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 2ja2_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTATETVRVR FCPSPTGTPH VGLVRTALFN WAYARHTGGT FVFRIEDTDA DATA SEQUENCE QRDSEESYLA LLDALRWLGL DWDEGPEVGG PYGPYRQSQR AEIYRDVLAR DATA SEQUENCE LLAAGEAYHA FSTPEEVEAR HVAAGRNPKL GYDNFDRHLT DAQRAAYLAE DATA SEQUENCE GRQPVVRLRM PDDDLAWNDL VRGPVTFAAG SVPDFALTRA SGDPLYTLVN DATA SEQUENCE PCDDALMKIT HVLRGEDLLP STPRQLALHQ ALIRIGVAER IPKFAHLPTV DATA SEQUENCE LGEGTKKLSK RDPQSNLFAH RDRGFIPEGL LNYLALLGWS IADDHDLFGL DATA SEQUENCE DEMVAAFDVA DVNSSPARFD QKKADALNAE HIRMLDVGDF TVRLRDHLDT DATA SEQUENCE HGHHIALDEA AFAAAAELVQ TRIVVLGDAW ELLKFFNDDQ YVIDPKAAAK DATA SEQUENCE ELGPDGAAVL DAALAALTSV TDWTAPLIEA ALKDALIEGL ALKPRKAFSP DATA SEQUENCE IRVAATGTTV SPPLFESLEL LGRDRSMQRL RAARQ 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.321 176.300 0.036 0.000 1.140 1 M CA 0.000 55.318 55.300 0.030 0.000 0.988 1 M CB 0.000 32.620 32.600 0.034 0.000 1.302 2 T N -0.661 113.912 114.554 0.032 0.000 3.602 2 T HA 0.434 4.791 4.350 0.012 0.000 0.287 2 T C 0.314 175.025 174.700 0.018 0.000 0.967 2 T CA 0.893 63.007 62.100 0.023 0.000 1.111 2 T CB 0.165 69.043 68.868 0.017 0.000 1.156 2 T HN 0.347 nan 8.240 nan 0.000 0.470 3 A N 2.364 125.194 122.820 0.017 0.000 2.561 3 A HA 0.462 4.790 4.320 0.012 0.000 0.234 3 A C 0.462 178.053 177.584 0.012 0.000 1.055 3 A CA 0.478 52.521 52.037 0.010 0.000 0.756 3 A CB -0.325 18.684 19.000 0.015 0.000 0.986 3 A HN 0.513 nan 8.150 nan 0.000 0.505 4 T N 3.120 117.669 114.554 -0.008 0.000 2.901 4 T HA 0.167 4.524 4.350 0.012 0.000 0.301 4 T C 0.467 175.163 174.700 -0.006 0.000 1.012 4 T CA -0.033 62.054 62.100 -0.022 0.000 1.135 4 T CB 0.268 69.094 68.868 -0.070 0.000 0.936 4 T HN 0.676 nan 8.240 nan 0.000 0.539 5 E N 1.788 121.995 120.200 0.012 0.000 2.422 5 E HA 0.059 4.416 4.350 0.012 0.000 0.260 5 E C -0.048 176.554 176.600 0.003 0.000 1.108 5 E CA 0.223 56.651 56.400 0.047 0.000 0.943 5 E CB 0.499 30.262 29.700 0.106 0.000 0.961 5 E HN 0.458 nan 8.360 nan 0.000 0.443 6 T N 1.941 116.528 114.554 0.055 0.000 2.728 6 T HA 0.304 4.661 4.350 0.012 0.000 0.296 6 T C -0.374 174.374 174.700 0.080 0.000 0.940 6 T CA -0.443 61.679 62.100 0.037 0.000 1.013 6 T CB 0.531 69.427 68.868 0.047 0.000 0.912 6 T HN 0.085 nan 8.240 nan 0.000 0.484 7 V N 5.427 125.344 119.914 0.004 0.000 2.531 7 V HA 0.557 4.684 4.120 0.012 0.000 0.301 7 V C -0.118 176.002 176.094 0.044 0.000 1.034 7 V CA -0.924 61.383 62.300 0.010 0.000 0.865 7 V CB 1.946 33.604 31.823 -0.274 0.000 0.995 7 V HN 0.735 nan 8.190 nan 0.000 0.424 8 R N 3.129 123.702 120.500 0.123 0.000 2.483 8 R HA 0.743 5.090 4.340 0.012 0.000 0.303 8 R C -1.026 175.351 176.300 0.129 0.000 0.987 8 R CA -0.505 55.656 56.100 0.101 0.000 0.881 8 R CB 2.299 32.647 30.300 0.079 0.000 1.177 8 R HN 0.655 nan 8.270 nan 0.000 0.451 9 V N 0.106 120.098 119.914 0.131 0.000 3.046 9 V HA 0.746 4.873 4.120 0.012 0.000 0.316 9 V C -0.427 175.703 176.094 0.059 0.000 1.104 9 V CA -1.128 61.260 62.300 0.147 0.000 1.006 9 V CB 2.019 33.992 31.823 0.250 0.000 1.058 9 V HN 0.747 nan 8.190 nan 0.000 0.440 10 R N 1.757 122.284 120.500 0.044 0.000 2.854 10 R HA 0.632 4.979 4.340 0.012 0.000 0.271 10 R C -2.082 174.251 176.300 0.056 0.000 0.994 10 R CA -0.819 55.259 56.100 -0.038 0.000 0.945 10 R CB 1.889 32.194 30.300 0.008 0.000 1.194 10 R HN 0.855 nan 8.270 nan 0.000 0.476 11 F N 2.503 122.331 119.950 -0.202 0.000 2.460 11 F HA 0.435 4.969 4.527 0.012 0.000 0.341 11 F C -0.703 175.153 175.800 0.094 0.000 1.130 11 F CA -1.470 56.516 58.000 -0.024 0.000 0.962 11 F CB 0.978 39.973 39.000 -0.008 0.000 1.171 11 F HN 0.720 nan 8.300 nan 0.000 0.436 12 C N 6.262 125.396 119.300 -0.276 0.000 3.163 12 C HA 0.548 5.015 4.460 0.012 0.000 0.228 12 C C -2.656 172.162 174.990 -0.286 0.000 1.593 12 C CA -1.975 56.915 59.018 -0.214 0.000 1.489 12 C CB -0.874 26.840 27.740 -0.042 0.000 2.294 12 C HN 0.597 nan 8.230 nan 0.000 0.508 13 P HA 0.274 nan 4.420 nan 0.000 0.274 13 P C -0.074 177.145 177.300 -0.135 0.000 1.237 13 P CA 0.700 63.603 63.100 -0.329 0.000 0.793 13 P CB 1.083 32.531 31.700 -0.419 0.000 0.977 14 S N 2.212 117.871 115.700 -0.068 0.000 2.525 14 S HA 0.352 4.830 4.470 0.012 0.000 0.278 14 S C -2.030 172.571 174.600 0.001 0.000 1.234 14 S CA -1.095 57.089 58.200 -0.027 0.000 1.058 14 S CB 0.332 63.519 63.200 -0.021 0.000 0.983 14 S HN 0.405 nan 8.310 nan 0.000 0.495 15 P HA 0.227 nan 4.420 nan 0.000 0.231 15 P C -0.990 176.337 177.300 0.044 0.000 1.811 15 P CA -0.210 62.925 63.100 0.060 0.000 1.051 15 P CB -0.412 31.349 31.700 0.103 0.000 1.951 16 T N 0.600 115.173 114.554 0.032 0.000 2.879 16 T HA 0.608 4.965 4.350 0.012 0.000 0.290 16 T C 0.315 175.032 174.700 0.028 0.000 0.993 16 T CA 0.293 62.406 62.100 0.023 0.000 0.975 16 T CB 1.780 70.653 68.868 0.007 0.000 0.981 16 T HN 0.511 nan 8.240 nan 0.000 0.439 17 G N 2.999 111.816 108.800 0.029 0.000 2.645 17 G HA2 -0.142 3.825 3.960 0.012 0.000 0.246 17 G HA3 -0.142 3.825 3.960 0.012 0.000 0.246 17 G C 0.032 174.949 174.900 0.028 0.000 1.322 17 G CA -0.195 44.921 45.100 0.026 0.000 0.898 17 G HN 1.270 nan 8.290 nan 0.000 0.573 18 T N -0.973 113.587 114.554 0.010 0.000 2.944 18 T HA 0.679 5.036 4.350 0.012 0.000 0.284 18 T C -2.731 171.933 174.700 -0.060 0.000 1.010 18 T CA -1.178 60.908 62.100 -0.023 0.000 1.025 18 T CB 2.005 70.851 68.868 -0.038 0.000 1.079 18 T HN 0.533 nan 8.240 nan 0.000 0.516 19 P HA 0.137 nan 4.420 nan 0.000 0.269 19 P C -0.308 176.936 177.300 -0.093 0.000 1.263 19 P CA -0.156 62.857 63.100 -0.145 0.000 0.813 19 P CB -0.212 31.279 31.700 -0.348 0.000 0.868 20 H N 3.800 122.828 119.070 -0.070 0.000 2.929 20 H HA -0.006 4.557 4.556 0.012 0.000 0.317 20 H C 1.465 176.771 175.328 -0.038 0.000 1.031 20 H CA 0.084 56.100 56.048 -0.054 0.000 1.466 20 H CB 1.059 30.805 29.762 -0.027 0.000 1.482 20 H HN 0.203 nan 8.280 nan 0.000 0.561 21 V N 3.418 123.313 119.914 -0.033 0.000 2.469 21 V HA -0.141 3.986 4.120 0.012 0.000 0.251 21 V C 2.204 178.418 176.094 0.199 0.000 1.064 21 V CA 1.878 64.221 62.300 0.071 0.000 1.066 21 V CB -1.153 30.683 31.823 0.021 0.000 0.667 21 V HN 0.759 nan 8.190 nan 0.000 0.461 22 G N 0.338 109.395 108.800 0.429 0.000 2.418 22 G HA2 -0.165 3.802 3.960 0.012 0.000 0.217 22 G HA3 -0.165 3.802 3.960 0.012 0.000 0.217 22 G C 1.581 176.525 174.900 0.073 0.000 1.158 22 G CA 1.210 46.422 45.100 0.186 0.000 0.771 22 G HN 0.528 nan 8.290 nan 0.000 0.545 23 L N 0.177 121.475 121.223 0.124 0.000 2.109 23 L HA -0.038 4.309 4.340 0.012 0.000 0.207 23 L C 2.967 179.902 176.870 0.109 0.000 1.086 23 L CA 0.306 55.244 54.840 0.163 0.000 0.760 23 L CB -0.239 41.955 42.059 0.226 0.000 0.910 23 L HN 0.099 nan 8.230 nan 0.000 0.437 24 V N -0.332 119.601 119.914 0.032 0.000 2.427 24 V HA -0.226 3.901 4.120 0.012 0.000 0.248 24 V C 2.677 178.676 176.094 -0.159 0.000 1.051 24 V CA 1.371 63.599 62.300 -0.120 0.000 1.048 24 V CB -0.746 31.041 31.823 -0.060 0.000 0.666 24 V HN 0.471 nan 8.190 nan 0.000 0.456 25 R N 0.725 121.168 120.500 -0.096 0.000 2.096 25 R HA -0.193 4.154 4.340 0.012 0.000 0.240 25 R C 2.185 178.305 176.300 -0.300 0.000 1.139 25 R CA 2.589 58.582 56.100 -0.180 0.000 0.952 25 R CB -1.028 29.137 30.300 -0.225 0.000 0.854 25 R HN 0.509 nan 8.270 nan 0.000 0.436 26 T N 1.212 115.626 114.554 -0.233 0.000 2.746 26 T HA -0.065 4.292 4.350 0.012 0.000 0.267 26 T C 1.883 176.534 174.700 -0.082 0.000 1.039 26 T CA 1.527 63.541 62.100 -0.142 0.000 1.142 26 T CB -0.370 68.507 68.868 0.015 0.000 0.866 26 T HN 0.471 nan 8.240 nan 0.000 0.444 27 A N 1.521 124.122 122.820 -0.364 0.000 1.892 27 A HA -0.092 4.235 4.320 0.012 0.000 0.218 27 A C 2.255 179.716 177.584 -0.205 0.000 1.188 27 A CA 1.671 53.333 52.037 -0.625 0.000 0.631 27 A CB -0.920 17.225 19.000 -1.424 0.000 0.822 27 A HN 0.434 nan 8.150 nan 0.000 0.447 28 L N -1.771 119.337 121.223 -0.192 0.000 2.046 28 L HA -0.062 4.285 4.340 0.012 0.000 0.208 28 L C 2.147 179.005 176.870 -0.020 0.000 1.077 28 L CA 1.874 56.653 54.840 -0.101 0.000 0.747 28 L CB -0.690 41.336 42.059 -0.056 0.000 0.896 28 L HN 0.299 nan 8.230 nan 0.000 0.432 29 F N 0.386 120.162 119.950 -0.291 0.000 2.134 29 F HA -0.178 4.355 4.527 0.011 0.000 0.299 29 F C 2.545 178.144 175.800 -0.335 0.000 1.097 29 F CA 1.217 58.922 58.000 -0.491 0.000 1.264 29 F CB -1.191 37.716 39.000 -0.154 0.000 1.001 29 F HN 0.258 nan 8.300 nan 0.000 0.479 30 N N -1.075 117.735 118.700 0.184 0.000 2.084 30 N HA -0.250 4.497 4.740 0.012 0.000 0.190 30 N C 1.916 177.580 175.510 0.256 0.000 1.030 30 N CA 1.502 54.739 53.050 0.312 0.000 0.849 30 N CB -0.777 38.000 38.487 0.483 0.000 1.012 30 N HN 0.386 nan 8.380 nan 0.000 0.423 31 W N 1.997 123.183 121.300 -0.190 0.000 2.355 31 W HA -0.073 4.594 4.660 0.013 0.000 0.309 31 W C 2.502 178.822 176.519 -0.331 0.000 1.206 31 W CA 2.214 59.235 57.345 -0.540 0.000 1.284 31 W CB -0.422 28.548 29.460 -0.817 0.000 1.145 31 W HN 0.058 nan 8.180 nan 0.000 0.502 32 A N -0.952 121.793 122.820 -0.126 0.000 1.902 32 A HA -0.263 4.065 4.320 0.012 0.000 0.217 32 A C 1.841 179.255 177.584 -0.283 0.000 1.181 32 A CA 1.770 53.606 52.037 -0.334 0.000 0.623 32 A CB -1.525 17.064 19.000 -0.684 0.000 0.818 32 A HN 0.535 nan 8.150 nan 0.000 0.443 33 Y N 0.573 120.656 120.300 -0.362 0.000 2.200 33 Y HA -0.002 4.554 4.550 0.011 0.000 0.290 33 Y C 2.671 178.529 175.900 -0.070 0.000 1.137 33 Y CA 0.790 58.856 58.100 -0.055 0.000 1.163 33 Y CB -0.738 37.758 38.460 0.060 0.000 0.988 33 Y HN 0.311 nan 8.280 nan 0.000 0.518 34 A N 0.797 123.505 122.820 -0.187 0.000 1.883 34 A HA -0.206 4.121 4.320 0.012 0.000 0.217 34 A C 2.336 179.709 177.584 -0.350 0.000 1.186 34 A CA 1.877 53.755 52.037 -0.266 0.000 0.624 34 A CB -0.522 18.398 19.000 -0.133 0.000 0.822 34 A HN 0.367 nan 8.150 nan 0.000 0.444 35 R N -1.322 118.887 120.500 -0.486 0.000 2.092 35 R HA -0.118 4.229 4.340 0.012 0.000 0.231 35 R C 2.066 178.207 176.300 -0.265 0.000 1.119 35 R CA 1.669 57.474 56.100 -0.492 0.000 0.970 35 R CB -1.113 28.698 30.300 -0.814 0.000 0.864 35 R HN 0.846 nan 8.270 nan 0.000 0.440 36 H N 0.791 119.692 119.070 -0.281 0.000 2.352 36 H HA -0.094 4.469 4.556 0.011 0.000 0.299 36 H C 1.398 176.607 175.328 -0.199 0.000 1.097 36 H CA 2.382 58.326 56.048 -0.173 0.000 1.311 36 H CB 0.128 29.848 29.762 -0.071 0.000 1.377 36 H HN 0.259 nan 8.280 nan 0.000 0.504 37 T N -3.856 110.539 114.554 -0.265 0.000 3.105 37 T HA 0.261 4.618 4.350 0.012 0.000 0.253 37 T C 1.538 176.091 174.700 -0.245 0.000 1.047 37 T CA 0.296 62.209 62.100 -0.311 0.000 0.944 37 T CB -0.039 68.564 68.868 -0.441 0.000 1.016 37 T HN 0.566 nan 8.240 nan 0.000 0.544 38 G N 0.743 109.408 108.800 -0.225 0.000 2.179 38 G HA2 -0.098 3.869 3.960 0.012 0.000 0.257 38 G HA3 -0.098 3.869 3.960 0.012 0.000 0.257 38 G C 0.509 175.323 174.900 -0.143 0.000 1.010 38 G CA -0.043 44.956 45.100 -0.170 0.000 0.736 38 G HN 1.023 nan 8.290 nan 0.000 0.513 39 G N -1.473 107.222 108.800 -0.175 0.000 2.525 39 G HA2 0.615 4.582 3.960 0.012 0.000 0.287 39 G HA3 0.615 4.582 3.960 0.012 0.000 0.287 39 G C -0.114 174.746 174.900 -0.067 0.000 1.350 39 G CA 0.421 45.450 45.100 -0.117 0.000 1.039 39 G HN 0.575 nan 8.290 nan 0.000 0.513 40 T N 0.072 114.631 114.554 0.007 0.000 2.797 40 T HA 0.404 4.762 4.350 0.012 0.000 0.279 40 T C -1.336 173.459 174.700 0.159 0.000 0.991 40 T CA -0.094 62.052 62.100 0.077 0.000 0.979 40 T CB 1.266 70.190 68.868 0.095 0.000 0.943 40 T HN 0.325 nan 8.240 nan 0.000 0.444 41 F N 4.618 124.597 119.950 0.049 0.000 2.361 41 F HA 0.596 5.131 4.527 0.013 0.000 0.364 41 F C -0.666 175.265 175.800 0.218 0.000 1.117 41 F CA -0.833 57.245 58.000 0.129 0.000 1.071 41 F CB 0.633 39.712 39.000 0.133 0.000 1.188 41 F HN 0.241 nan 8.300 nan 0.000 0.464 42 V N 7.538 127.325 119.914 -0.212 0.000 2.407 42 V HA 0.215 4.342 4.120 0.012 0.000 0.278 42 V C -0.587 175.359 176.094 -0.246 0.000 1.037 42 V CA -0.663 61.563 62.300 -0.124 0.000 0.900 42 V CB 1.061 32.903 31.823 0.032 0.000 0.983 42 V HN 0.591 nan 8.190 nan 0.000 0.459 43 F N 6.553 126.325 119.950 -0.297 0.000 2.361 43 F HA 0.610 5.144 4.527 0.011 0.000 0.364 43 F C -0.001 175.696 175.800 -0.170 0.000 1.117 43 F CA -1.336 56.477 58.000 -0.312 0.000 1.071 43 F CB 0.773 39.462 39.000 -0.518 0.000 1.188 43 F HN 0.472 nan 8.300 nan 0.000 0.464 44 R N 7.303 127.810 120.500 0.011 0.000 2.437 44 R HA 0.533 4.880 4.340 0.012 0.000 0.310 44 R C -1.409 174.781 176.300 -0.184 0.000 0.955 44 R CA -0.697 55.368 56.100 -0.058 0.000 0.851 44 R CB 1.051 31.385 30.300 0.057 0.000 1.161 44 R HN 0.553 nan 8.270 nan 0.000 0.446 45 I N 4.336 124.779 120.570 -0.212 0.000 2.304 45 I HA 0.154 4.331 4.170 0.012 0.000 0.291 45 I C 0.077 176.151 176.117 -0.072 0.000 1.018 45 I CA -0.117 61.085 61.300 -0.164 0.000 1.260 45 I CB 1.561 39.487 38.000 -0.123 0.000 1.390 45 I HN 0.655 nan 8.210 nan 0.000 0.475 46 E N 5.846 126.014 120.200 -0.052 0.000 2.069 46 E HA 0.088 4.445 4.350 0.012 0.000 0.254 46 E C -0.546 176.048 176.600 -0.010 0.000 1.088 46 E CA -0.198 56.193 56.400 -0.015 0.000 1.017 46 E CB 0.348 30.056 29.700 0.013 0.000 1.226 46 E HN 0.458 nan 8.360 nan 0.000 0.458 47 D N 0.981 121.371 120.400 -0.017 0.000 3.088 47 D HA -0.026 4.621 4.640 0.012 0.000 0.310 47 D C 0.785 177.075 176.300 -0.017 0.000 1.351 47 D CA -0.510 53.477 54.000 -0.021 0.000 0.921 47 D CB 0.102 40.875 40.800 -0.044 0.000 1.045 47 D HN 0.091 nan 8.370 nan 0.000 0.504 48 T N -3.148 111.400 114.554 -0.010 0.000 3.188 48 T HA 0.091 4.448 4.350 0.012 0.000 0.250 48 T C 0.061 174.750 174.700 -0.018 0.000 1.077 48 T CA -0.462 61.629 62.100 -0.014 0.000 0.967 48 T CB -0.074 68.775 68.868 -0.032 0.000 1.006 48 T HN 0.046 nan 8.240 nan 0.000 0.552 49 D N 0.613 121.003 120.400 -0.016 0.000 2.454 49 D HA 0.647 5.294 4.640 0.012 0.000 0.247 49 D C 1.095 177.385 176.300 -0.016 0.000 1.129 49 D CA -0.482 53.508 54.000 -0.017 0.000 0.877 49 D CB 1.090 41.880 40.800 -0.017 0.000 1.082 49 D HN 0.072 nan 8.370 nan 0.000 0.537 50 A N 3.481 126.291 122.820 -0.017 0.000 1.972 50 A HA -0.194 4.134 4.320 0.012 0.000 0.219 50 A C 1.916 179.493 177.584 -0.012 0.000 1.169 50 A CA 1.252 53.280 52.037 -0.016 0.000 0.635 50 A CB -0.308 18.681 19.000 -0.017 0.000 0.810 50 A HN 0.678 nan 8.150 nan 0.000 0.446 51 Q N -0.919 118.873 119.800 -0.012 0.000 2.050 51 Q HA -0.134 4.213 4.340 0.012 0.000 0.202 51 Q C 2.343 178.339 176.000 -0.007 0.000 0.980 51 Q CA 1.478 57.275 55.803 -0.010 0.000 0.840 51 Q CB -0.113 28.619 28.738 -0.011 0.000 0.898 51 Q HN 0.608 nan 8.270 nan 0.000 0.424 52 R N 0.205 120.701 120.500 -0.008 0.000 2.140 52 R HA 0.028 4.375 4.340 0.012 0.000 0.213 52 R C 0.062 176.362 176.300 0.001 0.000 1.059 52 R CA 0.179 56.276 56.100 -0.005 0.000 1.000 52 R CB 0.257 30.552 30.300 -0.009 0.000 0.910 52 R HN 0.244 nan 8.270 nan 0.000 0.455 53 D N 1.120 121.519 120.400 -0.001 0.000 2.362 53 D HA 0.087 4.734 4.640 0.012 0.000 0.242 53 D C 0.066 176.373 176.300 0.010 0.000 1.132 53 D CA 0.512 54.514 54.000 0.004 0.000 0.907 53 D CB 1.428 42.224 40.800 -0.007 0.000 1.195 53 D HN 0.074 nan 8.370 nan 0.000 0.429 54 S N 0.155 115.871 115.700 0.027 0.000 2.537 54 S HA 0.227 4.704 4.470 0.012 0.000 0.270 54 S C 0.466 175.109 174.600 0.072 0.000 1.142 54 S CA -0.764 57.458 58.200 0.037 0.000 0.870 54 S CB 2.022 65.245 63.200 0.039 0.000 1.112 54 S HN 0.146 nan 8.310 nan 0.000 0.466 55 E N 1.683 121.923 120.200 0.068 0.000 2.150 55 E HA -0.116 4.241 4.350 0.012 0.000 0.193 55 E C 1.593 178.297 176.600 0.174 0.000 0.985 55 E CA 1.292 57.767 56.400 0.124 0.000 0.814 55 E CB -0.254 29.493 29.700 0.077 0.000 0.752 55 E HN 0.905 nan 8.360 nan 0.000 0.466 56 E N 0.541 120.808 120.200 0.112 0.000 2.097 56 E HA -0.162 4.195 4.350 0.012 0.000 0.196 56 E C 1.863 178.537 176.600 0.123 0.000 1.000 56 E CA 1.455 57.916 56.400 0.101 0.000 0.804 56 E CB 0.136 29.877 29.700 0.068 0.000 0.740 56 E HN 0.031 nan 8.360 nan 0.000 0.454 57 S N -0.529 115.246 115.700 0.124 0.000 2.387 57 S HA -0.126 4.351 4.470 0.012 0.000 0.226 57 S C 1.501 176.194 174.600 0.155 0.000 1.026 57 S CA 0.851 59.123 58.200 0.121 0.000 0.972 57 S CB -0.389 62.866 63.200 0.092 0.000 0.814 57 S HN 0.442 nan 8.310 nan 0.000 0.477 58 Y N 2.760 123.088 120.300 0.047 0.000 2.097 58 Y HA -0.119 4.437 4.550 0.011 0.000 0.282 58 Y C 1.798 177.751 175.900 0.087 0.000 1.152 58 Y CA 1.402 59.526 58.100 0.040 0.000 1.136 58 Y CB -0.632 37.832 38.460 0.007 0.000 0.975 58 Y HN 0.124 nan 8.280 nan 0.000 0.498 59 L N 0.042 121.255 121.223 -0.017 0.000 2.131 59 L HA -0.208 4.139 4.340 0.012 0.000 0.210 59 L C 2.756 179.634 176.870 0.013 0.000 1.092 59 L CA 1.131 55.914 54.840 -0.095 0.000 0.759 59 L CB -0.999 41.093 42.059 0.056 0.000 0.903 59 L HN 0.403 nan 8.230 nan 0.000 0.435 60 A N -0.077 122.807 122.820 0.106 0.000 1.968 60 A HA -0.087 4.240 4.320 0.012 0.000 0.217 60 A C 2.255 179.983 177.584 0.240 0.000 1.169 60 A CA 1.032 53.218 52.037 0.247 0.000 0.638 60 A CB -0.441 18.734 19.000 0.292 0.000 0.812 60 A HN 0.339 nan 8.150 nan 0.000 0.446 61 L N -1.062 120.243 121.223 0.136 0.000 2.056 61 L HA -0.160 4.187 4.340 0.012 0.000 0.207 61 L C 2.388 179.372 176.870 0.190 0.000 1.078 61 L CA 0.711 55.653 54.840 0.170 0.000 0.749 61 L CB -0.478 41.717 42.059 0.225 0.000 0.901 61 L HN 0.292 nan 8.230 nan 0.000 0.433 62 L N -0.151 121.145 121.223 0.121 0.000 2.046 62 L HA -0.260 4.087 4.340 0.012 0.000 0.208 62 L C 2.231 179.282 176.870 0.301 0.000 1.077 62 L CA 1.851 56.813 54.840 0.202 0.000 0.747 62 L CB -0.754 41.371 42.059 0.110 0.000 0.896 62 L HN 0.265 nan 8.230 nan 0.000 0.432 63 D N -0.652 119.898 120.400 0.250 0.000 2.117 63 D HA -0.174 4.473 4.640 0.012 0.000 0.197 63 D C 2.170 178.719 176.300 0.416 0.000 0.987 63 D CA 1.308 55.478 54.000 0.284 0.000 0.829 63 D CB 0.064 40.980 40.800 0.192 0.000 0.961 63 D HN 0.248 nan 8.370 nan 0.000 0.460 64 A N 0.339 123.444 122.820 0.475 0.000 1.865 64 A HA -0.124 4.203 4.320 0.012 0.000 0.217 64 A C 2.524 180.294 177.584 0.310 0.000 1.191 64 A CA 1.364 53.660 52.037 0.432 0.000 0.623 64 A CB -0.941 18.111 19.000 0.087 0.000 0.826 64 A HN 0.376 nan 8.150 nan 0.000 0.444 65 L N -1.321 120.017 121.223 0.193 0.000 2.056 65 L HA -0.184 4.163 4.340 0.012 0.000 0.207 65 L C 2.930 179.907 176.870 0.178 0.000 1.078 65 L CA 1.520 56.428 54.840 0.113 0.000 0.749 65 L CB -0.510 41.605 42.059 0.093 0.000 0.901 65 L HN 0.384 nan 8.230 nan 0.000 0.433 66 R N -1.086 119.596 120.500 0.304 0.000 2.081 66 R HA -0.224 4.123 4.340 0.012 0.000 0.235 66 R C 2.098 178.501 176.300 0.172 0.000 1.131 66 R CA 1.850 58.076 56.100 0.210 0.000 0.960 66 R CB -0.516 29.921 30.300 0.227 0.000 0.856 66 R HN 0.373 nan 8.270 nan 0.000 0.436 67 W N 1.383 122.733 121.300 0.083 0.000 2.363 67 W HA -0.120 4.547 4.660 0.011 0.000 0.296 67 W C 1.332 177.867 176.519 0.026 0.000 1.212 67 W CA 1.242 58.629 57.345 0.070 0.000 1.260 67 W CB -0.124 29.415 29.460 0.132 0.000 1.131 67 W HN -0.017 nan 8.180 nan 0.000 0.530 68 L N 0.399 121.611 121.223 -0.018 0.000 2.478 68 L HA 0.184 4.532 4.340 0.012 0.000 0.223 68 L C 1.939 178.591 176.870 -0.364 0.000 1.140 68 L CA 0.889 55.553 54.840 -0.292 0.000 0.842 68 L CB -0.917 41.047 42.059 -0.159 0.000 0.953 68 L HN 0.268 nan 8.230 nan 0.000 0.452 69 G N 0.524 109.156 108.800 -0.280 0.000 2.132 69 G HA2 -0.260 3.707 3.960 0.012 0.000 0.228 69 G HA3 -0.260 3.707 3.960 0.012 0.000 0.228 69 G C 0.132 174.742 174.900 -0.483 0.000 1.000 69 G CA -0.311 44.607 45.100 -0.304 0.000 0.693 69 G HN 0.234 nan 8.290 nan 0.000 0.515 70 L N 2.551 123.435 121.223 -0.565 0.000 2.352 70 L HA 0.337 4.685 4.340 0.012 0.000 0.272 70 L C 0.309 177.008 176.870 -0.285 0.000 1.109 70 L CA -0.938 53.325 54.840 -0.963 0.000 0.952 70 L CB 0.285 41.680 42.059 -1.108 0.000 1.314 70 L HN 0.358 nan 8.230 nan 0.000 0.427 71 D N 1.458 121.869 120.400 0.019 0.000 2.341 71 D HA 0.103 4.750 4.640 0.012 0.000 0.245 71 D C -0.563 176.013 176.300 0.461 0.000 1.106 71 D CA -0.465 53.622 54.000 0.144 0.000 0.905 71 D CB 0.950 41.780 40.800 0.049 0.000 1.202 71 D HN 0.332 nan 8.370 nan 0.000 0.426 72 W N 0.849 122.363 121.300 0.356 0.000 2.551 72 W HA 0.477 5.144 4.660 0.011 0.000 0.330 72 W C 0.073 176.775 176.519 0.306 0.000 1.063 72 W CA -0.919 56.741 57.345 0.524 0.000 1.222 72 W CB 0.825 30.634 29.460 0.582 0.000 1.349 72 W HN 0.091 nan 8.180 nan 0.000 0.536 73 D N 1.207 121.876 120.400 0.449 0.000 2.213 73 D HA -0.053 4.594 4.640 0.012 0.000 0.205 73 D C -0.218 176.168 176.300 0.144 0.000 0.961 73 D CA 1.188 55.311 54.000 0.205 0.000 0.853 73 D CB 0.382 41.286 40.800 0.174 0.000 0.967 73 D HN 0.600 nan 8.370 nan 0.000 0.496 74 E N -0.805 119.492 120.200 0.161 0.000 2.331 74 E HA 0.594 4.951 4.350 0.012 0.000 0.275 74 E C -0.149 176.316 176.600 -0.225 0.000 0.895 74 E CA -0.774 55.551 56.400 -0.124 0.000 0.753 74 E CB 2.935 32.505 29.700 -0.218 0.000 1.216 74 E HN 0.087 nan 8.360 nan 0.000 0.434 75 G N 1.775 110.265 108.800 -0.517 0.000 2.352 75 G HA2 0.093 4.060 3.960 0.012 0.000 0.283 75 G HA3 0.093 4.060 3.960 0.012 0.000 0.283 75 G C -3.112 171.839 174.900 0.085 0.000 1.308 75 G CA -1.036 43.864 45.100 -0.334 0.000 0.892 75 G HN 0.304 nan 8.290 nan 0.000 0.504 76 P HA 0.325 nan 4.420 nan 0.000 0.266 76 P C 0.244 177.816 177.300 0.454 0.000 1.195 76 P CA 0.980 64.223 63.100 0.239 0.000 0.768 76 P CB 0.398 32.175 31.700 0.128 0.000 0.838 77 E N -0.914 119.480 120.200 0.324 0.000 3.870 77 E HA -0.241 4.116 4.350 0.012 0.000 0.329 77 E C 0.647 177.361 176.600 0.190 0.000 0.702 77 E CA 0.819 57.379 56.400 0.266 0.000 1.174 77 E CB -1.551 28.329 29.700 0.300 0.000 1.619 77 E HN 0.331 nan 8.360 nan 0.000 0.441 78 V N -1.265 118.775 119.914 0.211 0.000 3.572 78 V HA 0.365 4.492 4.120 0.012 0.000 0.260 78 V C 0.976 177.129 176.094 0.098 0.000 1.324 78 V CA 1.979 64.336 62.300 0.095 0.000 1.068 78 V CB 0.676 32.502 31.823 0.004 0.000 0.837 78 V HN 0.625 nan 8.190 nan 0.000 0.450 79 G N 0.289 109.172 108.800 0.140 0.000 2.562 79 G HA2 0.308 4.275 3.960 0.012 0.000 0.250 79 G HA3 0.308 4.275 3.960 0.012 0.000 0.250 79 G C 0.641 175.624 174.900 0.139 0.000 1.269 79 G CA -0.248 44.961 45.100 0.181 0.000 0.919 79 G HN 2.088 nan 8.290 nan 0.000 0.574 80 G N -2.681 106.247 108.800 0.213 0.000 2.339 80 G HA2 0.578 4.545 3.960 0.012 0.000 0.381 80 G HA3 0.578 4.545 3.960 0.012 0.000 0.381 80 G C -1.552 173.461 174.900 0.188 0.000 1.400 80 G CA 0.616 45.846 45.100 0.216 0.000 1.002 80 G HN 1.161 nan 8.290 nan 0.000 0.633 81 P HA 0.091 nan 4.420 nan 0.000 0.233 81 P C 0.126 177.153 177.300 -0.455 0.000 1.167 81 P CA 1.142 64.026 63.100 -0.361 0.000 0.770 81 P CB 0.021 31.316 31.700 -0.675 0.000 0.837 82 Y N -0.448 119.904 120.300 0.086 0.000 2.713 82 Y HA 0.482 5.038 4.550 0.010 0.000 0.269 82 Y C 1.532 177.142 175.900 -0.485 0.000 1.106 82 Y CA -0.884 57.151 58.100 -0.109 0.000 1.174 82 Y CB 0.056 38.504 38.460 -0.020 0.000 1.186 82 Y HN -0.134 nan 8.280 nan 0.000 0.555 83 G N 1.079 109.637 108.800 -0.404 0.000 2.543 83 G HA2 0.421 4.388 3.960 0.012 0.000 0.290 83 G HA3 0.421 4.388 3.960 0.012 0.000 0.290 83 G C -2.091 172.615 174.900 -0.323 0.000 1.310 83 G CA -1.180 43.535 45.100 -0.641 0.000 1.025 83 G HN -0.041 nan 8.290 nan 0.000 0.502 84 P HA 0.121 nan 4.420 nan 0.000 0.271 84 P C -0.947 176.165 177.300 -0.313 0.000 1.233 84 P CA -0.041 62.955 63.100 -0.173 0.000 0.789 84 P CB 0.705 32.354 31.700 -0.086 0.000 0.951 85 Y N -1.152 119.136 120.300 -0.019 0.000 2.507 85 Y HA 0.244 4.801 4.550 0.012 0.000 0.254 85 Y C 1.281 177.127 175.900 -0.090 0.000 1.171 85 Y CA -0.064 58.013 58.100 -0.039 0.000 1.238 85 Y CB 0.437 38.885 38.460 -0.021 0.000 1.148 85 Y HN 0.047 nan 8.280 nan 0.000 0.525 86 R N 0.681 121.181 120.500 0.001 0.000 2.393 86 R HA 0.208 4.555 4.340 0.012 0.000 0.310 86 R C 0.690 176.967 176.300 -0.039 0.000 0.968 86 R CA -0.320 55.749 56.100 -0.051 0.000 0.867 86 R CB 1.170 31.401 30.300 -0.114 0.000 1.124 86 R HN 0.351 nan 8.270 nan 0.000 0.450 87 Q N 0.597 120.398 119.800 0.000 0.000 2.224 87 Q HA -0.127 4.220 4.340 0.012 0.000 0.203 87 Q C 1.599 177.653 176.000 0.090 0.000 0.970 87 Q CA 1.778 57.638 55.803 0.096 0.000 0.865 87 Q CB 0.154 28.965 28.738 0.122 0.000 0.922 87 Q HN 0.687 nan 8.270 nan 0.000 0.445 88 S N 0.323 116.029 115.700 0.010 0.000 2.500 88 S HA -0.113 4.364 4.470 0.012 0.000 0.239 88 S C 1.530 176.112 174.600 -0.031 0.000 0.989 88 S CA 0.721 58.916 58.200 -0.009 0.000 0.951 88 S CB 0.057 63.227 63.200 -0.051 0.000 0.759 88 S HN 0.279 nan 8.310 nan 0.000 0.523 89 Q N 0.307 120.073 119.800 -0.056 0.000 2.247 89 Q HA 0.259 4.606 4.340 0.012 0.000 0.211 89 Q C 0.810 176.728 176.000 -0.137 0.000 0.861 89 Q CA 0.115 55.867 55.803 -0.086 0.000 0.949 89 Q CB 0.308 28.994 28.738 -0.086 0.000 1.115 89 Q HN 0.640 nan 8.270 nan 0.000 0.507 90 R N -0.129 120.253 120.500 -0.196 0.000 2.552 90 R HA 0.355 4.702 4.340 0.012 0.000 0.314 90 R C 1.559 177.511 176.300 -0.580 0.000 1.041 90 R CA 0.285 56.121 56.100 -0.439 0.000 1.076 90 R CB 0.306 30.212 30.300 -0.657 0.000 1.290 90 R HN 0.048 nan 8.270 nan 0.000 0.563 91 A N 1.690 124.388 122.820 -0.204 0.000 1.927 91 A HA -0.284 4.043 4.320 0.012 0.000 0.220 91 A C 2.042 179.570 177.584 -0.094 0.000 1.185 91 A CA 1.892 53.906 52.037 -0.039 0.000 0.639 91 A CB -0.244 18.759 19.000 0.005 0.000 0.820 91 A HN 0.460 nan 8.150 nan 0.000 0.451 92 E N -0.426 119.690 120.200 -0.139 0.000 2.208 92 E HA -0.095 4.262 4.350 0.012 0.000 0.193 92 E C 1.790 178.308 176.600 -0.136 0.000 0.988 92 E CA 0.853 57.189 56.400 -0.107 0.000 0.828 92 E CB -0.212 29.434 29.700 -0.091 0.000 0.763 92 E HN 0.696 nan 8.360 nan 0.000 0.478 93 I N 0.211 120.628 120.570 -0.256 0.000 2.202 93 I HA -0.260 3.917 4.170 0.012 0.000 0.242 93 I C 1.736 177.751 176.117 -0.168 0.000 1.091 93 I CA 0.936 62.077 61.300 -0.265 0.000 1.368 93 I CB -0.324 37.425 38.000 -0.420 0.000 1.058 93 I HN 0.198 nan 8.210 nan 0.000 0.410 94 Y N 0.965 121.225 120.300 -0.066 0.000 2.242 94 Y HA -0.122 4.434 4.550 0.010 0.000 0.291 94 Y C 2.681 178.542 175.900 -0.066 0.000 1.137 94 Y CA 0.719 58.775 58.100 -0.072 0.000 1.181 94 Y CB -0.742 37.673 38.460 -0.075 0.000 0.989 94 Y HN 0.037 nan 8.280 nan 0.000 0.527 95 R N 0.203 120.749 120.500 0.077 0.000 2.081 95 R HA -0.176 4.171 4.340 0.012 0.000 0.235 95 R C 1.824 178.126 176.300 0.003 0.000 1.131 95 R CA 1.597 57.714 56.100 0.028 0.000 0.960 95 R CB -0.943 29.363 30.300 0.011 0.000 0.856 95 R HN 0.396 nan 8.270 nan 0.000 0.436 96 D N 0.405 120.798 120.400 -0.012 0.000 2.104 96 D HA -0.120 4.527 4.640 0.012 0.000 0.194 96 D C 1.865 178.155 176.300 -0.016 0.000 0.994 96 D CA 1.044 55.033 54.000 -0.019 0.000 0.830 96 D CB 0.144 40.925 40.800 -0.033 0.000 0.959 96 D HN -0.059 nan 8.370 nan 0.000 0.452 97 V N 0.279 120.189 119.914 -0.007 0.000 2.358 97 V HA -0.185 3.943 4.120 0.012 0.000 0.246 97 V C 2.629 178.704 176.094 -0.033 0.000 1.047 97 V CA 1.184 63.476 62.300 -0.013 0.000 1.035 97 V CB -0.440 31.388 31.823 0.008 0.000 0.658 97 V HN 0.306 nan 8.190 nan 0.000 0.452 98 L N -0.011 121.194 121.223 -0.031 0.000 2.017 98 L HA -0.163 4.184 4.340 0.012 0.000 0.208 98 L C 2.767 179.593 176.870 -0.073 0.000 1.073 98 L CA 1.645 56.444 54.840 -0.068 0.000 0.745 98 L CB -0.826 41.197 42.059 -0.060 0.000 0.894 98 L HN 0.351 nan 8.230 nan 0.000 0.432 99 A N 0.205 123.000 122.820 -0.041 0.000 1.892 99 A HA -0.263 4.064 4.320 0.012 0.000 0.218 99 A C 2.365 179.927 177.584 -0.036 0.000 1.188 99 A CA 1.961 53.979 52.037 -0.031 0.000 0.631 99 A CB -0.560 18.433 19.000 -0.011 0.000 0.822 99 A HN 0.358 nan 8.150 nan 0.000 0.447 100 R N -0.771 119.709 120.500 -0.034 0.000 2.075 100 R HA 0.020 4.367 4.340 0.012 0.000 0.232 100 R C 2.106 178.381 176.300 -0.042 0.000 1.126 100 R CA 1.320 57.401 56.100 -0.031 0.000 0.963 100 R CB -0.483 29.802 30.300 -0.025 0.000 0.858 100 R HN 0.510 nan 8.270 nan 0.000 0.435 101 L N 0.549 121.735 121.223 -0.061 0.000 2.046 101 L HA -0.194 4.153 4.340 0.012 0.000 0.208 101 L C 2.342 179.160 176.870 -0.087 0.000 1.077 101 L CA 1.209 56.002 54.840 -0.078 0.000 0.747 101 L CB -0.353 41.639 42.059 -0.111 0.000 0.896 101 L HN 0.210 nan 8.230 nan 0.000 0.432 102 L N -0.646 120.513 121.223 -0.107 0.000 2.093 102 L HA -0.168 4.179 4.340 0.012 0.000 0.208 102 L C 2.648 179.486 176.870 -0.055 0.000 1.085 102 L CA 1.099 55.865 54.840 -0.122 0.000 0.755 102 L CB -0.478 41.473 42.059 -0.180 0.000 0.904 102 L HN 0.239 nan 8.230 nan 0.000 0.435 103 A N -0.765 122.034 122.820 -0.035 0.000 2.123 103 A HA 0.141 4.468 4.320 0.012 0.000 0.214 103 A C 2.261 179.840 177.584 -0.008 0.000 1.152 103 A CA 1.025 53.055 52.037 -0.012 0.000 0.728 103 A CB -0.313 18.683 19.000 -0.006 0.000 0.814 103 A HN 0.347 nan 8.150 nan 0.000 0.464 104 A N -1.629 121.182 122.820 -0.015 0.000 2.178 104 A HA 0.416 4.743 4.320 0.012 0.000 0.211 104 A C 1.811 179.392 177.584 -0.004 0.000 1.157 104 A CA 1.154 53.186 52.037 -0.009 0.000 0.780 104 A CB -0.733 18.260 19.000 -0.012 0.000 0.828 104 A HN 1.728 nan 8.150 nan 0.000 0.476 105 G N -0.482 108.314 108.800 -0.006 0.000 2.148 105 G HA2 -0.279 3.688 3.960 0.012 0.000 0.254 105 G HA3 -0.279 3.688 3.960 0.012 0.000 0.254 105 G C 0.658 175.567 174.900 0.014 0.000 0.981 105 G CA 0.670 45.776 45.100 0.009 0.000 0.670 105 G HN 0.437 nan 8.290 nan 0.000 0.528 106 E N -0.214 119.979 120.200 -0.012 0.000 2.150 106 E HA 0.244 4.601 4.350 0.012 0.000 0.193 106 E C 1.521 178.086 176.600 -0.059 0.000 0.985 106 E CA 1.372 57.756 56.400 -0.027 0.000 0.814 106 E CB 0.037 29.711 29.700 -0.043 0.000 0.752 106 E HN 1.144 nan 8.360 nan 0.000 0.466 107 A N 0.160 122.929 122.820 -0.086 0.000 2.469 107 A HA 0.632 4.959 4.320 0.012 0.000 0.299 107 A C -1.231 176.288 177.584 -0.110 0.000 1.098 107 A CA -0.779 51.140 52.037 -0.197 0.000 0.737 107 A CB 1.084 19.916 19.000 -0.279 0.000 1.312 107 A HN 0.145 nan 8.150 nan 0.000 0.414 108 Y N -1.779 118.379 120.300 -0.237 0.000 2.597 108 Y HA 0.716 5.272 4.550 0.010 0.000 0.340 108 Y C -0.587 175.152 175.900 -0.269 0.000 1.097 108 Y CA -1.089 56.876 58.100 -0.225 0.000 1.037 108 Y CB 0.507 38.895 38.460 -0.120 0.000 1.305 108 Y HN 0.717 nan 8.280 nan 0.000 0.463 109 H N 1.203 120.313 119.070 0.068 0.000 2.722 109 H HA 0.687 5.251 4.556 0.014 0.000 0.328 109 H C -0.640 174.637 175.328 -0.085 0.000 1.067 109 H CA 0.272 56.232 56.048 -0.147 0.000 1.447 109 H CB 1.122 30.780 29.762 -0.173 0.000 1.469 109 H HN 0.881 nan 8.280 nan 0.000 0.544 110 A N 3.352 126.038 122.820 -0.223 0.000 2.343 110 A HA 0.434 4.761 4.320 0.012 0.000 0.316 110 A C -0.770 176.591 177.584 -0.371 0.000 1.104 110 A CA -0.630 51.342 52.037 -0.108 0.000 0.768 110 A CB 0.433 19.353 19.000 -0.133 0.000 1.213 110 A HN 0.734 nan 8.150 nan 0.000 0.456 111 F N 0.948 120.826 119.950 -0.120 0.000 2.706 111 F HA 0.168 4.702 4.527 0.012 0.000 0.313 111 F C 1.156 176.829 175.800 -0.211 0.000 1.096 111 F CA 0.040 57.869 58.000 -0.284 0.000 1.219 111 F CB 0.539 39.086 39.000 -0.755 0.000 1.051 111 F HN 0.411 nan 8.300 nan 0.000 0.568 112 S N 0.749 116.513 115.700 0.106 0.000 2.572 112 S HA 0.249 4.726 4.470 0.012 0.000 0.279 112 S C 0.607 175.250 174.600 0.072 0.000 1.341 112 S CA -0.340 57.946 58.200 0.143 0.000 1.043 112 S CB 0.573 63.955 63.200 0.303 0.000 0.887 112 S HN 0.337 nan 8.310 nan 0.000 0.516 113 T N 0.001 114.592 114.554 0.062 0.000 2.922 113 T HA 0.361 4.718 4.350 0.012 0.000 0.285 113 T C -2.240 172.493 174.700 0.055 0.000 1.005 113 T CA -2.059 60.068 62.100 0.044 0.000 1.061 113 T CB 0.906 69.797 68.868 0.037 0.000 1.007 113 T HN 0.174 nan 8.240 nan 0.000 0.502 114 P HA -0.060 nan 4.420 nan 0.000 0.219 114 P C 0.985 178.315 177.300 0.050 0.000 1.146 114 P CA 0.942 64.080 63.100 0.062 0.000 0.808 114 P CB 0.088 31.817 31.700 0.048 0.000 0.779 115 E N -0.390 119.830 120.200 0.034 0.000 2.158 115 E HA -0.116 4.241 4.350 0.012 0.000 0.191 115 E C 1.883 178.485 176.600 0.004 0.000 0.982 115 E CA 0.895 57.309 56.400 0.022 0.000 0.823 115 E CB -0.603 29.108 29.700 0.019 0.000 0.766 115 E HN 0.394 nan 8.360 nan 0.000 0.468 116 E N -0.021 120.177 120.200 -0.004 0.000 2.152 116 E HA -0.100 4.257 4.350 0.012 0.000 0.192 116 E C 1.913 178.449 176.600 -0.107 0.000 0.983 116 E CA 0.682 57.052 56.400 -0.051 0.000 0.818 116 E CB 0.142 29.819 29.700 -0.040 0.000 0.758 116 E HN 0.045 nan 8.360 nan 0.000 0.467 117 V N 1.310 121.191 119.914 -0.055 0.000 2.270 117 V HA -0.257 3.870 4.120 0.012 0.000 0.245 117 V C 2.090 178.102 176.094 -0.138 0.000 1.043 117 V CA 1.837 64.070 62.300 -0.111 0.000 1.014 117 V CB -0.360 31.492 31.823 0.048 0.000 0.645 117 V HN 0.229 nan 8.190 nan 0.000 0.447 118 E N -0.099 120.109 120.200 0.014 0.000 2.085 118 E HA -0.230 4.127 4.350 0.012 0.000 0.194 118 E C 2.274 178.891 176.600 0.029 0.000 0.994 118 E CA 1.369 57.820 56.400 0.085 0.000 0.801 118 E CB -0.288 29.460 29.700 0.081 0.000 0.743 118 E HN 0.599 nan 8.360 nan 0.000 0.453 119 A N 1.060 123.865 122.820 -0.026 0.000 1.930 119 A HA -0.155 4.172 4.320 0.012 0.000 0.217 119 A C 2.001 179.544 177.584 -0.067 0.000 1.175 119 A CA 1.008 53.024 52.037 -0.036 0.000 0.627 119 A CB -0.270 18.703 19.000 -0.044 0.000 0.815 119 A HN 0.081 nan 8.150 nan 0.000 0.443 120 R N -1.274 119.136 120.500 -0.149 0.000 2.092 120 R HA -0.106 4.241 4.340 0.012 0.000 0.231 120 R C 2.090 178.309 176.300 -0.136 0.000 1.119 120 R CA 1.352 57.334 56.100 -0.196 0.000 0.970 120 R CB -0.494 29.608 30.300 -0.329 0.000 0.864 120 R HN 0.622 nan 8.270 nan 0.000 0.440 121 H N 0.218 119.266 119.070 -0.037 0.000 2.290 121 H HA -0.089 4.474 4.556 0.012 0.000 0.298 121 H C 2.318 177.638 175.328 -0.014 0.000 1.087 121 H CA 1.512 57.550 56.048 -0.018 0.000 1.291 121 H CB -0.443 29.315 29.762 -0.008 0.000 1.369 121 H HN -0.036 nan 8.280 nan 0.000 0.492 122 V N 1.229 121.209 119.914 0.111 0.000 2.324 122 V HA -0.279 3.848 4.120 0.012 0.000 0.250 122 V C 2.795 178.907 176.094 0.030 0.000 1.060 122 V CA 1.776 64.109 62.300 0.055 0.000 1.042 122 V CB -1.116 30.728 31.823 0.036 0.000 0.650 122 V HN 0.491 nan 8.190 nan 0.000 0.450 123 A N -0.382 122.444 122.820 0.011 0.000 2.015 123 A HA 0.064 4.391 4.320 0.012 0.000 0.219 123 A C 2.177 179.766 177.584 0.009 0.000 1.163 123 A CA 1.687 53.724 52.037 0.000 0.000 0.646 123 A CB -0.461 18.527 19.000 -0.020 0.000 0.806 123 A HN 0.609 nan 8.150 nan 0.000 0.448 124 A N -1.597 121.236 122.820 0.021 0.000 2.275 124 A HA 0.441 4.768 4.320 0.012 0.000 0.212 124 A C 1.589 179.198 177.584 0.041 0.000 1.201 124 A CA 0.964 53.020 52.037 0.032 0.000 0.843 124 A CB -0.902 18.123 19.000 0.042 0.000 0.873 124 A HN 1.820 nan 8.150 nan 0.000 0.492 125 G N 0.094 108.919 108.800 0.041 0.000 2.273 125 G HA2 -0.261 3.706 3.960 0.012 0.000 0.280 125 G HA3 -0.261 3.706 3.960 0.012 0.000 0.280 125 G C 0.094 175.016 174.900 0.036 0.000 1.047 125 G CA 0.422 45.541 45.100 0.033 0.000 0.869 125 G HN 0.661 nan 8.290 nan 0.000 0.502 126 R N -0.580 119.957 120.500 0.061 0.000 2.668 126 R HA 0.354 4.701 4.340 0.012 0.000 0.279 126 R C 0.265 176.547 176.300 -0.030 0.000 0.976 126 R CA -1.090 55.029 56.100 0.032 0.000 0.978 126 R CB 0.591 30.957 30.300 0.111 0.000 1.133 126 R HN 0.159 nan 8.270 nan 0.000 0.484 127 N N 3.842 122.485 118.700 -0.096 0.000 2.386 127 N HA -0.042 4.705 4.740 0.012 0.000 0.273 127 N C -1.674 173.712 175.510 -0.206 0.000 1.331 127 N CA -1.104 51.876 53.050 -0.117 0.000 0.891 127 N CB 0.698 39.121 38.487 -0.107 0.000 1.139 127 N HN 0.359 nan 8.380 nan 0.000 0.487 128 P HA -0.010 nan 4.420 nan 0.000 0.245 128 P C 0.130 177.422 177.300 -0.013 0.000 1.212 128 P CA 0.731 63.830 63.100 -0.001 0.000 0.774 128 P CB 0.271 32.004 31.700 0.054 0.000 0.999 129 K N -0.569 119.795 120.400 -0.060 0.000 2.459 129 K HA 0.142 4.469 4.320 0.012 0.000 0.193 129 K C 1.125 177.683 176.600 -0.071 0.000 1.030 129 K CA -0.036 56.228 56.287 -0.038 0.000 1.026 129 K CB -0.057 32.427 32.500 -0.027 0.000 0.809 129 K HN 0.246 nan 8.250 nan 0.000 0.504 130 L N 0.212 121.310 121.223 -0.209 0.000 2.476 130 L HA 0.065 4.412 4.340 0.012 0.000 0.255 130 L C 1.318 178.172 176.870 -0.027 0.000 1.218 130 L CA -0.326 54.384 54.840 -0.217 0.000 0.819 130 L CB 0.250 42.024 42.059 -0.474 0.000 1.119 130 L HN 0.114 nan 8.230 nan 0.000 0.485 131 G N -1.358 107.495 108.800 0.088 0.000 2.630 131 G HA2 0.112 4.079 3.960 0.012 0.000 0.223 131 G HA3 0.112 4.079 3.960 0.012 0.000 0.223 131 G C -1.132 173.965 174.900 0.329 0.000 1.434 131 G CA -0.331 44.890 45.100 0.202 0.000 1.057 131 G HN 0.430 nan 8.290 nan 0.000 0.570 132 Y N 1.096 121.492 120.300 0.160 0.000 2.578 132 Y HA 0.154 4.710 4.550 0.011 0.000 0.339 132 Y C 1.014 177.011 175.900 0.161 0.000 1.231 132 Y CA 0.344 58.527 58.100 0.139 0.000 1.461 132 Y CB 1.028 39.549 38.460 0.103 0.000 1.323 132 Y HN 0.469 nan 8.280 nan 0.000 0.590 133 D N 1.766 121.747 120.400 -0.697 0.000 2.479 133 D HA 0.053 4.700 4.640 0.012 0.000 0.218 133 D C -0.227 175.815 176.300 -0.429 0.000 1.177 133 D CA 0.024 53.798 54.000 -0.376 0.000 0.830 133 D CB -0.411 40.207 40.800 -0.304 0.000 1.014 133 D HN 0.611 nan 8.370 nan 0.000 0.503 134 N N -0.261 117.916 118.700 -0.872 0.000 2.741 134 N HA -0.252 4.495 4.740 0.012 0.000 0.251 134 N C 0.361 175.784 175.510 -0.144 0.000 1.112 134 N CA 0.656 53.538 53.050 -0.280 0.000 0.750 134 N CB -2.109 36.362 38.487 -0.027 0.000 1.119 134 N HN 0.318 nan 8.380 nan 0.000 0.561 135 F N 1.594 121.352 119.950 -0.320 0.000 2.091 135 F HA -0.145 4.390 4.527 0.013 0.000 0.299 135 F C 1.679 177.480 175.800 0.003 0.000 1.103 135 F CA 1.797 59.760 58.000 -0.061 0.000 1.228 135 F CB -0.009 38.972 39.000 -0.031 0.000 0.984 135 F HN 0.107 nan 8.300 nan 0.000 0.477 136 D N -0.102 120.342 120.400 0.074 0.000 2.378 136 D HA -0.075 4.572 4.640 0.012 0.000 0.227 136 D C 2.099 178.115 176.300 -0.473 0.000 1.012 136 D CA 0.233 54.206 54.000 -0.044 0.000 0.905 136 D CB -0.185 40.830 40.800 0.359 0.000 0.895 136 D HN 0.429 nan 8.370 nan 0.000 0.532 137 R N -0.036 119.939 120.500 -0.875 0.000 2.120 137 R HA -0.102 4.245 4.340 0.012 0.000 0.234 137 R C 0.810 176.618 176.300 -0.819 0.000 1.123 137 R CA 1.009 56.344 56.100 -1.274 0.000 0.975 137 R CB -0.050 29.437 30.300 -1.354 0.000 0.866 137 R HN 0.413 nan 8.270 nan 0.000 0.446 138 H N -1.131 117.728 119.070 -0.351 0.000 2.486 138 H HA 0.154 4.717 4.556 0.012 0.000 0.284 138 H C -0.710 174.473 175.328 -0.240 0.000 1.103 138 H CA -0.841 55.052 56.048 -0.259 0.000 1.089 138 H CB 0.485 30.104 29.762 -0.238 0.000 1.603 138 H HN -0.113 nan 8.280 nan 0.000 0.557 139 L N 2.566 123.694 121.223 -0.159 0.000 2.453 139 L HA 0.045 4.392 4.340 0.012 0.000 0.272 139 L C 1.149 177.995 176.870 -0.039 0.000 1.182 139 L CA 0.127 54.916 54.840 -0.084 0.000 0.858 139 L CB 0.562 42.639 42.059 0.030 0.000 1.120 139 L HN 0.339 nan 8.230 nan 0.000 0.474 140 T N -1.191 113.340 114.554 -0.039 0.000 2.868 140 T HA 0.130 4.487 4.350 0.012 0.000 0.292 140 T C 0.907 175.595 174.700 -0.020 0.000 1.028 140 T CA -0.652 61.430 62.100 -0.030 0.000 1.059 140 T CB 0.598 69.443 68.868 -0.039 0.000 0.991 140 T HN 0.541 nan 8.240 nan 0.000 0.531 141 D N 1.560 121.953 120.400 -0.011 0.000 2.116 141 D HA -0.114 4.533 4.640 0.012 0.000 0.193 141 D C 2.332 178.617 176.300 -0.025 0.000 0.998 141 D CA 2.001 55.999 54.000 -0.002 0.000 0.836 141 D CB -0.808 39.992 40.800 0.001 0.000 0.951 141 D HN 0.779 nan 8.370 nan 0.000 0.449 142 A N 0.388 123.182 122.820 -0.043 0.000 1.902 142 A HA -0.249 4.078 4.320 0.012 0.000 0.217 142 A C 2.110 179.622 177.584 -0.121 0.000 1.181 142 A CA 1.662 53.658 52.037 -0.069 0.000 0.623 142 A CB -0.615 18.347 19.000 -0.063 0.000 0.818 142 A HN 0.257 nan 8.150 nan 0.000 0.443 143 Q N -1.192 118.526 119.800 -0.137 0.000 2.123 143 Q HA -0.110 4.237 4.340 0.012 0.000 0.199 143 Q C 2.352 178.160 176.000 -0.320 0.000 0.966 143 Q CA 1.345 56.991 55.803 -0.262 0.000 0.845 143 Q CB -0.148 28.471 28.738 -0.199 0.000 0.907 143 Q HN 0.699 nan 8.270 nan 0.000 0.439 144 R N 0.595 121.027 120.500 -0.112 0.000 2.070 144 R HA -0.138 4.210 4.340 0.012 0.000 0.233 144 R C 2.190 178.414 176.300 -0.126 0.000 1.137 144 R CA 1.347 57.412 56.100 -0.057 0.000 0.945 144 R CB -0.307 30.049 30.300 0.093 0.000 0.845 144 R HN 0.237 nan 8.270 nan 0.000 0.430 145 A N 0.683 123.456 122.820 -0.079 0.000 1.940 145 A HA -0.141 4.186 4.320 0.012 0.000 0.219 145 A C 2.333 179.850 177.584 -0.111 0.000 1.176 145 A CA 1.831 53.829 52.037 -0.065 0.000 0.631 145 A CB -0.766 18.208 19.000 -0.044 0.000 0.814 145 A HN 0.574 nan 8.150 nan 0.000 0.446 146 A N -1.709 121.001 122.820 -0.184 0.000 1.969 146 A HA 0.015 4.342 4.320 0.012 0.000 0.218 146 A C 2.038 179.479 177.584 -0.237 0.000 1.169 146 A CA 1.389 53.296 52.037 -0.216 0.000 0.635 146 A CB -0.678 18.154 19.000 -0.280 0.000 0.810 146 A HN 0.549 nan 8.150 nan 0.000 0.445 147 Y N 0.113 120.221 120.300 -0.319 0.000 2.200 147 Y HA -0.082 4.475 4.550 0.012 0.000 0.290 147 Y C 2.187 177.930 175.900 -0.261 0.000 1.137 147 Y CA 1.159 59.006 58.100 -0.422 0.000 1.163 147 Y CB -0.517 37.290 38.460 -1.089 0.000 0.988 147 Y HN 0.177 nan 8.280 nan 0.000 0.518 148 L N -1.019 120.159 121.223 -0.076 0.000 2.027 148 L HA -0.204 4.143 4.340 0.012 0.000 0.206 148 L C 2.597 179.481 176.870 0.024 0.000 1.074 148 L CA 1.162 56.029 54.840 0.044 0.000 0.745 148 L CB -0.905 41.186 42.059 0.053 0.000 0.898 148 L HN 0.180 nan 8.230 nan 0.000 0.433 149 A N -0.043 122.768 122.820 -0.015 0.000 2.131 149 A HA -0.177 4.150 4.320 0.012 0.000 0.220 149 A C 1.856 179.438 177.584 -0.002 0.000 1.158 149 A CA 1.348 53.377 52.037 -0.014 0.000 0.665 149 A CB -0.412 18.568 19.000 -0.034 0.000 0.795 149 A HN 0.566 nan 8.150 nan 0.000 0.460 150 E N -1.186 119.020 120.200 0.009 0.000 2.479 150 E HA 0.297 4.654 4.350 0.012 0.000 0.193 150 E C 0.970 177.600 176.600 0.051 0.000 1.049 150 E CA 0.214 56.631 56.400 0.029 0.000 0.870 150 E CB -0.110 29.617 29.700 0.045 0.000 0.944 150 E HN 0.693 nan 8.360 nan 0.000 0.492 151 G N 2.758 111.592 108.800 0.057 0.000 2.147 151 G HA2 -0.285 3.682 3.960 0.012 0.000 0.244 151 G HA3 -0.285 3.682 3.960 0.012 0.000 0.244 151 G C 0.075 175.033 174.900 0.098 0.000 1.005 151 G CA -0.233 44.906 45.100 0.065 0.000 0.713 151 G HN 0.091 nan 8.290 nan 0.000 0.515 152 R N 0.015 120.608 120.500 0.154 0.000 2.491 152 R HA 0.290 4.637 4.340 0.012 0.000 0.283 152 R C -0.070 176.372 176.300 0.237 0.000 1.072 152 R CA -0.066 56.169 56.100 0.226 0.000 1.048 152 R CB 0.573 31.082 30.300 0.349 0.000 0.983 152 R HN 0.274 nan 8.270 nan 0.000 0.450 153 Q N 3.757 123.624 119.800 0.112 0.000 2.331 153 Q HA 0.335 4.683 4.340 0.012 0.000 0.257 153 Q C -1.950 173.963 176.000 -0.144 0.000 0.957 153 Q CA -1.964 53.839 55.803 0.000 0.000 0.923 153 Q CB 1.368 30.093 28.738 -0.023 0.000 1.212 153 Q HN 0.392 nan 8.270 nan 0.000 0.443 154 P HA 0.269 nan 4.420 nan 0.000 0.278 154 P C -0.344 176.750 177.300 -0.344 0.000 1.266 154 P CA -0.534 62.150 63.100 -0.693 0.000 0.807 154 P CB 0.907 31.831 31.700 -1.293 0.000 1.094 155 V N -1.940 117.778 119.914 -0.326 0.000 2.834 155 V HA 0.514 4.641 4.120 0.012 0.000 0.313 155 V C -0.129 175.817 176.094 -0.246 0.000 1.060 155 V CA -0.911 61.247 62.300 -0.237 0.000 0.989 155 V CB 1.422 33.100 31.823 -0.242 0.000 1.041 155 V HN 0.230 nan 8.190 nan 0.000 0.459 156 V N 3.807 123.573 119.914 -0.247 0.000 2.432 156 V HA 0.519 4.646 4.120 0.012 0.000 0.275 156 V C 0.443 176.258 176.094 -0.465 0.000 1.043 156 V CA -0.383 61.698 62.300 -0.365 0.000 0.925 156 V CB 0.673 32.303 31.823 -0.322 0.000 0.985 156 V HN 0.943 nan 8.190 nan 0.000 0.466 157 R N 3.285 123.371 120.500 -0.691 0.000 2.664 157 R HA 0.620 4.967 4.340 0.012 0.000 0.286 157 R C -0.996 174.785 176.300 -0.864 0.000 0.967 157 R CA -1.039 54.580 56.100 -0.803 0.000 0.933 157 R CB 2.080 31.834 30.300 -0.910 0.000 1.146 157 R HN 0.523 nan 8.270 nan 0.000 0.468 158 L N 1.920 122.630 121.223 -0.854 0.000 2.326 158 L HA 0.268 4.615 4.340 0.012 0.000 0.278 158 L C 0.159 176.776 176.870 -0.421 0.000 1.092 158 L CA 0.008 54.435 54.840 -0.688 0.000 0.810 158 L CB 0.790 42.288 42.059 -0.935 0.000 1.153 158 L HN 0.439 nan 8.230 nan 0.000 0.439 159 R N 5.587 126.003 120.500 -0.139 0.000 2.248 159 R HA 0.234 4.581 4.340 0.012 0.000 0.337 159 R C -0.625 175.695 176.300 0.033 0.000 1.085 159 R CA -0.652 55.497 56.100 0.082 0.000 0.934 159 R CB 0.306 30.700 30.300 0.157 0.000 1.034 159 R HN 0.603 nan 8.270 nan 0.000 0.465 160 M N 6.239 125.879 119.600 0.067 0.000 2.248 160 M HA 0.136 4.623 4.480 0.012 0.000 0.345 160 M C -1.672 174.680 176.300 0.087 0.000 1.243 160 M CA -1.942 53.415 55.300 0.095 0.000 1.090 160 M CB 0.169 32.852 32.600 0.137 0.000 1.683 160 M HN 0.477 nan 8.290 nan 0.000 0.450 161 P HA 0.066 nan 4.420 nan 0.000 0.271 161 P C -0.138 177.210 177.300 0.080 0.000 1.244 161 P CA -0.137 63.008 63.100 0.075 0.000 0.793 161 P CB 0.814 32.559 31.700 0.075 0.000 0.984 162 D N -1.040 119.402 120.400 0.070 0.000 2.349 162 D HA -0.012 4.635 4.640 0.012 0.000 0.215 162 D C 0.531 176.874 176.300 0.071 0.000 1.016 162 D CA 0.737 54.779 54.000 0.069 0.000 0.870 162 D CB 0.155 40.989 40.800 0.058 0.000 0.917 162 D HN 0.490 nan 8.370 nan 0.000 0.524 163 D N -0.013 120.432 120.400 0.075 0.000 2.478 163 D HA 0.107 4.754 4.640 0.012 0.000 0.263 163 D C 0.093 176.449 176.300 0.094 0.000 1.153 163 D CA -0.535 53.510 54.000 0.076 0.000 1.038 163 D CB 0.743 41.585 40.800 0.069 0.000 1.120 163 D HN -0.268 nan 8.370 nan 0.000 0.564 164 D N -0.434 120.023 120.400 0.094 0.000 2.382 164 D HA 0.226 4.873 4.640 0.012 0.000 0.240 164 D C -0.209 176.182 176.300 0.151 0.000 1.146 164 D CA 0.069 54.141 54.000 0.119 0.000 0.897 164 D CB 0.634 41.491 40.800 0.094 0.000 1.197 164 D HN 0.219 nan 8.370 nan 0.000 0.432 165 L N 1.296 122.646 121.223 0.212 0.000 2.301 165 L HA 0.621 4.968 4.340 0.012 0.000 0.278 165 L C -0.024 177.076 176.870 0.384 0.000 1.022 165 L CA -0.439 54.550 54.840 0.249 0.000 0.854 165 L CB 1.042 43.220 42.059 0.199 0.000 1.226 165 L HN 0.325 nan 8.230 nan 0.000 0.429 166 A N 3.260 126.291 122.820 0.351 0.000 2.572 166 A HA 0.900 5.228 4.320 0.012 0.000 0.295 166 A C -1.872 175.979 177.584 0.445 0.000 1.072 166 A CA -0.509 51.734 52.037 0.344 0.000 0.691 166 A CB 1.422 20.508 19.000 0.142 0.000 1.291 166 A HN 0.764 nan 8.150 nan 0.000 0.404 167 W N 0.879 122.228 121.300 0.082 0.000 3.066 167 W HA 0.675 5.342 4.660 0.013 0.000 0.330 167 W C -1.463 175.111 176.519 0.091 0.000 1.253 167 W CA -0.673 56.727 57.345 0.093 0.000 1.187 167 W CB 1.115 30.647 29.460 0.121 0.000 1.434 167 W HN 0.578 nan 8.180 nan 0.000 0.572 168 N N 2.288 121.057 118.700 0.115 0.000 2.527 168 N HA 0.113 4.861 4.740 0.012 0.000 0.236 168 N C -0.965 174.628 175.510 0.138 0.000 0.999 168 N CA -0.167 52.877 53.050 -0.009 0.000 0.935 168 N CB 0.550 39.076 38.487 0.065 0.000 1.132 168 N HN 0.579 nan 8.380 nan 0.000 0.511 169 D N 3.455 123.848 120.400 -0.012 0.000 2.389 169 D HA 0.032 4.679 4.640 0.012 0.000 0.247 169 D C 1.315 177.752 176.300 0.229 0.000 1.128 169 D CA -0.182 54.011 54.000 0.323 0.000 0.884 169 D CB 1.157 42.153 40.800 0.326 0.000 1.194 169 D HN 0.538 nan 8.370 nan 0.000 0.441 170 L N 3.153 124.538 121.223 0.269 0.000 2.275 170 L HA -0.129 4.218 4.340 0.012 0.000 0.215 170 L C 1.911 178.854 176.870 0.122 0.000 1.119 170 L CA 0.461 55.400 54.840 0.164 0.000 0.790 170 L CB -0.035 42.110 42.059 0.143 0.000 0.919 170 L HN 0.355 nan 8.230 nan 0.000 0.443 171 V N -1.716 118.294 119.914 0.160 0.000 3.013 171 V HA 0.073 4.200 4.120 0.012 0.000 0.238 171 V C 2.122 178.284 176.094 0.114 0.000 1.161 171 V CA 0.470 62.850 62.300 0.134 0.000 1.170 171 V CB -0.022 31.904 31.823 0.173 0.000 0.917 171 V HN 0.256 nan 8.190 nan 0.000 0.478 172 R N 0.618 121.200 120.500 0.137 0.000 2.300 172 R HA 0.351 4.698 4.340 0.012 0.000 0.199 172 R C 1.118 177.412 176.300 -0.010 0.000 0.920 172 R CA 0.741 56.884 56.100 0.072 0.000 1.046 172 R CB -0.062 30.296 30.300 0.096 0.000 0.984 172 R HN 0.557 nan 8.270 nan 0.000 0.493 173 G N 1.454 110.246 108.800 -0.012 0.000 2.693 173 G HA2 -0.248 3.720 3.960 0.012 0.000 0.226 173 G HA3 -0.248 3.720 3.960 0.012 0.000 0.226 173 G C -2.578 172.216 174.900 -0.176 0.000 1.354 173 G CA -0.986 44.075 45.100 -0.064 0.000 0.873 173 G HN 0.046 nan 8.290 nan 0.000 0.562 174 P HA 0.382 nan 4.420 nan 0.000 0.261 174 P C -0.158 176.902 177.300 -0.400 0.000 1.183 174 P CA 0.028 62.971 63.100 -0.262 0.000 0.761 174 P CB 0.864 32.469 31.700 -0.159 0.000 0.785 175 V N 3.899 123.425 119.914 -0.646 0.000 2.709 175 V HA 0.580 4.707 4.120 0.012 0.000 0.308 175 V C -0.092 175.703 176.094 -0.497 0.000 1.062 175 V CA -0.378 61.486 62.300 -0.727 0.000 0.901 175 V CB 2.529 33.614 31.823 -1.230 0.000 1.003 175 V HN 0.413 nan 8.190 nan 0.000 0.425 176 T N 4.078 118.419 114.554 -0.354 0.000 2.916 176 T HA 0.695 5.052 4.350 0.012 0.000 0.298 176 T C -1.175 173.356 174.700 -0.282 0.000 1.031 176 T CA -0.260 61.755 62.100 -0.142 0.000 0.993 176 T CB 1.212 70.014 68.868 -0.110 0.000 1.045 176 T HN 0.289 nan 8.240 nan 0.000 0.454 177 F N 1.828 121.806 119.950 0.047 0.000 2.458 177 F HA 0.698 5.232 4.527 0.012 0.000 0.336 177 F C 0.710 176.538 175.800 0.046 0.000 1.114 177 F CA -1.068 56.962 58.000 0.049 0.000 0.987 177 F CB 1.208 40.253 39.000 0.075 0.000 1.130 177 F HN 0.686 nan 8.300 nan 0.000 0.458 178 A N 2.089 124.998 122.820 0.149 0.000 2.371 178 A HA 0.635 4.962 4.320 0.012 0.000 0.257 178 A C 0.202 177.861 177.584 0.125 0.000 1.089 178 A CA -0.331 51.768 52.037 0.103 0.000 0.794 178 A CB -0.057 18.977 19.000 0.057 0.000 1.029 178 A HN 1.060 nan 8.150 nan 0.000 0.488 179 A N 0.918 123.797 122.820 0.100 0.000 2.583 179 A HA 0.411 4.739 4.320 0.012 0.000 0.249 179 A C 1.724 179.362 177.584 0.090 0.000 1.035 179 A CA 1.191 53.283 52.037 0.092 0.000 0.777 179 A CB -1.078 17.965 19.000 0.072 0.000 0.942 179 A HN 2.798 nan 8.150 nan 0.000 0.516 180 G N 1.430 110.289 108.800 0.099 0.000 2.199 180 G HA2 -0.284 3.683 3.960 0.012 0.000 0.254 180 G HA3 -0.284 3.683 3.960 0.012 0.000 0.254 180 G C 1.345 176.306 174.900 0.102 0.000 0.982 180 G CA 1.121 46.278 45.100 0.095 0.000 0.632 180 G HN 2.204 nan 8.290 nan 0.000 0.529 181 S N -1.047 114.722 115.700 0.115 0.000 2.489 181 S HA 0.413 4.890 4.470 0.012 0.000 0.228 181 S C 0.808 175.483 174.600 0.125 0.000 0.995 181 S CA 0.978 59.251 58.200 0.121 0.000 0.934 181 S CB 0.459 63.748 63.200 0.149 0.000 0.771 181 S HN 0.943 nan 8.310 nan 0.000 0.522 182 V N 3.871 123.859 119.914 0.124 0.000 2.334 182 V HA 0.441 4.568 4.120 0.012 0.000 0.281 182 V C -2.461 173.724 176.094 0.152 0.000 1.016 182 V CA -2.051 60.316 62.300 0.111 0.000 0.832 182 V CB 1.022 32.885 31.823 0.066 0.000 0.999 182 V HN 0.210 nan 8.190 nan 0.000 0.439 183 P HA 0.132 nan 4.420 nan 0.000 0.269 183 P C -0.539 176.930 177.300 0.280 0.000 1.215 183 P CA -0.367 62.867 63.100 0.224 0.000 0.780 183 P CB 0.397 32.249 31.700 0.253 0.000 0.898 184 D N 1.814 122.387 120.400 0.288 0.000 2.520 184 D HA 0.052 4.699 4.640 0.012 0.000 0.243 184 D C -0.027 176.352 176.300 0.131 0.000 1.160 184 D CA 0.674 54.785 54.000 0.185 0.000 0.877 184 D CB -0.437 40.520 40.800 0.260 0.000 1.150 184 D HN 0.195 nan 8.370 nan 0.000 0.494 185 F N -0.169 119.749 119.950 -0.052 0.000 2.458 185 F HA 0.703 5.236 4.527 0.011 0.000 0.330 185 F C 0.118 175.801 175.800 -0.195 0.000 1.082 185 F CA -1.836 56.101 58.000 -0.104 0.000 0.995 185 F CB 0.784 39.736 39.000 -0.079 0.000 1.170 185 F HN 0.247 nan 8.300 nan 0.000 0.478 186 A N 3.703 126.496 122.820 -0.044 0.000 2.454 186 A HA 0.393 4.721 4.320 0.012 0.000 0.260 186 A C 0.493 178.049 177.584 -0.048 0.000 1.106 186 A CA -0.488 51.457 52.037 -0.153 0.000 0.780 186 A CB -0.184 18.730 19.000 -0.145 0.000 1.044 186 A HN 1.022 nan 8.150 nan 0.000 0.498 187 L N 2.141 123.257 121.223 -0.179 0.000 2.477 187 L HA 0.129 4.476 4.340 0.012 0.000 0.220 187 L C 1.144 177.935 176.870 -0.132 0.000 1.106 187 L CA 0.905 55.666 54.840 -0.132 0.000 0.851 187 L CB -0.303 41.627 42.059 -0.215 0.000 0.994 187 L HN 0.889 nan 8.230 nan 0.000 0.462 188 T N -3.218 111.250 114.554 -0.143 0.000 2.883 188 T HA 0.495 4.852 4.350 0.012 0.000 0.296 188 T C -0.183 174.451 174.700 -0.110 0.000 1.117 188 T CA -0.905 61.123 62.100 -0.119 0.000 1.006 188 T CB 2.494 71.293 68.868 -0.114 0.000 1.191 188 T HN -0.075 nan 8.240 nan 0.000 0.508 189 R N -0.182 120.265 120.500 -0.088 0.000 2.541 189 R HA 0.642 4.989 4.340 0.012 0.000 0.263 189 R C 1.740 177.988 176.300 -0.086 0.000 1.112 189 R CA -0.200 55.851 56.100 -0.081 0.000 1.170 189 R CB 0.359 30.623 30.300 -0.060 0.000 1.167 189 R HN 0.856 nan 8.270 nan 0.000 0.582 190 A N 0.471 123.242 122.820 -0.081 0.000 2.070 190 A HA -0.149 4.179 4.320 0.012 0.000 0.220 190 A C 1.910 179.458 177.584 -0.061 0.000 1.159 190 A CA 1.823 53.812 52.037 -0.081 0.000 0.656 190 A CB -0.520 18.439 19.000 -0.068 0.000 0.800 190 A HN 0.768 nan 8.150 nan 0.000 0.453 191 S N -2.024 113.647 115.700 -0.048 0.000 2.481 191 S HA 0.303 4.780 4.470 0.012 0.000 0.231 191 S C 1.543 176.122 174.600 -0.036 0.000 0.996 191 S CA 1.182 59.361 58.200 -0.036 0.000 0.942 191 S CB -0.312 62.870 63.200 -0.030 0.000 0.768 191 S HN 1.838 nan 8.310 nan 0.000 0.520 192 G N 0.749 109.522 108.800 -0.045 0.000 2.195 192 G HA2 -0.183 3.784 3.960 0.012 0.000 0.224 192 G HA3 -0.183 3.784 3.960 0.012 0.000 0.224 192 G C -0.472 174.404 174.900 -0.039 0.000 0.990 192 G CA -0.069 45.008 45.100 -0.039 0.000 0.639 192 G HN 0.515 nan 8.290 nan 0.000 0.514 193 D N 2.760 123.135 120.400 -0.042 0.000 2.425 193 D HA 0.390 5.038 4.640 0.012 0.000 0.247 193 D C -1.705 174.553 176.300 -0.070 0.000 1.147 193 D CA -0.495 53.479 54.000 -0.043 0.000 0.879 193 D CB 1.431 42.207 40.800 -0.040 0.000 1.179 193 D HN 0.256 nan 8.370 nan 0.000 0.456 194 P HA 0.213 nan 4.420 nan 0.000 0.277 194 P C -0.328 176.875 177.300 -0.161 0.000 1.240 194 P CA -0.414 62.592 63.100 -0.156 0.000 0.798 194 P CB 1.122 32.668 31.700 -0.257 0.000 0.979 195 L N 1.564 122.702 121.223 -0.142 0.000 2.365 195 L HA 0.327 4.674 4.340 0.012 0.000 0.267 195 L C 2.076 178.888 176.870 -0.097 0.000 1.033 195 L CA -0.902 53.890 54.840 -0.079 0.000 0.802 195 L CB 0.256 42.298 42.059 -0.030 0.000 1.267 195 L HN 0.340 nan 8.230 nan 0.000 0.457 196 Y N 0.998 121.214 120.300 -0.139 0.000 2.132 196 Y HA -0.368 4.191 4.550 0.015 0.000 0.280 196 Y C 2.475 178.295 175.900 -0.133 0.000 1.193 196 Y CA 2.491 60.509 58.100 -0.137 0.000 1.157 196 Y CB -0.299 38.096 38.460 -0.108 0.000 0.966 196 Y HN 0.818 nan 8.280 nan 0.000 0.511 197 T N -1.682 112.861 114.554 -0.018 0.000 2.849 197 T HA -0.227 4.130 4.350 0.012 0.000 0.270 197 T C 1.666 176.303 174.700 -0.105 0.000 1.066 197 T CA 1.445 63.506 62.100 -0.064 0.000 1.130 197 T CB -0.637 68.286 68.868 0.091 0.000 0.864 197 T HN 0.411 nan 8.240 nan 0.000 0.481 198 L N 1.781 122.905 121.223 -0.165 0.000 2.189 198 L HA 0.261 4.608 4.340 0.012 0.000 0.199 198 L C 2.677 179.341 176.870 -0.343 0.000 1.074 198 L CA 1.154 55.864 54.840 -0.217 0.000 0.783 198 L CB -0.424 41.501 42.059 -0.224 0.000 0.955 198 L HN 0.233 nan 8.230 nan 0.000 0.460 199 V N -1.868 117.758 119.914 -0.480 0.000 2.453 199 V HA -0.152 3.975 4.120 0.012 0.000 0.247 199 V C 2.270 178.146 176.094 -0.364 0.000 1.048 199 V CA 1.972 63.926 62.300 -0.576 0.000 1.049 199 V CB -1.281 30.054 31.823 -0.813 0.000 0.672 199 V HN 0.661 nan 8.190 nan 0.000 0.457 200 N N 1.913 120.293 118.700 -0.533 0.000 2.051 200 N HA -0.067 4.680 4.740 0.012 0.000 0.192 200 N C -0.052 175.287 175.510 -0.284 0.000 1.049 200 N CA 2.219 54.977 53.050 -0.488 0.000 0.845 200 N CB -1.031 36.828 38.487 -1.047 0.000 1.031 200 N HN 0.416 nan 8.380 nan 0.000 0.425 201 P HA -0.056 nan 4.420 nan 0.000 0.218 201 P C 1.980 179.100 177.300 -0.300 0.000 1.149 201 P CA 0.781 63.702 63.100 -0.300 0.000 0.817 201 P CB -0.302 31.144 31.700 -0.422 0.000 0.785 202 C N 0.354 119.522 119.300 -0.221 0.000 2.446 202 C HA -0.088 4.379 4.460 0.012 0.000 0.277 202 C C 2.343 177.310 174.990 -0.039 0.000 1.275 202 C CA 1.329 60.278 59.018 -0.115 0.000 1.727 202 C CB -1.755 25.967 27.740 -0.029 0.000 2.010 202 C HN 0.130 nan 8.230 nan 0.000 0.486 203 D N 0.632 121.025 120.400 -0.012 0.000 2.183 203 D HA -0.064 4.583 4.640 0.012 0.000 0.203 203 D C 1.740 178.031 176.300 -0.014 0.000 0.969 203 D CA 1.112 55.114 54.000 0.004 0.000 0.842 203 D CB -0.569 40.251 40.800 0.033 0.000 0.957 203 D HN 0.554 nan 8.370 nan 0.000 0.484 204 D N 0.722 121.123 120.400 0.002 0.000 2.123 204 D HA -0.113 4.534 4.640 0.012 0.000 0.196 204 D C 2.013 178.343 176.300 0.051 0.000 0.992 204 D CA 1.220 55.244 54.000 0.041 0.000 0.833 204 D CB -0.179 40.687 40.800 0.110 0.000 0.954 204 D HN 0.141 nan 8.370 nan 0.000 0.455 205 A N 0.406 123.288 122.820 0.103 0.000 1.855 205 A HA -0.119 4.208 4.320 0.012 0.000 0.215 205 A C 2.113 179.661 177.584 -0.059 0.000 1.191 205 A CA 0.945 53.026 52.037 0.073 0.000 0.613 205 A CB -0.627 18.423 19.000 0.083 0.000 0.829 205 A HN 0.140 nan 8.150 nan 0.000 0.442 206 L N -0.887 120.288 121.223 -0.081 0.000 2.141 206 L HA 0.026 4.373 4.340 0.012 0.000 0.209 206 L C 2.308 178.987 176.870 -0.318 0.000 1.094 206 L CA 1.451 56.209 54.840 -0.137 0.000 0.763 206 L CB -0.582 41.429 42.059 -0.081 0.000 0.908 206 L HN 0.373 nan 8.230 nan 0.000 0.437 207 M N -0.667 118.771 119.600 -0.269 0.000 2.494 207 M HA 0.057 4.544 4.480 0.012 0.000 0.232 207 M C 0.026 176.068 176.300 -0.431 0.000 1.137 207 M CA 0.008 55.081 55.300 -0.379 0.000 1.012 207 M CB 0.238 32.811 32.600 -0.046 0.000 1.567 207 M HN -0.044 nan 8.290 nan 0.000 0.486 208 K N 0.441 120.626 120.400 -0.358 0.000 3.096 208 K HA -0.152 4.175 4.320 0.012 0.000 0.266 208 K C -0.613 175.917 176.600 -0.118 0.000 1.043 208 K CA 0.538 56.683 56.287 -0.236 0.000 0.758 208 K CB -2.333 29.994 32.500 -0.289 0.000 1.260 208 K HN 0.340 nan 8.250 nan 0.000 0.481 209 I N 1.445 121.960 120.570 -0.092 0.000 2.618 209 I HA -0.029 4.148 4.170 0.012 0.000 0.284 209 I C 2.208 178.265 176.117 -0.101 0.000 1.146 209 I CA 0.867 62.131 61.300 -0.059 0.000 1.425 209 I CB 0.636 38.601 38.000 -0.058 0.000 1.383 209 I HN 0.341 nan 8.210 nan 0.000 0.562 210 T N 2.376 116.908 114.554 -0.037 0.000 3.040 210 T HA 0.113 4.470 4.350 0.012 0.000 0.252 210 T C 0.387 174.893 174.700 -0.324 0.000 1.064 210 T CA 0.391 62.428 62.100 -0.105 0.000 1.110 210 T CB 0.009 68.928 68.868 0.085 0.000 0.921 210 T HN 0.571 nan 8.240 nan 0.000 0.480 211 H N 0.026 119.049 119.070 -0.078 0.000 2.840 211 H HA 0.625 5.189 4.556 0.013 0.000 0.340 211 H C -1.441 173.805 175.328 -0.136 0.000 1.004 211 H CA -0.716 55.286 56.048 -0.077 0.000 1.288 211 H CB 1.940 31.770 29.762 0.114 0.000 1.607 211 H HN 0.015 nan 8.280 nan 0.000 0.522 212 V N 4.882 124.642 119.914 -0.257 0.000 2.334 212 V HA 0.182 4.309 4.120 0.012 0.000 0.267 212 V C -0.564 175.478 176.094 -0.087 0.000 1.040 212 V CA -0.509 61.657 62.300 -0.223 0.000 0.866 212 V CB 0.369 31.888 31.823 -0.507 0.000 1.019 212 V HN 0.454 nan 8.190 nan 0.000 0.468 213 L N 7.626 128.864 121.223 0.026 0.000 2.276 213 L HA 0.689 5.036 4.340 0.012 0.000 0.286 213 L C 0.202 177.103 176.870 0.052 0.000 1.024 213 L CA 0.164 55.036 54.840 0.054 0.000 0.826 213 L CB 1.079 43.224 42.059 0.143 0.000 1.211 213 L HN 0.783 nan 8.230 nan 0.000 0.422 214 R N 1.721 122.210 120.500 -0.019 0.000 2.764 214 R HA 0.815 5.162 4.340 0.012 0.000 0.270 214 R C -0.240 176.094 176.300 0.056 0.000 1.014 214 R CA -0.991 55.128 56.100 0.032 0.000 0.904 214 R CB 0.966 31.297 30.300 0.052 0.000 1.236 214 R HN 0.523 nan 8.270 nan 0.000 0.466 215 G N 0.301 109.152 108.800 0.085 0.000 2.491 215 G HA2 0.018 3.985 3.960 0.012 0.000 0.238 215 G HA3 0.018 3.985 3.960 0.012 0.000 0.238 215 G C 0.655 175.686 174.900 0.219 0.000 1.277 215 G CA -0.190 44.972 45.100 0.103 0.000 0.851 215 G HN 0.814 nan 8.290 nan 0.000 0.573 216 E N 0.954 121.284 120.200 0.218 0.000 2.409 216 E HA -0.153 4.204 4.350 0.012 0.000 0.198 216 E C 1.182 177.861 176.600 0.131 0.000 1.024 216 E CA 1.036 57.584 56.400 0.247 0.000 0.861 216 E CB -0.002 29.809 29.700 0.184 0.000 0.788 216 E HN 0.622 nan 8.360 nan 0.000 0.521 217 D N 1.867 122.322 120.400 0.092 0.000 2.264 217 D HA -0.183 4.464 4.640 0.012 0.000 0.208 217 D C 1.753 178.071 176.300 0.029 0.000 0.966 217 D CA 0.647 54.671 54.000 0.040 0.000 0.864 217 D CB -0.245 40.559 40.800 0.007 0.000 0.933 217 D HN 0.382 nan 8.370 nan 0.000 0.499 218 L N 0.074 121.348 121.223 0.085 0.000 2.592 218 L HA 0.192 4.539 4.340 0.012 0.000 0.227 218 L C 2.440 179.346 176.870 0.060 0.000 1.127 218 L CA -0.213 54.673 54.840 0.076 0.000 0.884 218 L CB -0.182 41.959 42.059 0.136 0.000 1.065 218 L HN -0.013 nan 8.230 nan 0.000 0.457 219 L N 1.498 122.688 121.223 -0.056 0.000 2.043 219 L HA -0.170 4.178 4.340 0.012 0.000 0.212 219 L C -0.418 176.385 176.870 -0.111 0.000 1.075 219 L CA 1.904 56.531 54.840 -0.356 0.000 0.752 219 L CB -0.787 41.064 42.059 -0.348 0.000 0.891 219 L HN 0.200 nan 8.230 nan 0.000 0.432 220 P HA -0.118 nan 4.420 nan 0.000 0.222 220 P C 1.629 178.790 177.300 -0.231 0.000 1.147 220 P CA 1.517 64.579 63.100 -0.063 0.000 0.790 220 P CB -0.121 31.572 31.700 -0.011 0.000 0.780 221 S N -2.401 113.185 115.700 -0.190 0.000 2.481 221 S HA -0.087 4.390 4.470 0.012 0.000 0.231 221 S C 1.692 176.083 174.600 -0.347 0.000 0.996 221 S CA 1.310 59.376 58.200 -0.223 0.000 0.942 221 S CB -1.675 61.495 63.200 -0.050 0.000 0.768 221 S HN 0.095 nan 8.310 nan 0.000 0.520 222 T N 3.598 117.874 114.554 -0.464 0.000 2.708 222 T HA -0.001 4.356 4.350 0.012 0.000 0.266 222 T C -0.571 173.702 174.700 -0.711 0.000 1.037 222 T CA 1.451 63.066 62.100 -0.808 0.000 1.146 222 T CB -1.413 66.633 68.868 -1.370 0.000 0.865 222 T HN 0.484 nan 8.240 nan 0.000 0.435 223 P HA -0.081 nan 4.420 nan 0.000 0.215 223 P C 1.424 178.543 177.300 -0.303 0.000 1.153 223 P CA 1.270 64.123 63.100 -0.412 0.000 0.853 223 P CB -0.095 31.239 31.700 -0.611 0.000 0.788 224 R N -0.093 120.156 120.500 -0.419 0.000 2.091 224 R HA -0.127 4.220 4.340 0.012 0.000 0.238 224 R C 2.697 178.821 176.300 -0.293 0.000 1.136 224 R CA 1.466 57.263 56.100 -0.505 0.000 0.959 224 R CB -0.608 29.076 30.300 -1.027 0.000 0.856 224 R HN 0.363 nan 8.270 nan 0.000 0.437 225 Q N 0.423 120.055 119.800 -0.280 0.000 2.119 225 Q HA -0.107 4.240 4.340 0.012 0.000 0.201 225 Q C 2.281 178.308 176.000 0.045 0.000 0.972 225 Q CA 1.082 56.816 55.803 -0.117 0.000 0.847 225 Q CB -0.066 28.629 28.738 -0.072 0.000 0.903 225 Q HN 0.373 nan 8.270 nan 0.000 0.433 226 L N 0.243 121.438 121.223 -0.046 0.000 2.017 226 L HA -0.210 4.137 4.340 0.012 0.000 0.208 226 L C 2.581 179.515 176.870 0.108 0.000 1.073 226 L CA 1.013 55.888 54.840 0.057 0.000 0.745 226 L CB -0.716 41.319 42.059 -0.040 0.000 0.894 226 L HN 0.215 nan 8.230 nan 0.000 0.432 227 A N 0.112 122.979 122.820 0.078 0.000 1.873 227 A HA -0.279 4.049 4.320 0.012 0.000 0.218 227 A C 2.221 179.870 177.584 0.108 0.000 1.193 227 A CA 2.141 54.248 52.037 0.117 0.000 0.629 227 A CB -0.868 18.243 19.000 0.185 0.000 0.826 227 A HN 0.338 nan 8.150 nan 0.000 0.447 228 L N -1.020 120.269 121.223 0.111 0.000 2.046 228 L HA -0.161 4.186 4.340 0.012 0.000 0.208 228 L C 2.404 179.253 176.870 -0.036 0.000 1.077 228 L CA 2.140 56.993 54.840 0.021 0.000 0.747 228 L CB -0.715 41.343 42.059 -0.001 0.000 0.896 228 L HN 0.518 nan 8.230 nan 0.000 0.432 229 H N -0.524 118.566 119.070 0.034 0.000 2.321 229 H HA -0.166 4.395 4.556 0.007 0.000 0.300 229 H C 2.211 177.553 175.328 0.024 0.000 1.087 229 H CA 2.014 58.078 56.048 0.026 0.000 1.319 229 H CB -0.062 29.726 29.762 0.043 0.000 1.379 229 H HN 0.536 nan 8.280 nan 0.000 0.501 230 Q N 0.063 119.957 119.800 0.157 0.000 2.096 230 Q HA -0.124 4.223 4.340 0.012 0.000 0.204 230 Q C 2.571 178.607 176.000 0.060 0.000 0.982 230 Q CA 1.390 57.251 55.803 0.096 0.000 0.850 230 Q CB -0.093 28.697 28.738 0.087 0.000 0.901 230 Q HN 0.416 nan 8.270 nan 0.000 0.422 231 A N 0.810 123.654 122.820 0.040 0.000 1.877 231 A HA -0.176 4.151 4.320 0.012 0.000 0.216 231 A C 2.054 179.640 177.584 0.004 0.000 1.186 231 A CA 1.203 53.246 52.037 0.010 0.000 0.620 231 A CB -0.753 18.236 19.000 -0.020 0.000 0.822 231 A HN 0.317 nan 8.150 nan 0.000 0.443 232 L N -0.690 120.535 121.223 0.004 0.000 2.131 232 L HA -0.179 4.168 4.340 0.012 0.000 0.210 232 L C 2.391 179.274 176.870 0.021 0.000 1.092 232 L CA 1.104 55.946 54.840 0.002 0.000 0.759 232 L CB -0.524 41.530 42.059 -0.007 0.000 0.903 232 L HN 0.394 nan 8.230 nan 0.000 0.435 233 I N -0.624 119.970 120.570 0.040 0.000 2.353 233 I HA -0.228 3.949 4.170 0.012 0.000 0.248 233 I C 2.664 178.796 176.117 0.025 0.000 1.119 233 I CA 1.041 62.362 61.300 0.036 0.000 1.417 233 I CB -0.230 37.797 38.000 0.045 0.000 1.078 233 I HN 0.166 nan 8.210 nan 0.000 0.421 234 R N 1.040 121.554 120.500 0.023 0.000 2.092 234 R HA -0.077 4.270 4.340 0.012 0.000 0.231 234 R C 2.011 178.318 176.300 0.010 0.000 1.119 234 R CA 1.404 57.515 56.100 0.017 0.000 0.970 234 R CB -0.394 29.916 30.300 0.017 0.000 0.864 234 R HN 0.474 nan 8.270 nan 0.000 0.440 235 I N -2.581 117.992 120.570 0.005 0.000 3.806 235 I HA 0.358 4.535 4.170 0.012 0.000 0.321 235 I C 0.676 176.794 176.117 0.002 0.000 1.315 235 I CA 0.410 61.710 61.300 0.000 0.000 1.148 235 I CB 0.252 38.246 38.000 -0.009 0.000 1.028 235 I HN 0.200 nan 8.210 nan 0.000 0.415 236 G N 1.148 109.952 108.800 0.007 0.000 2.148 236 G HA2 -0.261 3.706 3.960 0.012 0.000 0.254 236 G HA3 -0.261 3.706 3.960 0.012 0.000 0.254 236 G C 0.600 175.504 174.900 0.007 0.000 0.981 236 G CA 0.437 45.542 45.100 0.008 0.000 0.670 236 G HN 0.356 nan 8.290 nan 0.000 0.528 237 V N -0.496 119.420 119.914 0.004 0.000 2.992 237 V HA 0.578 4.705 4.120 0.012 0.000 0.250 237 V C 1.598 177.693 176.094 0.003 0.000 1.090 237 V CA 2.126 64.426 62.300 0.000 0.000 1.101 237 V CB 0.238 32.056 31.823 -0.008 0.000 0.743 237 V HN 1.267 nan 8.190 nan 0.000 0.468 238 A N -0.587 122.240 122.820 0.012 0.000 2.486 238 A HA 0.739 5.067 4.320 0.012 0.000 0.289 238 A C 0.458 178.054 177.584 0.019 0.000 1.176 238 A CA -0.002 52.045 52.037 0.017 0.000 0.757 238 A CB 1.987 21.014 19.000 0.046 0.000 1.337 238 A HN 0.097 nan 8.150 nan 0.000 0.423 239 E N -0.816 119.392 120.200 0.012 0.000 2.354 239 E HA 0.218 4.575 4.350 0.012 0.000 0.203 239 E C 0.081 176.685 176.600 0.007 0.000 0.841 239 E CA 0.240 56.646 56.400 0.010 0.000 1.046 239 E CB 0.481 30.184 29.700 0.005 0.000 1.040 239 E HN 0.472 nan 8.360 nan 0.000 0.504 240 R N 0.449 120.944 120.500 -0.008 0.000 2.725 240 R HA 0.396 4.744 4.340 0.012 0.000 0.277 240 R C -1.020 175.241 176.300 -0.065 0.000 0.987 240 R CA -0.897 55.187 56.100 -0.026 0.000 0.901 240 R CB 1.590 31.866 30.300 -0.040 0.000 1.207 240 R HN 0.047 nan 8.270 nan 0.000 0.463 241 I N 4.164 124.690 120.570 -0.073 0.000 2.441 241 I HA 0.176 4.353 4.170 0.012 0.000 0.287 241 I C -1.507 174.466 176.117 -0.240 0.000 1.049 241 I CA -1.408 59.793 61.300 -0.164 0.000 1.381 241 I CB 0.526 38.503 38.000 -0.039 0.000 1.409 241 I HN 0.277 nan 8.210 nan 0.000 0.523 242 P HA 0.151 nan 4.420 nan 0.000 0.272 242 P C -0.958 176.077 177.300 -0.441 0.000 1.240 242 P CA -0.531 62.279 63.100 -0.482 0.000 0.791 242 P CB 0.604 31.890 31.700 -0.690 0.000 0.978 243 K N 0.774 120.912 120.400 -0.436 0.000 2.154 243 K HA 0.425 4.753 4.320 0.012 0.000 0.264 243 K C -0.355 176.021 176.600 -0.373 0.000 1.008 243 K CA -0.099 56.053 56.287 -0.224 0.000 0.937 243 K CB 0.355 32.746 32.500 -0.182 0.000 1.002 243 K HN 0.341 nan 8.250 nan 0.000 0.469 244 F N 0.202 120.169 119.950 0.029 0.000 2.532 244 F HA 0.482 5.014 4.527 0.010 0.000 0.321 244 F C -0.183 175.718 175.800 0.168 0.000 1.089 244 F CA -0.806 57.204 58.000 0.016 0.000 0.926 244 F CB 2.104 41.035 39.000 -0.116 0.000 1.168 244 F HN 0.469 nan 8.300 nan 0.000 0.459 245 A N 2.113 125.043 122.820 0.183 0.000 2.411 245 A HA 0.634 4.961 4.320 0.012 0.000 0.285 245 A C -1.750 175.863 177.584 0.047 0.000 1.129 245 A CA -0.539 51.605 52.037 0.178 0.000 0.736 245 A CB 0.087 19.155 19.000 0.114 0.000 1.186 245 A HN 0.845 nan 8.150 nan 0.000 0.445 246 H N 1.778 121.010 119.070 0.269 0.000 2.519 246 H HA 0.536 5.099 4.556 0.011 0.000 0.316 246 H C -0.141 175.290 175.328 0.172 0.000 1.065 246 H CA -0.081 56.100 56.048 0.223 0.000 1.264 246 H CB 1.085 30.994 29.762 0.245 0.000 1.413 246 H HN 0.604 nan 8.280 nan 0.000 0.465 247 L N 5.459 126.799 121.223 0.195 0.000 2.418 247 L HA 0.334 4.681 4.340 0.012 0.000 0.265 247 L C -1.965 174.980 176.870 0.125 0.000 1.143 247 L CA -2.218 52.710 54.840 0.147 0.000 0.809 247 L CB 0.593 42.676 42.059 0.040 0.000 1.124 247 L HN 0.455 nan 8.230 nan 0.000 0.456 248 P HA 0.035 nan 4.420 nan 0.000 0.271 248 P C -0.487 176.852 177.300 0.065 0.000 1.216 248 P CA -0.219 62.938 63.100 0.096 0.000 0.771 248 P CB 0.409 32.172 31.700 0.104 0.000 0.864 249 T N 2.269 116.863 114.554 0.067 0.000 2.916 249 T HA 0.111 4.468 4.350 0.012 0.000 0.303 249 T C 0.491 175.232 174.700 0.068 0.000 1.025 249 T CA -0.087 62.045 62.100 0.054 0.000 1.142 249 T CB 0.071 68.969 68.868 0.049 0.000 0.947 249 T HN 0.099 nan 8.240 nan 0.000 0.544 250 V N 5.789 125.748 119.914 0.075 0.000 2.470 250 V HA 0.221 4.348 4.120 0.012 0.000 0.276 250 V C 0.463 176.642 176.094 0.142 0.000 1.040 250 V CA -0.295 62.082 62.300 0.129 0.000 1.008 250 V CB 0.011 31.939 31.823 0.175 0.000 0.990 250 V HN 0.637 nan 8.190 nan 0.000 0.477 251 L N 4.178 125.491 121.223 0.149 0.000 2.360 251 L HA 0.667 5.015 4.340 0.012 0.000 0.271 251 L C 1.196 178.161 176.870 0.159 0.000 1.057 251 L CA -0.254 54.665 54.840 0.131 0.000 0.803 251 L CB 1.274 43.399 42.059 0.110 0.000 1.207 251 L HN 0.723 nan 8.230 nan 0.000 0.445 252 G N -0.076 108.795 108.800 0.118 0.000 2.928 252 G HA2 0.015 3.982 3.960 0.012 0.000 0.163 252 G HA3 0.015 3.982 3.960 0.012 0.000 0.163 252 G C 0.599 175.566 174.900 0.111 0.000 1.573 252 G CA 0.042 45.211 45.100 0.116 0.000 1.084 252 G HN 0.646 nan 8.290 nan 0.000 0.569 253 E N -0.489 119.764 120.200 0.087 0.000 2.274 253 E HA 0.154 4.511 4.350 0.012 0.000 0.194 253 E C 1.358 177.998 176.600 0.067 0.000 0.996 253 E CA 1.108 57.556 56.400 0.080 0.000 0.840 253 E CB -0.373 29.367 29.700 0.066 0.000 0.772 253 E HN 0.438 nan 8.360 nan 0.000 0.491 254 G N -1.517 107.319 108.800 0.060 0.000 3.211 254 G HA2 0.203 4.170 3.960 0.012 0.000 0.167 254 G HA3 0.203 4.170 3.960 0.012 0.000 0.167 254 G C 0.660 175.591 174.900 0.052 0.000 1.212 254 G CA 0.237 45.367 45.100 0.050 0.000 0.928 254 G HN 0.140 nan 8.290 nan 0.000 0.607 255 T N -1.322 113.258 114.554 0.043 0.000 3.118 255 T HA 0.115 4.472 4.350 0.012 0.000 0.260 255 T C 0.822 175.547 174.700 0.042 0.000 1.139 255 T CA 0.554 62.679 62.100 0.041 0.000 1.085 255 T CB -0.373 68.514 68.868 0.032 0.000 0.934 255 T HN 0.523 nan 8.240 nan 0.000 0.518 256 K N 1.453 121.879 120.400 0.043 0.000 2.174 256 K HA 0.371 4.698 4.320 0.012 0.000 0.275 256 K C -0.191 176.440 176.600 0.053 0.000 1.015 256 K CA -0.962 55.350 56.287 0.041 0.000 0.933 256 K CB 1.452 33.973 32.500 0.035 0.000 1.025 256 K HN 0.041 nan 8.250 nan 0.000 0.463 257 K N 2.034 122.463 120.400 0.048 0.000 2.527 257 K HA -0.098 4.229 4.320 0.012 0.000 0.278 257 K C -0.234 176.413 176.600 0.078 0.000 0.981 257 K CA -0.370 55.952 56.287 0.059 0.000 1.009 257 K CB 0.301 32.821 32.500 0.034 0.000 0.895 257 K HN 0.557 nan 8.250 nan 0.000 0.493 258 L N 3.785 125.076 121.223 0.114 0.000 2.477 258 L HA 0.047 4.394 4.340 0.012 0.000 0.272 258 L C -0.099 176.878 176.870 0.178 0.000 1.157 258 L CA 0.865 55.771 54.840 0.110 0.000 0.889 258 L CB 0.862 42.973 42.059 0.086 0.000 1.158 258 L HN 0.612 nan 8.230 nan 0.000 0.473 259 S N 3.618 119.374 115.700 0.093 0.000 2.580 259 S HA 0.212 4.689 4.470 0.012 0.000 0.274 259 S C 1.120 175.780 174.600 0.099 0.000 1.329 259 S CA -0.445 57.817 58.200 0.103 0.000 1.036 259 S CB 0.652 63.875 63.200 0.038 0.000 0.919 259 S HN 0.769 nan 8.310 nan 0.000 0.515 260 K N 2.776 123.269 120.400 0.155 0.000 2.442 260 K HA -0.018 4.309 4.320 0.012 0.000 0.198 260 K C 1.531 178.139 176.600 0.013 0.000 1.042 260 K CA 0.844 57.204 56.287 0.121 0.000 0.958 260 K CB -0.021 32.571 32.500 0.153 0.000 0.766 260 K HN 0.536 nan 8.250 nan 0.000 0.474 261 R N 0.832 121.334 120.500 0.004 0.000 2.297 261 R HA 0.036 4.383 4.340 0.012 0.000 0.197 261 R C 0.292 176.569 176.300 -0.038 0.000 0.943 261 R CA 0.131 56.222 56.100 -0.015 0.000 1.038 261 R CB 0.079 30.376 30.300 -0.006 0.000 0.957 261 R HN 0.104 nan 8.270 nan 0.000 0.484 262 D N 1.497 121.862 120.400 -0.059 0.000 2.280 262 D HA 0.083 4.731 4.640 0.012 0.000 0.243 262 D C -1.561 174.661 176.300 -0.131 0.000 1.129 262 D CA -2.458 51.494 54.000 -0.080 0.000 0.848 262 D CB 1.781 42.532 40.800 -0.081 0.000 1.107 262 D HN -0.117 nan 8.370 nan 0.000 0.471 263 P HA -0.165 nan 4.420 nan 0.000 0.222 263 P C 1.216 178.370 177.300 -0.244 0.000 1.147 263 P CA 0.814 63.822 63.100 -0.153 0.000 0.790 263 P CB 0.304 31.937 31.700 -0.112 0.000 0.780 264 Q N 1.065 120.725 119.800 -0.234 0.000 2.364 264 Q HA -0.119 4.228 4.340 0.012 0.000 0.209 264 Q C 1.925 177.672 176.000 -0.423 0.000 0.977 264 Q CA 1.733 57.354 55.803 -0.303 0.000 0.885 264 Q CB -0.288 28.304 28.738 -0.244 0.000 0.941 264 Q HN 0.303 nan 8.270 nan 0.000 0.464 265 S N -0.399 115.043 115.700 -0.431 0.000 2.527 265 S HA -0.020 4.457 4.470 0.012 0.000 0.222 265 S C 0.614 174.944 174.600 -0.451 0.000 0.985 265 S CA -0.053 57.774 58.200 -0.621 0.000 0.921 265 S CB -0.025 62.660 63.200 -0.859 0.000 0.772 265 S HN 0.260 nan 8.310 nan 0.000 0.529 266 N N 1.646 120.162 118.700 -0.306 0.000 2.406 266 N HA 0.200 4.947 4.740 0.012 0.000 0.251 266 N C 0.612 176.038 175.510 -0.140 0.000 1.069 266 N CA -0.453 52.465 53.050 -0.220 0.000 0.947 266 N CB 0.824 39.208 38.487 -0.171 0.000 1.111 266 N HN 0.183 nan 8.380 nan 0.000 0.497 267 L N 4.386 125.527 121.223 -0.138 0.000 2.051 267 L HA -0.116 4.231 4.340 0.012 0.000 0.214 267 L C 1.268 178.164 176.870 0.043 0.000 1.076 267 L CA 1.816 56.635 54.840 -0.036 0.000 0.758 267 L CB -0.512 41.402 42.059 -0.243 0.000 0.890 267 L HN 0.528 nan 8.230 nan 0.000 0.433 268 F N -0.712 119.195 119.950 -0.072 0.000 2.661 268 F HA 0.110 4.644 4.527 0.012 0.000 0.298 268 F C 2.347 178.071 175.800 -0.127 0.000 1.137 268 F CA 0.281 58.197 58.000 -0.141 0.000 1.454 268 F CB -1.595 37.323 39.000 -0.137 0.000 1.103 268 F HN 0.170 nan 8.300 nan 0.000 0.577 269 A N -0.390 122.418 122.820 -0.019 0.000 1.930 269 A HA -0.162 4.165 4.320 0.012 0.000 0.217 269 A C 2.127 179.637 177.584 -0.123 0.000 1.175 269 A CA 1.404 53.362 52.037 -0.132 0.000 0.627 269 A CB -0.819 18.012 19.000 -0.283 0.000 0.815 269 A HN 0.342 nan 8.150 nan 0.000 0.443 270 H N -0.315 118.773 119.070 0.030 0.000 2.326 270 H HA -0.120 4.443 4.556 0.012 0.000 0.301 270 H C 2.288 177.769 175.328 0.255 0.000 1.081 270 H CA 1.845 57.930 56.048 0.062 0.000 1.334 270 H CB -0.378 29.220 29.762 -0.273 0.000 1.385 270 H HN 0.596 nan 8.280 nan 0.000 0.504 271 R N 1.514 122.165 120.500 0.251 0.000 2.143 271 R HA -0.201 4.146 4.340 0.012 0.000 0.239 271 R C 1.887 178.293 176.300 0.177 0.000 1.126 271 R CA 2.435 58.580 56.100 0.074 0.000 0.927 271 R CB -0.903 29.166 30.300 -0.386 0.000 0.860 271 R HN 0.216 nan 8.270 nan 0.000 0.433 272 D N -0.882 119.600 120.400 0.135 0.000 2.158 272 D HA -0.183 4.464 4.640 0.012 0.000 0.197 272 D C 2.061 178.468 176.300 0.179 0.000 0.995 272 D CA 1.561 55.672 54.000 0.185 0.000 0.846 272 D CB -0.096 40.777 40.800 0.121 0.000 0.941 272 D HN 0.367 nan 8.370 nan 0.000 0.456 273 R N -1.187 119.428 120.500 0.193 0.000 2.115 273 R HA 0.013 4.360 4.340 0.012 0.000 0.226 273 R C 0.952 177.319 176.300 0.111 0.000 1.100 273 R CA 1.261 57.471 56.100 0.182 0.000 0.980 273 R CB 0.182 30.625 30.300 0.237 0.000 0.875 273 R HN 0.264 nan 8.270 nan 0.000 0.445 274 G N -0.935 107.938 108.800 0.122 0.000 2.157 274 G HA2 -0.158 3.809 3.960 0.012 0.000 0.114 274 G HA3 -0.158 3.809 3.960 0.012 0.000 0.114 274 G C -0.337 174.579 174.900 0.028 0.000 1.041 274 G CA -0.680 44.312 45.100 -0.180 0.000 0.714 274 G HN 0.107 nan 8.290 nan 0.000 0.492 275 F N 1.177 121.227 119.950 0.167 0.000 2.563 275 F HA 0.470 5.004 4.527 0.012 0.000 0.363 275 F C 1.586 177.590 175.800 0.340 0.000 1.123 275 F CA 0.323 58.468 58.000 0.243 0.000 1.307 275 F CB 0.525 39.716 39.000 0.318 0.000 1.115 275 F HN 0.330 nan 8.300 nan 0.000 0.592 276 I N 1.762 122.513 120.570 0.300 0.000 2.676 276 I HA 0.422 4.599 4.170 0.012 0.000 0.309 276 I C -2.202 173.893 176.117 -0.037 0.000 0.990 276 I CA -2.396 59.015 61.300 0.185 0.000 1.168 276 I CB 1.344 39.394 38.000 0.084 0.000 1.343 276 I HN 0.276 nan 8.210 nan 0.000 0.482 277 P HA -0.156 nan 4.420 nan 0.000 0.215 277 P C 1.033 178.114 177.300 -0.365 0.000 1.157 277 P CA 1.594 64.275 63.100 -0.698 0.000 0.874 277 P CB 0.138 31.320 31.700 -0.863 0.000 0.790 278 E N -0.644 119.367 120.200 -0.314 0.000 2.085 278 E HA -0.131 4.226 4.350 0.012 0.000 0.194 278 E C 2.279 178.478 176.600 -0.669 0.000 0.994 278 E CA 1.637 57.787 56.400 -0.416 0.000 0.801 278 E CB -1.425 28.102 29.700 -0.288 0.000 0.743 278 E HN 0.251 nan 8.360 nan 0.000 0.453 279 G N 0.660 109.245 108.800 -0.358 0.000 2.433 279 G HA2 -0.235 3.732 3.960 0.012 0.000 0.216 279 G HA3 -0.235 3.732 3.960 0.012 0.000 0.216 279 G C 1.454 176.396 174.900 0.070 0.000 1.186 279 G CA 0.657 45.689 45.100 -0.114 0.000 0.779 279 G HN 0.190 nan 8.290 nan 0.000 0.543 280 L N 0.518 121.844 121.223 0.171 0.000 2.156 280 L HA 0.220 4.567 4.340 0.012 0.000 0.208 280 L C 2.701 179.602 176.870 0.053 0.000 1.095 280 L CA 1.006 55.951 54.840 0.175 0.000 0.770 280 L CB -0.434 41.744 42.059 0.199 0.000 0.914 280 L HN 0.162 nan 8.230 nan 0.000 0.439 281 L N -0.792 120.393 121.223 -0.063 0.000 2.046 281 L HA -0.260 4.087 4.340 0.012 0.000 0.208 281 L C 2.287 179.135 176.870 -0.037 0.000 1.077 281 L CA 1.911 56.704 54.840 -0.078 0.000 0.747 281 L CB -0.683 41.284 42.059 -0.153 0.000 0.896 281 L HN 0.494 nan 8.230 nan 0.000 0.432 282 N N -0.753 117.864 118.700 -0.140 0.000 2.069 282 N HA -0.289 4.458 4.740 0.012 0.000 0.191 282 N C 2.093 177.559 175.510 -0.073 0.000 1.031 282 N CA 1.254 54.159 53.050 -0.240 0.000 0.852 282 N CB -0.130 38.167 38.487 -0.316 0.000 1.018 282 N HN 0.184 nan 8.380 nan 0.000 0.423 283 Y N 1.469 121.727 120.300 -0.070 0.000 2.145 283 Y HA -0.103 4.454 4.550 0.012 0.000 0.286 283 Y C 1.934 177.846 175.900 0.021 0.000 1.145 283 Y CA 1.421 59.495 58.100 -0.043 0.000 1.148 283 Y CB -0.431 37.977 38.460 -0.086 0.000 0.981 283 Y HN 0.095 nan 8.280 nan 0.000 0.507 284 L N -0.384 120.786 121.223 -0.089 0.000 2.191 284 L HA -0.191 4.156 4.340 0.012 0.000 0.212 284 L C 2.694 179.629 176.870 0.109 0.000 1.103 284 L CA 0.966 55.768 54.840 -0.064 0.000 0.769 284 L CB -0.978 41.103 42.059 0.037 0.000 0.908 284 L HN 0.306 nan 8.230 nan 0.000 0.438 285 A N 0.203 123.159 122.820 0.227 0.000 2.024 285 A HA -0.129 4.199 4.320 0.012 0.000 0.220 285 A C 2.119 180.050 177.584 0.578 0.000 1.164 285 A CA 1.296 53.642 52.037 0.514 0.000 0.643 285 A CB -0.575 18.830 19.000 0.674 0.000 0.806 285 A HN 0.441 nan 8.150 nan 0.000 0.451 286 L N -0.718 120.655 121.223 0.251 0.000 2.599 286 L HA 0.145 4.492 4.340 0.012 0.000 0.230 286 L C 0.153 177.079 176.870 0.093 0.000 1.141 286 L CA -0.080 54.856 54.840 0.159 0.000 0.877 286 L CB -0.164 41.893 42.059 -0.003 0.000 1.009 286 L HN 0.248 nan 8.230 nan 0.000 0.447 287 L N 0.985 122.272 121.223 0.105 0.000 2.466 287 L HA 0.331 4.678 4.340 0.012 0.000 0.248 287 L C 0.979 177.992 176.870 0.238 0.000 1.240 287 L CA 0.054 54.938 54.840 0.074 0.000 1.180 287 L CB -0.160 41.876 42.059 -0.039 0.000 1.413 287 L HN 0.303 nan 8.230 nan 0.000 0.406 288 G N -0.091 108.900 108.800 0.319 0.000 2.205 288 G HA2 -0.239 3.728 3.960 0.012 0.000 0.180 288 G HA3 -0.239 3.728 3.960 0.012 0.000 0.180 288 G C -0.706 174.504 174.900 0.516 0.000 1.004 288 G CA -0.390 44.953 45.100 0.405 0.000 0.670 288 G HN 0.477 nan 8.290 nan 0.000 0.496 289 W N 0.604 122.052 121.300 0.246 0.000 3.018 289 W HA 0.683 5.351 4.660 0.013 0.000 0.352 289 W C -0.737 175.798 176.519 0.027 0.000 1.230 289 W CA 0.031 57.401 57.345 0.042 0.000 1.162 289 W CB 1.552 30.939 29.460 -0.123 0.000 1.483 289 W HN 0.918 nan 8.180 nan 0.000 0.584 290 S N 2.808 117.879 115.700 -1.048 0.000 2.582 290 S HA 0.181 4.658 4.470 0.012 0.000 0.296 290 S C -0.545 173.180 174.600 -1.459 0.000 1.118 290 S CA -0.552 57.100 58.200 -0.914 0.000 0.947 290 S CB 0.771 63.706 63.200 -0.442 0.000 1.131 290 S HN 0.800 nan 8.310 nan 0.000 0.453 291 I N 2.372 122.147 120.570 -1.324 0.000 2.546 291 I HA 0.363 4.540 4.170 0.012 0.000 0.255 291 I C 0.737 176.454 176.117 -0.666 0.000 1.163 291 I CA 1.506 62.126 61.300 -1.134 0.000 1.457 291 I CB 0.011 37.426 38.000 -0.975 0.000 1.092 291 I HN 0.996 nan 8.210 nan 0.000 0.434 292 A N -0.761 121.702 122.820 -0.595 0.000 2.599 292 A HA 0.295 4.622 4.320 0.012 0.000 0.294 292 A C -0.415 176.967 177.584 -0.337 0.000 1.055 292 A CA -0.566 51.213 52.037 -0.431 0.000 0.683 292 A CB 0.389 19.074 19.000 -0.524 0.000 1.278 292 A HN 0.038 nan 8.150 nan 0.000 0.412 293 D N 0.404 120.679 120.400 -0.209 0.000 2.317 293 D HA -0.011 4.636 4.640 0.012 0.000 0.211 293 D C 0.809 177.056 176.300 -0.088 0.000 0.966 293 D CA 1.681 55.598 54.000 -0.139 0.000 0.876 293 D CB 0.230 40.974 40.800 -0.094 0.000 0.927 293 D HN 0.654 nan 8.370 nan 0.000 0.519 294 D N -0.631 119.728 120.400 -0.069 0.000 2.369 294 D HA -0.058 4.590 4.640 0.012 0.000 0.211 294 D C 0.439 176.815 176.300 0.125 0.000 1.077 294 D CA -0.001 54.017 54.000 0.030 0.000 0.842 294 D CB -0.156 40.687 40.800 0.072 0.000 0.947 294 D HN 0.365 nan 8.370 nan 0.000 0.509 295 H N -1.299 117.774 119.070 0.005 0.000 3.043 295 H HA 0.282 4.845 4.556 0.012 0.000 0.317 295 H C -1.566 173.816 175.328 0.089 0.000 1.321 295 H CA -0.561 55.510 56.048 0.038 0.000 1.243 295 H CB 0.859 30.647 29.762 0.043 0.000 1.924 295 H HN -0.083 nan 8.280 nan 0.000 0.527 296 D N 1.814 122.328 120.400 0.189 0.000 2.540 296 D HA 0.142 4.789 4.640 0.012 0.000 0.229 296 D C -0.041 176.378 176.300 0.198 0.000 1.250 296 D CA -0.365 53.763 54.000 0.213 0.000 0.817 296 D CB 0.603 41.477 40.800 0.123 0.000 1.060 296 D HN 0.209 nan 8.370 nan 0.000 0.508 297 L N 1.857 123.248 121.223 0.280 0.000 2.264 297 L HA 0.619 4.967 4.340 0.012 0.000 0.289 297 L C -1.366 175.665 176.870 0.270 0.000 1.044 297 L CA -0.513 54.387 54.840 0.100 0.000 0.807 297 L CB 0.181 42.254 42.059 0.023 0.000 1.192 297 L HN 0.095 nan 8.230 nan 0.000 0.425 298 F N 2.342 122.445 119.950 0.255 0.000 2.703 298 F HA 0.808 5.342 4.527 0.012 0.000 0.308 298 F C -0.017 175.968 175.800 0.309 0.000 1.126 298 F CA -0.764 57.386 58.000 0.250 0.000 0.959 298 F CB 0.312 39.469 39.000 0.260 0.000 1.297 298 F HN 0.590 nan 8.300 nan 0.000 0.441 299 G N 0.938 110.008 108.800 0.451 0.000 2.557 299 G HA2 0.419 4.386 3.960 0.012 0.000 0.292 299 G HA3 0.419 4.386 3.960 0.012 0.000 0.292 299 G C -0.012 175.095 174.900 0.345 0.000 1.237 299 G CA -0.666 44.636 45.100 0.336 0.000 0.978 299 G HN 0.885 nan 8.290 nan 0.000 0.498 300 L N -0.457 120.886 121.223 0.200 0.000 2.046 300 L HA -0.010 4.337 4.340 0.012 0.000 0.208 300 L C 2.248 179.241 176.870 0.205 0.000 1.077 300 L CA 1.934 56.884 54.840 0.182 0.000 0.747 300 L CB -0.468 41.635 42.059 0.073 0.000 0.896 300 L HN 0.494 nan 8.230 nan 0.000 0.432 301 D N -0.357 120.146 120.400 0.172 0.000 2.123 301 D HA -0.197 4.450 4.640 0.012 0.000 0.196 301 D C 2.102 178.492 176.300 0.151 0.000 0.992 301 D CA 1.356 55.443 54.000 0.143 0.000 0.833 301 D CB 0.038 40.904 40.800 0.111 0.000 0.954 301 D HN 0.500 nan 8.370 nan 0.000 0.455 302 E N -0.031 120.283 120.200 0.189 0.000 2.110 302 E HA -0.145 4.212 4.350 0.012 0.000 0.193 302 E C 2.076 178.772 176.600 0.162 0.000 0.988 302 E CA 0.512 57.022 56.400 0.184 0.000 0.804 302 E CB -0.094 29.752 29.700 0.243 0.000 0.745 302 E HN 0.251 nan 8.360 nan 0.000 0.458 303 M N 0.635 120.351 119.600 0.194 0.000 2.086 303 M HA -0.172 4.315 4.480 0.012 0.000 0.261 303 M C 2.191 178.522 176.300 0.051 0.000 1.067 303 M CA 1.311 56.674 55.300 0.106 0.000 1.116 303 M CB 0.046 32.727 32.600 0.135 0.000 1.348 303 M HN -0.002 nan 8.290 nan 0.000 0.407 304 V N 0.977 120.946 119.914 0.090 0.000 2.324 304 V HA -0.299 3.828 4.120 0.012 0.000 0.250 304 V C 2.640 178.847 176.094 0.189 0.000 1.060 304 V CA 2.069 64.413 62.300 0.074 0.000 1.042 304 V CB -1.421 30.426 31.823 0.039 0.000 0.650 304 V HN 0.678 nan 8.190 nan 0.000 0.450 305 A N -0.728 122.195 122.820 0.171 0.000 1.968 305 A HA 0.090 4.417 4.320 0.012 0.000 0.217 305 A C 2.224 179.992 177.584 0.307 0.000 1.169 305 A CA 1.828 53.986 52.037 0.202 0.000 0.638 305 A CB -0.393 18.681 19.000 0.123 0.000 0.812 305 A HN 0.588 nan 8.150 nan 0.000 0.446 306 A N -1.998 120.947 122.820 0.208 0.000 2.140 306 A HA 0.429 4.756 4.320 0.012 0.000 0.209 306 A C 0.526 178.116 177.584 0.010 0.000 1.181 306 A CA -0.302 51.839 52.037 0.172 0.000 0.824 306 A CB -0.204 18.928 19.000 0.219 0.000 0.879 306 A HN 0.421 nan 8.150 nan 0.000 0.480 307 F N 1.700 121.417 119.950 -0.388 0.000 2.472 307 F HA 0.431 4.964 4.527 0.011 0.000 0.364 307 F C -0.273 175.081 175.800 -0.743 0.000 1.090 307 F CA -0.598 57.000 58.000 -0.670 0.000 1.188 307 F CB 0.451 38.892 39.000 -0.931 0.000 1.105 307 F HN 0.113 nan 8.300 nan 0.000 0.536 308 D N 4.760 124.634 120.400 -0.876 0.000 2.879 308 D HA 0.087 4.734 4.640 0.012 0.000 0.236 308 D C 0.422 176.237 176.300 -0.809 0.000 1.171 308 D CA -0.377 53.301 54.000 -0.537 0.000 0.868 308 D CB 2.621 43.298 40.800 -0.206 0.000 1.598 308 D HN 0.505 nan 8.370 nan 0.000 0.497 309 V N 3.865 123.373 119.914 -0.677 0.000 2.568 309 V HA -0.199 3.929 4.120 0.012 0.000 0.253 309 V C 2.108 178.043 176.094 -0.265 0.000 1.072 309 V CA 2.713 64.697 62.300 -0.528 0.000 1.084 309 V CB -0.391 31.054 31.823 -0.630 0.000 0.676 309 V HN 0.685 nan 8.190 nan 0.000 0.469 310 A N -0.626 122.078 122.820 -0.194 0.000 2.019 310 A HA -0.186 4.141 4.320 0.012 0.000 0.219 310 A C 1.797 179.334 177.584 -0.077 0.000 1.164 310 A CA 1.780 53.767 52.037 -0.084 0.000 0.644 310 A CB -0.424 18.552 19.000 -0.041 0.000 0.805 310 A HN 0.667 nan 8.150 nan 0.000 0.449 311 D N -0.457 119.872 120.400 -0.119 0.000 2.339 311 D HA 0.136 4.783 4.640 0.012 0.000 0.217 311 D C 0.060 176.370 176.300 0.017 0.000 1.050 311 D CA 0.098 54.059 54.000 -0.064 0.000 0.856 311 D CB 0.203 40.962 40.800 -0.068 0.000 0.922 311 D HN 0.157 nan 8.370 nan 0.000 0.518 312 V N 3.694 123.618 119.914 0.017 0.000 2.521 312 V HA -0.001 4.126 4.120 0.012 0.000 0.286 312 V C 0.769 176.932 176.094 0.114 0.000 1.034 312 V CA -0.452 61.935 62.300 0.144 0.000 1.045 312 V CB 0.575 32.511 31.823 0.188 0.000 0.974 312 V HN 0.242 nan 8.190 nan 0.000 0.480 313 N N 3.271 122.049 118.700 0.130 0.000 2.492 313 N HA 0.173 4.920 4.740 0.012 0.000 0.289 313 N C 0.442 176.021 175.510 0.113 0.000 1.133 313 N CA -0.269 52.834 53.050 0.088 0.000 0.961 313 N CB 1.730 40.247 38.487 0.049 0.000 1.186 313 N HN 0.584 nan 8.380 nan 0.000 0.493 314 S N -0.749 115.003 115.700 0.086 0.000 2.582 314 S HA 0.120 4.597 4.470 0.012 0.000 0.234 314 S C 0.080 174.722 174.600 0.070 0.000 0.961 314 S CA -0.736 57.517 58.200 0.088 0.000 0.953 314 S CB -0.429 62.819 63.200 0.081 0.000 0.800 314 S HN 0.497 nan 8.310 nan 0.000 0.471 315 S N 3.875 119.613 115.700 0.064 0.000 2.584 315 S HA 0.330 4.807 4.470 0.012 0.000 0.270 315 S C -2.484 172.154 174.600 0.063 0.000 1.346 315 S CA -0.747 57.484 58.200 0.053 0.000 1.018 315 S CB -0.230 62.996 63.200 0.043 0.000 0.899 315 S HN 0.295 nan 8.310 nan 0.000 0.542 316 P HA 0.122 nan 4.420 nan 0.000 0.260 316 P C -1.145 176.198 177.300 0.073 0.000 1.185 316 P CA 0.132 63.270 63.100 0.063 0.000 0.763 316 P CB 0.039 31.772 31.700 0.056 0.000 0.776 317 A N 4.330 127.201 122.820 0.084 0.000 2.880 317 A HA 0.291 4.618 4.320 0.012 0.000 0.328 317 A C 0.422 178.077 177.584 0.118 0.000 1.440 317 A CA -0.588 51.504 52.037 0.091 0.000 1.068 317 A CB -0.360 18.693 19.000 0.088 0.000 1.163 317 A HN 0.461 nan 8.150 nan 0.000 0.510 318 R N 1.955 122.528 120.500 0.122 0.000 2.265 318 R HA 0.374 4.721 4.340 0.012 0.000 0.314 318 R C -0.939 175.496 176.300 0.225 0.000 1.053 318 R CA -0.468 55.730 56.100 0.163 0.000 0.931 318 R CB 0.335 30.713 30.300 0.131 0.000 1.024 318 R HN 0.510 nan 8.270 nan 0.000 0.457 319 F N 3.870 123.909 119.950 0.149 0.000 2.543 319 F HA 0.060 4.594 4.527 0.012 0.000 0.375 319 F C -0.110 175.793 175.800 0.173 0.000 1.075 319 F CA 0.486 58.615 58.000 0.216 0.000 1.225 319 F CB 0.646 39.743 39.000 0.161 0.000 1.099 319 F HN 0.506 nan 8.300 nan 0.000 0.561 320 D N 5.349 125.704 120.400 -0.075 0.000 2.440 320 D HA 0.117 4.764 4.640 0.012 0.000 0.252 320 D C 0.670 176.790 176.300 -0.300 0.000 1.180 320 D CA -0.365 53.599 54.000 -0.059 0.000 0.894 320 D CB 1.411 42.214 40.800 0.005 0.000 1.111 320 D HN 0.614 nan 8.370 nan 0.000 0.544 321 Q N 3.264 123.041 119.800 -0.038 0.000 2.135 321 Q HA -0.160 4.188 4.340 0.012 0.000 0.204 321 Q C 1.307 177.272 176.000 -0.057 0.000 0.981 321 Q CA 1.781 57.586 55.803 0.004 0.000 0.856 321 Q CB 0.201 29.062 28.738 0.204 0.000 0.902 321 Q HN 0.454 nan 8.270 nan 0.000 0.425 322 K N -0.348 120.029 120.400 -0.037 0.000 2.026 322 K HA -0.187 4.140 4.320 0.012 0.000 0.208 322 K C 2.065 178.623 176.600 -0.070 0.000 1.048 322 K CA 1.477 57.748 56.287 -0.026 0.000 0.929 322 K CB -0.146 32.353 32.500 -0.002 0.000 0.713 322 K HN -0.018 nan 8.250 nan 0.000 0.439 323 K N 1.298 121.623 120.400 -0.124 0.000 2.057 323 K HA -0.087 4.240 4.320 0.012 0.000 0.207 323 K C 1.871 178.329 176.600 -0.238 0.000 1.049 323 K CA 1.512 57.728 56.287 -0.119 0.000 0.931 323 K CB -0.361 32.130 32.500 -0.016 0.000 0.714 323 K HN 0.141 nan 8.250 nan 0.000 0.440 324 A N 0.896 123.351 122.820 -0.609 0.000 1.902 324 A HA -0.163 4.164 4.320 0.012 0.000 0.217 324 A C 1.761 179.358 177.584 0.022 0.000 1.181 324 A CA 2.045 53.734 52.037 -0.580 0.000 0.623 324 A CB -0.784 17.669 19.000 -0.913 0.000 0.818 324 A HN 0.421 nan 8.150 nan 0.000 0.443 325 D N 0.127 120.551 120.400 0.040 0.000 2.117 325 D HA -0.049 4.599 4.640 0.012 0.000 0.197 325 D C 2.214 178.467 176.300 -0.077 0.000 0.987 325 D CA 1.559 55.547 54.000 -0.019 0.000 0.829 325 D CB -0.454 40.353 40.800 0.012 0.000 0.961 325 D HN 0.422 nan 8.370 nan 0.000 0.460 326 A N 0.462 123.254 122.820 -0.046 0.000 1.902 326 A HA -0.114 4.213 4.320 0.012 0.000 0.217 326 A C 2.354 179.923 177.584 -0.024 0.000 1.181 326 A CA 0.917 52.932 52.037 -0.037 0.000 0.623 326 A CB -0.763 18.224 19.000 -0.022 0.000 0.818 326 A HN 0.210 nan 8.150 nan 0.000 0.443 327 L N -0.688 120.543 121.223 0.012 0.000 2.093 327 L HA -0.190 4.157 4.340 0.012 0.000 0.208 327 L C 2.488 179.424 176.870 0.111 0.000 1.085 327 L CA 1.576 56.462 54.840 0.077 0.000 0.755 327 L CB -0.546 41.595 42.059 0.136 0.000 0.904 327 L HN 0.500 nan 8.230 nan 0.000 0.435 328 N N 0.128 118.837 118.700 0.014 0.000 2.120 328 N HA -0.182 4.565 4.740 0.012 0.000 0.188 328 N C 1.796 177.261 175.510 -0.074 0.000 1.024 328 N CA 1.470 54.470 53.050 -0.084 0.000 0.852 328 N CB -0.040 38.130 38.487 -0.527 0.000 1.003 328 N HN 0.295 nan 8.380 nan 0.000 0.424 329 A N 0.629 123.386 122.820 -0.105 0.000 1.902 329 A HA -0.118 4.210 4.320 0.012 0.000 0.217 329 A C 2.030 179.562 177.584 -0.088 0.000 1.181 329 A CA 1.317 53.295 52.037 -0.098 0.000 0.623 329 A CB -0.530 18.416 19.000 -0.091 0.000 0.818 329 A HN 0.299 nan 8.150 nan 0.000 0.443 330 E N -0.218 119.934 120.200 -0.080 0.000 2.077 330 E HA -0.184 4.174 4.350 0.012 0.000 0.193 330 E C 1.868 178.357 176.600 -0.186 0.000 0.989 330 E CA 1.233 57.550 56.400 -0.137 0.000 0.800 330 E CB -0.589 29.014 29.700 -0.161 0.000 0.746 330 E HN 0.737 nan 8.360 nan 0.000 0.452 331 H N 0.289 119.316 119.070 -0.072 0.000 2.387 331 H HA -0.010 4.553 4.556 0.012 0.000 0.299 331 H C 2.401 177.691 175.328 -0.063 0.000 1.090 331 H CA 0.885 56.897 56.048 -0.059 0.000 1.332 331 H CB -0.062 29.671 29.762 -0.047 0.000 1.386 331 H HN 0.145 nan 8.280 nan 0.000 0.516 332 I N 0.705 121.285 120.570 0.018 0.000 2.163 332 I HA -0.289 3.888 4.170 0.012 0.000 0.243 332 I C 2.554 178.559 176.117 -0.186 0.000 1.085 332 I CA 1.262 62.528 61.300 -0.057 0.000 1.347 332 I CB -0.151 37.800 38.000 -0.082 0.000 1.044 332 I HN 0.147 nan 8.210 nan 0.000 0.408 333 R N -0.043 120.347 120.500 -0.184 0.000 2.189 333 R HA -0.096 4.251 4.340 0.012 0.000 0.223 333 R C 2.180 178.390 176.300 -0.150 0.000 1.092 333 R CA 1.151 57.131 56.100 -0.200 0.000 0.989 333 R CB -0.224 29.978 30.300 -0.163 0.000 0.876 333 R HN 0.383 nan 8.270 nan 0.000 0.457 334 M N 0.527 120.057 119.600 -0.116 0.000 2.419 334 M HA 0.013 4.500 4.480 0.012 0.000 0.264 334 M C 0.411 176.692 176.300 -0.032 0.000 1.082 334 M CA 0.644 55.897 55.300 -0.079 0.000 1.119 334 M CB 0.127 32.671 32.600 -0.094 0.000 1.398 334 M HN 0.021 nan 8.290 nan 0.000 0.453 335 L N 1.861 123.076 121.223 -0.014 0.000 2.506 335 L HA -0.054 4.293 4.340 0.012 0.000 0.281 335 L C 0.274 177.159 176.870 0.025 0.000 1.228 335 L CA -0.243 54.617 54.840 0.033 0.000 0.850 335 L CB -0.292 41.824 42.059 0.095 0.000 1.110 335 L HN 0.286 nan 8.230 nan 0.000 0.496 336 D N 1.024 121.456 120.400 0.052 0.000 2.399 336 D HA 0.113 4.760 4.640 0.012 0.000 0.241 336 D C 0.918 177.279 176.300 0.101 0.000 1.133 336 D CA -0.676 53.356 54.000 0.053 0.000 0.890 336 D CB 1.170 41.999 40.800 0.048 0.000 1.201 336 D HN 0.236 nan 8.370 nan 0.000 0.432 337 V N 2.983 122.951 119.914 0.090 0.000 2.392 337 V HA -0.145 3.982 4.120 0.012 0.000 0.249 337 V C 2.485 178.685 176.094 0.177 0.000 1.059 337 V CA 2.092 64.483 62.300 0.151 0.000 1.051 337 V CB -1.281 30.600 31.823 0.098 0.000 0.658 337 V HN 0.865 nan 8.190 nan 0.000 0.455 338 G N -0.137 108.731 108.800 0.113 0.000 2.418 338 G HA2 -0.328 3.640 3.960 0.012 0.000 0.217 338 G HA3 -0.328 3.640 3.960 0.012 0.000 0.217 338 G C 1.368 176.331 174.900 0.104 0.000 1.158 338 G CA 1.141 46.298 45.100 0.095 0.000 0.771 338 G HN 0.533 nan 8.290 nan 0.000 0.545 339 D N -0.102 120.369 120.400 0.117 0.000 2.084 339 D HA -0.138 4.509 4.640 0.012 0.000 0.194 339 D C 2.099 178.490 176.300 0.152 0.000 0.990 339 D CA 0.613 54.683 54.000 0.116 0.000 0.826 339 D CB -0.423 40.444 40.800 0.110 0.000 0.971 339 D HN 0.183 nan 8.370 nan 0.000 0.453 340 F N 1.182 121.164 119.950 0.052 0.000 2.095 340 F HA -0.205 4.329 4.527 0.012 0.000 0.298 340 F C 2.332 178.192 175.800 0.099 0.000 1.104 340 F CA 2.038 60.074 58.000 0.060 0.000 1.232 340 F CB -0.864 38.157 39.000 0.034 0.000 0.987 340 F HN -0.077 nan 8.300 nan 0.000 0.475 341 T N 0.297 114.822 114.554 -0.048 0.000 2.684 341 T HA -0.179 4.178 4.350 0.012 0.000 0.267 341 T C 2.196 176.911 174.700 0.026 0.000 1.036 341 T CA 1.798 63.860 62.100 -0.064 0.000 1.148 341 T CB -0.722 68.195 68.868 0.081 0.000 0.863 341 T HN 0.157 nan 8.240 nan 0.000 0.436 342 V N 1.460 121.396 119.914 0.036 0.000 2.295 342 V HA -0.181 3.947 4.120 0.012 0.000 0.246 342 V C 2.630 178.737 176.094 0.022 0.000 1.049 342 V CA 1.655 63.978 62.300 0.038 0.000 1.024 342 V CB -0.548 31.302 31.823 0.044 0.000 0.648 342 V HN 0.401 nan 8.190 nan 0.000 0.447 343 R N -0.604 119.904 120.500 0.013 0.000 2.091 343 R HA -0.176 4.172 4.340 0.012 0.000 0.238 343 R C 2.231 178.549 176.300 0.029 0.000 1.136 343 R CA 1.628 57.754 56.100 0.044 0.000 0.959 343 R CB -0.558 29.784 30.300 0.071 0.000 0.856 343 R HN 0.373 nan 8.270 nan 0.000 0.437 344 L N 1.082 122.234 121.223 -0.119 0.000 2.044 344 L HA -0.109 4.239 4.340 0.012 0.000 0.205 344 L C 2.537 179.482 176.870 0.126 0.000 1.075 344 L CA 1.599 56.394 54.840 -0.075 0.000 0.747 344 L CB -0.406 41.417 42.059 -0.394 0.000 0.903 344 L HN -0.002 nan 8.230 nan 0.000 0.435 345 R N -0.539 120.002 120.500 0.068 0.000 2.083 345 R HA -0.198 4.149 4.340 0.012 0.000 0.237 345 R C 1.901 178.148 176.300 -0.087 0.000 1.137 345 R CA 2.115 58.061 56.100 -0.256 0.000 0.951 345 R CB -0.394 29.673 30.300 -0.388 0.000 0.851 345 R HN 0.399 nan 8.270 nan 0.000 0.434 346 D N -0.599 119.800 120.400 -0.002 0.000 2.117 346 D HA -0.192 4.455 4.640 0.012 0.000 0.197 346 D C 1.833 178.192 176.300 0.098 0.000 0.987 346 D CA 1.094 55.113 54.000 0.033 0.000 0.829 346 D CB -0.519 40.314 40.800 0.054 0.000 0.961 346 D HN 0.389 nan 8.370 nan 0.000 0.460 347 H N 0.718 119.844 119.070 0.093 0.000 2.290 347 H HA -0.063 4.501 4.556 0.012 0.000 0.298 347 H C 2.345 177.803 175.328 0.217 0.000 1.087 347 H CA 1.102 57.249 56.048 0.165 0.000 1.291 347 H CB -0.225 29.586 29.762 0.082 0.000 1.369 347 H HN 0.108 nan 8.280 nan 0.000 0.492 348 L N 0.413 121.773 121.223 0.227 0.000 2.017 348 L HA -0.192 4.156 4.340 0.012 0.000 0.208 348 L C 2.493 179.426 176.870 0.105 0.000 1.073 348 L CA 1.407 56.375 54.840 0.213 0.000 0.745 348 L CB -0.427 41.794 42.059 0.270 0.000 0.894 348 L HN 0.208 nan 8.230 nan 0.000 0.432 349 D N -0.371 120.061 120.400 0.054 0.000 2.104 349 D HA -0.172 4.475 4.640 0.012 0.000 0.194 349 D C 2.162 178.418 176.300 -0.074 0.000 0.994 349 D CA 2.091 56.096 54.000 0.009 0.000 0.830 349 D CB -0.356 40.432 40.800 -0.020 0.000 0.959 349 D HN 0.391 nan 8.370 nan 0.000 0.452 350 T N -2.558 111.938 114.554 -0.097 0.000 3.148 350 T HA -0.039 4.318 4.350 0.012 0.000 0.253 350 T C 0.812 175.222 174.700 -0.484 0.000 1.134 350 T CA 0.465 62.419 62.100 -0.245 0.000 1.051 350 T CB -0.286 68.432 68.868 -0.250 0.000 0.959 350 T HN 0.136 nan 8.240 nan 0.000 0.525 351 H N 0.403 119.285 119.070 -0.315 0.000 2.486 351 H HA 0.517 5.080 4.556 0.012 0.000 0.284 351 H C 1.544 176.541 175.328 -0.552 0.000 1.103 351 H CA -0.437 55.363 56.048 -0.414 0.000 1.089 351 H CB 0.117 29.605 29.762 -0.456 0.000 1.603 351 H HN 0.416 nan 8.280 nan 0.000 0.557 352 G N 1.025 109.632 108.800 -0.322 0.000 2.305 352 G HA2 -0.354 3.613 3.960 0.012 0.000 0.287 352 G HA3 -0.354 3.613 3.960 0.012 0.000 0.287 352 G C 0.048 174.728 174.900 -0.367 0.000 1.036 352 G CA 0.440 45.360 45.100 -0.300 0.000 0.887 352 G HN 0.723 nan 8.290 nan 0.000 0.505 353 H N -1.334 117.561 119.070 -0.293 0.000 2.505 353 H HA 0.214 4.777 4.556 0.012 0.000 0.260 353 H C 0.835 176.194 175.328 0.052 0.000 1.168 353 H CA -0.779 54.958 56.048 -0.519 0.000 0.945 353 H CB 0.349 29.713 29.762 -0.665 0.000 1.800 353 H HN 0.535 nan 8.280 nan 0.000 0.586 354 H N 1.534 120.666 119.070 0.104 0.000 3.140 354 H HA -0.076 4.487 4.556 0.012 0.000 0.316 354 H C -0.089 175.411 175.328 0.286 0.000 0.986 354 H CA 0.258 56.380 56.048 0.123 0.000 1.397 354 H CB 0.327 30.117 29.762 0.046 0.000 1.377 354 H HN 0.301 nan 8.280 nan 0.000 0.585 355 I N 4.443 124.856 120.570 -0.263 0.000 2.353 355 I HA 0.171 4.348 4.170 0.012 0.000 0.293 355 I C 0.675 176.493 176.117 -0.498 0.000 0.992 355 I CA -0.609 60.596 61.300 -0.158 0.000 1.268 355 I CB 0.929 39.002 38.000 0.122 0.000 1.387 355 I HN 0.781 nan 8.210 nan 0.000 0.478 356 A N 8.397 131.100 122.820 -0.195 0.000 3.077 356 A HA 0.494 4.821 4.320 0.012 0.000 0.255 356 A C -0.008 177.516 177.584 -0.100 0.000 1.728 356 A CA 0.020 51.996 52.037 -0.102 0.000 1.383 356 A CB -0.699 18.322 19.000 0.035 0.000 1.097 356 A HN 0.641 nan 8.150 nan 0.000 0.634 357 L N 0.673 121.807 121.223 -0.149 0.000 2.422 357 L HA 0.365 4.712 4.340 0.012 0.000 0.264 357 L C -0.463 176.389 176.870 -0.030 0.000 0.984 357 L CA -1.209 53.560 54.840 -0.118 0.000 0.819 357 L CB 2.241 44.178 42.059 -0.204 0.000 1.330 357 L HN 0.585 nan 8.230 nan 0.000 0.410 358 D N 0.370 120.766 120.400 -0.007 0.000 2.393 358 D HA 0.008 4.656 4.640 0.012 0.000 0.246 358 D C 0.692 177.022 176.300 0.051 0.000 1.275 358 D CA -0.187 53.828 54.000 0.025 0.000 0.979 358 D CB 0.758 41.570 40.800 0.020 0.000 1.101 358 D HN 0.528 nan 8.370 nan 0.000 0.505 359 E N -0.486 119.743 120.200 0.048 0.000 2.051 359 E HA -0.189 4.169 4.350 0.012 0.000 0.192 359 E C 1.973 178.633 176.600 0.100 0.000 0.991 359 E CA 1.413 57.855 56.400 0.069 0.000 0.799 359 E CB -0.250 29.473 29.700 0.039 0.000 0.748 359 E HN 0.608 nan 8.360 nan 0.000 0.449 360 A N 1.265 124.120 122.820 0.059 0.000 1.969 360 A HA -0.014 4.313 4.320 0.012 0.000 0.218 360 A C 2.328 179.928 177.584 0.026 0.000 1.169 360 A CA 1.431 53.495 52.037 0.045 0.000 0.635 360 A CB -0.364 18.654 19.000 0.030 0.000 0.810 360 A HN 0.278 nan 8.150 nan 0.000 0.445 361 A N -1.173 121.654 122.820 0.012 0.000 1.930 361 A HA -0.003 4.324 4.320 0.012 0.000 0.217 361 A C 2.001 179.525 177.584 -0.099 0.000 1.175 361 A CA 1.462 53.469 52.037 -0.050 0.000 0.627 361 A CB -0.664 18.286 19.000 -0.084 0.000 0.815 361 A HN 0.654 nan 8.150 nan 0.000 0.443 362 F N 1.054 120.911 119.950 -0.155 0.000 2.186 362 F HA -0.014 4.520 4.527 0.012 0.000 0.299 362 F C 2.447 178.190 175.800 -0.094 0.000 1.090 362 F CA 0.966 58.867 58.000 -0.165 0.000 1.307 362 F CB -0.350 38.573 39.000 -0.129 0.000 1.019 362 F HN 0.245 nan 8.300 nan 0.000 0.489 363 A N 0.562 123.378 122.820 -0.005 0.000 1.908 363 A HA -0.110 4.217 4.320 0.012 0.000 0.218 363 A C 2.445 179.962 177.584 -0.112 0.000 1.181 363 A CA 1.915 53.927 52.037 -0.043 0.000 0.627 363 A CB -1.592 17.438 19.000 0.050 0.000 0.818 363 A HN 0.501 nan 8.150 nan 0.000 0.445 364 A N -0.196 122.567 122.820 -0.096 0.000 1.902 364 A HA 0.139 4.466 4.320 0.012 0.000 0.217 364 A C 2.514 180.030 177.584 -0.114 0.000 1.181 364 A CA 2.206 54.197 52.037 -0.077 0.000 0.623 364 A CB -1.036 17.935 19.000 -0.049 0.000 0.818 364 A HN 1.099 nan 8.150 nan 0.000 0.443 365 A N -0.270 122.414 122.820 -0.227 0.000 1.930 365 A HA 0.195 4.522 4.320 0.012 0.000 0.217 365 A C 2.482 179.928 177.584 -0.230 0.000 1.175 365 A CA 1.968 53.871 52.037 -0.222 0.000 0.627 365 A CB -0.939 17.822 19.000 -0.399 0.000 0.815 365 A HN 1.041 nan 8.150 nan 0.000 0.443 366 A N -0.272 122.296 122.820 -0.420 0.000 1.902 366 A HA -0.185 4.142 4.320 0.012 0.000 0.217 366 A C 2.000 179.651 177.584 0.111 0.000 1.181 366 A CA 1.829 53.725 52.037 -0.235 0.000 0.623 366 A CB -0.550 18.205 19.000 -0.408 0.000 0.818 366 A HN 0.667 nan 8.150 nan 0.000 0.443 367 E N 0.026 120.247 120.200 0.035 0.000 2.085 367 E HA -0.179 4.178 4.350 0.012 0.000 0.194 367 E C 1.804 178.419 176.600 0.026 0.000 0.994 367 E CA 1.255 57.688 56.400 0.055 0.000 0.801 367 E CB -0.264 29.448 29.700 0.021 0.000 0.743 367 E HN 0.642 nan 8.360 nan 0.000 0.453 368 L N 0.400 121.633 121.223 0.016 0.000 2.265 368 L HA -0.119 4.228 4.340 0.012 0.000 0.215 368 L C 2.186 179.074 176.870 0.029 0.000 1.117 368 L CA 0.801 55.655 54.840 0.023 0.000 0.782 368 L CB -0.216 41.871 42.059 0.047 0.000 0.914 368 L HN 0.244 nan 8.230 nan 0.000 0.441 369 V N -5.315 114.633 119.914 0.057 0.000 3.528 369 V HA 0.073 4.200 4.120 0.012 0.000 0.294 369 V C 1.851 177.962 176.094 0.030 0.000 1.404 369 V CA -0.007 62.333 62.300 0.067 0.000 1.065 369 V CB 0.248 32.139 31.823 0.113 0.000 0.904 369 V HN 0.308 nan 8.190 nan 0.000 0.435 370 Q N 2.249 122.007 119.800 -0.070 0.000 2.181 370 Q HA -0.192 4.156 4.340 0.012 0.000 0.205 370 Q C 2.003 177.802 176.000 -0.334 0.000 0.980 370 Q CA 2.384 57.898 55.803 -0.481 0.000 0.862 370 Q CB -0.071 28.241 28.738 -0.709 0.000 0.905 370 Q HN 0.879 nan 8.270 nan 0.000 0.429 371 T N -3.353 111.094 114.554 -0.180 0.000 3.144 371 T HA 0.191 4.548 4.350 0.012 0.000 0.249 371 T C 0.723 175.373 174.700 -0.085 0.000 1.089 371 T CA -0.266 61.754 62.100 -0.133 0.000 0.989 371 T CB 0.176 68.983 68.868 -0.102 0.000 0.992 371 T HN 0.174 nan 8.240 nan 0.000 0.540 372 R N 1.156 121.621 120.500 -0.059 0.000 2.629 372 R HA 0.496 4.843 4.340 0.012 0.000 0.408 372 R C -0.059 176.235 176.300 -0.011 0.000 1.057 372 R CA -0.273 55.809 56.100 -0.029 0.000 1.119 372 R CB 0.407 30.699 30.300 -0.014 0.000 1.403 372 R HN 0.623 nan 8.270 nan 0.000 0.576 373 I N -3.574 116.985 120.570 -0.019 0.000 2.828 373 I HA 0.425 4.602 4.170 0.012 0.000 0.302 373 I C 0.965 177.058 176.117 -0.039 0.000 1.101 373 I CA -1.197 60.102 61.300 -0.002 0.000 1.031 373 I CB 2.094 40.125 38.000 0.052 0.000 1.231 373 I HN -0.137 nan 8.210 nan 0.000 0.427 374 V N 2.131 122.016 119.914 -0.048 0.000 2.949 374 V HA 0.235 4.362 4.120 0.012 0.000 0.245 374 V C 0.653 176.641 176.094 -0.177 0.000 1.086 374 V CA 0.932 63.170 62.300 -0.103 0.000 1.097 374 V CB 0.112 31.884 31.823 -0.086 0.000 0.762 374 V HN 0.727 nan 8.190 nan 0.000 0.470 375 V N -3.252 116.588 119.914 -0.122 0.000 3.078 375 V HA 0.533 4.660 4.120 0.012 0.000 0.311 375 V C 0.966 177.013 176.094 -0.078 0.000 1.138 375 V CA -0.740 61.462 62.300 -0.164 0.000 1.007 375 V CB 1.818 33.556 31.823 -0.142 0.000 1.045 375 V HN 0.138 nan 8.190 nan 0.000 0.432 376 L N 1.559 122.690 121.223 -0.153 0.000 2.083 376 L HA 0.007 4.354 4.340 0.012 0.000 0.209 376 L C 2.591 179.413 176.870 -0.079 0.000 1.083 376 L CA 2.166 56.911 54.840 -0.159 0.000 0.752 376 L CB -0.673 41.130 42.059 -0.427 0.000 0.899 376 L HN 1.036 nan 8.230 nan 0.000 0.433 377 G N -0.340 108.399 108.800 -0.102 0.000 2.432 377 G HA2 -0.251 3.717 3.960 0.012 0.000 0.219 377 G HA3 -0.251 3.717 3.960 0.012 0.000 0.219 377 G C 1.062 176.081 174.900 0.199 0.000 1.135 377 G CA 0.721 45.918 45.100 0.162 0.000 0.767 377 G HN 0.317 nan 8.290 nan 0.000 0.550 378 D N 0.940 121.417 120.400 0.128 0.000 2.265 378 D HA -0.024 4.623 4.640 0.012 0.000 0.208 378 D C 2.635 179.026 176.300 0.151 0.000 0.977 378 D CA 0.948 55.026 54.000 0.128 0.000 0.871 378 D CB -0.248 40.598 40.800 0.077 0.000 0.925 378 D HN 0.351 nan 8.370 nan 0.000 0.485 379 A N 0.539 123.468 122.820 0.182 0.000 2.015 379 A HA -0.150 4.178 4.320 0.012 0.000 0.219 379 A C 2.054 179.773 177.584 0.225 0.000 1.163 379 A CA 0.723 52.877 52.037 0.194 0.000 0.646 379 A CB -1.056 18.073 19.000 0.214 0.000 0.806 379 A HN 0.482 nan 8.150 nan 0.000 0.448 380 W N 1.076 122.410 121.300 0.057 0.000 2.333 380 W HA -0.190 4.477 4.660 0.012 0.000 0.316 380 W C 1.601 178.102 176.519 -0.030 0.000 1.215 380 W CA 1.998 59.318 57.345 -0.043 0.000 1.278 380 W CB -0.131 29.161 29.460 -0.280 0.000 1.154 380 W HN 0.390 nan 8.180 nan 0.000 0.486 381 E N 0.715 120.874 120.200 -0.069 0.000 2.153 381 E HA -0.178 4.179 4.350 0.012 0.000 0.194 381 E C 2.216 178.746 176.600 -0.116 0.000 0.988 381 E CA 1.395 57.685 56.400 -0.182 0.000 0.811 381 E CB -0.601 29.091 29.700 -0.014 0.000 0.746 381 E HN 0.475 nan 8.360 nan 0.000 0.466 382 L N -0.234 120.983 121.223 -0.010 0.000 2.240 382 L HA -0.023 4.324 4.340 0.012 0.000 0.211 382 L C 2.169 179.135 176.870 0.161 0.000 1.106 382 L CA 0.554 55.435 54.840 0.068 0.000 0.793 382 L CB -0.055 42.057 42.059 0.089 0.000 0.927 382 L HN 0.047 nan 8.230 nan 0.000 0.446 383 L N -0.448 120.800 121.223 0.041 0.000 2.701 383 L HA 0.050 4.397 4.340 0.012 0.000 0.238 383 L C 2.256 178.985 176.870 -0.236 0.000 1.106 383 L CA 0.039 54.881 54.840 0.002 0.000 0.898 383 L CB -0.004 42.126 42.059 0.118 0.000 1.188 383 L HN 0.212 nan 8.230 nan 0.000 0.508 384 K N 1.177 121.324 120.400 -0.422 0.000 2.360 384 K HA -0.169 4.158 4.320 0.012 0.000 0.201 384 K C 1.869 178.272 176.600 -0.330 0.000 1.046 384 K CA 1.346 57.234 56.287 -0.665 0.000 0.945 384 K CB -0.562 31.028 32.500 -1.516 0.000 0.750 384 K HN 0.363 nan 8.250 nan 0.000 0.464 385 F N -0.220 119.583 119.950 -0.245 0.000 2.408 385 F HA 0.041 4.575 4.527 0.012 0.000 0.300 385 F C 1.197 176.887 175.800 -0.184 0.000 1.090 385 F CA 0.268 58.169 58.000 -0.164 0.000 1.427 385 F CB -0.579 38.305 39.000 -0.193 0.000 1.070 385 F HN -0.193 nan 8.300 nan 0.000 0.549 386 F N 1.000 120.501 119.950 -0.748 0.000 2.502 386 F HA 0.009 4.543 4.527 0.012 0.000 0.298 386 F C 0.420 176.102 175.800 -0.197 0.000 1.111 386 F CA 0.345 58.051 58.000 -0.490 0.000 1.445 386 F CB -0.851 37.844 39.000 -0.508 0.000 1.081 386 F HN -0.060 nan 8.300 nan 0.000 0.558 387 N N 0.735 119.443 118.700 0.013 0.000 2.426 387 N HA 0.050 4.797 4.740 0.012 0.000 0.257 387 N C 0.627 176.188 175.510 0.084 0.000 1.002 387 N CA -0.138 52.950 53.050 0.062 0.000 0.942 387 N CB 0.646 39.184 38.487 0.084 0.000 1.112 387 N HN -0.057 nan 8.380 nan 0.000 0.499 388 D N 0.538 120.985 120.400 0.079 0.000 2.182 388 D HA -0.179 4.468 4.640 0.012 0.000 0.201 388 D C 1.052 177.435 176.300 0.139 0.000 0.986 388 D CA 1.231 55.285 54.000 0.090 0.000 0.847 388 D CB 0.084 40.917 40.800 0.055 0.000 0.942 388 D HN 0.652 nan 8.370 nan 0.000 0.467 389 D N -0.268 120.207 120.400 0.125 0.000 2.363 389 D HA -0.109 4.538 4.640 0.012 0.000 0.226 389 D C 1.336 177.717 176.300 0.134 0.000 1.020 389 D CA 0.538 54.614 54.000 0.127 0.000 0.892 389 D CB 0.003 40.876 40.800 0.121 0.000 0.900 389 D HN 0.130 nan 8.370 nan 0.000 0.531 390 Q N -0.616 119.262 119.800 0.130 0.000 2.353 390 Q HA 0.037 4.384 4.340 0.012 0.000 0.240 390 Q C -0.020 176.026 176.000 0.078 0.000 0.868 390 Q CA -0.300 55.554 55.803 0.085 0.000 0.944 390 Q CB 0.022 28.755 28.738 -0.008 0.000 1.104 390 Q HN 0.470 nan 8.270 nan 0.000 0.531 391 Y N 1.846 122.146 120.300 0.001 0.000 2.526 391 Y HA 0.260 4.817 4.550 0.012 0.000 0.330 391 Y C -0.552 175.351 175.900 0.004 0.000 1.156 391 Y CA -0.358 57.747 58.100 0.008 0.000 1.419 391 Y CB 0.615 39.093 38.460 0.030 0.000 1.250 391 Y HN -0.186 nan 8.280 nan 0.000 0.540 392 V N 8.311 127.837 119.914 -0.646 0.000 2.817 392 V HA 0.385 4.513 4.120 0.012 0.000 0.303 392 V C -1.050 174.674 176.094 -0.618 0.000 1.151 392 V CA -1.004 60.937 62.300 -0.599 0.000 0.929 392 V CB 1.666 33.345 31.823 -0.240 0.000 1.030 392 V HN 0.791 nan 8.190 nan 0.000 0.427 393 I N 5.764 126.011 120.570 -0.537 0.000 2.363 393 I HA 0.205 4.382 4.170 0.012 0.000 0.292 393 I C 0.572 176.578 176.117 -0.185 0.000 1.075 393 I CA 0.034 61.150 61.300 -0.307 0.000 1.333 393 I CB 0.550 38.435 38.000 -0.191 0.000 1.415 393 I HN 0.675 nan 8.210 nan 0.000 0.502 394 D N 9.764 130.074 120.400 -0.151 0.000 2.502 394 D HA -0.029 4.618 4.640 0.012 0.000 0.249 394 D C -1.551 174.704 176.300 -0.076 0.000 1.188 394 D CA -0.964 52.975 54.000 -0.102 0.000 0.890 394 D CB 1.413 42.161 40.800 -0.087 0.000 1.140 394 D HN 0.276 nan 8.370 nan 0.000 0.505 395 P HA -0.111 nan 4.420 nan 0.000 0.220 395 P C 1.202 178.479 177.300 -0.038 0.000 1.148 395 P CA 0.979 64.050 63.100 -0.047 0.000 0.803 395 P CB 0.277 31.954 31.700 -0.038 0.000 0.782 396 K N -0.218 120.160 120.400 -0.037 0.000 2.116 396 K HA 0.007 4.334 4.320 0.012 0.000 0.203 396 K C 2.027 178.607 176.600 -0.033 0.000 1.052 396 K CA 1.017 57.286 56.287 -0.031 0.000 0.952 396 K CB -0.469 32.014 32.500 -0.028 0.000 0.729 396 K HN -0.059 nan 8.250 nan 0.000 0.446 397 A N 1.073 123.868 122.820 -0.042 0.000 1.933 397 A HA -0.124 4.204 4.320 0.012 0.000 0.218 397 A C 2.244 179.806 177.584 -0.038 0.000 1.175 397 A CA 1.880 53.891 52.037 -0.044 0.000 0.628 397 A CB -0.661 18.304 19.000 -0.058 0.000 0.814 397 A HN 0.451 nan 8.150 nan 0.000 0.444 398 A N -0.111 122.686 122.820 -0.039 0.000 1.840 398 A HA 0.230 4.557 4.320 0.012 0.000 0.214 398 A C 2.561 180.131 177.584 -0.023 0.000 1.198 398 A CA 2.022 54.041 52.037 -0.031 0.000 0.608 398 A CB -1.278 17.701 19.000 -0.035 0.000 0.839 398 A HN 1.120 nan 8.150 nan 0.000 0.443 399 A N -0.207 122.599 122.820 -0.023 0.000 1.903 399 A HA -0.276 4.051 4.320 0.012 0.000 0.219 399 A C 2.185 179.759 177.584 -0.018 0.000 1.191 399 A CA 2.368 54.394 52.037 -0.018 0.000 0.638 399 A CB -0.554 18.435 19.000 -0.018 0.000 0.823 399 A HN 0.555 nan 8.150 nan 0.000 0.451 400 K N -1.363 119.025 120.400 -0.020 0.000 2.025 400 K HA -0.126 4.201 4.320 0.012 0.000 0.207 400 K C 1.542 178.131 176.600 -0.020 0.000 1.049 400 K CA 1.488 57.763 56.287 -0.020 0.000 0.933 400 K CB -0.018 32.469 32.500 -0.022 0.000 0.714 400 K HN 0.372 nan 8.250 nan 0.000 0.438 401 E N -0.056 120.131 120.200 -0.021 0.000 2.389 401 E HA 0.074 4.431 4.350 0.012 0.000 0.199 401 E C 0.794 177.386 176.600 -0.014 0.000 0.978 401 E CA 0.317 56.705 56.400 -0.019 0.000 0.912 401 E CB 0.654 30.340 29.700 -0.022 0.000 0.907 401 E HN 0.277 nan 8.360 nan 0.000 0.494 402 L N 0.823 122.038 121.223 -0.012 0.000 3.094 402 L HA 0.359 4.707 4.340 0.012 0.000 0.254 402 L C 0.944 177.811 176.870 -0.006 0.000 1.298 402 L CA -0.557 54.279 54.840 -0.006 0.000 1.050 402 L CB 0.516 42.573 42.059 -0.004 0.000 1.420 402 L HN -0.084 nan 8.230 nan 0.000 0.548 403 G N 0.494 109.289 108.800 -0.009 0.000 2.611 403 G HA2 0.195 4.162 3.960 0.012 0.000 0.273 403 G HA3 0.195 4.162 3.960 0.012 0.000 0.273 403 G C -1.650 173.246 174.900 -0.006 0.000 1.305 403 G CA -0.745 44.350 45.100 -0.008 0.000 1.010 403 G HN 0.042 nan 8.290 nan 0.000 0.509 404 P HA -0.141 nan 4.420 nan 0.000 0.216 404 P C 1.260 178.557 177.300 -0.006 0.000 1.154 404 P CA 1.435 64.533 63.100 -0.004 0.000 0.865 404 P CB 0.195 31.892 31.700 -0.005 0.000 0.789 405 D N -1.080 119.314 120.400 -0.010 0.000 2.084 405 D HA -0.102 4.545 4.640 0.012 0.000 0.194 405 D C 2.289 178.580 176.300 -0.014 0.000 0.990 405 D CA 1.810 55.801 54.000 -0.014 0.000 0.826 405 D CB -1.080 39.709 40.800 -0.018 0.000 0.971 405 D HN 0.141 nan 8.370 nan 0.000 0.453 406 G N 0.978 109.770 108.800 -0.013 0.000 2.440 406 G HA2 -0.225 3.743 3.960 0.012 0.000 0.218 406 G HA3 -0.225 3.743 3.960 0.012 0.000 0.218 406 G C 1.745 176.644 174.900 -0.002 0.000 1.154 406 G CA 1.512 46.606 45.100 -0.010 0.000 0.767 406 G HN 0.392 nan 8.290 nan 0.000 0.552 407 A N 1.323 124.143 122.820 0.001 0.000 1.892 407 A HA 0.107 4.434 4.320 0.012 0.000 0.218 407 A C 2.850 180.438 177.584 0.007 0.000 1.188 407 A CA 2.620 54.660 52.037 0.006 0.000 0.631 407 A CB -0.933 18.070 19.000 0.005 0.000 0.822 407 A HN 0.925 nan 8.150 nan 0.000 0.447 408 A N -0.762 122.059 122.820 0.001 0.000 1.908 408 A HA -0.017 4.311 4.320 0.012 0.000 0.218 408 A C 2.247 179.831 177.584 0.001 0.000 1.181 408 A CA 1.859 53.897 52.037 0.000 0.000 0.627 408 A CB -0.942 18.054 19.000 -0.006 0.000 0.818 408 A HN 0.431 nan 8.150 nan 0.000 0.445 409 V N 0.334 120.245 119.914 -0.004 0.000 2.295 409 V HA -0.264 3.863 4.120 0.012 0.000 0.246 409 V C 2.559 178.664 176.094 0.019 0.000 1.049 409 V CA 1.926 64.224 62.300 -0.004 0.000 1.024 409 V CB -0.780 31.030 31.823 -0.021 0.000 0.648 409 V HN 0.586 nan 8.190 nan 0.000 0.447 410 L N -0.235 121.004 121.223 0.025 0.000 2.079 410 L HA -0.227 4.120 4.340 0.012 0.000 0.210 410 L C 2.358 179.253 176.870 0.041 0.000 1.081 410 L CA 1.710 56.574 54.840 0.040 0.000 0.752 410 L CB -0.898 41.183 42.059 0.037 0.000 0.896 410 L HN 0.348 nan 8.230 nan 0.000 0.433 411 D N 0.305 120.723 120.400 0.029 0.000 2.104 411 D HA -0.161 4.486 4.640 0.012 0.000 0.194 411 D C 2.234 178.553 176.300 0.032 0.000 0.994 411 D CA 1.613 55.629 54.000 0.028 0.000 0.830 411 D CB -0.035 40.776 40.800 0.018 0.000 0.959 411 D HN 0.310 nan 8.370 nan 0.000 0.452 412 A N 0.666 123.504 122.820 0.029 0.000 1.898 412 A HA 0.037 4.364 4.320 0.012 0.000 0.216 412 A C 2.270 179.883 177.584 0.049 0.000 1.181 412 A CA 2.051 54.106 52.037 0.030 0.000 0.620 412 A CB -0.746 18.264 19.000 0.018 0.000 0.819 412 A HN 0.225 nan 8.150 nan 0.000 0.442 413 A N -0.331 122.526 122.820 0.062 0.000 1.902 413 A HA -0.025 4.302 4.320 0.012 0.000 0.217 413 A C 2.170 179.815 177.584 0.101 0.000 1.181 413 A CA 1.438 53.531 52.037 0.093 0.000 0.623 413 A CB -0.591 18.479 19.000 0.116 0.000 0.818 413 A HN 0.458 nan 8.150 nan 0.000 0.443 414 L N -0.794 120.481 121.223 0.087 0.000 2.012 414 L HA -0.225 4.122 4.340 0.012 0.000 0.210 414 L C 3.099 180.018 176.870 0.082 0.000 1.073 414 L CA 1.231 56.123 54.840 0.088 0.000 0.748 414 L CB -0.417 41.680 42.059 0.064 0.000 0.891 414 L HN 0.446 nan 8.230 nan 0.000 0.431 415 A N -0.423 122.434 122.820 0.063 0.000 1.898 415 A HA -0.142 4.185 4.320 0.012 0.000 0.216 415 A C 2.514 180.136 177.584 0.064 0.000 1.181 415 A CA 1.507 53.577 52.037 0.055 0.000 0.620 415 A CB -0.737 18.287 19.000 0.039 0.000 0.819 415 A HN 0.412 nan 8.150 nan 0.000 0.442 416 A N 0.017 122.877 122.820 0.067 0.000 1.892 416 A HA -0.161 4.166 4.320 0.012 0.000 0.218 416 A C 2.128 179.766 177.584 0.089 0.000 1.188 416 A CA 1.754 53.831 52.037 0.067 0.000 0.631 416 A CB -0.724 18.318 19.000 0.070 0.000 0.822 416 A HN 0.491 nan 8.150 nan 0.000 0.447 417 L N 0.013 121.315 121.223 0.132 0.000 2.275 417 L HA -0.124 4.223 4.340 0.012 0.000 0.215 417 L C 2.825 179.834 176.870 0.232 0.000 1.119 417 L CA 1.494 56.463 54.840 0.215 0.000 0.790 417 L CB -0.713 41.547 42.059 0.335 0.000 0.919 417 L HN 0.679 nan 8.230 nan 0.000 0.443 418 T N -3.857 110.786 114.554 0.148 0.000 2.915 418 T HA -0.143 4.215 4.350 0.012 0.000 0.269 418 T C 1.907 176.669 174.700 0.102 0.000 1.071 418 T CA 1.096 63.265 62.100 0.115 0.000 1.132 418 T CB -0.396 68.515 68.868 0.071 0.000 0.878 418 T HN 0.406 nan 8.240 nan 0.000 0.479 419 S N 0.567 116.320 115.700 0.088 0.000 2.607 419 S HA 0.167 4.644 4.470 0.012 0.000 0.224 419 S C 0.614 175.256 174.600 0.069 0.000 0.969 419 S CA -0.514 57.725 58.200 0.065 0.000 0.927 419 S CB -0.709 62.517 63.200 0.043 0.000 0.772 419 S HN 0.344 nan 8.310 nan 0.000 0.533 420 V N 3.705 123.682 119.914 0.106 0.000 2.470 420 V HA 0.151 4.279 4.120 0.012 0.000 0.276 420 V C 1.867 178.035 176.094 0.124 0.000 1.040 420 V CA 0.503 62.858 62.300 0.092 0.000 1.008 420 V CB 0.615 32.502 31.823 0.106 0.000 0.990 420 V HN 0.712 nan 8.190 nan 0.000 0.477 421 T N 0.930 115.529 114.554 0.075 0.000 2.894 421 T HA -0.005 4.352 4.350 0.012 0.000 0.258 421 T C 0.468 175.226 174.700 0.098 0.000 1.043 421 T CA 0.563 62.707 62.100 0.074 0.000 1.141 421 T CB 0.111 69.004 68.868 0.042 0.000 0.873 421 T HN 0.574 nan 8.240 nan 0.000 0.449 422 D N -0.660 119.796 120.400 0.093 0.000 2.646 422 D HA 0.211 4.858 4.640 0.012 0.000 0.245 422 D C -1.755 174.640 176.300 0.159 0.000 1.099 422 D CA -0.897 53.173 54.000 0.117 0.000 0.849 422 D CB 1.195 42.033 40.800 0.064 0.000 1.448 422 D HN 0.313 nan 8.370 nan 0.000 0.489 423 W N 6.473 127.782 121.300 0.015 0.000 1.864 423 W HA 0.274 4.941 4.660 0.012 0.000 0.425 423 W C -0.856 175.679 176.519 0.026 0.000 0.791 423 W CA -0.343 57.016 57.345 0.023 0.000 1.650 423 W CB -0.041 29.435 29.460 0.027 0.000 1.791 423 W HN 0.409 nan 8.180 nan 0.000 0.266 424 T N -0.258 114.183 114.554 -0.188 0.000 2.916 424 T HA 0.576 4.933 4.350 0.012 0.000 0.292 424 T C 0.955 175.501 174.700 -0.256 0.000 1.055 424 T CA -0.154 61.851 62.100 -0.158 0.000 1.009 424 T CB 1.847 70.672 68.868 -0.071 0.000 1.118 424 T HN 0.162 nan 8.240 nan 0.000 0.497 425 A N 1.395 124.122 122.820 -0.156 0.000 1.883 425 A HA 0.120 4.447 4.320 0.012 0.000 0.217 425 A C -0.356 177.114 177.584 -0.190 0.000 1.186 425 A CA 1.432 53.392 52.037 -0.127 0.000 0.624 425 A CB -2.003 16.989 19.000 -0.013 0.000 0.822 425 A HN 0.731 nan 8.150 nan 0.000 0.444 426 P HA -0.110 nan 4.420 nan 0.000 0.217 426 P C 1.396 178.559 177.300 -0.229 0.000 1.150 426 P CA 0.877 63.863 63.100 -0.191 0.000 0.832 426 P CB -0.128 31.498 31.700 -0.124 0.000 0.787 427 L N -1.708 119.392 121.223 -0.205 0.000 2.131 427 L HA -0.058 4.289 4.340 0.012 0.000 0.206 427 L C 2.426 179.147 176.870 -0.249 0.000 1.087 427 L CA 0.895 55.621 54.840 -0.190 0.000 0.767 427 L CB -0.701 41.279 42.059 -0.133 0.000 0.917 427 L HN -0.103 nan 8.230 nan 0.000 0.441 428 I N 0.131 120.488 120.570 -0.355 0.000 2.163 428 I HA -0.329 3.848 4.170 0.012 0.000 0.243 428 I C 2.645 178.546 176.117 -0.360 0.000 1.085 428 I CA 1.540 62.606 61.300 -0.391 0.000 1.347 428 I CB -0.260 37.433 38.000 -0.511 0.000 1.044 428 I HN 0.329 nan 8.210 nan 0.000 0.408 429 E N 1.162 121.004 120.200 -0.596 0.000 2.058 429 E HA -0.283 4.075 4.350 0.012 0.000 0.194 429 E C 2.261 178.539 176.600 -0.536 0.000 0.997 429 E CA 1.565 57.307 56.400 -1.097 0.000 0.801 429 E CB -0.083 28.931 29.700 -1.144 0.000 0.746 429 E HN 0.492 nan 8.360 nan 0.000 0.450 430 A N 1.045 123.660 122.820 -0.342 0.000 1.902 430 A HA -0.097 4.230 4.320 0.012 0.000 0.217 430 A C 2.383 179.893 177.584 -0.124 0.000 1.181 430 A CA 1.866 53.786 52.037 -0.195 0.000 0.623 430 A CB -0.784 18.127 19.000 -0.148 0.000 0.818 430 A HN 0.433 nan 8.150 nan 0.000 0.443 431 A N -0.255 122.495 122.820 -0.118 0.000 1.877 431 A HA -0.022 4.305 4.320 0.012 0.000 0.216 431 A C 2.177 179.757 177.584 -0.007 0.000 1.186 431 A CA 1.505 53.513 52.037 -0.049 0.000 0.620 431 A CB -0.595 18.382 19.000 -0.039 0.000 0.822 431 A HN 0.465 nan 8.150 nan 0.000 0.443 432 L N -0.854 120.372 121.223 0.005 0.000 2.093 432 L HA -0.147 4.200 4.340 0.012 0.000 0.208 432 L C 2.564 179.533 176.870 0.166 0.000 1.085 432 L CA 1.417 56.335 54.840 0.131 0.000 0.755 432 L CB -0.411 41.809 42.059 0.268 0.000 0.904 432 L HN 0.336 nan 8.230 nan 0.000 0.435 433 K N -0.266 120.197 120.400 0.104 0.000 2.097 433 K HA -0.159 4.168 4.320 0.012 0.000 0.205 433 K C 1.688 178.315 176.600 0.045 0.000 1.050 433 K CA 1.073 57.430 56.287 0.117 0.000 0.938 433 K CB -0.143 32.387 32.500 0.051 0.000 0.718 433 K HN 0.302 nan 8.250 nan 0.000 0.442 434 D N 0.605 121.012 120.400 0.011 0.000 2.123 434 D HA -0.153 4.495 4.640 0.012 0.000 0.196 434 D C 1.756 178.062 176.300 0.010 0.000 0.992 434 D CA 1.387 55.389 54.000 0.003 0.000 0.833 434 D CB 0.200 40.996 40.800 -0.007 0.000 0.954 434 D HN 0.196 nan 8.370 nan 0.000 0.455 435 A N 0.252 123.084 122.820 0.021 0.000 1.903 435 A HA -0.037 4.290 4.320 0.012 0.000 0.213 435 A C 2.041 179.629 177.584 0.006 0.000 1.185 435 A CA 0.633 52.681 52.037 0.018 0.000 0.628 435 A CB -0.094 18.924 19.000 0.032 0.000 0.830 435 A HN 0.138 nan 8.150 nan 0.000 0.446 436 L N -0.524 120.704 121.223 0.008 0.000 2.357 436 L HA 0.130 4.477 4.340 0.012 0.000 0.211 436 L C 2.058 178.885 176.870 -0.072 0.000 1.075 436 L CA 0.896 55.709 54.840 -0.045 0.000 0.830 436 L CB -0.800 41.208 42.059 -0.085 0.000 0.996 436 L HN 0.266 nan 8.230 nan 0.000 0.467 437 I N -0.477 120.073 120.570 -0.034 0.000 2.726 437 I HA -0.057 4.120 4.170 0.012 0.000 0.243 437 I C 2.413 178.521 176.117 -0.014 0.000 1.082 437 I CA 0.761 62.044 61.300 -0.029 0.000 1.447 437 I CB -1.099 36.913 38.000 0.020 0.000 1.250 437 I HN 0.271 nan 8.210 nan 0.000 0.453 438 E N 1.319 121.518 120.200 -0.001 0.000 2.077 438 E HA -0.155 4.203 4.350 0.012 0.000 0.193 438 E C 2.083 178.679 176.600 -0.008 0.000 0.989 438 E CA 1.561 57.959 56.400 -0.003 0.000 0.800 438 E CB -0.105 29.594 29.700 -0.001 0.000 0.746 438 E HN 0.431 nan 8.360 nan 0.000 0.452 439 G N 1.238 110.034 108.800 -0.008 0.000 2.654 439 G HA2 -0.152 3.815 3.960 0.012 0.000 0.215 439 G HA3 -0.152 3.815 3.960 0.012 0.000 0.215 439 G C 1.427 176.318 174.900 -0.015 0.000 1.310 439 G CA 0.301 45.396 45.100 -0.009 0.000 0.866 439 G HN 0.224 nan 8.290 nan 0.000 0.558 440 L N 1.209 122.419 121.223 -0.022 0.000 2.622 440 L HA 0.228 4.575 4.340 0.012 0.000 0.233 440 L C 2.174 179.023 176.870 -0.035 0.000 1.156 440 L CA 0.389 55.212 54.840 -0.028 0.000 0.866 440 L CB -0.215 41.823 42.059 -0.034 0.000 0.980 440 L HN 0.495 nan 8.230 nan 0.000 0.448 441 A N -0.212 122.588 122.820 -0.034 0.000 2.790 441 A HA -0.237 4.090 4.320 0.012 0.000 0.277 441 A C 0.580 178.134 177.584 -0.050 0.000 1.435 441 A CA 0.587 52.603 52.037 -0.035 0.000 0.877 441 A CB -2.332 16.653 19.000 -0.025 0.000 1.007 441 A HN 0.356 nan 8.150 nan 0.000 0.613 442 L N -0.449 120.730 121.223 -0.074 0.000 2.483 442 L HA 0.113 4.460 4.340 0.012 0.000 0.276 442 L C 1.104 177.907 176.870 -0.111 0.000 1.213 442 L CA 0.173 54.952 54.840 -0.102 0.000 0.843 442 L CB 0.366 42.338 42.059 -0.146 0.000 1.107 442 L HN 0.352 nan 8.230 nan 0.000 0.487 443 K N 3.937 124.279 120.400 -0.098 0.000 2.382 443 K HA 0.069 4.396 4.320 0.012 0.000 0.275 443 K C -1.452 175.061 176.600 -0.145 0.000 1.009 443 K CA -1.298 54.939 56.287 -0.084 0.000 0.970 443 K CB 0.482 32.948 32.500 -0.057 0.000 0.934 443 K HN 0.363 nan 8.250 nan 0.000 0.479 444 P HA -0.240 nan 4.420 nan 0.000 0.216 444 P C 1.038 178.283 177.300 -0.092 0.000 1.153 444 P CA 1.538 64.564 63.100 -0.122 0.000 0.858 444 P CB 0.162 31.951 31.700 0.149 0.000 0.789 445 R N 0.741 121.231 120.500 -0.017 0.000 2.105 445 R HA -0.107 4.240 4.340 0.012 0.000 0.239 445 R C 2.009 178.277 176.300 -0.053 0.000 1.135 445 R CA 1.765 57.863 56.100 -0.002 0.000 0.967 445 R CB -1.149 29.149 30.300 -0.002 0.000 0.861 445 R HN 0.031 nan 8.270 nan 0.000 0.442 446 K N 0.237 120.577 120.400 -0.101 0.000 2.167 446 K HA 0.123 4.451 4.320 0.012 0.000 0.203 446 K C 2.040 178.535 176.600 -0.174 0.000 1.052 446 K CA 1.278 57.499 56.287 -0.110 0.000 0.956 446 K CB -0.243 32.198 32.500 -0.097 0.000 0.735 446 K HN 0.340 nan 8.250 nan 0.000 0.451 447 A N 0.359 122.968 122.820 -0.350 0.000 1.897 447 A HA -0.046 4.282 4.320 0.012 0.000 0.215 447 A C 1.686 179.020 177.584 -0.415 0.000 1.181 447 A CA 1.100 52.819 52.037 -0.530 0.000 0.620 447 A CB -0.333 18.059 19.000 -1.014 0.000 0.821 447 A HN 0.167 nan 8.150 nan 0.000 0.443 448 F N -0.282 119.667 119.950 -0.003 0.000 2.582 448 F HA 0.138 4.672 4.527 0.012 0.000 0.290 448 F C 2.506 178.267 175.800 -0.065 0.000 1.115 448 F CA 0.438 58.417 58.000 -0.034 0.000 1.445 448 F CB -0.667 38.297 39.000 -0.060 0.000 1.126 448 F HN 0.053 nan 8.300 nan 0.000 0.574 449 S N 1.174 116.920 115.700 0.077 0.000 2.383 449 S HA -0.121 4.357 4.470 0.012 0.000 0.229 449 S C -0.556 174.046 174.600 0.004 0.000 1.030 449 S CA 1.525 59.736 58.200 0.018 0.000 1.002 449 S CB -1.263 61.934 63.200 -0.005 0.000 0.829 449 S HN 0.235 nan 8.310 nan 0.000 0.467 450 P HA 0.046 nan 4.420 nan 0.000 0.219 450 P C 1.142 178.455 177.300 0.021 0.000 1.150 450 P CA 0.823 63.927 63.100 0.008 0.000 0.814 450 P CB -0.097 31.606 31.700 0.006 0.000 0.787 451 I N -1.021 119.577 120.570 0.046 0.000 2.406 451 I HA -0.124 4.053 4.170 0.012 0.000 0.249 451 I C 2.736 178.850 176.117 -0.004 0.000 1.122 451 I CA 0.944 62.277 61.300 0.055 0.000 1.431 451 I CB -0.330 37.740 38.000 0.118 0.000 1.087 451 I HN -0.171 nan 8.210 nan 0.000 0.424 452 R N 0.851 121.327 120.500 -0.039 0.000 2.075 452 R HA -0.128 4.219 4.340 0.012 0.000 0.232 452 R C 2.300 178.532 176.300 -0.114 0.000 1.126 452 R CA 1.424 57.453 56.100 -0.119 0.000 0.963 452 R CB -0.120 30.099 30.300 -0.135 0.000 0.858 452 R HN 0.138 nan 8.270 nan 0.000 0.435 453 V N 1.044 120.919 119.914 -0.065 0.000 2.343 453 V HA -0.219 3.908 4.120 0.012 0.000 0.247 453 V C 2.473 178.567 176.094 -0.001 0.000 1.051 453 V CA 1.905 64.174 62.300 -0.053 0.000 1.036 453 V CB -0.652 31.148 31.823 -0.039 0.000 0.654 453 V HN 0.542 nan 8.190 nan 0.000 0.451 454 A N -0.097 122.738 122.820 0.025 0.000 1.877 454 A HA -0.105 4.222 4.320 0.012 0.000 0.216 454 A C 2.350 180.009 177.584 0.125 0.000 1.186 454 A CA 2.219 54.306 52.037 0.084 0.000 0.620 454 A CB -0.718 18.320 19.000 0.062 0.000 0.822 454 A HN 0.572 nan 8.150 nan 0.000 0.443 455 A N -1.241 121.594 122.820 0.026 0.000 1.975 455 A HA 0.093 4.420 4.320 0.012 0.000 0.215 455 A C 2.268 179.803 177.584 -0.081 0.000 1.170 455 A CA 2.165 54.180 52.037 -0.036 0.000 0.656 455 A CB -0.619 18.356 19.000 -0.042 0.000 0.821 455 A HN 0.765 nan 8.150 nan 0.000 0.449 456 T N -6.374 108.088 114.554 -0.154 0.000 2.969 456 T HA 0.432 4.790 4.350 0.012 0.000 0.250 456 T C 1.432 176.065 174.700 -0.112 0.000 1.021 456 T CA 1.179 63.004 62.100 -0.459 0.000 1.003 456 T CB 0.489 68.797 68.868 -0.934 0.000 1.040 456 T HN 1.628 nan 8.240 nan 0.000 0.492 457 G N 1.248 110.044 108.800 -0.007 0.000 2.194 457 G HA2 -0.135 3.832 3.960 0.012 0.000 0.236 457 G HA3 -0.135 3.832 3.960 0.012 0.000 0.236 457 G C 0.298 175.114 174.900 -0.139 0.000 0.987 457 G CA 0.563 45.591 45.100 -0.120 0.000 0.635 457 G HN 1.420 nan 8.290 nan 0.000 0.520 458 T N -3.902 110.561 114.554 -0.152 0.000 2.864 458 T HA 0.635 4.993 4.350 0.012 0.000 0.299 458 T C 0.688 175.309 174.700 -0.132 0.000 1.166 458 T CA 0.814 62.833 62.100 -0.136 0.000 1.007 458 T CB 1.719 70.502 68.868 -0.141 0.000 1.219 458 T HN 0.731 nan 8.240 nan 0.000 0.506 459 T N -0.151 114.343 114.554 -0.100 0.000 3.067 459 T HA 0.220 4.577 4.350 0.012 0.000 0.261 459 T C 0.308 174.950 174.700 -0.096 0.000 1.110 459 T CA 0.408 62.456 62.100 -0.086 0.000 1.113 459 T CB -0.339 68.493 68.868 -0.060 0.000 0.917 459 T HN 0.532 nan 8.240 nan 0.000 0.499 460 V N 2.230 122.080 119.914 -0.107 0.000 2.495 460 V HA 0.745 4.873 4.120 0.012 0.000 0.298 460 V C -0.250 175.754 176.094 -0.150 0.000 1.031 460 V CA -0.508 61.728 62.300 -0.107 0.000 0.871 460 V CB 1.643 33.421 31.823 -0.075 0.000 0.988 460 V HN 0.579 nan 8.190 nan 0.000 0.432 461 S N 4.853 120.454 115.700 -0.165 0.000 2.672 461 S HA 0.778 5.255 4.470 0.012 0.000 0.271 461 S C -3.269 171.248 174.600 -0.139 0.000 1.171 461 S CA -1.249 56.818 58.200 -0.221 0.000 0.817 461 S CB 1.915 64.874 63.200 -0.401 0.000 1.150 461 S HN 0.450 nan 8.310 nan 0.000 0.478 462 P HA 0.435 nan 4.420 nan 0.000 0.274 462 P C -2.814 174.440 177.300 -0.076 0.000 1.260 462 P CA -1.334 61.758 63.100 -0.013 0.000 0.793 462 P CB -1.184 30.588 31.700 0.120 0.000 1.048 463 P HA -0.093 nan 4.420 nan 0.000 0.255 463 P C 0.910 178.095 177.300 -0.192 0.000 1.161 463 P CA 0.275 63.303 63.100 -0.120 0.000 0.768 463 P CB 0.008 31.680 31.700 -0.048 0.000 0.746 464 L N 5.339 126.322 121.223 -0.399 0.000 1.990 464 L HA -0.213 4.134 4.340 0.012 0.000 0.213 464 L C 1.710 178.329 176.870 -0.419 0.000 1.072 464 L CA 2.152 56.687 54.840 -0.507 0.000 0.755 464 L CB -1.107 40.459 42.059 -0.822 0.000 0.889 464 L HN 0.231 nan 8.230 nan 0.000 0.432 465 F N 0.060 119.922 119.950 -0.147 0.000 2.134 465 F HA -0.134 4.400 4.527 0.012 0.000 0.299 465 F C 2.524 178.267 175.800 -0.094 0.000 1.097 465 F CA 1.172 59.079 58.000 -0.154 0.000 1.264 465 F CB -1.116 37.763 39.000 -0.201 0.000 1.001 465 F HN 0.124 nan 8.300 nan 0.000 0.479 466 E N 0.343 120.600 120.200 0.094 0.000 2.058 466 E HA -0.155 4.202 4.350 0.012 0.000 0.194 466 E C 2.402 179.098 176.600 0.160 0.000 0.997 466 E CA 1.518 57.974 56.400 0.093 0.000 0.801 466 E CB -0.910 28.835 29.700 0.075 0.000 0.746 466 E HN 0.282 nan 8.360 nan 0.000 0.450 467 S N 1.203 117.002 115.700 0.165 0.000 2.359 467 S HA -0.135 4.342 4.470 0.012 0.000 0.224 467 S C 2.206 176.984 174.600 0.297 0.000 1.035 467 S CA 0.978 59.352 58.200 0.291 0.000 1.018 467 S CB -0.364 62.916 63.200 0.132 0.000 0.876 467 S HN 0.167 nan 8.310 nan 0.000 0.448 468 L N 1.266 122.598 121.223 0.182 0.000 2.042 468 L HA -0.187 4.160 4.340 0.012 0.000 0.210 468 L C 2.711 179.834 176.870 0.422 0.000 1.076 468 L CA 1.634 56.640 54.840 0.276 0.000 0.749 468 L CB -0.547 41.612 42.059 0.167 0.000 0.893 468 L HN 0.420 nan 8.230 nan 0.000 0.432 469 E N 0.693 121.018 120.200 0.209 0.000 2.058 469 E HA -0.239 4.118 4.350 0.012 0.000 0.194 469 E C 2.294 179.129 176.600 0.392 0.000 0.997 469 E CA 1.338 57.865 56.400 0.211 0.000 0.801 469 E CB -0.100 29.631 29.700 0.053 0.000 0.746 469 E HN 0.477 nan 8.360 nan 0.000 0.450 470 L N 0.626 122.039 121.223 0.315 0.000 2.217 470 L HA -0.122 4.225 4.340 0.012 0.000 0.211 470 L C 2.538 179.603 176.870 0.324 0.000 1.107 470 L CA 0.412 55.402 54.840 0.249 0.000 0.783 470 L CB -0.240 41.896 42.059 0.127 0.000 0.919 470 L HN 0.231 nan 8.230 nan 0.000 0.442 471 L N -0.244 121.259 121.223 0.465 0.000 2.141 471 L HA 0.021 4.369 4.340 0.012 0.000 0.209 471 L C 1.114 178.091 176.870 0.178 0.000 1.094 471 L CA 0.672 55.717 54.840 0.341 0.000 0.763 471 L CB -0.759 41.467 42.059 0.278 0.000 0.908 471 L HN 0.445 nan 8.230 nan 0.000 0.437 472 G N -0.731 108.202 108.800 0.222 0.000 2.690 472 G HA2 -0.236 3.732 3.960 0.012 0.000 0.686 472 G HA3 -0.236 3.732 3.960 0.012 0.000 0.686 472 G C 0.265 174.780 174.900 -0.641 0.000 1.277 472 G CA 0.020 45.044 45.100 -0.127 0.000 0.799 472 G HN 0.158 nan 8.290 nan 0.000 0.613 473 R N 0.141 119.765 120.500 -1.460 0.000 2.080 473 R HA -0.124 4.223 4.340 0.012 0.000 0.236 473 R C 2.109 177.970 176.300 -0.732 0.000 1.137 473 R CA 2.394 57.429 56.100 -1.775 0.000 0.943 473 R CB -0.393 29.102 30.300 -1.342 0.000 0.846 473 R HN 0.650 nan 8.270 nan 0.000 0.431 474 D N -0.122 120.011 120.400 -0.445 0.000 2.092 474 D HA -0.208 4.439 4.640 0.012 0.000 0.193 474 D C 1.971 178.161 176.300 -0.183 0.000 0.994 474 D CA 1.318 55.171 54.000 -0.245 0.000 0.828 474 D CB -0.346 40.355 40.800 -0.165 0.000 0.963 474 D HN 0.284 nan 8.370 nan 0.000 0.450 475 R N 0.653 121.054 120.500 -0.163 0.000 2.081 475 R HA -0.094 4.253 4.340 0.012 0.000 0.235 475 R C 2.233 178.474 176.300 -0.098 0.000 1.131 475 R CA 1.538 57.572 56.100 -0.110 0.000 0.960 475 R CB -0.051 30.207 30.300 -0.071 0.000 0.856 475 R HN -0.008 nan 8.270 nan 0.000 0.436 476 S N 0.442 116.095 115.700 -0.079 0.000 2.348 476 S HA -0.133 4.344 4.470 0.012 0.000 0.221 476 S C 1.909 176.516 174.600 0.011 0.000 1.033 476 S CA 1.405 59.624 58.200 0.032 0.000 1.010 476 S CB -0.126 63.217 63.200 0.238 0.000 0.891 476 S HN 0.263 nan 8.310 nan 0.000 0.442 477 M N 1.678 121.248 119.600 -0.050 0.000 2.080 477 M HA -0.142 4.345 4.480 0.012 0.000 0.260 477 M C 2.215 178.504 176.300 -0.018 0.000 1.068 477 M CA 1.501 56.788 55.300 -0.021 0.000 1.109 477 M CB -1.624 30.936 32.600 -0.066 0.000 1.342 477 M HN 0.390 nan 8.290 nan 0.000 0.405 478 Q N -0.511 119.262 119.800 -0.045 0.000 2.061 478 Q HA -0.174 4.173 4.340 0.012 0.000 0.204 478 Q C 2.254 178.244 176.000 -0.017 0.000 0.984 478 Q CA 1.482 57.266 55.803 -0.031 0.000 0.846 478 Q CB -0.234 28.476 28.738 -0.046 0.000 0.902 478 Q HN 0.529 nan 8.270 nan 0.000 0.421 479 R N 0.027 120.499 120.500 -0.047 0.000 2.081 479 R HA -0.134 4.213 4.340 0.012 0.000 0.235 479 R C 2.250 178.573 176.300 0.037 0.000 1.131 479 R CA 0.953 57.033 56.100 -0.034 0.000 0.960 479 R CB -0.291 29.908 30.300 -0.168 0.000 0.856 479 R HN 0.127 nan 8.270 nan 0.000 0.436 480 L N 0.819 122.062 121.223 0.034 0.000 2.042 480 L HA -0.175 4.172 4.340 0.012 0.000 0.210 480 L C 2.392 179.290 176.870 0.047 0.000 1.076 480 L CA 1.739 56.611 54.840 0.053 0.000 0.749 480 L CB -0.394 41.706 42.059 0.068 0.000 0.893 480 L HN 0.084 nan 8.230 nan 0.000 0.432 481 R N -1.075 119.448 120.500 0.037 0.000 2.075 481 R HA -0.087 4.261 4.340 0.012 0.000 0.232 481 R C 2.229 178.550 176.300 0.035 0.000 1.126 481 R CA 1.299 57.418 56.100 0.032 0.000 0.963 481 R CB -0.630 29.683 30.300 0.022 0.000 0.858 481 R HN 0.376 nan 8.270 nan 0.000 0.435 482 A N 1.256 124.102 122.820 0.044 0.000 1.969 482 A HA -0.030 4.297 4.320 0.012 0.000 0.218 482 A C 2.331 179.949 177.584 0.057 0.000 1.169 482 A CA 1.433 53.502 52.037 0.053 0.000 0.635 482 A CB -0.415 18.629 19.000 0.073 0.000 0.810 482 A HN 0.382 nan 8.150 nan 0.000 0.445 483 A N 1.042 123.901 122.820 0.066 0.000 1.972 483 A HA -0.168 4.159 4.320 0.012 0.000 0.219 483 A C 2.154 179.759 177.584 0.035 0.000 1.169 483 A CA 1.449 53.522 52.037 0.059 0.000 0.635 483 A CB -0.523 18.518 19.000 0.068 0.000 0.810 483 A HN 0.716 nan 8.150 nan 0.000 0.446 484 R N -0.838 119.681 120.500 0.032 0.000 2.237 484 R HA -0.030 4.317 4.340 0.012 0.000 0.219 484 R C 0.425 176.736 176.300 0.017 0.000 1.080 484 R CA 0.750 56.863 56.100 0.022 0.000 0.995 484 R CB -0.333 29.980 30.300 0.022 0.000 0.875 484 R HN 0.430 nan 8.270 nan 0.000 0.462 485 Q N 0.000 119.812 119.800 0.019 0.000 2.315 485 Q HA 0.000 4.347 4.340 0.012 0.000 0.214 485 Q CA 0.000 55.812 55.803 0.014 0.000 1.022 485 Q CB 0.000 28.748 28.738 0.016 0.000 1.108 485 Q HN 0.000 nan 8.270 nan 0.000 0.481