HA 0.094 4.444 4.350 0.000 0.000 0.204 433 E C 1.624 178.225 176.600 0.002 0.000 0.911 433 E CA 0.141 56.479 56.400 -0.103 0.000 1.370 433 E CB -0.001 29.615 29.700 -0.140 0.000 1.315 433 E HN 0.751 nan 8.360 nan 0.000 0.643 434 H N 0.792 119.893 119.070 0.052 0.000 2.423 434 H HA 0.099 4.655 4.556 0.000 0.000 0.297 434 H C 1.086 176.453 175.328 0.065 0.000 1.075 434 H CA 0.443 56.534 56.048 0.071 0.000 1.342 434 H CB 0.227 30.043 29.762 0.089 0.000 1.395 434 H HN 0.256 nan 8.280 nan 0.000 0.530 435 G N -0.005 108.885 108.800 0.149 0.000 2.526 435 G HA2 -0.205 3.755 3.960 0.000 0.000 0.250 435 G HA3 -0.205 3.755 3.960 0.000 0.000 0.250 435 G C 0.145 175.102 174.900 0.095 0.000 1.289 435 G CA -0.191 44.966 45.100 0.096 0.000 0.947 435 G HN 0.075 nan 8.290 nan 0.000 0.517 436 I N 1.289 121.897 120.570 0.064 0.000 2.681 436 I HA 0.268 4.438 4.170 0.000 0.000 0.247 436 I C 2.756 178.908 176.117 0.058 0.000 1.091 436 I CA 2.528 63.860 61.300 0.053 0.000 1.442 436 I CB -1.828 36.184 38.000 0.020 0.000 1.219 436 I HN 2.125 nan 8.210 nan 0.000 0.451 437 G N 1.846 110.671 108.800 0.042 0.000 2.651 437 G HA2 -0.290 3.670 3.960 0.000 0.000 0.315 437 G HA3 -0.290 3.670 3.960 0.000 0.000 0.315 437 G C 0.339 175.229 174.900 -0.017 0.000 1.258 437 G CA 0.655 45.770 45.100 0.024 0.000 1.002 437 G HN 0.243 nan 8.290 nan 0.000 0.551 441 R N 1.470 121.990 120.500 0.034 0.000 2.066 441 R HA -0.094 4.246 4.340 0.000 0.000 0.232 441 R C 0.944 177.249 176.300 0.008 0.000 1.131 441 R CA 2.045 58.149 56.100 0.007 0.000 0.955 441 R CB 0.182 30.475 30.300 -0.013 0.000 0.851 441 R HN 0.092 nan 8.270 nan 0.000 0.432 442 D N 0.074 120.488 120.400 0.024 0.000 2.149 442 D HA -0.147 4.493 4.640 0.000 0.000 0.201 442 D C 1.712 178.031 176.300 0.032 0.000 0.972 442 D CA 1.036 55.053 54.000 0.028 0.000 0.835 442 D CB -0.115 40.709 40.800 0.040 0.000 0.966 442 D HN 0.263 nan 8.370 nan 0.000 0.476 443 E N 0.505 120.732 120.200 0.044 0.000 2.106 443 E HA -0.126 4.224 4.350 0.000 0.000 0.192 443 E C 1.938 178.512 176.600 -0.045 0.000 0.984 443 E CA 0.350 56.760 56.400 0.016 0.000 0.806 443 E CB -0.307 29.405 29.700 0.019 0.000 0.750 443 E HN 0.121 nan 8.360 nan 0.000 0.458 444 L N 0.364 121.561 121.223 -0.042 0.000 2.012 444 L HA -0.098 4.242 4.340 0.000 0.000 0.210 444 L C 2.184 179.031 176.870 -0.040 0.000 1.073 444 L CA 2.360 57.168 54.840 -0.053 0.000 0.748 444 L CB -1.004 41.032 42.059 -0.037 0.000 0.891 444 L HN 0.187 nan 8.230 nan 0.000 0.431 445 A N -1.134 121.673 122.820 -0.023 0.000 2.019 445 A HA -0.206 4.114 4.320 0.000 0.000 0.219 445 A C 2.138 179.713 177.584 -0.015 0.000 1.164 445 A CA 1.801 53.828 52.037 -0.017 0.000 0.644 445 A CB -0.539 18.456 19.000 -0.008 0.000 0.805 445 A HN 0.656 nan 8.150 nan 0.000 0.449 446 E N -0.535 119.658 120.200 -0.012 0.000 2.076 446 E HA -0.073 4.278 4.350 0.000 0.000 0.190 446 E C 2.024 178.611 176.600 -0.022 0.000 0.979 446 E CA 1.357 57.753 56.400 -0.006 0.000 0.807 446 E CB -0.139 29.569 29.700 0.012 0.000 0.761 446 E HN 0.624 nan 8.360 nan 0.000 0.454 447 V N -0.701 119.187 119.914 -0.043 0.000 2.825 447 V HA 0.111 4.231 4.120 0.000 0.000 0.246 447 V C 0.906 176.968 176.094 -0.054 0.000 1.068 447 V CA 0.072 62.337 62.300 -0.057 0.000 1.088 447 V CB -0.109 31.654 31.823 -0.101 0.000 0.733 447 V HN -0.107 nan 8.190 nan 0.000 0.468 448 K N 2.505 122.874 120.400 -0.052 0.000 2.295 448 K HA 0.115 4.435 4.320 0.000 0.000 0.270 448 K C 0.225 176.802 176.600 -0.038 0.000 1.011 448 K CA -0.159 56.100 56.287 -0.048 0.000 0.953 448 K CB 0.209 32.681 32.500 -0.047 0.000 0.956 448 K HN 0.521 nan 8.250 nan 0.000 0.477 449 D N 2.912 123.290 120.400 -0.037 0.000 2.586 449 D HA -0.122 4.518 4.640 0.000 0.000 0.234 449 D C 0.585 176.867 176.300 -0.029 0.000 1.132 449 D CA 0.611 54.592 54.000 -0.032 0.000 0.860 449 D CB 0.720 41.500 40.800 -0.033 0.000 1.159 449 D HN 0.603 nan 8.370 nan 0.000 0.490 450 K N 2.308 122.693 120.400 -0.025 0.000 2.032 450 K HA -0.168 4.152 4.320 0.000 0.000 0.209 450 K C 1.773 178.358 176.600 -0.024 0.000 1.048 450 K CA 1.772 58.046 56.287 -0.022 0.000 0.927 450 K CB 0.036 32.525 32.500 -0.018 0.000 0.712 450 K HN 0.439 nan 8.250 nan 0.000 0.441 451 T N 0.641 115.179 114.554 -0.025 0.000 2.746 451 T HA -0.106 4.244 4.350 0.000 0.000 0.267 451 T C 1.832 176.512 174.700 -0.033 0.000 1.039 451 T CA 1.169 63.252 62.100 -0.028 0.000 1.142 451 T CB -0.326 68.525 68.868 -0.028 0.000 0.866 451 T HN 0.423 nan 8.240 nan 0.000 0.444 452 A N 1.278 124.077 122.820 -0.035 0.000 1.865 452 A HA -0.094 4.226 4.320 0.000 0.000 0.217 452 A C 2.261 179.821 177.584 -0.038 0.000 1.191 452 A CA 1.482 53.495 52.037 -0.039 0.000 0.623 452 A CB -0.869 18.107 19.000 -0.040 0.000 0.826 452 A HN 0.418 nan 8.150 nan 0.000 0.444 453 I N 0.137 120.687 120.570 -0.034 0.000 2.226 453 I HA -0.222 3.948 4.170 0.000 0.000 0.245 453 I C 2.266 178.365 176.117 -0.030 0.000 1.100 453 I CA 1.876 63.157 61.300 -0.032 0.000 1.374 453 I CB -0.353 37.631 38.000 -0.027 0.000 1.057 453 I HN 0.474 nan 8.210 nan 0.000 0.413 454 E N -0.030 120.153 120.200 -0.028 0.000 2.085 454 E HA -0.155 4.195 4.350 0.000 0.000 0.194 454 E C 1.126 177.708 176.600 -0.031 0.000 0.994 454 E CA 0.683 57.067 56.400 -0.026 0.000 0.801 454 E CB -0.193 29.493 29.700 -0.023 0.000 0.743 454 E HN 0.407 nan 8.360 nan 0.000 0.453 458 S N 1.400 117.083 115.700 -0.029 0.000 2.383 458 S HA 0.040 4.510 4.470 0.000 0.000 0.227 458 S C 1.861 176.441 174.600 -0.033 0.000 1.026 458 S CA 1.071 59.255 58.200 -0.027 0.000 0.981 458 S CB -0.003 63.180 63.200 -0.027 0.000 0.818 458 S HN 0.175 nan 8.310 nan 0.000 0.472 459 I N 1.368 121.911 120.570 -0.045 0.000 2.252 459 I HA -0.176 3.994 4.170 0.000 0.000 0.245 459 I C 2.477 178.563 176.117 -0.052 0.000 1.102 459 I CA 1.091 62.357 61.300 -0.057 0.000 1.385 459 I CB -0.216 37.733 38.000 -0.085 0.000 1.064 459 I HN 0.180 nan 8.210 nan 0.000 0.414 460 K N 1.909 122.282 120.400 -0.046 0.000 2.032 460 K HA -0.145 4.175 4.320 0.000 0.000 0.209 460 K C 2.015 178.601 176.600 -0.023 0.000 1.048 460 K CA 1.968 58.235 56.287 -0.033 0.000 0.927 460 K CB -0.468 32.016 32.500 -0.026 0.000 0.712 460 K HN 0.255 nan 8.250 nan 0.000 0.441 461 A N 0.431 123.238 122.820 -0.022 0.000 1.969 461 A HA -0.065 4.255 4.320 0.000 0.000 0.218 461 A C 2.085 179.653 177.584 -0.026 0.000 1.169 461 A CA 1.522 53.548 52.037 -0.018 0.000 0.635 461 A CB -0.621 18.371 19.000 -0.012 0.000 0.810 461 A HN 0.393 nan 8.150 nan 0.000 0.445 462 L N -1.054 120.154 121.223 -0.025 0.000 2.044 462 L HA 0.036 4.376 4.340 0.000 0.000 0.205 462 L C 1.915 178.772 176.870 -0.022 0.000 1.075 462 L CA 1.709 56.536 54.840 -0.023 0.000 0.747 462 L CB -0.539 41.510 42.059 -0.017 0.000 0.903 462 L HN 0.224 nan 8.230 nan 0.000 0.435 463 L N -0.635 120.579 121.223 -0.015 0.000 2.341 463 L HA 0.100 4.440 4.340 0.000 0.000 0.214 463 L C 0.399 177.267 176.870 -0.002 0.000 1.115 463 L CA 0.992 55.837 54.840 0.010 0.000 0.820 463 L CB -0.463 41.616 42.059 0.033 0.000 0.944 463 L HN 0.350 nan 8.230 nan 0.000 0.452 464 D N -1.356 119.030 120.400 -0.024 0.000 2.849 464 D HA 0.158 4.798 4.640 0.000 0.000 0.314 464 D C -1.801 174.463 176.300 -0.059 0.000 1.210 464 D CA -1.478 52.502 54.000 -0.033 0.000 0.756 464 D CB 0.764 41.567 40.800 0.004 0.000 1.222 464 D HN -0.109 nan 8.370 nan 0.000 0.521 465 P HA -0.146 nan 4.420 nan 0.000 0.216 465 P C 0.732 178.011 177.300 -0.035 0.000 1.150 465 P CA 1.269 64.293 63.100 -0.126 0.000 0.837 465 P CB 0.013 31.579 31.700 -0.223 0.000 0.786 466 H N -1.462 117.620 119.070 0.020 0.000 2.539 466 H HA 0.310 4.866 4.556 0.000 0.000 0.267 466 H C 1.119 176.459 175.328 0.019 0.000 0.982 466 H CA 0.031 56.091 56.048 0.020 0.000 1.146 466 H CB -0.424 29.352 29.762 0.023 0.000 1.382 466 H HN 0.143 nan 8.280 nan 0.000 0.577 467 G N 1.948 110.807 108.800 0.098 0.000 2.295 467 G HA2 -0.302 3.658 3.960 0.000 0.000 0.287 467 G HA3 -0.302 3.658 3.960 0.000 0.000 0.287 467 G C 0.345 175.283 174.900 0.064 0.000 1.055 467 G CA 0.707 45.845 45.100 0.064 0.000 0.922 467 G HN 0.599 nan 8.290 nan 0.000 0.503 471 P HA 0.263 nan 4.420 nan 0.000 0.269 471 P C 0.875 178.173 177.300 -0.003 0.000 1.215 471 P CA 0.881 63.986 63.100 0.007 0.000 0.780 471 P CB 0.516 32.223 31.700 0.012 0.000 0.898 472 G N 0.639 109.432 108.800 -0.013 0.000 2.143 472 G HA2 -0.222 3.738 3.960 0.000 0.000 0.248 472 G HA3 -0.222 3.738 3.960 0.000 0.000 0.248 472 G C -0.145 174.726 174.900 -0.047 0.000 0.991 472 G CA 0.069 45.149 45.100 -0.034 0.000 0.689 472 G HN 0.642 nan 8.290 nan 0.000 0.522 473 K N -0.750 119.634 120.400 -0.026 0.000 2.371 473 K HA 0.689 5.009 4.320 0.000 0.000 0.251 473 K C 1.246 177.839 176.600 -0.013 0.000 0.934 473 K CA -0.548 55.725 56.287 -0.024 0.000 0.798 473 K CB 2.988 35.483 32.500 -0.008 0.000 1.204 473 K HN 0.510 nan 8.250 nan 0.000 0.427 474 V N -0.852 119.056 119.914 -0.011 0.000 0.550 474 V HA -0.388 3.732 4.120 0.000 0.000 0.092 474 V C 0.430 176.515 176.094 -0.015 0.000 2.065 474 V CA 1.855 64.150 62.300 -0.008 0.000 3.496 474 V CB -2.070 29.750 31.823 -0.005 0.000 0.788 474 V HN 0.721 nan 8.190 nan 0.000 0.820 475 V N 0.000 119.904 119.914 -0.016 0.000 2.409 475 V HA 0.000 4.120 4.120 0.000 0.000 0.244 475 V CA 0.000 62.290 62.300 -0.017 0.000 1.235 475 V CB 0.000 31.811 31.823 -0.020 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556