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 1gah_1_A DATA FIRST_RESID 1 DATA SEQUENCE ATLDSWLSNE ATVARTAILN NIGADGAWVS GADSGIVVAS PSTDNPDYFY DATA SEQUENCE TWTRDSGLVI KTLVDLFRNG DTDLLSTIEH YISSQAIIQG VSNPSGDLSS DATA SEQUENCE GXGLGEPKFN VDETAYTGSW GRPQRDGPAL RATAMIGFGQ WLLDNGYTSA DATA SEQUENCE ATEIVWPLVR NDLSYVAQYW NQTGYDLWEE VNGSSFFTIA VQHRALVEGS DATA SEQUENCE AFATAVGSSC SWCDSQAPQI LcYLQSFWTG SYILANFDSS RSGKDTNTLL DATA SEQUENCE GSIHTFDPEA GcDDSTFQPc SPRALANHKE VVDSFRSIYT LNDGLSDSEA DATA SEQUENCE VAVGRYPEDS YYNGNPWFLC TLAAAEQLYD ALYQWDKQGS LEITDVSLDF DATA SEQUENCE FKALYSGAAT GTYSSSSSTY SSIVSAVKTF ADGFVSIVET HAASNGSLSE DATA SEQUENCE QFDKSDGDEL SARDLTWSYA ALLTANNRRN SVVPPSWGET SASSVPGTcA DATA SEQUENCE ATSASGTYSS VTVTSWPSIV AT 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.621 177.584 0.062 0.000 1.274 1 A CA 0.000 52.068 52.037 0.051 0.000 0.836 1 A CB 0.000 19.032 19.000 0.053 0.000 0.831 2 T N 0.098 114.687 114.554 0.059 0.000 3.023 2 T HA 0.003 nan 4.350 nan 0.000 0.266 2 T C 1.709 176.487 174.700 0.131 0.000 1.093 2 T CA 2.265 64.412 62.100 0.078 0.000 1.129 2 T CB -0.348 68.548 68.868 0.046 0.000 0.899 2 T HN -0.103 8.163 8.240 0.044 0.000 0.491 3 L N 1.439 122.730 121.223 0.113 0.000 2.017 3 L HA -0.065 nan 4.340 nan 0.000 0.208 3 L C 1.211 178.212 176.870 0.218 0.000 1.073 3 L CA 2.875 57.817 54.840 0.172 0.000 0.745 3 L CB -0.882 41.251 42.059 0.124 0.000 0.894 3 L HN -0.191 8.065 8.230 0.078 0.020 0.432 4 D N -3.087 117.396 120.400 0.138 0.000 2.104 4 D HA -0.309 nan 4.640 nan 0.000 0.194 4 D C 2.797 179.154 176.300 0.095 0.000 0.994 4 D CA 4.317 58.378 54.000 0.103 0.000 0.830 4 D CB -0.437 40.405 40.800 0.069 0.000 0.959 4 D HN 0.382 8.819 8.370 0.112 0.000 0.452 5 S N -0.031 115.731 115.700 0.104 0.000 2.387 5 S HA -0.257 nan 4.470 nan 0.000 0.226 5 S C 1.944 176.602 174.600 0.098 0.000 1.026 5 S CA 2.521 60.769 58.200 0.080 0.000 0.972 5 S CB 0.053 63.298 63.200 0.075 0.000 0.814 5 S HN -0.678 7.699 8.310 0.111 0.000 0.477 6 W N 3.777 125.080 121.300 0.005 0.000 2.338 6 W HA -0.325 nan 4.660 nan 0.000 0.304 6 W C 1.327 177.851 176.519 0.009 0.000 1.212 6 W CA 4.417 61.764 57.345 0.003 0.000 1.264 6 W CB 0.150 29.610 29.460 0.001 0.000 1.142 6 W HN 0.156 8.415 8.180 0.314 0.109 0.512 7 L N -2.406 118.845 121.223 0.046 0.000 2.046 7 L HA -0.630 nan 4.340 nan 0.000 0.208 7 L C 2.330 179.078 176.870 -0.202 0.000 1.077 7 L CA 3.450 58.210 54.840 -0.133 0.000 0.747 7 L CB -0.527 41.575 42.059 0.072 0.000 0.896 7 L HN 0.403 8.802 8.230 0.281 0.000 0.432 8 S N -1.391 114.243 115.700 -0.110 0.000 2.368 8 S HA -0.413 nan 4.470 nan 0.000 0.225 8 S C 1.709 176.218 174.600 -0.152 0.000 1.030 8 S CA 4.300 62.440 58.200 -0.100 0.000 0.999 8 S CB -0.541 62.629 63.200 -0.050 0.000 0.844 8 S HN -0.200 8.083 8.310 -0.045 0.000 0.459 9 N N 0.472 119.055 118.700 -0.196 0.000 2.216 9 N HA -0.245 nan 4.740 nan 0.000 0.183 9 N C 1.940 177.262 175.510 -0.313 0.000 1.017 9 N CA 2.773 55.695 53.050 -0.213 0.000 0.861 9 N CB 0.435 38.816 38.487 -0.176 0.000 0.986 9 N HN -0.405 7.865 8.380 -0.183 0.000 0.428 10 E N 0.898 120.767 120.200 -0.551 0.000 2.106 10 E HA -0.258 nan 4.350 nan 0.000 0.192 10 E C 1.677 178.082 176.600 -0.326 0.000 0.984 10 E CA 2.510 58.543 56.400 -0.613 0.000 0.806 10 E CB -0.348 28.587 29.700 -1.274 0.000 0.750 10 E HN 0.292 8.072 8.360 -0.670 0.178 0.458 11 A N -2.161 120.505 122.820 -0.257 0.000 1.972 11 A HA -0.213 nan 4.320 nan 0.000 0.219 11 A C 2.139 179.649 177.584 -0.122 0.000 1.169 11 A CA 3.628 55.581 52.037 -0.140 0.000 0.635 11 A CB -0.894 18.044 19.000 -0.103 0.000 0.810 11 A HN 0.302 8.173 8.150 -0.293 0.104 0.446 12 T N 1.690 116.159 114.554 -0.140 0.000 2.812 12 T HA -0.187 nan 4.350 nan 0.000 0.264 12 T C 2.051 176.665 174.700 -0.144 0.000 1.042 12 T CA 4.360 66.385 62.100 -0.125 0.000 1.140 12 T CB -0.325 68.475 68.868 -0.112 0.000 0.870 12 T HN -0.702 7.328 8.240 -0.164 0.112 0.445 13 V N 1.758 121.578 119.914 -0.158 0.000 2.343 13 V HA -0.381 nan 4.120 nan 0.000 0.247 13 V C 1.410 177.362 176.094 -0.236 0.000 1.051 13 V CA 4.179 66.381 62.300 -0.163 0.000 1.036 13 V CB -1.073 30.678 31.823 -0.121 0.000 0.654 13 V HN -0.330 7.677 8.190 -0.174 0.080 0.451 14 A N -1.035 121.684 122.820 -0.169 0.000 1.902 14 A HA -0.362 nan 4.320 nan 0.000 0.217 14 A C 1.620 179.077 177.584 -0.212 0.000 1.181 14 A CA 3.445 55.392 52.037 -0.151 0.000 0.623 14 A CB -0.752 18.303 19.000 0.092 0.000 0.818 14 A HN 0.542 8.510 8.150 -0.126 0.106 0.443 15 R N -2.174 118.236 120.500 -0.150 0.000 2.081 15 R HA -0.350 nan 4.340 nan 0.000 0.235 15 R C 2.135 178.312 176.300 -0.204 0.000 1.131 15 R CA 3.760 59.777 56.100 -0.139 0.000 0.960 15 R CB -0.004 30.231 30.300 -0.108 0.000 0.856 15 R HN -0.380 7.814 8.270 -0.127 0.000 0.436 16 T N 1.176 115.584 114.554 -0.243 0.000 2.708 16 T HA -0.245 nan 4.350 nan 0.000 0.266 16 T C 1.833 176.272 174.700 -0.436 0.000 1.037 16 T CA 4.415 66.338 62.100 -0.295 0.000 1.146 16 T CB -0.511 68.199 68.868 -0.263 0.000 0.865 16 T HN -0.547 7.561 8.240 -0.221 0.000 0.435 17 A N 1.499 123.998 122.820 -0.535 0.000 1.933 17 A HA -0.254 nan 4.320 nan 0.000 0.218 17 A C 1.854 179.182 177.584 -0.427 0.000 1.175 17 A CA 3.113 54.740 52.037 -0.683 0.000 0.628 17 A CB -0.895 17.456 19.000 -1.082 0.000 0.814 17 A HN -0.048 7.800 8.150 -0.503 0.000 0.444 18 I N -1.823 118.566 120.570 -0.302 0.000 2.179 18 I HA -0.544 nan 4.170 nan 0.000 0.242 18 I C 2.368 178.413 176.117 -0.120 0.000 1.088 18 I CA 3.891 65.135 61.300 -0.092 0.000 1.357 18 I CB -0.078 37.899 38.000 -0.037 0.000 1.051 18 I HN -0.303 7.693 8.210 -0.356 0.000 0.409 19 L N -0.804 120.304 121.223 -0.191 0.000 2.131 19 L HA -0.426 nan 4.340 nan 0.000 0.210 19 L C 2.363 179.105 176.870 -0.213 0.000 1.092 19 L CA 3.106 57.838 54.840 -0.181 0.000 0.759 19 L CB -0.807 41.139 42.059 -0.189 0.000 0.903 19 L HN -0.461 7.637 8.230 -0.221 0.000 0.435 20 N N -0.680 117.797 118.700 -0.371 0.000 2.381 20 N HA -0.220 nan 4.740 nan 0.000 0.182 20 N C 0.934 176.356 175.510 -0.147 0.000 1.025 20 N CA 2.740 55.495 53.050 -0.492 0.000 0.888 20 N CB -0.500 37.181 38.487 -1.344 0.000 0.965 20 N HN -0.044 7.966 8.380 -0.450 0.099 0.438 21 N N -0.876 117.818 118.700 -0.009 0.000 2.235 21 N HA 0.113 nan 4.740 nan 0.000 0.209 21 N C -1.954 173.611 175.510 0.091 0.000 1.122 21 N CA -0.043 53.102 53.050 0.159 0.000 0.845 21 N CB 1.292 39.933 38.487 0.257 0.000 1.004 21 N HN -0.349 7.814 8.380 -0.077 0.171 0.499 22 I N -0.810 119.775 120.570 0.025 0.000 2.406 22 I HA 0.302 nan 4.170 nan 0.000 0.290 22 I C -0.826 175.299 176.117 0.014 0.000 0.999 22 I CA -1.267 60.043 61.300 0.018 0.000 1.124 22 I CB 2.123 40.117 38.000 -0.010 0.000 1.289 22 I HN -0.586 7.455 8.210 -0.016 0.159 0.441 23 G N 3.930 112.740 108.800 0.015 0.000 2.634 23 G HA2 0.045 nan 3.960 nan 0.000 0.255 23 G HA3 0.045 nan 3.960 nan 0.000 0.255 23 G C -0.769 174.129 174.900 -0.004 0.000 1.205 23 G CA -0.779 44.323 45.100 0.004 0.000 0.884 23 G HN 0.135 8.434 8.290 0.015 0.000 0.549 24 A N -1.777 121.024 122.820 -0.032 0.000 2.460 24 A HA 0.267 nan 4.320 nan 0.000 0.258 24 A C 0.124 177.701 177.584 -0.013 0.000 1.300 24 A CA 0.456 52.478 52.037 -0.026 0.000 0.913 24 A CB 0.005 18.974 19.000 -0.050 0.000 1.031 24 A HN 0.557 8.671 8.150 -0.060 0.000 0.512 25 D N -1.698 118.696 120.400 -0.011 0.000 2.441 25 D HA 0.131 nan 4.640 nan 0.000 0.210 25 D C 0.532 176.817 176.300 -0.025 0.000 1.102 25 D CA -0.145 53.846 54.000 -0.015 0.000 0.840 25 D CB 1.556 42.345 40.800 -0.018 0.000 0.990 25 D HN -0.079 8.202 8.370 -0.008 0.085 0.505 26 G N 0.253 109.041 108.800 -0.019 0.000 2.272 26 G HA2 -0.060 nan 3.960 nan 0.000 0.247 26 G HA3 -0.060 nan 3.960 nan 0.000 0.247 26 G C 0.596 175.482 174.900 -0.023 0.000 1.272 26 G CA -0.176 44.897 45.100 -0.046 0.000 0.921 26 G HN -0.711 7.576 8.290 -0.004 0.000 0.495 27 A N 6.279 129.032 122.820 -0.112 0.000 1.978 27 A HA -0.158 nan 4.320 nan 0.000 0.220 27 A C 0.971 178.646 177.584 0.150 0.000 1.170 27 A CA 2.292 54.296 52.037 -0.055 0.000 0.636 27 A CB -0.277 18.616 19.000 -0.178 0.000 0.810 27 A HN 0.446 8.475 8.150 -0.202 0.000 0.448 28 W N -5.272 116.055 121.300 0.045 0.000 3.211 28 W HA 0.093 nan 4.660 nan 0.000 0.292 28 W C -0.121 176.483 176.519 0.141 0.000 1.268 28 W CA -1.144 56.243 57.345 0.071 0.000 1.702 28 W CB 0.956 30.459 29.460 0.072 0.000 1.092 28 W HN -0.495 7.679 8.180 0.042 0.031 0.643 29 V N -7.620 112.511 119.914 0.361 0.000 2.727 29 V HA 0.448 nan 4.120 nan 0.000 0.336 29 V C -0.875 175.407 176.094 0.313 0.000 1.228 29 V CA -2.871 59.678 62.300 0.415 0.000 1.270 29 V CB -0.627 31.384 31.823 0.313 0.000 1.486 29 V HN -0.862 7.436 8.190 0.261 0.048 0.638 30 S N 1.986 117.831 115.700 0.242 0.000 2.544 30 S HA -0.222 nan 4.470 nan 0.000 0.290 30 S C 1.123 175.859 174.600 0.227 0.000 1.276 30 S CA 1.874 60.174 58.200 0.167 0.000 1.075 30 S CB -0.092 63.173 63.200 0.109 0.000 0.849 30 S HN -0.092 8.354 8.310 0.226 0.000 0.494 31 G N 6.262 115.155 108.800 0.155 0.000 2.428 31 G HA2 -0.301 nan 3.960 nan 0.000 0.199 31 G HA3 -0.301 nan 3.960 nan 0.000 0.199 31 G C -1.313 173.630 174.900 0.071 0.000 1.005 31 G CA -0.332 44.860 45.100 0.154 0.000 0.671 31 G HN 0.256 8.608 8.290 0.102 0.000 0.485 32 A N 2.337 125.177 122.820 0.034 0.000 2.401 32 A HA 0.078 nan 4.320 nan 0.000 0.259 32 A C -0.518 177.047 177.584 -0.032 0.000 1.103 32 A CA 0.097 52.099 52.037 -0.060 0.000 0.789 32 A CB 0.535 19.483 19.000 -0.087 0.000 1.035 32 A HN -0.260 7.881 8.150 0.096 0.067 0.491 33 D N 2.916 123.288 120.400 -0.048 0.000 2.384 33 D HA -0.040 nan 4.640 nan 0.000 0.244 33 D C 0.005 176.272 176.300 -0.055 0.000 1.251 33 D CA -0.227 53.743 54.000 -0.050 0.000 0.961 33 D CB 2.004 42.769 40.800 -0.058 0.000 1.116 33 D HN 0.256 8.589 8.370 -0.062 0.000 0.484 34 S N -1.067 114.583 115.700 -0.083 0.000 2.515 34 S HA -0.398 nan 4.470 nan 0.000 0.285 34 S C 0.607 175.179 174.600 -0.047 0.000 1.265 34 S CA 1.778 59.905 58.200 -0.121 0.000 1.079 34 S CB -0.072 62.977 63.200 -0.251 0.000 0.877 34 S HN -0.087 8.168 8.310 -0.092 0.000 0.493 35 G N 7.460 116.279 108.800 0.032 0.000 2.179 35 G HA2 -0.442 nan 3.960 nan 0.000 0.260 35 G HA3 -0.442 nan 3.960 nan 0.000 0.260 35 G C -0.384 174.579 174.900 0.105 0.000 0.977 35 G CA 0.188 45.352 45.100 0.107 0.000 0.641 35 G HN 0.541 8.754 8.290 0.033 0.098 0.533 36 I N 3.270 123.866 120.570 0.043 0.000 2.379 36 I HA -0.019 nan 4.170 nan 0.000 0.290 36 I C -0.886 175.263 176.117 0.055 0.000 1.063 36 I CA -0.864 60.460 61.300 0.040 0.000 1.351 36 I CB -0.793 37.194 38.000 -0.022 0.000 1.410 36 I HN -0.528 7.629 8.210 0.012 0.061 0.505 37 V N 8.653 128.625 119.914 0.097 0.000 2.427 37 V HA 0.236 nan 4.120 nan 0.000 0.268 37 V C -0.514 175.647 176.094 0.111 0.000 1.046 37 V CA -0.292 62.059 62.300 0.085 0.000 0.970 37 V CB -0.519 31.343 31.823 0.065 0.000 1.001 37 V HN 0.357 8.635 8.190 0.146 0.000 0.476 38 V N 7.698 127.675 119.914 0.106 0.000 2.509 38 V HA 0.291 nan 4.120 nan 0.000 0.284 38 V C -0.472 175.773 176.094 0.252 0.000 1.047 38 V CA -1.223 61.153 62.300 0.126 0.000 0.952 38 V CB -0.035 31.802 31.823 0.024 0.000 0.988 38 V HN 0.451 8.701 8.190 0.099 0.000 0.469 39 A N 6.332 129.371 122.820 0.365 0.000 1.902 39 A HA -0.123 nan 4.320 nan 0.000 0.217 39 A C -0.743 177.071 177.584 0.384 0.000 1.181 39 A CA 2.834 55.091 52.037 0.367 0.000 0.623 39 A CB 0.939 20.122 19.000 0.306 0.000 0.818 39 A HN 0.448 8.859 8.150 0.435 0.000 0.443 40 S N -7.035 108.922 115.700 0.427 0.000 2.543 40 S HA 0.339 nan 4.470 nan 0.000 0.274 40 S C -2.706 172.127 174.600 0.388 0.000 1.149 40 S CA -2.409 56.006 58.200 0.357 0.000 0.866 40 S CB 1.672 65.043 63.200 0.284 0.000 1.111 40 S HN -0.856 7.732 8.310 0.463 0.000 0.457 41 P HA 0.050 nan 4.420 nan 0.000 0.242 41 P C -0.866 176.517 177.300 0.138 0.000 1.197 41 P CA 0.430 63.714 63.100 0.307 0.000 0.765 41 P CB 0.348 32.141 31.700 0.155 0.000 0.936 42 S N 1.341 117.108 115.700 0.112 0.000 2.466 42 S HA -0.102 nan 4.470 nan 0.000 0.286 42 S C 0.761 175.418 174.600 0.096 0.000 1.221 42 S CA 1.031 59.250 58.200 0.032 0.000 1.091 42 S CB 0.758 63.941 63.200 -0.028 0.000 0.956 42 S HN -0.429 7.890 8.310 0.142 0.076 0.501 43 T N 2.004 116.535 114.554 -0.038 0.000 3.081 43 T HA 0.168 nan 4.350 nan 0.000 0.250 43 T C -0.302 174.417 174.700 0.032 0.000 1.100 43 T CA -0.854 61.209 62.100 -0.061 0.000 1.038 43 T CB 0.158 68.860 68.868 -0.276 0.000 0.962 43 T HN 0.336 8.516 8.240 -0.100 0.000 0.516 44 D N 0.933 121.361 120.400 0.046 0.000 2.803 44 D HA 0.039 nan 4.640 nan 0.000 0.218 44 D C -1.918 174.424 176.300 0.070 0.000 1.245 44 D CA 0.044 54.088 54.000 0.073 0.000 0.821 44 D CB 2.178 42.996 40.800 0.030 0.000 1.626 44 D HN -0.793 7.537 8.370 0.020 0.052 0.487 45 N N 0.753 119.524 118.700 0.117 0.000 2.650 45 N HA -0.300 nan 4.740 nan 0.000 0.272 45 N C -2.108 173.437 175.510 0.059 0.000 1.058 45 N CA 0.311 53.431 53.050 0.117 0.000 0.765 45 N CB -1.155 37.378 38.487 0.076 0.000 0.902 45 N HN 0.335 8.804 8.380 0.149 0.000 0.551 46 P HA 0.141 nan 4.420 nan 0.000 0.285 46 P C -1.891 175.583 177.300 0.291 0.000 1.280 46 P CA -0.893 62.357 63.100 0.251 0.000 0.862 46 P CB 1.204 33.115 31.700 0.352 0.000 1.153 47 D N -0.652 120.021 120.400 0.454 0.000 2.411 47 D HA 0.018 nan 4.640 nan 0.000 0.225 47 D C -0.620 176.167 176.300 0.812 0.000 1.156 47 D CA -0.490 53.797 54.000 0.480 0.000 0.874 47 D CB -0.871 40.179 40.800 0.417 0.000 1.034 47 D HN 0.175 8.833 8.370 0.481 0.000 0.502 48 Y N 2.537 123.104 120.300 0.445 0.000 2.607 48 Y HA 0.051 nan 4.550 nan 0.000 0.266 48 Y C -0.036 176.204 175.900 0.567 0.000 1.178 48 Y CA -2.242 56.231 58.100 0.622 0.000 1.226 48 Y CB 0.367 39.068 38.460 0.401 0.000 1.144 48 Y HN 0.383 9.016 8.280 0.588 0.000 0.528 49 F N 4.073 124.145 119.950 0.204 0.000 2.662 49 F HA -0.045 nan 4.527 nan 0.000 0.365 49 F C -2.096 173.443 175.800 -0.435 0.000 1.222 49 F CA -0.031 57.930 58.000 -0.065 0.000 1.315 49 F CB -1.890 37.023 39.000 -0.144 0.000 1.711 49 F HN -0.527 8.227 8.300 0.435 -0.193 0.651 50 Y N 0.943 121.248 120.300 0.008 0.000 2.705 50 Y HA 0.235 nan 4.550 nan 0.000 0.332 50 Y C -2.475 173.385 175.900 -0.067 0.000 1.221 50 Y CA -0.992 56.971 58.100 -0.227 0.000 1.059 50 Y CB 3.976 42.032 38.460 -0.673 0.000 1.298 50 Y HN 0.055 8.477 8.280 0.321 0.051 0.459 51 T N 1.347 115.937 114.554 0.060 0.000 2.791 51 T HA 0.506 nan 4.350 nan 0.000 0.288 51 T C -1.449 173.345 174.700 0.158 0.000 0.999 51 T CA -1.649 60.554 62.100 0.171 0.000 0.952 51 T CB 0.939 69.872 68.868 0.107 0.000 0.938 51 T HN 0.388 8.624 8.240 -0.006 0.000 0.444 52 W N 7.641 128.973 121.300 0.054 0.000 2.417 52 W HA 0.359 nan 4.660 nan 0.000 0.317 52 W C 0.994 177.550 176.519 0.060 0.000 1.121 52 W CA -0.500 56.862 57.345 0.027 0.000 1.208 52 W CB 2.190 31.657 29.460 0.010 0.000 1.253 52 W HN 0.557 9.128 8.180 0.652 0.000 0.533 53 T N 6.153 120.877 114.554 0.283 0.000 2.788 53 T HA -0.401 nan 4.350 nan 0.000 0.268 53 T C 1.741 176.520 174.700 0.132 0.000 1.044 53 T CA 5.078 67.301 62.100 0.204 0.000 1.139 53 T CB -0.432 68.540 68.868 0.174 0.000 0.867 53 T HN 0.508 8.892 8.240 0.241 0.000 0.454 54 R N 1.043 121.616 120.500 0.120 0.000 2.070 54 R HA -0.401 nan 4.340 nan 0.000 0.232 54 R C 0.875 177.043 176.300 -0.220 0.000 1.138 54 R CA 4.303 60.376 56.100 -0.045 0.000 0.936 54 R CB -0.489 29.773 30.300 -0.064 0.000 0.839 54 R HN -0.005 8.386 8.270 0.215 0.007 0.429 55 D N -1.410 118.875 120.400 -0.192 0.000 2.123 55 D HA -0.276 nan 4.640 nan 0.000 0.196 55 D C 2.618 178.825 176.300 -0.156 0.000 0.992 55 D CA 3.787 57.619 54.000 -0.279 0.000 0.833 55 D CB -1.042 39.736 40.800 -0.036 0.000 0.954 55 D HN 0.140 8.492 8.370 -0.030 0.000 0.455 56 S N 0.589 116.283 115.700 -0.010 0.000 2.359 56 S HA -0.301 nan 4.470 nan 0.000 0.224 56 S C 2.367 176.865 174.600 -0.169 0.000 1.035 56 S CA 4.168 62.355 58.200 -0.023 0.000 1.018 56 S CB -0.372 62.925 63.200 0.161 0.000 0.876 56 S HN -0.027 8.333 8.310 0.084 0.000 0.448 57 G N 1.006 109.747 108.800 -0.099 0.000 2.418 57 G HA2 -0.237 nan 3.960 nan 0.000 0.217 57 G HA3 -0.237 nan 3.960 nan 0.000 0.217 57 G C 1.079 175.856 174.900 -0.205 0.000 1.158 57 G CA 1.892 46.917 45.100 -0.125 0.000 0.771 57 G HN -0.195 8.073 8.290 -0.037 0.000 0.545 58 L N 1.371 122.433 121.223 -0.269 0.000 2.056 58 L HA -0.363 nan 4.340 nan 0.000 0.207 58 L C 2.136 178.893 176.870 -0.189 0.000 1.078 58 L CA 3.037 57.694 54.840 -0.305 0.000 0.749 58 L CB -0.170 41.546 42.059 -0.571 0.000 0.901 58 L HN -0.104 7.947 8.230 -0.298 0.000 0.433 59 V N 0.530 120.332 119.914 -0.186 0.000 2.295 59 V HA -0.432 nan 4.120 nan 0.000 0.246 59 V C 2.264 178.257 176.094 -0.169 0.000 1.049 59 V CA 4.589 66.825 62.300 -0.107 0.000 1.024 59 V CB -0.770 31.012 31.823 -0.068 0.000 0.648 59 V HN 0.062 8.114 8.190 -0.229 0.000 0.447 60 I N -1.355 119.028 120.570 -0.313 0.000 2.286 60 I HA -0.440 nan 4.170 nan 0.000 0.248 60 I C 1.952 177.921 176.117 -0.246 0.000 1.115 60 I CA 2.712 63.762 61.300 -0.417 0.000 1.392 60 I CB -1.691 35.768 38.000 -0.901 0.000 1.065 60 I HN 0.335 8.332 8.210 -0.356 0.000 0.418 61 K N 0.246 120.544 120.400 -0.169 0.000 2.097 61 K HA -0.306 nan 4.320 nan 0.000 0.206 61 K C 2.259 178.849 176.600 -0.017 0.000 1.049 61 K CA 3.201 59.447 56.287 -0.067 0.000 0.933 61 K CB -0.613 31.863 32.500 -0.040 0.000 0.717 61 K HN -0.106 8.027 8.250 -0.195 0.000 0.442 62 T N 3.037 117.583 114.554 -0.014 0.000 2.777 62 T HA -0.220 nan 4.350 nan 0.000 0.266 62 T C 2.302 177.004 174.700 0.004 0.000 1.040 62 T CA 4.882 67.000 62.100 0.031 0.000 1.141 62 T CB -0.540 68.364 68.868 0.060 0.000 0.868 62 T HN -0.601 7.519 8.240 -0.044 0.094 0.444 63 L N 0.210 121.402 121.223 -0.051 0.000 2.093 63 L HA -0.320 nan 4.340 nan 0.000 0.208 63 L C 1.766 178.615 176.870 -0.036 0.000 1.085 63 L CA 3.392 58.191 54.840 -0.069 0.000 0.755 63 L CB -0.593 41.376 42.059 -0.150 0.000 0.904 63 L HN -0.050 8.058 8.230 -0.085 0.071 0.435 64 V N 0.528 120.413 119.914 -0.048 0.000 2.343 64 V HA -0.560 nan 4.120 nan 0.000 0.247 64 V C 1.982 178.154 176.094 0.130 0.000 1.051 64 V CA 4.793 67.117 62.300 0.040 0.000 1.036 64 V CB -1.048 30.802 31.823 0.044 0.000 0.654 64 V HN 0.526 8.664 8.190 -0.086 0.000 0.451 65 D N -0.452 119.999 120.400 0.085 0.000 2.144 65 D HA -0.207 nan 4.640 nan 0.000 0.200 65 D C 2.624 178.964 176.300 0.066 0.000 0.978 65 D CA 3.387 57.439 54.000 0.086 0.000 0.833 65 D CB -0.554 40.293 40.800 0.077 0.000 0.961 65 D HN -0.307 8.096 8.370 0.056 0.000 0.470 66 L N -0.985 120.271 121.223 0.055 0.000 2.056 66 L HA -0.324 nan 4.340 nan 0.000 0.207 66 L C 2.044 178.929 176.870 0.025 0.000 1.078 66 L CA 2.734 57.593 54.840 0.031 0.000 0.749 66 L CB -0.196 41.874 42.059 0.018 0.000 0.901 66 L HN -0.478 7.704 8.230 0.051 0.078 0.433 67 F N 0.697 120.588 119.950 -0.098 0.000 2.069 67 F HA -0.437 nan 4.527 nan 0.000 0.298 67 F C 1.985 177.704 175.800 -0.135 0.000 1.113 67 F CA 3.756 61.664 58.000 -0.154 0.000 1.214 67 F CB 0.052 38.913 39.000 -0.231 0.000 0.978 67 F HN 0.301 8.703 8.300 0.171 0.000 0.474 68 R N -2.579 117.833 120.500 -0.147 0.000 2.152 68 R HA -0.341 nan 4.340 nan 0.000 0.232 68 R C 1.384 177.634 176.300 -0.084 0.000 1.117 68 R CA 2.652 58.677 56.100 -0.125 0.000 0.981 68 R CB -0.356 30.023 30.300 0.133 0.000 0.870 68 R HN 0.015 8.354 8.270 0.115 0.000 0.451 69 N N -3.418 115.241 118.700 -0.068 0.000 2.383 69 N HA 0.007 nan 4.740 nan 0.000 0.192 69 N C -0.048 175.416 175.510 -0.076 0.000 1.141 69 N CA 0.162 53.188 53.050 -0.040 0.000 0.851 69 N CB 0.466 38.948 38.487 -0.009 0.000 0.976 69 N HN -0.555 7.657 8.380 -0.050 0.138 0.465 70 G N -1.484 107.220 108.800 -0.161 0.000 2.229 70 G HA2 -0.316 nan 3.960 nan 0.000 0.189 70 G HA3 -0.316 nan 3.960 nan 0.000 0.189 70 G C -0.801 174.009 174.900 -0.149 0.000 1.000 70 G CA -0.203 44.806 45.100 -0.151 0.000 0.663 70 G HN 0.099 8.034 8.290 -0.258 0.201 0.493 71 D N 3.418 123.738 120.400 -0.133 0.000 2.608 71 D HA 0.242 nan 4.640 nan 0.000 0.224 71 D C 0.956 177.248 176.300 -0.014 0.000 1.123 71 D CA -0.995 52.971 54.000 -0.057 0.000 1.030 71 D CB -0.754 40.035 40.800 -0.017 0.000 1.093 71 D HN -0.287 8.001 8.370 -0.137 0.000 0.497 72 T N -0.347 114.164 114.554 -0.071 0.000 2.881 72 T HA -0.267 nan 4.350 nan 0.000 0.270 72 T C 1.961 176.755 174.700 0.156 0.000 1.068 72 T CA 2.970 65.087 62.100 0.028 0.000 1.131 72 T CB -0.299 68.557 68.868 -0.021 0.000 0.871 72 T HN 0.009 8.151 8.240 -0.093 0.042 0.479 73 D N 2.672 123.102 120.400 0.048 0.000 2.351 73 D HA -0.108 nan 4.640 nan 0.000 0.216 73 D C 1.185 177.451 176.300 -0.056 0.000 0.968 73 D CA 2.416 56.411 54.000 -0.008 0.000 0.899 73 D CB -0.782 39.998 40.800 -0.034 0.000 0.907 73 D HN 0.080 8.429 8.370 0.018 0.032 0.514 74 L N -1.963 119.247 121.223 -0.021 0.000 2.554 74 L HA -0.099 nan 4.340 nan 0.000 0.226 74 L C 1.334 177.967 176.870 -0.395 0.000 1.137 74 L CA 0.602 55.346 54.840 -0.159 0.000 0.863 74 L CB -0.419 41.582 42.059 -0.096 0.000 0.985 74 L HN -0.586 7.650 8.230 0.099 0.053 0.451 75 L N 0.386 121.360 121.223 -0.414 0.000 1.997 75 L HA -0.494 nan 4.340 nan 0.000 0.216 75 L C 1.074 177.524 176.870 -0.699 0.000 1.074 75 L CA 4.019 58.430 54.840 -0.715 0.000 0.763 75 L CB -0.394 41.434 42.059 -0.384 0.000 0.890 75 L HN -0.364 7.722 8.230 -0.134 0.064 0.434 76 S N -2.788 112.581 115.700 -0.552 0.000 2.382 76 S HA -0.325 nan 4.470 nan 0.000 0.228 76 S C 2.165 176.160 174.600 -1.009 0.000 1.027 76 S CA 3.769 61.525 58.200 -0.739 0.000 0.991 76 S CB -1.099 61.788 63.200 -0.522 0.000 0.823 76 S HN 0.355 8.426 8.310 -0.398 0.000 0.469 77 T N 6.057 120.223 114.554 -0.648 0.000 2.708 77 T HA -0.222 nan 4.350 nan 0.000 0.266 77 T C 2.234 176.653 174.700 -0.468 0.000 1.037 77 T CA 4.443 66.264 62.100 -0.464 0.000 1.146 77 T CB -0.554 68.132 68.868 -0.304 0.000 0.865 77 T HN -0.831 7.096 8.240 -0.508 0.008 0.435 78 I N 1.159 121.349 120.570 -0.632 0.000 2.226 78 I HA -0.595 nan 4.170 nan 0.000 0.245 78 I C 1.414 177.102 176.117 -0.714 0.000 1.100 78 I CA 4.581 65.448 61.300 -0.721 0.000 1.374 78 I CB -0.361 36.945 38.000 -1.157 0.000 1.057 78 I HN -0.245 7.552 8.210 -0.689 0.000 0.413 79 E N -0.481 119.155 120.200 -0.940 0.000 2.077 79 E HA -0.449 nan 4.350 nan 0.000 0.193 79 E C 2.585 178.961 176.600 -0.374 0.000 0.989 79 E CA 3.619 59.391 56.400 -1.047 0.000 0.800 79 E CB -0.317 28.486 29.700 -1.494 0.000 0.746 79 E HN -0.080 7.677 8.360 -1.006 0.000 0.452 80 H N 0.159 119.046 119.070 -0.305 0.000 2.353 80 H HA -0.320 nan 4.556 nan 0.000 0.300 80 H C 2.300 177.598 175.328 -0.049 0.000 1.090 80 H CA 2.412 58.387 56.048 -0.122 0.000 1.327 80 H CB 0.235 29.928 29.762 -0.115 0.000 1.383 80 H HN -0.177 7.743 8.280 -0.599 0.000 0.508 81 Y N 1.075 121.335 120.300 -0.067 0.000 2.114 81 Y HA -0.461 nan 4.550 nan 0.000 0.284 81 Y C 1.384 177.268 175.900 -0.027 0.000 1.143 81 Y CA 3.539 61.595 58.100 -0.074 0.000 1.135 81 Y CB -0.296 38.077 38.460 -0.145 0.000 0.980 81 Y HN -0.203 8.029 8.280 0.047 0.076 0.499 82 I N -1.802 118.712 120.570 -0.092 0.000 2.208 82 I HA -0.706 nan 4.170 nan 0.000 0.245 82 I C 2.167 178.286 176.117 0.004 0.000 1.097 82 I CA 4.264 65.527 61.300 -0.061 0.000 1.363 82 I CB -0.224 37.944 38.000 0.280 0.000 1.051 82 I HN 0.012 8.247 8.210 0.041 0.000 0.413 83 S N -0.667 115.133 115.700 0.167 0.000 2.368 83 S HA -0.358 nan 4.470 nan 0.000 0.225 83 S C 2.380 176.964 174.600 -0.026 0.000 1.030 83 S CA 4.026 62.313 58.200 0.144 0.000 0.999 83 S CB -0.250 63.114 63.200 0.273 0.000 0.844 83 S HN 0.088 8.543 8.310 0.242 0.000 0.459 84 S N 0.890 116.537 115.700 -0.089 0.000 2.399 84 S HA -0.323 nan 4.470 nan 0.000 0.231 84 S C 2.153 176.611 174.600 -0.236 0.000 1.022 84 S CA 3.082 61.192 58.200 -0.150 0.000 0.983 84 S CB -0.094 63.027 63.200 -0.133 0.000 0.803 84 S HN 0.029 8.221 8.310 -0.068 0.077 0.480 85 Q N 1.036 120.638 119.800 -0.330 0.000 2.230 85 Q HA -0.188 nan 4.340 nan 0.000 0.202 85 Q C 2.380 178.248 176.000 -0.219 0.000 0.963 85 Q CA 1.870 57.469 55.803 -0.339 0.000 0.866 85 Q CB -0.854 27.602 28.738 -0.471 0.000 0.931 85 Q HN -0.284 7.645 8.270 -0.384 0.111 0.452 86 A N 0.209 122.934 122.820 -0.158 0.000 1.933 86 A HA -0.248 nan 4.320 nan 0.000 0.218 86 A C 2.257 179.769 177.584 -0.118 0.000 1.175 86 A CA 3.034 55.005 52.037 -0.110 0.000 0.628 86 A CB -0.850 18.102 19.000 -0.080 0.000 0.814 86 A HN -0.487 7.573 8.150 -0.150 0.000 0.444 87 I N -1.537 118.951 120.570 -0.136 0.000 2.193 87 I HA -0.428 nan 4.170 nan 0.000 0.240 87 I C 2.181 178.180 176.117 -0.195 0.000 1.084 87 I CA 3.648 64.865 61.300 -0.139 0.000 1.365 87 I CB 0.162 38.085 38.000 -0.128 0.000 1.064 87 I HN -0.931 7.186 8.210 -0.139 0.009 0.410 88 I N -0.417 119.982 120.570 -0.285 0.000 2.194 88 I HA -0.542 nan 4.170 nan 0.000 0.246 88 I C 2.839 178.739 176.117 -0.362 0.000 1.093 88 I CA 3.023 64.041 61.300 -0.469 0.000 1.355 88 I CB -1.505 36.117 38.000 -0.632 0.000 1.046 88 I HN 0.018 8.065 8.210 -0.272 0.000 0.413 89 Q N -1.503 118.161 119.800 -0.227 0.000 2.135 89 Q HA -0.319 nan 4.340 nan 0.000 0.204 89 Q C 1.306 177.252 176.000 -0.090 0.000 0.981 89 Q CA 2.812 58.538 55.803 -0.128 0.000 0.856 89 Q CB -0.062 28.625 28.738 -0.084 0.000 0.902 89 Q HN 0.142 8.269 8.270 -0.220 0.010 0.425 90 G N -4.974 103.768 108.800 -0.097 0.000 2.985 90 G HA2 0.054 nan 3.960 nan 0.000 0.209 90 G HA3 0.054 nan 3.960 nan 0.000 0.209 90 G C -0.632 174.235 174.900 -0.056 0.000 1.165 90 G CA -0.425 44.635 45.100 -0.067 0.000 0.776 90 G HN -0.600 7.505 8.290 -0.120 0.113 0.541 91 V N 1.802 121.673 119.914 -0.071 0.000 2.446 91 V HA -0.185 nan 4.120 nan 0.000 0.276 91 V C -0.334 175.787 176.094 0.046 0.000 1.030 91 V CA 0.310 62.599 62.300 -0.020 0.000 1.033 91 V CB -0.663 31.135 31.823 -0.041 0.000 0.993 91 V HN -0.638 7.293 8.190 -0.123 0.185 0.477 92 S N 8.271 123.985 115.700 0.023 0.000 2.525 92 S HA -0.090 nan 4.470 nan 0.000 0.285 92 S C -1.179 173.444 174.600 0.039 0.000 1.283 92 S CA 1.069 59.280 58.200 0.018 0.000 1.072 92 S CB 0.706 63.905 63.200 -0.002 0.000 0.867 92 S HN 0.341 8.655 8.310 0.006 0.000 0.492 93 N N 6.245 124.961 118.700 0.027 0.000 2.902 93 N HA 0.406 nan 4.740 nan 0.000 0.268 93 N C -1.292 174.194 175.510 -0.041 0.000 1.450 93 N CA -1.409 51.640 53.050 -0.002 0.000 0.819 93 N CB -0.425 38.070 38.487 0.013 0.000 1.540 93 N HN 0.058 8.447 8.380 0.015 0.000 0.545 94 P HA -0.102 nan 4.420 nan 0.000 0.221 94 P C -0.284 176.990 177.300 -0.042 0.000 1.145 94 P CA 2.186 65.251 63.100 -0.060 0.000 0.795 94 P CB 0.096 31.752 31.700 -0.073 0.000 0.775 95 S N -2.884 112.787 115.700 -0.049 0.000 2.527 95 S HA 0.058 nan 4.470 nan 0.000 0.222 95 S C -0.253 174.330 174.600 -0.027 0.000 0.985 95 S CA 1.204 59.383 58.200 -0.034 0.000 0.921 95 S CB 1.124 64.300 63.200 -0.041 0.000 0.772 95 S HN 0.091 8.735 8.310 -0.071 -0.376 0.529 96 G N -0.742 108.044 108.800 -0.025 0.000 2.293 96 G HA2 -0.183 nan 3.960 nan 0.000 0.282 96 G HA3 -0.183 nan 3.960 nan 0.000 0.282 96 G C -2.576 172.311 174.900 -0.022 0.000 1.299 96 G CA -0.554 44.531 45.100 -0.024 0.000 1.018 96 G HN -0.529 7.695 8.290 -0.025 0.051 0.478 97 D N -0.839 119.538 120.400 -0.039 0.000 2.549 97 D HA 0.528 nan 4.640 nan 0.000 0.270 97 D C 0.956 177.205 176.300 -0.085 0.000 1.181 97 D CA -1.685 52.287 54.000 -0.048 0.000 1.070 97 D CB 2.014 42.783 40.800 -0.053 0.000 1.154 97 D HN -0.042 8.301 8.370 -0.045 0.000 0.602 98 L N -0.060 121.106 121.223 -0.094 0.000 2.021 98 L HA -0.292 nan 4.340 nan 0.000 0.215 98 L C 0.667 177.318 176.870 -0.365 0.000 1.074 98 L CA 3.001 57.759 54.840 -0.136 0.000 0.760 98 L CB 0.109 42.121 42.059 -0.078 0.000 0.889 98 L HN 0.304 8.492 8.230 -0.069 0.000 0.433 99 S N -5.868 109.587 115.700 -0.408 0.000 2.556 99 S HA 0.005 nan 4.470 nan 0.000 0.216 99 S C 0.462 174.792 174.600 -0.450 0.000 0.970 99 S CA 1.062 58.792 58.200 -0.784 0.000 0.912 99 S CB -0.247 62.745 63.200 -0.346 0.000 0.790 99 S HN -0.091 8.080 8.310 -0.231 0.000 0.504 100 S N -0.846 114.721 115.700 -0.222 0.000 2.754 100 S HA 0.166 nan 4.470 nan 0.000 0.247 100 S C 0.044 174.640 174.600 -0.007 0.000 1.031 100 S CA -0.009 58.151 58.200 -0.067 0.000 1.014 100 S CB 1.195 64.368 63.200 -0.045 0.000 0.918 100 S HN -0.423 7.584 8.310 -0.205 0.180 0.519 104 L N 1.328 122.478 121.223 -0.122 0.000 2.275 104 L HA -0.161 nan 4.340 nan 0.000 0.215 104 L C 0.601 177.192 176.870 -0.464 0.000 1.119 104 L CA 1.124 55.809 54.840 -0.257 0.000 0.790 104 L CB -0.089 41.799 42.059 -0.286 0.000 0.919 104 L HN 0.213 8.364 8.230 -0.072 0.036 0.443 105 G N -2.493 105.986 108.800 -0.534 0.000 2.920 105 G HA2 -0.117 nan 3.960 nan 0.000 0.208 105 G HA3 -0.117 nan 3.960 nan 0.000 0.208 105 G C -1.369 173.472 174.900 -0.099 0.000 1.159 105 G CA -0.437 44.460 45.100 -0.337 0.000 0.784 105 G HN -0.409 7.623 8.290 -0.359 0.042 0.535 106 E N 1.506 121.644 120.200 -0.102 0.000 2.417 106 E HA 0.070 nan 4.350 nan 0.000 0.261 106 E C -1.409 175.072 176.600 -0.198 0.000 1.000 106 E CA -2.209 54.082 56.400 -0.181 0.000 0.919 106 E CB 0.382 29.886 29.700 -0.326 0.000 0.955 106 E HN -0.781 7.456 8.360 -0.091 0.069 0.455 107 P HA -0.098 nan 4.420 nan 0.000 0.214 107 P C -1.767 175.324 177.300 -0.349 0.000 1.162 107 P CA 1.789 64.832 63.100 -0.094 0.000 0.879 107 P CB 0.404 32.166 31.700 0.105 0.000 0.786 108 K N -6.106 113.805 120.400 -0.816 0.000 2.509 108 K HA 0.753 nan 4.320 nan 0.000 0.266 108 K C -1.920 174.044 176.600 -1.060 0.000 0.987 108 K CA -1.129 54.555 56.287 -1.006 0.000 0.868 108 K CB 4.028 35.405 32.500 -1.872 0.000 1.421 108 K HN -0.852 6.887 8.250 -0.851 0.000 0.444 109 F N -3.663 116.036 119.950 -0.419 0.000 2.650 109 F HA 0.432 nan 4.527 nan 0.000 0.320 109 F C -0.981 174.753 175.800 -0.110 0.000 1.091 109 F CA -1.649 56.227 58.000 -0.206 0.000 0.962 109 F CB 3.713 42.633 39.000 -0.133 0.000 1.363 109 F HN 0.585 8.761 8.300 -0.207 0.000 0.482 110 N N 0.210 119.030 118.700 0.200 0.000 2.503 110 N HA 0.217 nan 4.740 nan 0.000 0.267 110 N C 1.764 177.286 175.510 0.020 0.000 1.214 110 N CA 0.674 53.805 53.050 0.134 0.000 0.959 110 N CB 0.740 39.306 38.487 0.131 0.000 1.142 110 N HN 0.218 8.742 8.380 0.239 0.000 0.455 111 V N -3.987 115.858 119.914 -0.116 0.000 2.867 111 V HA -0.203 nan 4.120 nan 0.000 0.260 111 V C 0.143 176.182 176.094 -0.091 0.000 1.099 111 V CA 2.643 64.839 62.300 -0.174 0.000 1.122 111 V CB -0.646 30.917 31.823 -0.433 0.000 0.708 111 V HN 0.646 8.726 8.190 -0.183 0.000 0.490 112 D N -2.815 117.560 120.400 -0.043 0.000 2.328 112 D HA -0.065 nan 4.640 nan 0.000 0.221 112 D C 0.117 176.400 176.300 -0.028 0.000 1.072 112 D CA -0.685 53.301 54.000 -0.024 0.000 0.850 112 D CB -1.039 39.761 40.800 0.001 0.000 0.922 112 D HN -0.045 8.262 8.370 -0.027 0.047 0.516 113 E N -5.625 114.556 120.200 -0.032 0.000 3.547 113 E HA -0.410 nan 4.350 nan 0.000 0.309 113 E C -0.489 176.101 176.600 -0.015 0.000 0.855 113 E CA 0.670 57.031 56.400 -0.065 0.000 1.122 113 E CB -1.952 27.682 29.700 -0.110 0.000 1.569 113 E HN 0.114 8.271 8.360 -0.025 0.189 0.429 114 T N -5.253 109.330 114.554 0.049 0.000 2.934 114 T HA 0.268 nan 4.350 nan 0.000 0.283 114 T C -1.132 173.674 174.700 0.176 0.000 1.005 114 T CA -2.279 59.868 62.100 0.077 0.000 1.041 114 T CB 2.278 71.175 68.868 0.050 0.000 1.042 114 T HN -0.554 7.908 8.240 0.049 -0.193 0.505 115 A N 1.516 124.430 122.820 0.156 0.000 2.407 115 A HA 0.157 nan 4.320 nan 0.000 0.248 115 A C -1.385 176.219 177.584 0.034 0.000 1.082 115 A CA 0.044 52.165 52.037 0.140 0.000 0.785 115 A CB 0.584 19.619 19.000 0.058 0.000 1.020 115 A HN 0.238 8.447 8.150 0.098 0.000 0.489 116 Y N 2.621 122.792 120.300 -0.215 0.000 2.367 116 Y HA -0.020 nan 4.550 nan 0.000 0.342 116 Y C -0.877 174.883 175.900 -0.235 0.000 0.979 116 Y CA -0.349 57.592 58.100 -0.264 0.000 1.161 116 Y CB 1.088 39.229 38.460 -0.532 0.000 1.155 116 Y HN 0.304 8.500 8.280 -0.140 0.000 0.503 117 T N 1.932 116.098 114.554 -0.647 0.000 3.086 117 T HA 0.161 nan 4.350 nan 0.000 0.250 117 T C 0.506 174.908 174.700 -0.496 0.000 1.074 117 T CA -1.124 60.706 62.100 -0.450 0.000 0.988 117 T CB -0.250 68.463 68.868 -0.258 0.000 0.988 117 T HN 0.085 7.946 8.240 -0.632 0.000 0.530 118 G N 0.273 108.526 108.800 -0.911 0.000 2.621 118 G HA2 0.056 nan 3.960 nan 0.000 0.271 118 G HA3 0.056 nan 3.960 nan 0.000 0.271 118 G C -0.430 174.418 174.900 -0.087 0.000 1.236 118 G CA -1.088 43.749 45.100 -0.438 0.000 0.958 118 G HN -0.469 6.710 8.290 -1.852 0.000 0.512 119 S N -0.156 115.586 115.700 0.069 0.000 2.562 119 S HA -0.061 nan 4.470 nan 0.000 0.281 119 S C -0.557 174.250 174.600 0.344 0.000 1.333 119 S CA 1.047 59.328 58.200 0.134 0.000 1.052 119 S CB 0.634 63.878 63.200 0.074 0.000 0.884 119 S HN 0.311 8.648 8.310 0.046 0.000 0.506 120 W N 3.353 124.616 121.300 -0.061 0.000 3.153 120 W HA 0.042 nan 4.660 nan 0.000 0.316 120 W C -1.607 174.741 176.519 -0.284 0.000 1.255 120 W CA -0.236 57.033 57.345 -0.128 0.000 1.192 120 W CB 3.486 32.883 29.460 -0.105 0.000 1.400 120 W HN 0.253 8.514 8.180 0.135 0.000 0.568 121 G N 2.574 110.890 108.800 -0.806 0.000 2.588 121 G HA2 -0.129 nan 3.960 nan 0.000 0.297 121 G HA3 -0.129 nan 3.960 nan 0.000 0.297 121 G C -1.783 172.760 174.900 -0.595 0.000 0.874 121 G CA 0.019 44.338 45.100 -1.302 0.000 1.607 121 G HN 0.254 7.717 8.290 -1.378 0.000 0.486 122 R N 3.372 123.754 120.500 -0.197 0.000 2.807 122 R HA 0.551 nan 4.340 nan 0.000 0.276 122 R C -2.745 173.707 176.300 0.254 0.000 0.979 122 R CA -3.610 52.559 56.100 0.115 0.000 0.928 122 R CB 1.036 31.382 30.300 0.077 0.000 1.191 122 R HN -0.753 7.385 8.270 -0.220 0.000 0.471 123 P HA 0.172 nan 4.420 nan 0.000 0.281 123 P C -1.634 175.807 177.300 0.235 0.000 1.281 123 P CA -1.264 61.936 63.100 0.166 0.000 0.811 123 P CB 1.546 33.321 31.700 0.124 0.000 1.154 124 Q N -1.180 118.735 119.800 0.191 0.000 2.394 124 Q HA 0.380 nan 4.340 nan 0.000 0.261 124 Q C 0.510 176.625 176.000 0.192 0.000 1.023 124 Q CA -1.160 54.772 55.803 0.214 0.000 0.720 124 Q CB 1.964 30.832 28.738 0.217 0.000 1.241 124 Q HN 0.214 8.564 8.270 0.133 0.000 0.483 125 R N 4.026 124.670 120.500 0.240 0.000 2.323 125 R HA -0.231 nan 4.340 nan 0.000 0.198 125 R C 0.373 176.820 176.300 0.244 0.000 0.988 125 R CA 1.951 58.239 56.100 0.315 0.000 1.041 125 R CB -0.380 30.151 30.300 0.384 0.000 0.926 125 R HN 0.585 8.998 8.270 0.238 0.000 0.476 126 D N -2.248 118.263 120.400 0.185 0.000 2.234 126 D HA -0.112 nan 4.640 nan 0.000 0.205 126 D C 1.225 177.582 176.300 0.096 0.000 0.962 126 D CA 1.940 56.020 54.000 0.133 0.000 0.855 126 D CB -0.879 40.060 40.800 0.233 0.000 0.951 126 D HN -0.080 8.344 8.370 0.196 0.064 0.500 127 G N 0.820 109.680 108.800 0.100 0.000 2.514 127 G HA2 -0.246 nan 3.960 nan 0.000 0.217 127 G HA3 -0.246 nan 3.960 nan 0.000 0.217 127 G C -1.043 173.881 174.900 0.039 0.000 1.198 127 G CA 3.065 48.204 45.100 0.066 0.000 0.780 127 G HN -0.484 7.878 8.290 0.121 0.000 0.565 128 P HA -0.176 nan 4.420 nan 0.000 0.216 128 P C 1.350 178.695 177.300 0.075 0.000 1.150 128 P CA 2.900 66.018 63.100 0.029 0.000 0.837 128 P CB -0.437 31.266 31.700 0.005 0.000 0.786 129 A N -2.746 120.119 122.820 0.076 0.000 1.877 129 A HA -0.156 nan 4.320 nan 0.000 0.216 129 A C 2.387 179.956 177.584 -0.026 0.000 1.186 129 A CA 2.974 55.026 52.037 0.025 0.000 0.620 129 A CB -0.763 18.225 19.000 -0.019 0.000 0.822 129 A HN -0.589 7.605 8.150 0.094 0.013 0.443 130 L N -2.217 118.985 121.223 -0.035 0.000 2.046 130 L HA -0.430 nan 4.340 nan 0.000 0.208 130 L C 2.277 179.140 176.870 -0.011 0.000 1.077 130 L CA 2.926 57.732 54.840 -0.057 0.000 0.747 130 L CB -0.459 41.563 42.059 -0.062 0.000 0.896 130 L HN -0.115 8.105 8.230 -0.016 0.000 0.432 131 R N -0.732 119.791 120.500 0.039 0.000 2.075 131 R HA -0.388 nan 4.340 nan 0.000 0.232 131 R C 1.956 178.309 176.300 0.088 0.000 1.126 131 R CA 3.494 59.654 56.100 0.100 0.000 0.963 131 R CB -0.116 30.248 30.300 0.107 0.000 0.858 131 R HN 0.377 8.670 8.270 0.037 0.000 0.435 132 A N -2.105 120.753 122.820 0.063 0.000 1.902 132 A HA -0.269 nan 4.320 nan 0.000 0.217 132 A C 2.085 179.686 177.584 0.028 0.000 1.181 132 A CA 3.389 55.465 52.037 0.065 0.000 0.623 132 A CB -0.956 18.093 19.000 0.082 0.000 0.818 132 A HN 0.130 8.314 8.150 0.057 0.000 0.443 133 T N 0.848 115.398 114.554 -0.005 0.000 2.788 133 T HA -0.351 nan 4.350 nan 0.000 0.268 133 T C 1.890 176.584 174.700 -0.010 0.000 1.044 133 T CA 5.098 67.178 62.100 -0.033 0.000 1.139 133 T CB -0.512 68.307 68.868 -0.083 0.000 0.867 133 T HN -0.177 8.055 8.240 -0.013 0.000 0.454 134 A N 1.245 124.068 122.820 0.005 0.000 1.898 134 A HA -0.206 nan 4.320 nan 0.000 0.216 134 A C 1.965 179.588 177.584 0.065 0.000 1.181 134 A CA 3.155 55.198 52.037 0.009 0.000 0.620 134 A CB -0.816 18.166 19.000 -0.031 0.000 0.819 134 A HN -0.317 7.838 8.150 0.008 0.000 0.442 135 M N -1.483 118.178 119.600 0.102 0.000 2.156 135 M HA -0.389 nan 4.480 nan 0.000 0.264 135 M C 2.296 178.604 176.300 0.015 0.000 1.067 135 M CA 4.072 59.451 55.300 0.131 0.000 1.131 135 M CB 0.201 32.886 32.600 0.142 0.000 1.368 135 M HN -0.418 7.933 8.290 0.102 0.000 0.416 136 I N -0.887 119.609 120.570 -0.123 0.000 2.264 136 I HA -0.537 nan 4.170 nan 0.000 0.248 136 I C 1.863 177.846 176.117 -0.224 0.000 1.111 136 I CA 4.212 65.269 61.300 -0.404 0.000 1.382 136 I CB -0.540 37.300 38.000 -0.266 0.000 1.060 136 I HN 0.467 8.643 8.210 -0.056 0.000 0.418 137 G N -1.011 107.779 108.800 -0.016 0.000 2.418 137 G HA2 -0.342 nan 3.960 nan 0.000 0.217 137 G HA3 -0.342 nan 3.960 nan 0.000 0.217 137 G C 0.891 175.912 174.900 0.202 0.000 1.158 137 G CA 2.395 47.549 45.100 0.091 0.000 0.771 137 G HN -0.444 7.833 8.290 -0.002 0.012 0.545 138 F N 2.965 122.949 119.950 0.057 0.000 2.206 138 F HA -0.099 nan 4.527 nan 0.000 0.298 138 F C 1.263 177.210 175.800 0.246 0.000 1.090 138 F CA 1.212 59.295 58.000 0.139 0.000 1.323 138 F CB 0.145 39.171 39.000 0.043 0.000 1.028 138 F HN -0.950 7.430 8.300 0.271 0.083 0.492 139 G N -1.644 107.225 108.800 0.115 0.000 2.442 139 G HA2 -0.436 nan 3.960 nan 0.000 0.219 139 G HA3 -0.436 nan 3.960 nan 0.000 0.219 139 G C 0.985 176.037 174.900 0.253 0.000 1.141 139 G CA 2.151 47.332 45.100 0.136 0.000 0.763 139 G HN 0.425 8.772 8.290 0.095 0.000 0.554 140 Q N 1.899 121.792 119.800 0.156 0.000 2.046 140 Q HA -0.339 nan 4.340 nan 0.000 0.200 140 Q C 1.943 178.056 176.000 0.189 0.000 0.975 140 Q CA 2.894 58.826 55.803 0.214 0.000 0.836 140 Q CB -0.102 28.734 28.738 0.163 0.000 0.896 140 Q HN -0.144 8.130 8.270 0.030 0.013 0.428 141 W N 0.855 122.170 121.300 0.024 0.000 2.335 141 W HA -0.405 nan 4.660 nan 0.000 0.311 141 W C 1.730 178.253 176.519 0.005 0.000 1.213 141 W CA 4.194 61.553 57.345 0.023 0.000 1.274 141 W CB 0.017 29.517 29.460 0.066 0.000 1.148 141 W HN -0.591 7.716 8.180 0.332 0.073 0.498 142 L N -2.199 119.107 121.223 0.137 0.000 2.013 142 L HA -0.609 nan 4.340 nan 0.000 0.212 142 L C 2.209 179.089 176.870 0.017 0.000 1.073 142 L CA 3.540 58.436 54.840 0.093 0.000 0.753 142 L CB -0.450 41.688 42.059 0.132 0.000 0.890 142 L HN 0.185 8.494 8.230 0.133 0.000 0.432 143 L N -1.494 119.761 121.223 0.052 0.000 2.017 143 L HA -0.483 nan 4.340 nan 0.000 0.208 143 L C 2.815 179.626 176.870 -0.099 0.000 1.073 143 L CA 3.067 57.910 54.840 0.006 0.000 0.745 143 L CB -0.632 41.465 42.059 0.064 0.000 0.894 143 L HN -0.074 8.234 8.230 0.130 0.000 0.432 144 D N -0.187 120.132 120.400 -0.136 0.000 2.178 144 D HA -0.207 nan 4.640 nan 0.000 0.201 144 D C 1.519 177.632 176.300 -0.311 0.000 0.980 144 D CA 2.746 56.629 54.000 -0.196 0.000 0.842 144 D CB -0.389 40.300 40.800 -0.186 0.000 0.948 144 D HN 0.089 8.406 8.370 -0.088 0.000 0.472 145 N N -3.113 115.300 118.700 -0.480 0.000 2.295 145 N HA 0.145 nan 4.740 nan 0.000 0.221 145 N C -0.069 175.120 175.510 -0.535 0.000 1.129 145 N CA -0.016 52.710 53.050 -0.540 0.000 0.836 145 N CB 0.535 38.474 38.487 -0.914 0.000 1.040 145 N HN -0.342 7.711 8.380 -0.509 0.022 0.494 146 G N -2.476 106.085 108.800 -0.399 0.000 2.147 146 G HA2 -0.303 nan 3.960 nan 0.000 0.244 146 G HA3 -0.303 nan 3.960 nan 0.000 0.244 146 G C 0.098 174.716 174.900 -0.470 0.000 1.005 146 G CA 0.528 45.379 45.100 -0.416 0.000 0.713 146 G HN -0.534 7.507 8.290 -0.293 0.073 0.515 147 Y N -0.688 119.570 120.300 -0.071 0.000 2.783 147 Y HA 0.252 nan 4.550 nan 0.000 0.382 147 Y C -0.111 175.807 175.900 0.030 0.000 1.076 147 Y CA -2.650 55.459 58.100 0.015 0.000 1.530 147 Y CB -1.893 36.614 38.460 0.079 0.000 1.546 147 Y HN 0.035 8.265 8.280 -0.083 0.000 0.537 148 T N 2.244 116.842 114.554 0.074 0.000 2.720 148 T HA -0.426 nan 4.350 nan 0.000 0.268 148 T C 1.591 176.340 174.700 0.081 0.000 1.037 148 T CA 4.534 66.663 62.100 0.050 0.000 1.144 148 T CB -0.260 68.602 68.868 -0.010 0.000 0.864 148 T HN -0.235 7.932 8.240 -0.005 0.070 0.444 149 S N 2.080 117.834 115.700 0.090 0.000 2.353 149 S HA -0.396 nan 4.470 nan 0.000 0.222 149 S C 1.509 176.166 174.600 0.096 0.000 1.035 149 S CA 3.300 61.548 58.200 0.081 0.000 1.025 149 S CB -0.500 62.745 63.200 0.076 0.000 0.902 149 S HN 0.019 8.383 8.310 0.090 0.000 0.440 150 A N 0.970 123.877 122.820 0.145 0.000 1.908 150 A HA -0.223 nan 4.320 nan 0.000 0.218 150 A C 1.692 179.383 177.584 0.179 0.000 1.181 150 A CA 2.687 54.800 52.037 0.127 0.000 0.627 150 A CB -1.011 18.153 19.000 0.272 0.000 0.818 150 A HN -0.365 7.904 8.150 0.198 0.000 0.445 151 A N -3.243 119.716 122.820 0.232 0.000 1.873 151 A HA -0.348 nan 4.320 nan 0.000 0.215 151 A C 1.830 179.588 177.584 0.291 0.000 1.186 151 A CA 3.338 55.566 52.037 0.318 0.000 0.616 151 A CB -0.474 18.704 19.000 0.297 0.000 0.823 151 A HN -0.332 7.949 8.150 0.218 0.000 0.442 152 T N -4.216 110.434 114.554 0.160 0.000 2.896 152 T HA -0.182 nan 4.350 nan 0.000 0.263 152 T C 2.112 176.935 174.700 0.204 0.000 1.050 152 T CA 2.775 64.966 62.100 0.151 0.000 1.140 152 T CB -0.261 68.635 68.868 0.047 0.000 0.877 152 T HN 0.136 8.448 8.240 0.120 0.000 0.457 153 E N -0.645 119.626 120.200 0.120 0.000 2.340 153 E HA 0.023 nan 4.350 nan 0.000 0.194 153 E C 0.714 177.327 176.600 0.021 0.000 0.996 153 E CA 1.874 58.314 56.400 0.067 0.000 0.869 153 E CB 0.924 30.636 29.700 0.019 0.000 0.835 153 E HN -0.062 8.357 8.360 0.098 0.000 0.493 154 I N -3.170 117.409 120.570 0.014 0.000 3.196 154 I HA -0.033 nan 4.170 nan 0.000 0.248 154 I C 1.170 177.337 176.117 0.083 0.000 1.105 154 I CA 1.882 63.148 61.300 -0.058 0.000 1.482 154 I CB 1.940 39.751 38.000 -0.314 0.000 1.400 154 I HN -0.563 7.682 8.210 0.059 0.000 0.464 155 V N 0.120 120.168 119.914 0.223 0.000 2.237 155 V HA -0.411 nan 4.120 nan 0.000 0.245 155 V C 1.337 177.686 176.094 0.425 0.000 1.046 155 V CA 4.871 67.377 62.300 0.344 0.000 1.007 155 V CB -0.642 31.454 31.823 0.455 0.000 0.638 155 V HN -0.429 7.897 8.190 0.227 0.000 0.445 156 W N -0.432 121.088 121.300 0.367 0.000 2.317 156 W HA -0.331 nan 4.660 nan 0.000 0.318 156 W C -1.645 174.999 176.519 0.207 0.000 1.227 156 W CA 4.230 61.780 57.345 0.342 0.000 1.269 156 W CB -2.430 27.099 29.460 0.116 0.000 1.155 156 W HN 0.381 8.952 8.180 0.652 0.000 0.484 157 P HA -0.287 nan 4.420 nan 0.000 0.218 157 P C 1.427 178.590 177.300 -0.227 0.000 1.148 157 P CA 3.277 66.162 63.100 -0.358 0.000 0.822 157 P CB -0.470 31.143 31.700 -0.145 0.000 0.784 158 L N -2.919 118.256 121.223 -0.080 0.000 2.072 158 L HA -0.294 nan 4.340 nan 0.000 0.205 158 L C 2.052 178.912 176.870 -0.017 0.000 1.079 158 L CA 3.023 57.843 54.840 -0.034 0.000 0.752 158 L CB -0.239 41.825 42.059 0.008 0.000 0.906 158 L HN -0.822 7.387 8.230 -0.014 0.013 0.436 159 V N -0.325 119.605 119.914 0.026 0.000 2.343 159 V HA -0.501 nan 4.120 nan 0.000 0.247 159 V C 1.878 177.967 176.094 -0.009 0.000 1.051 159 V CA 4.373 66.726 62.300 0.087 0.000 1.036 159 V CB -1.000 30.995 31.823 0.287 0.000 0.654 159 V HN 0.193 8.429 8.190 0.077 0.000 0.451 160 R N -1.074 119.222 120.500 -0.340 0.000 2.105 160 R HA -0.485 nan 4.340 nan 0.000 0.239 160 R C 1.918 178.172 176.300 -0.076 0.000 1.135 160 R CA 3.880 59.751 56.100 -0.382 0.000 0.967 160 R CB -0.295 29.470 30.300 -0.891 0.000 0.861 160 R HN 0.557 8.513 8.270 -0.522 0.000 0.442 161 N N -1.134 117.526 118.700 -0.067 0.000 2.058 161 N HA -0.276 nan 4.740 nan 0.000 0.191 161 N C 2.265 177.883 175.510 0.179 0.000 1.037 161 N CA 3.168 56.255 53.050 0.062 0.000 0.848 161 N CB -0.747 37.810 38.487 0.115 0.000 1.021 161 N HN -0.603 7.695 8.380 -0.117 0.012 0.422 162 D N 0.867 121.361 120.400 0.156 0.000 2.117 162 D HA -0.200 nan 4.640 nan 0.000 0.197 162 D C 2.493 178.960 176.300 0.279 0.000 0.987 162 D CA 3.363 57.485 54.000 0.204 0.000 0.829 162 D CB -0.099 40.779 40.800 0.129 0.000 0.961 162 D HN -0.763 7.665 8.370 0.097 0.000 0.460 163 L N -1.490 119.896 121.223 0.270 0.000 2.093 163 L HA -0.369 nan 4.340 nan 0.000 0.208 163 L C 2.148 179.284 176.870 0.443 0.000 1.085 163 L CA 3.151 58.210 54.840 0.365 0.000 0.755 163 L CB -0.294 42.011 42.059 0.409 0.000 0.904 163 L HN 0.169 8.531 8.230 0.220 0.000 0.435 164 S N -0.023 115.827 115.700 0.251 0.000 2.368 164 S HA -0.337 nan 4.470 nan 0.000 0.225 164 S C 1.797 176.406 174.600 0.014 0.000 1.030 164 S CA 4.087 62.129 58.200 -0.264 0.000 0.999 164 S CB -0.321 62.332 63.200 -0.911 0.000 0.844 164 S HN -0.433 7.989 8.310 0.205 0.011 0.459 165 Y N 2.508 122.930 120.300 0.203 0.000 2.145 165 Y HA -0.439 nan 4.550 nan 0.000 0.286 165 Y C 1.393 177.511 175.900 0.364 0.000 1.145 165 Y CA 3.941 62.284 58.100 0.404 0.000 1.148 165 Y CB 0.163 38.860 38.460 0.395 0.000 0.981 165 Y HN -0.466 7.997 8.280 0.429 0.075 0.507 166 V N -1.355 118.843 119.914 0.474 0.000 2.295 166 V HA -0.589 nan 4.120 nan 0.000 0.246 166 V C 1.890 178.200 176.094 0.361 0.000 1.049 166 V CA 4.174 66.713 62.300 0.398 0.000 1.024 166 V CB -1.189 30.831 31.823 0.329 0.000 0.648 166 V HN -0.269 8.222 8.190 0.501 0.000 0.447 167 A N -2.956 120.065 122.820 0.335 0.000 1.969 167 A HA -0.338 nan 4.320 nan 0.000 0.218 167 A C 2.261 179.982 177.584 0.228 0.000 1.169 167 A CA 3.043 55.310 52.037 0.383 0.000 0.635 167 A CB -0.586 18.680 19.000 0.444 0.000 0.810 167 A HN -0.097 8.254 8.150 0.336 0.000 0.445 168 Q N -1.189 118.580 119.800 -0.052 0.000 2.187 168 Q HA -0.178 nan 4.340 nan 0.000 0.199 168 Q C 1.369 177.012 176.000 -0.595 0.000 0.957 168 Q CA 2.542 58.102 55.803 -0.406 0.000 0.857 168 Q CB 0.684 29.027 28.738 -0.659 0.000 0.929 168 Q HN -0.412 7.821 8.270 -0.023 0.022 0.453 169 Y N -4.781 115.394 120.300 -0.207 0.000 2.588 169 Y HA 0.273 nan 4.550 nan 0.000 0.247 169 Y C 0.668 176.487 175.900 -0.135 0.000 1.157 169 Y CA -0.877 57.063 58.100 -0.268 0.000 1.215 169 Y CB 0.865 39.048 38.460 -0.461 0.000 1.245 169 Y HN -0.411 7.809 8.280 -0.100 0.000 0.534 170 W N 1.158 122.510 121.300 0.088 0.000 2.342 170 W HA -0.447 nan 4.660 nan 0.000 0.297 170 W C -0.781 175.805 176.519 0.113 0.000 1.213 170 W CA 2.561 59.980 57.345 0.124 0.000 1.251 170 W CB -1.267 28.271 29.460 0.131 0.000 1.136 170 W HN -0.654 7.688 8.180 0.269 0.000 0.526 171 N N -1.386 116.811 118.700 -0.838 0.000 2.362 171 N HA 0.005 nan 4.740 nan 0.000 0.211 171 N C -0.650 174.623 175.510 -0.395 0.000 1.170 171 N CA -0.181 52.316 53.050 -0.922 0.000 0.828 171 N CB -0.049 37.448 38.487 -1.651 0.000 1.034 171 N HN -0.127 7.473 8.380 -1.260 0.023 0.475 172 Q N -1.387 118.321 119.800 -0.155 0.000 2.377 172 Q HA 0.287 nan 4.340 nan 0.000 0.271 172 Q C -0.646 175.370 176.000 0.026 0.000 1.077 172 Q CA -1.455 54.312 55.803 -0.059 0.000 0.820 172 Q CB 2.952 31.690 28.738 -0.001 0.000 1.347 172 Q HN -0.519 7.610 8.270 -0.072 0.099 0.444 173 T N -0.815 113.748 114.554 0.015 0.000 2.802 173 T HA 0.397 nan 4.350 nan 0.000 0.305 173 T C -0.550 174.168 174.700 0.031 0.000 1.053 173 T CA -1.071 61.050 62.100 0.036 0.000 1.058 173 T CB 0.749 69.614 68.868 -0.006 0.000 0.988 173 T HN 0.134 8.365 8.240 -0.015 0.000 0.539 174 G N -0.404 108.404 108.800 0.013 0.000 2.488 174 G HA2 0.506 nan 3.960 nan 0.000 0.301 174 G HA3 0.506 nan 3.960 nan 0.000 0.301 174 G C -2.812 172.055 174.900 -0.056 0.000 1.339 174 G CA 0.767 45.885 45.100 0.031 0.000 0.803 174 G HN 0.027 8.321 8.290 0.005 0.000 0.482 175 Y N -0.855 119.496 120.300 0.086 0.000 2.301 175 Y HA 0.195 nan 4.550 nan 0.000 0.328 175 Y C -0.008 175.941 175.900 0.082 0.000 1.242 175 Y CA 0.765 58.907 58.100 0.070 0.000 1.323 175 Y CB 1.068 39.555 38.460 0.045 0.000 1.266 175 Y HN 0.251 8.754 8.280 0.371 0.000 0.527 176 D N -0.635 119.875 120.400 0.184 0.000 2.414 176 D HA -0.036 nan 4.640 nan 0.000 0.251 176 D C 1.574 177.909 176.300 0.059 0.000 1.252 176 D CA -0.820 53.236 54.000 0.092 0.000 0.999 176 D CB 0.967 41.780 40.800 0.021 0.000 1.093 176 D HN -0.262 8.217 8.370 0.182 0.000 0.515 177 L N -7.796 113.339 121.223 -0.146 0.000 2.191 177 L HA -0.083 nan 4.340 nan 0.000 0.212 177 L C 0.281 177.105 176.870 -0.077 0.000 1.103 177 L CA 2.232 56.920 54.840 -0.253 0.000 0.769 177 L CB -0.566 41.025 42.059 -0.780 0.000 0.908 177 L HN 0.247 8.346 8.230 -0.217 0.000 0.438 178 W N -4.281 117.031 121.300 0.021 0.000 3.256 178 W HA -0.046 nan 4.660 nan 0.000 0.269 178 W C -0.680 175.839 176.519 0.001 0.000 1.310 178 W CA -1.545 55.799 57.345 -0.001 0.000 1.673 178 W CB 0.288 29.736 29.460 -0.020 0.000 1.115 178 W HN -0.961 7.277 8.180 -0.167 -0.159 0.686 179 E N -5.520 114.815 120.200 0.226 0.000 2.637 179 E HA -0.541 nan 4.350 nan 0.000 0.265 179 E C -0.511 176.112 176.600 0.039 0.000 1.073 179 E CA 1.382 57.838 56.400 0.095 0.000 0.778 179 E CB -2.836 26.847 29.700 -0.027 0.000 1.362 179 E HN 0.101 8.379 8.360 0.207 0.206 0.413 180 E N -5.276 115.050 120.200 0.211 0.000 2.444 180 E HA 0.141 nan 4.350 nan 0.000 0.209 180 E C -0.152 176.605 176.600 0.263 0.000 0.806 180 E CA 0.513 57.023 56.400 0.183 0.000 1.240 180 E CB 2.305 32.067 29.700 0.103 0.000 1.238 180 E HN -0.200 8.589 8.360 0.248 -0.280 0.591 181 V N 1.568 121.589 119.914 0.178 0.000 2.364 181 V HA 0.071 nan 4.120 nan 0.000 0.272 181 V C -1.564 174.409 176.094 -0.201 0.000 1.036 181 V CA -0.903 61.406 62.300 0.015 0.000 0.880 181 V CB -0.168 31.649 31.823 -0.010 0.000 0.991 181 V HN 0.034 8.712 8.190 0.182 -0.379 0.460 182 N N 7.998 126.435 118.700 -0.438 0.000 2.439 182 N HA 0.153 nan 4.740 nan 0.000 0.243 182 N C -0.443 174.912 175.510 -0.258 0.000 1.088 182 N CA 0.274 52.896 53.050 -0.713 0.000 0.940 182 N CB 0.329 38.361 38.487 -0.759 0.000 1.180 182 N HN 0.415 8.642 8.380 -0.256 0.000 0.505 183 G N 5.290 114.008 108.800 -0.137 0.000 2.619 183 G HA2 0.186 nan 3.960 nan 0.000 0.146 183 G HA3 0.186 nan 3.960 nan 0.000 0.146 183 G C -2.752 172.227 174.900 0.131 0.000 1.192 183 G CA 0.461 45.574 45.100 0.023 0.000 1.063 183 G HN 0.522 8.720 8.290 -0.155 0.000 0.538 184 S N 0.376 116.243 115.700 0.279 0.000 2.561 184 S HA 0.489 nan 4.470 nan 0.000 0.303 184 S C -1.663 173.244 174.600 0.512 0.000 1.110 184 S CA -1.887 56.581 58.200 0.446 0.000 1.034 184 S CB 1.558 65.143 63.200 0.641 0.000 1.010 184 S HN -0.346 8.145 8.310 0.302 0.000 0.482 185 S N 7.839 123.761 115.700 0.370 0.000 2.503 185 S HA 0.502 nan 4.470 nan 0.000 0.301 185 S C -0.034 174.499 174.600 -0.112 0.000 1.087 185 S CA -2.423 55.897 58.200 0.201 0.000 1.042 185 S CB 1.439 64.714 63.200 0.125 0.000 1.043 185 S HN 0.176 8.686 8.310 0.332 0.000 0.489 186 F N 9.278 128.909 119.950 -0.531 0.000 2.046 186 F HA -0.357 nan 4.527 nan 0.000 0.297 186 F C 0.566 176.103 175.800 -0.439 0.000 1.123 186 F CA 4.095 61.533 58.000 -0.936 0.000 1.199 186 F CB 0.475 39.038 39.000 -0.729 0.000 0.972 186 F HN 0.681 8.962 8.300 -0.032 0.000 0.474 187 F N -1.174 118.594 119.950 -0.304 0.000 2.091 187 F HA -0.511 nan 4.527 nan 0.000 0.299 187 F C 1.174 176.784 175.800 -0.317 0.000 1.103 187 F CA 4.597 62.420 58.000 -0.294 0.000 1.228 187 F CB -0.423 38.483 39.000 -0.156 0.000 0.984 187 F HN -0.465 8.187 8.300 0.210 -0.226 0.477 188 T N 1.766 116.257 114.554 -0.106 0.000 2.652 188 T HA -0.415 nan 4.350 nan 0.000 0.267 188 T C 2.222 176.794 174.700 -0.213 0.000 1.039 188 T CA 4.863 66.894 62.100 -0.115 0.000 1.153 188 T CB -0.579 68.349 68.868 0.100 0.000 0.863 188 T HN -0.159 8.142 8.240 0.102 0.000 0.428 189 I N 0.813 121.245 120.570 -0.229 0.000 2.226 189 I HA -0.402 nan 4.170 nan 0.000 0.245 189 I C 1.577 177.489 176.117 -0.343 0.000 1.100 189 I CA 1.806 62.997 61.300 -0.182 0.000 1.374 189 I CB -1.720 36.183 38.000 -0.161 0.000 1.057 189 I HN -0.096 7.961 8.210 -0.255 0.000 0.413 190 A N -0.204 122.233 122.820 -0.639 0.000 1.877 190 A HA -0.254 nan 4.320 nan 0.000 0.216 190 A C 2.308 179.621 177.584 -0.452 0.000 1.186 190 A CA 3.589 55.263 52.037 -0.605 0.000 0.620 190 A CB -0.556 17.884 19.000 -0.933 0.000 0.822 190 A HN 0.319 7.967 8.150 -0.837 0.000 0.443 191 V N -5.207 114.365 119.914 -0.569 0.000 2.667 191 V HA -0.371 nan 4.120 nan 0.000 0.252 191 V C 2.047 177.939 176.094 -0.337 0.000 1.065 191 V CA 2.915 64.908 62.300 -0.512 0.000 1.083 191 V CB -1.424 29.993 31.823 -0.677 0.000 0.692 191 V HN 0.066 7.827 8.190 -0.716 0.000 0.468 192 Q N 0.346 120.007 119.800 -0.232 0.000 2.083 192 Q HA -0.353 nan 4.340 nan 0.000 0.198 192 Q C 1.931 177.861 176.000 -0.117 0.000 0.969 192 Q CA 3.442 59.186 55.803 -0.097 0.000 0.838 192 Q CB -0.237 28.513 28.738 0.020 0.000 0.900 192 Q HN -0.117 7.977 8.270 -0.260 0.020 0.436 193 H N 0.518 119.447 119.070 -0.235 0.000 2.321 193 H HA -0.339 nan 4.556 nan 0.000 0.300 193 H C 1.738 176.904 175.328 -0.270 0.000 1.087 193 H CA 3.729 59.648 56.048 -0.216 0.000 1.319 193 H CB 0.526 30.179 29.762 -0.182 0.000 1.379 193 H HN -0.301 7.928 8.280 -0.085 0.000 0.501 194 R N -0.992 119.153 120.500 -0.592 0.000 2.083 194 R HA -0.427 nan 4.340 nan 0.000 0.237 194 R C 1.829 177.789 176.300 -0.567 0.000 1.137 194 R CA 3.370 58.862 56.100 -1.013 0.000 0.951 194 R CB -0.183 29.388 30.300 -1.215 0.000 0.851 194 R HN -0.387 7.633 8.270 -0.417 0.000 0.434 195 A N -0.816 121.793 122.820 -0.351 0.000 1.883 195 A HA -0.268 nan 4.320 nan 0.000 0.217 195 A C 2.523 180.057 177.584 -0.084 0.000 1.186 195 A CA 2.993 54.931 52.037 -0.166 0.000 0.624 195 A CB -0.871 18.078 19.000 -0.084 0.000 0.822 195 A HN -0.277 7.665 8.150 -0.346 0.000 0.444 196 L N -2.877 118.288 121.223 -0.097 0.000 2.083 196 L HA -0.430 nan 4.340 nan 0.000 0.209 196 L C 2.356 179.188 176.870 -0.062 0.000 1.083 196 L CA 2.977 57.789 54.840 -0.045 0.000 0.752 196 L CB -0.466 41.570 42.059 -0.039 0.000 0.899 196 L HN -0.367 7.780 8.230 -0.139 0.000 0.433 197 V N -0.630 119.210 119.914 -0.123 0.000 2.261 197 V HA -0.511 nan 4.120 nan 0.000 0.246 197 V C 2.101 178.233 176.094 0.063 0.000 1.047 197 V CA 4.571 66.857 62.300 -0.024 0.000 1.015 197 V CB -0.742 31.110 31.823 0.048 0.000 0.642 197 V HN -0.240 7.804 8.190 -0.245 0.000 0.446 198 E N -1.508 118.743 120.200 0.084 0.000 2.274 198 E HA -0.268 nan 4.350 nan 0.000 0.194 198 E C 2.549 179.226 176.600 0.128 0.000 0.996 198 E CA 2.513 58.988 56.400 0.126 0.000 0.840 198 E CB -0.779 29.004 29.700 0.139 0.000 0.772 198 E HN 0.025 8.393 8.360 0.013 0.000 0.491 199 G N 0.199 109.063 108.800 0.106 0.000 2.394 199 G HA2 -0.281 nan 3.960 nan 0.000 0.215 199 G HA3 -0.281 nan 3.960 nan 0.000 0.215 199 G C 1.278 176.262 174.900 0.140 0.000 1.165 199 G CA 1.820 47.034 45.100 0.190 0.000 0.784 199 G HN 0.290 8.498 8.290 0.053 0.114 0.535 200 S N 2.049 117.765 115.700 0.026 0.000 2.368 200 S HA -0.307 nan 4.470 nan 0.000 0.224 200 S C 1.722 176.286 174.600 -0.059 0.000 1.029 200 S CA 3.442 61.605 58.200 -0.062 0.000 0.988 200 S CB -0.331 62.822 63.200 -0.079 0.000 0.838 200 S HN -0.217 8.103 8.310 0.018 0.000 0.462 201 A N 1.457 124.283 122.820 0.009 0.000 1.902 201 A HA -0.240 nan 4.320 nan 0.000 0.217 201 A C 1.799 179.395 177.584 0.019 0.000 1.181 201 A CA 2.931 54.975 52.037 0.011 0.000 0.623 201 A CB -0.932 18.102 19.000 0.057 0.000 0.818 201 A HN -0.577 7.597 8.150 0.040 0.000 0.443 202 F N -0.094 119.812 119.950 -0.074 0.000 2.146 202 F HA -0.423 nan 4.527 nan 0.000 0.298 202 F C 1.043 176.663 175.800 -0.299 0.000 1.096 202 F CA 2.053 59.997 58.000 -0.094 0.000 1.275 202 F CB 0.051 39.069 39.000 0.030 0.000 1.008 202 F HN -0.158 8.288 8.300 0.243 0.000 0.480 203 A N -1.204 121.315 122.820 -0.501 0.000 1.883 203 A HA -0.444 nan 4.320 nan 0.000 0.217 203 A C 1.981 179.116 177.584 -0.749 0.000 1.186 203 A CA 3.467 54.855 52.037 -1.081 0.000 0.624 203 A CB -0.997 17.511 19.000 -0.821 0.000 0.822 203 A HN 0.253 8.306 8.150 -0.162 0.000 0.444 204 T N 0.530 114.824 114.554 -0.433 0.000 2.746 204 T HA -0.341 nan 4.350 nan 0.000 0.267 204 T C 2.480 176.989 174.700 -0.319 0.000 1.039 204 T CA 4.801 66.713 62.100 -0.313 0.000 1.142 204 T CB -0.555 68.197 68.868 -0.194 0.000 0.866 204 T HN -0.245 7.797 8.240 -0.331 0.000 0.444 205 A N 1.461 124.080 122.820 -0.334 0.000 1.972 205 A HA -0.004 nan 4.320 nan 0.000 0.219 205 A C 1.542 178.903 177.584 -0.373 0.000 1.169 205 A CA 2.655 54.518 52.037 -0.290 0.000 0.635 205 A CB -0.311 18.566 19.000 -0.204 0.000 0.810 205 A HN -0.247 7.630 8.150 -0.321 0.080 0.446 206 V N -8.406 111.153 119.914 -0.592 0.000 3.577 206 V HA 0.188 nan 4.120 nan 0.000 0.294 206 V C 0.523 176.372 176.094 -0.407 0.000 1.317 206 V CA -0.835 61.145 62.300 -0.533 0.000 1.169 206 V CB -1.473 29.906 31.823 -0.740 0.000 1.011 206 V HN -0.465 7.244 8.190 -0.773 0.017 0.426 207 G N -0.230 108.353 108.800 -0.360 0.000 2.137 207 G HA2 -0.408 nan 3.960 nan 0.000 0.237 207 G HA3 -0.408 nan 3.960 nan 0.000 0.237 207 G C -1.105 173.643 174.900 -0.255 0.000 1.002 207 G CA 0.357 45.306 45.100 -0.251 0.000 0.702 207 G HN -0.178 7.692 8.290 -0.373 0.197 0.515 208 S N -0.657 114.804 115.700 -0.398 0.000 2.841 208 S HA 0.393 nan 4.470 nan 0.000 0.274 208 S C -2.043 172.380 174.600 -0.296 0.000 1.044 208 S CA -1.368 56.645 58.200 -0.311 0.000 0.952 208 S CB 1.115 64.073 63.200 -0.403 0.000 1.331 208 S HN 0.237 8.221 8.310 -0.543 0.000 0.610 209 S N -1.877 113.694 115.700 -0.214 0.000 2.588 209 S HA 0.241 nan 4.470 nan 0.000 0.269 209 S C -1.668 172.786 174.600 -0.243 0.000 1.157 209 S CA -0.257 57.818 58.200 -0.209 0.000 0.824 209 S CB 2.463 65.592 63.200 -0.118 0.000 1.126 209 S HN -0.048 8.218 8.310 -0.073 0.000 0.464 210 C N 3.883 122.948 119.300 -0.391 0.000 3.418 210 C HA 0.340 nan 4.460 nan 0.000 0.238 210 C C 1.272 175.853 174.990 -0.681 0.000 1.205 210 C CA -1.479 57.036 59.018 -0.839 0.000 1.376 210 C CB -0.311 27.058 27.740 -0.619 0.000 1.826 210 C HN 0.684 8.730 8.230 -0.307 0.000 0.513 211 S N 5.379 120.810 115.700 -0.449 0.000 2.383 211 S HA -0.260 nan 4.470 nan 0.000 0.229 211 S C 1.002 175.588 174.600 -0.023 0.000 1.030 211 S CA 3.629 61.761 58.200 -0.114 0.000 1.002 211 S CB 0.139 63.383 63.200 0.073 0.000 0.829 211 S HN 0.637 8.698 8.310 -0.415 0.000 0.467 212 W N -1.602 119.731 121.300 0.054 0.000 2.402 212 W HA 0.033 nan 4.660 nan 0.000 0.286 212 W C 1.050 177.609 176.519 0.067 0.000 1.221 212 W CA 1.304 58.682 57.345 0.055 0.000 1.257 212 W CB -1.485 27.997 29.460 0.036 0.000 1.120 212 W HN -0.392 7.801 8.180 0.031 0.006 0.551 213 C N 1.451 120.583 119.300 -0.280 0.000 2.453 213 C HA -0.429 nan 4.460 nan 0.000 0.277 213 C C 2.186 177.144 174.990 -0.053 0.000 1.262 213 C CA 4.200 63.139 59.018 -0.131 0.000 1.718 213 C CB -1.471 26.141 27.740 -0.213 0.000 2.031 213 C HN -0.544 7.111 8.230 -0.768 0.115 0.480 214 D N 0.201 120.554 120.400 -0.079 0.000 2.117 214 D HA -0.214 nan 4.640 nan 0.000 0.197 214 D C 1.493 177.807 176.300 0.023 0.000 0.987 214 D CA 3.020 57.003 54.000 -0.028 0.000 0.829 214 D CB -0.524 40.250 40.800 -0.043 0.000 0.961 214 D HN -0.294 7.983 8.370 -0.156 0.000 0.460 215 S N -2.289 113.445 115.700 0.057 0.000 2.395 215 S HA -0.154 nan 4.470 nan 0.000 0.225 215 S C 2.051 176.714 174.600 0.104 0.000 1.027 215 S CA 2.157 60.410 58.200 0.088 0.000 0.965 215 S CB 1.013 64.282 63.200 0.116 0.000 0.812 215 S HN -0.268 8.079 8.310 0.061 0.000 0.482 216 Q N 0.752 120.620 119.800 0.115 0.000 2.212 216 Q HA -0.067 nan 4.340 nan 0.000 0.199 216 Q C 2.168 178.126 176.000 -0.070 0.000 0.950 216 Q CA 1.254 57.107 55.803 0.082 0.000 0.863 216 Q CB -0.298 28.547 28.738 0.179 0.000 0.944 216 Q HN -0.619 7.727 8.270 0.125 0.000 0.465 217 A N 0.426 123.238 122.820 -0.014 0.000 1.873 217 A HA -0.196 nan 4.320 nan 0.000 0.218 217 A C -0.917 176.731 177.584 0.106 0.000 1.193 217 A CA 5.112 57.173 52.037 0.040 0.000 0.629 217 A CB -2.486 16.530 19.000 0.026 0.000 0.826 217 A HN 0.063 8.221 8.150 0.013 0.000 0.447 218 P HA -0.192 nan 4.420 nan 0.000 0.218 218 P C 1.833 179.139 177.300 0.010 0.000 1.149 218 P CA 2.857 65.995 63.100 0.063 0.000 0.817 218 P CB -0.461 31.277 31.700 0.063 0.000 0.785 219 Q N -2.593 117.193 119.800 -0.024 0.000 2.172 219 Q HA -0.186 nan 4.340 nan 0.000 0.200 219 Q C 2.720 178.567 176.000 -0.254 0.000 0.964 219 Q CA 2.643 58.429 55.803 -0.027 0.000 0.855 219 Q CB -0.738 28.075 28.738 0.125 0.000 0.918 219 Q HN -0.610 7.549 8.270 -0.015 0.101 0.444 220 I N 0.756 121.000 120.570 -0.543 0.000 2.252 220 I HA -0.449 nan 4.170 nan 0.000 0.245 220 I C 1.847 177.845 176.117 -0.199 0.000 1.102 220 I CA 4.001 64.919 61.300 -0.638 0.000 1.385 220 I CB -0.083 37.563 38.000 -0.590 0.000 1.064 220 I HN 0.066 7.924 8.210 -0.447 0.084 0.414 221 L N -0.154 120.943 121.223 -0.210 0.000 2.083 221 L HA -0.363 nan 4.340 nan 0.000 0.209 221 L C 1.647 178.503 176.870 -0.022 0.000 1.083 221 L CA 3.246 57.929 54.840 -0.261 0.000 0.752 221 L CB -0.671 41.166 42.059 -0.369 0.000 0.899 221 L HN -0.060 8.076 8.230 -0.157 0.000 0.433 222 c N -1.537 117.086 118.600 0.038 0.000 2.413 222 c HA -0.328 nan 4.570 nan 0.000 0.276 222 c C 2.224 176.456 174.090 0.237 0.000 1.236 222 c CA 4.050 60.454 56.329 0.125 0.000 1.735 222 c CB -2.199 40.387 42.510 0.128 0.000 2.031 222 c HN -0.243 7.902 8.230 -0.000 0.085 0.474 223 Y N 1.460 121.839 120.300 0.131 0.000 2.242 223 Y HA -0.304 nan 4.550 nan 0.000 0.291 223 Y C 1.697 177.824 175.900 0.379 0.000 1.137 223 Y CA 1.539 59.785 58.100 0.243 0.000 1.181 223 Y CB -0.347 38.313 38.460 0.334 0.000 0.989 223 Y HN -0.450 8.002 8.280 0.288 0.000 0.527 224 L N -1.418 119.924 121.223 0.199 0.000 2.127 224 L HA -0.369 nan 4.340 nan 0.000 0.211 224 L C 1.984 179.162 176.870 0.514 0.000 1.089 224 L CA 3.118 58.116 54.840 0.263 0.000 0.757 224 L CB -0.376 41.751 42.059 0.113 0.000 0.899 224 L HN 0.275 8.528 8.230 0.179 0.084 0.434 225 Q N -2.386 117.659 119.800 0.408 0.000 2.226 225 Q HA -0.310 nan 4.340 nan 0.000 0.204 225 Q C 2.783 179.044 176.000 0.435 0.000 0.975 225 Q CA 2.247 58.311 55.803 0.436 0.000 0.866 225 Q CB -1.137 27.756 28.738 0.258 0.000 0.915 225 Q HN -0.381 8.043 8.270 0.296 0.024 0.440 226 S N 0.643 116.534 115.700 0.319 0.000 2.469 226 S HA -0.206 nan 4.470 nan 0.000 0.238 226 S C 0.845 175.587 174.600 0.236 0.000 0.998 226 S CA 2.821 61.161 58.200 0.233 0.000 0.957 226 S CB -0.428 62.840 63.200 0.113 0.000 0.764 226 S HN -0.346 7.996 8.310 0.279 0.136 0.514 227 F N -0.762 119.344 119.950 0.260 0.000 2.661 227 F HA -0.083 nan 4.527 nan 0.000 0.298 227 F C -0.609 175.222 175.800 0.051 0.000 1.137 227 F CA 1.152 59.184 58.000 0.055 0.000 1.454 227 F CB 0.594 39.601 39.000 0.010 0.000 1.103 227 F HN -0.618 8.011 8.300 0.626 0.047 0.577 228 W N 1.038 122.468 121.300 0.216 0.000 2.356 228 W HA -0.142 nan 4.660 nan 0.000 0.311 228 W C 0.081 176.600 176.519 -0.000 0.000 1.328 228 W CA 0.377 57.806 57.345 0.141 0.000 1.251 228 W CB 0.763 30.391 29.460 0.279 0.000 1.280 228 W HN -0.490 8.029 8.180 0.633 0.041 0.524 229 T N 3.271 117.336 114.554 -0.815 0.000 3.081 229 T HA 0.122 nan 4.350 nan 0.000 0.255 229 T C 0.963 175.150 174.700 -0.855 0.000 1.113 229 T CA 0.295 61.938 62.100 -0.762 0.000 1.082 229 T CB 0.521 68.856 68.868 -0.888 0.000 0.939 229 T HN 0.526 8.196 8.240 -0.949 0.000 0.506 230 G N 1.707 109.562 108.800 -1.574 0.000 2.278 230 G HA2 -0.215 nan 3.960 nan 0.000 0.210 230 G HA3 -0.215 nan 3.960 nan 0.000 0.210 230 G C -0.358 174.140 174.900 -0.670 0.000 1.000 230 G CA 0.073 44.689 45.100 -0.807 0.000 0.635 230 G HN 0.107 6.614 8.290 -2.896 0.046 0.495 231 S N 0.514 115.654 115.700 -0.933 0.000 2.691 231 S HA 0.237 nan 4.470 nan 0.000 0.258 231 S C -1.042 173.411 174.600 -0.244 0.000 1.078 231 S CA 0.192 58.176 58.200 -0.359 0.000 1.000 231 S CB 2.582 65.747 63.200 -0.059 0.000 0.942 231 S HN -0.374 7.162 8.310 -1.165 0.075 0.521 232 Y N -4.969 114.942 120.300 -0.649 0.000 2.764 232 Y HA 0.397 nan 4.550 nan 0.000 0.331 232 Y C -2.845 172.939 175.900 -0.194 0.000 1.280 232 Y CA -1.721 56.255 58.100 -0.208 0.000 1.065 232 Y CB 1.125 39.532 38.460 -0.089 0.000 1.319 232 Y HN -0.519 7.002 8.280 -1.264 0.000 0.453 233 I N -0.310 120.347 120.570 0.145 0.000 2.325 233 I HA 0.215 nan 4.170 nan 0.000 0.291 233 I C -0.911 175.157 176.117 -0.083 0.000 1.019 233 I CA -0.756 60.500 61.300 -0.074 0.000 1.302 233 I CB 0.540 38.284 38.000 -0.427 0.000 1.401 233 I HN 0.007 8.750 8.210 0.303 -0.351 0.485 234 L N 8.809 129.933 121.223 -0.165 0.000 2.462 234 L HA -0.214 nan 4.340 nan 0.000 0.272 234 L C -1.235 175.629 176.870 -0.010 0.000 1.166 234 L CA 0.232 55.007 54.840 -0.108 0.000 0.880 234 L CB 0.688 42.551 42.059 -0.326 0.000 1.142 234 L HN 0.581 8.595 8.230 -0.189 0.102 0.473 235 A N 6.327 129.158 122.820 0.018 0.000 1.898 235 A HA -0.162 nan 4.320 nan 0.000 0.216 235 A C -0.920 176.719 177.584 0.091 0.000 1.181 235 A CA 2.396 54.459 52.037 0.043 0.000 0.620 235 A CB 0.561 19.589 19.000 0.047 0.000 0.819 235 A HN 0.519 8.588 8.150 0.049 0.111 0.442 236 N N -6.284 112.436 118.700 0.033 0.000 2.331 236 N HA 0.494 nan 4.740 nan 0.000 0.280 236 N C -1.387 174.082 175.510 -0.069 0.000 1.155 236 N CA -0.547 52.549 53.050 0.077 0.000 0.822 236 N CB 3.007 41.530 38.487 0.059 0.000 1.619 236 N HN -0.619 7.744 8.380 -0.029 0.000 0.476 237 F N 1.533 121.582 119.950 0.165 0.000 2.378 237 F HA 0.047 nan 4.527 nan 0.000 0.325 237 F C 0.543 176.372 175.800 0.047 0.000 1.097 237 F CA 0.302 58.335 58.000 0.055 0.000 1.079 237 F CB 1.211 40.225 39.000 0.023 0.000 1.240 237 F HN 0.525 9.032 8.300 0.345 0.000 0.519 238 D N -3.188 117.354 120.400 0.235 0.000 3.068 238 D HA -0.342 nan 4.640 nan 0.000 0.218 238 D C -1.307 175.029 176.300 0.061 0.000 1.145 238 D CA 1.708 55.776 54.000 0.114 0.000 0.896 238 D CB -1.655 39.196 40.800 0.085 0.000 1.105 238 D HN 0.322 8.867 8.370 0.293 0.000 0.423 239 S N -1.787 113.945 115.700 0.053 0.000 2.566 239 S HA 0.220 nan 4.470 nan 0.000 0.298 239 S C 0.134 174.741 174.600 0.011 0.000 1.083 239 S CA -0.948 57.260 58.200 0.013 0.000 0.978 239 S CB 1.457 64.649 63.200 -0.013 0.000 1.073 239 S HN -0.257 8.068 8.310 0.074 0.030 0.491 240 S N 2.734 118.435 115.700 0.002 0.000 2.556 240 S HA 0.201 nan 4.470 nan 0.000 0.216 240 S C 0.481 175.081 174.600 -0.001 0.000 0.970 240 S CA -0.055 58.148 58.200 0.005 0.000 0.912 240 S CB 0.547 63.751 63.200 0.008 0.000 0.790 240 S HN 0.399 8.706 8.310 -0.005 0.000 0.504 241 R N 2.525 123.016 120.500 -0.015 0.000 2.652 241 R HA 0.070 nan 4.340 nan 0.000 0.272 241 R C 0.776 177.071 176.300 -0.009 0.000 1.162 241 R CA -0.121 55.969 56.100 -0.017 0.000 1.199 241 R CB 0.630 30.900 30.300 -0.050 0.000 1.166 241 R HN -0.705 7.489 8.270 -0.025 0.062 0.597 242 S N -0.659 115.030 115.700 -0.017 0.000 2.382 242 S HA -0.189 nan 4.470 nan 0.000 0.228 242 S C 1.081 175.708 174.600 0.044 0.000 1.027 242 S CA 2.038 60.229 58.200 -0.014 0.000 0.991 242 S CB 0.741 63.882 63.200 -0.099 0.000 0.823 242 S HN 0.423 9.082 8.310 -0.023 -0.362 0.469 243 G N -0.033 108.776 108.800 0.016 0.000 2.195 243 G HA2 -0.385 nan 3.960 nan 0.000 0.224 243 G HA3 -0.385 nan 3.960 nan 0.000 0.224 243 G C -0.882 174.066 174.900 0.079 0.000 0.990 243 G CA -0.352 44.794 45.100 0.076 0.000 0.639 243 G HN 0.269 8.540 8.290 -0.020 0.007 0.514 244 K N 3.364 123.706 120.400 -0.095 0.000 2.349 244 K HA 0.023 nan 4.320 nan 0.000 0.288 244 K C -2.155 174.440 176.600 -0.007 0.000 1.058 244 K CA 0.762 56.937 56.287 -0.186 0.000 0.953 244 K CB 0.299 32.555 32.500 -0.407 0.000 0.997 244 K HN -0.630 7.473 8.250 -0.142 0.062 0.477 245 D N 1.981 122.433 120.400 0.086 0.000 2.836 245 D HA 0.186 nan 4.640 nan 0.000 0.215 245 D C 0.816 177.260 176.300 0.240 0.000 1.255 245 D CA -0.327 53.817 54.000 0.241 0.000 0.822 245 D CB 3.676 44.617 40.800 0.234 0.000 1.656 245 D HN -0.016 8.389 8.370 0.058 0.000 0.511 246 T N 5.615 120.359 114.554 0.315 0.000 3.077 246 T HA -0.259 nan 4.350 nan 0.000 0.269 246 T C 1.436 176.275 174.700 0.232 0.000 1.146 246 T CA 3.439 65.679 62.100 0.233 0.000 1.091 246 T CB -0.762 68.206 68.868 0.167 0.000 0.892 246 T HN 0.724 9.193 8.240 0.381 0.000 0.533 247 N N 1.054 119.899 118.700 0.241 0.000 2.137 247 N HA -0.327 nan 4.740 nan 0.000 0.190 247 N C 1.585 177.213 175.510 0.197 0.000 1.017 247 N CA 3.375 56.438 53.050 0.022 0.000 0.859 247 N CB -0.108 38.372 38.487 -0.011 0.000 1.002 247 N HN 0.039 8.880 8.380 0.366 -0.242 0.428 248 T N -2.208 112.446 114.554 0.166 0.000 2.904 248 T HA -0.107 nan 4.350 nan 0.000 0.267 248 T C 2.288 177.098 174.700 0.183 0.000 1.059 248 T CA 3.121 65.289 62.100 0.114 0.000 1.137 248 T CB -0.254 68.484 68.868 -0.215 0.000 0.879 248 T HN -0.074 8.122 8.240 0.124 0.118 0.467 249 L N 1.919 123.233 121.223 0.152 0.000 2.109 249 L HA -0.153 nan 4.340 nan 0.000 0.207 249 L C 1.387 178.374 176.870 0.195 0.000 1.086 249 L CA 2.356 57.280 54.840 0.140 0.000 0.760 249 L CB -0.482 41.615 42.059 0.063 0.000 0.910 249 L HN -0.509 7.570 8.230 0.135 0.231 0.437 250 L N -1.699 119.677 121.223 0.255 0.000 2.083 250 L HA -0.407 nan 4.340 nan 0.000 0.209 250 L C 2.298 179.491 176.870 0.539 0.000 1.083 250 L CA 3.573 58.647 54.840 0.390 0.000 0.752 250 L CB -0.778 41.494 42.059 0.355 0.000 0.899 250 L HN 0.336 8.700 8.230 0.223 0.000 0.433 251 G N -2.461 106.669 108.800 0.551 0.000 2.422 251 G HA2 -0.429 nan 3.960 nan 0.000 0.218 251 G HA3 -0.429 nan 3.960 nan 0.000 0.218 251 G C 1.024 176.081 174.900 0.262 0.000 1.146 251 G CA 2.271 47.578 45.100 0.346 0.000 0.769 251 G HN -0.012 8.596 8.290 0.529 0.000 0.547 252 S N 2.349 118.247 115.700 0.330 0.000 2.345 252 S HA -0.148 nan 4.470 nan 0.000 0.219 252 S C 2.414 177.139 174.600 0.208 0.000 1.031 252 S CA 3.152 61.519 58.200 0.279 0.000 0.984 252 S CB 0.005 63.349 63.200 0.241 0.000 0.874 252 S HN -0.619 7.809 8.310 0.360 0.098 0.451 253 I N -1.873 118.762 120.570 0.109 0.000 2.454 253 I HA -0.289 nan 4.170 nan 0.000 0.254 253 I C 1.923 178.034 176.117 -0.009 0.000 1.156 253 I CA 3.120 64.421 61.300 0.002 0.000 1.433 253 I CB -0.151 37.768 38.000 -0.134 0.000 1.082 253 I HN -0.014 8.264 8.210 0.113 0.000 0.432 254 H N -1.115 118.088 119.070 0.222 0.000 2.539 254 H HA 0.150 nan 4.556 nan 0.000 0.267 254 H C 0.633 175.994 175.328 0.055 0.000 0.982 254 H CA 2.086 58.224 56.048 0.150 0.000 1.146 254 H CB -0.280 29.570 29.762 0.146 0.000 1.382 254 H HN -0.004 8.331 8.280 0.124 0.020 0.577 255 T N -4.292 110.377 114.554 0.192 0.000 3.145 255 T HA 0.173 nan 4.350 nan 0.000 0.281 255 T C -0.465 174.556 174.700 0.534 0.000 1.003 255 T CA -1.765 60.428 62.100 0.154 0.000 0.901 255 T CB -0.009 68.879 68.868 0.033 0.000 1.112 255 T HN -0.529 7.687 8.240 0.231 0.163 0.535 256 F N 4.655 124.776 119.950 0.286 0.000 2.578 256 F HA -0.129 nan 4.527 nan 0.000 0.376 256 F C -2.169 173.813 175.800 0.303 0.000 1.085 256 F CA -0.056 58.091 58.000 0.246 0.000 1.260 256 F CB 0.807 39.874 39.000 0.112 0.000 1.095 256 F HN -0.848 7.552 8.300 0.452 0.171 0.573 257 D N 7.773 127.942 120.400 -0.385 0.000 2.481 257 D HA 0.364 nan 4.640 nan 0.000 0.246 257 D C -0.312 175.477 176.300 -0.851 0.000 1.109 257 D CA -3.654 49.975 54.000 -0.618 0.000 0.845 257 D CB 2.405 42.817 40.800 -0.647 0.000 1.160 257 D HN 0.014 8.687 8.370 -0.037 -0.325 0.534 258 P HA -0.187 nan 4.420 nan 0.000 0.223 258 P C 0.578 177.871 177.300 -0.012 0.000 1.144 258 P CA 1.601 64.471 63.100 -0.384 0.000 0.783 258 P CB 0.406 31.945 31.700 -0.269 0.000 0.771 259 E N -2.541 117.580 120.200 -0.131 0.000 2.474 259 E HA -0.024 nan 4.350 nan 0.000 0.194 259 E C -0.359 176.199 176.600 -0.069 0.000 1.041 259 E CA -0.436 55.923 56.400 -0.069 0.000 0.874 259 E CB 0.116 29.746 29.700 -0.115 0.000 0.914 259 E HN -0.097 8.390 8.360 -0.255 -0.279 0.498 260 A N -0.400 122.365 122.820 -0.091 0.000 2.351 260 A HA 0.124 nan 4.320 nan 0.000 0.257 260 A C -0.022 177.588 177.584 0.043 0.000 1.087 260 A CA -0.185 51.820 52.037 -0.053 0.000 0.798 260 A CB 0.883 19.842 19.000 -0.069 0.000 1.033 260 A HN -0.481 7.410 8.150 -0.140 0.175 0.488 261 G N -1.342 107.479 108.800 0.034 0.000 2.510 261 G HA2 0.173 nan 3.960 nan 0.000 0.280 261 G HA3 0.173 nan 3.960 nan 0.000 0.280 261 G C -0.024 174.927 174.900 0.085 0.000 1.386 261 G CA -1.582 43.560 45.100 0.070 0.000 1.047 261 G HN 0.108 8.399 8.290 0.002 0.000 0.527 262 c N 1.173 119.832 118.600 0.099 0.000 3.247 262 c HA 0.074 nan 4.570 nan 0.000 0.573 262 c C -0.771 173.340 174.090 0.035 0.000 1.106 262 c CA -1.484 54.901 56.329 0.093 0.000 1.209 262 c CB -2.577 40.031 42.510 0.162 0.000 1.460 262 c HN 0.338 8.635 8.230 0.112 0.000 0.634 263 D N 4.732 125.142 120.400 0.015 0.000 2.339 263 D HA -0.008 nan 4.640 nan 0.000 0.256 263 D C 0.231 176.459 176.300 -0.120 0.000 1.214 263 D CA 0.299 54.276 54.000 -0.039 0.000 0.877 263 D CB 0.323 41.111 40.800 -0.020 0.000 1.111 263 D HN -0.262 8.068 8.370 0.041 0.064 0.478 264 D N 5.152 125.423 120.400 -0.214 0.000 2.144 264 D HA -0.237 nan 4.640 nan 0.000 0.200 264 D C 1.862 177.764 176.300 -0.664 0.000 0.978 264 D CA 3.776 57.511 54.000 -0.441 0.000 0.833 264 D CB 0.249 40.797 40.800 -0.419 0.000 0.961 264 D HN 0.415 8.686 8.370 -0.164 0.000 0.470 265 S N -2.904 112.571 115.700 -0.375 0.000 2.399 265 S HA -0.168 nan 4.470 nan 0.000 0.231 265 S C 0.622 175.109 174.600 -0.188 0.000 1.022 265 S CA 2.616 60.637 58.200 -0.298 0.000 0.983 265 S CB 0.076 63.205 63.200 -0.118 0.000 0.803 265 S HN -0.036 8.130 8.310 -0.241 0.000 0.480 266 T N -5.072 109.443 114.554 -0.065 0.000 3.092 266 T HA 0.192 nan 4.350 nan 0.000 0.258 266 T C -0.133 174.805 174.700 0.397 0.000 1.031 266 T CA -1.322 60.913 62.100 0.225 0.000 0.925 266 T CB -0.395 68.647 68.868 0.290 0.000 1.036 266 T HN -0.259 7.913 8.240 -0.093 0.013 0.544 267 F N -0.394 119.638 119.950 0.136 0.000 3.027 267 F HA -0.462 nan 4.527 nan 0.000 0.276 267 F C -0.421 175.474 175.800 0.158 0.000 0.967 267 F CA 0.651 58.739 58.000 0.148 0.000 0.929 267 F CB -2.708 36.469 39.000 0.295 0.000 0.873 267 F HN -0.587 7.245 8.300 -0.437 0.206 0.787 268 Q N -1.130 118.804 119.800 0.224 0.000 2.474 268 Q HA -0.039 nan 4.340 nan 0.000 0.256 268 Q C -0.623 175.459 176.000 0.137 0.000 1.048 268 Q CA -0.298 55.640 55.803 0.225 0.000 0.922 268 Q CB -0.689 28.161 28.738 0.186 0.000 1.288 268 Q HN -0.603 7.746 8.270 0.131 0.000 0.484 269 P HA -0.208 nan 4.420 nan 0.000 0.217 269 P C -0.346 176.847 177.300 -0.178 0.000 1.151 269 P CA 2.499 65.545 63.100 -0.089 0.000 0.849 269 P CB -0.052 31.490 31.700 -0.263 0.000 0.787 270 c N -8.056 110.446 118.600 -0.162 0.000 2.697 270 c HA 0.342 nan 4.570 nan 0.000 0.267 270 c C 0.395 174.511 174.090 0.043 0.000 1.278 270 c CA -2.486 53.750 56.329 -0.155 0.000 1.708 270 c CB -0.942 41.388 42.510 -0.300 0.000 1.860 270 c HN -0.571 7.798 8.230 -0.095 -0.197 0.589 271 S N 3.760 119.469 115.700 0.014 0.000 2.560 271 S HA 0.071 nan 4.470 nan 0.000 0.284 271 S C -0.998 173.594 174.600 -0.013 0.000 1.327 271 S CA -0.683 57.518 58.200 0.001 0.000 1.055 271 S CB -0.336 62.825 63.200 -0.066 0.000 0.868 271 S HN -0.305 7.831 8.310 0.004 0.176 0.506 272 P HA -0.245 nan 4.420 nan 0.000 0.216 272 P C 1.581 178.841 177.300 -0.065 0.000 1.150 272 P CA 2.953 66.067 63.100 0.023 0.000 0.843 272 P CB 0.043 31.760 31.700 0.028 0.000 0.787 273 R N -2.994 117.349 120.500 -0.262 0.000 2.073 273 R HA -0.312 nan 4.340 nan 0.000 0.234 273 R C 2.237 178.537 176.300 -0.001 0.000 1.134 273 R CA 3.523 59.346 56.100 -0.461 0.000 0.952 273 R CB -0.336 29.430 30.300 -0.890 0.000 0.850 273 R HN 0.073 8.482 8.270 -0.298 -0.317 0.433 274 A N -0.429 122.414 122.820 0.038 0.000 1.969 274 A HA -0.150 nan 4.320 nan 0.000 0.218 274 A C 2.372 179.966 177.584 0.018 0.000 1.169 274 A CA 2.834 54.935 52.037 0.107 0.000 0.635 274 A CB -0.760 18.304 19.000 0.106 0.000 0.810 274 A HN -0.349 7.711 8.150 -0.027 0.073 0.445 275 L N -1.853 119.297 121.223 -0.122 0.000 2.072 275 L HA -0.366 nan 4.340 nan 0.000 0.205 275 L C 2.015 178.821 176.870 -0.107 0.000 1.079 275 L CA 2.864 57.449 54.840 -0.426 0.000 0.752 275 L CB -0.340 41.284 42.059 -0.725 0.000 0.906 275 L HN 0.110 8.284 8.230 -0.093 0.000 0.436 276 A N -1.405 121.477 122.820 0.104 0.000 1.908 276 A HA -0.442 nan 4.320 nan 0.000 0.218 276 A C 1.855 179.631 177.584 0.320 0.000 1.181 276 A CA 3.313 55.519 52.037 0.282 0.000 0.627 276 A CB -0.938 18.307 19.000 0.408 0.000 0.818 276 A HN 0.426 8.624 8.150 0.081 0.000 0.445 277 N N -1.771 117.133 118.700 0.340 0.000 2.120 277 N HA -0.358 nan 4.740 nan 0.000 0.188 277 N C 1.613 177.258 175.510 0.225 0.000 1.024 277 N CA 3.004 56.239 53.050 0.308 0.000 0.852 277 N CB 0.015 38.676 38.487 0.289 0.000 1.003 277 N HN -0.230 8.351 8.380 0.335 0.000 0.424 278 H N 0.782 119.924 119.070 0.120 0.000 2.319 278 H HA -0.359 nan 4.556 nan 0.000 0.297 278 H C 1.978 177.447 175.328 0.236 0.000 1.097 278 H CA 4.249 60.375 56.048 0.130 0.000 1.285 278 H CB 0.344 30.140 29.762 0.057 0.000 1.368 278 H HN -0.224 8.134 8.280 0.263 0.080 0.495 279 K N -1.223 119.461 120.400 0.474 0.000 2.057 279 K HA -0.362 nan 4.320 nan 0.000 0.206 279 K C 2.449 179.163 176.600 0.190 0.000 1.050 279 K CA 3.444 59.968 56.287 0.395 0.000 0.935 279 K CB -0.092 32.642 32.500 0.390 0.000 0.715 279 K HN -0.514 8.031 8.250 0.492 0.000 0.439 280 E N -0.837 119.445 120.200 0.137 0.000 2.058 280 E HA -0.337 nan 4.350 nan 0.000 0.194 280 E C 2.712 179.257 176.600 -0.091 0.000 0.997 280 E CA 3.058 59.457 56.400 -0.002 0.000 0.801 280 E CB -0.106 29.578 29.700 -0.027 0.000 0.746 280 E HN -0.576 7.901 8.360 0.195 0.000 0.450 281 V N 0.526 120.413 119.914 -0.045 0.000 2.270 281 V HA -0.272 nan 4.120 nan 0.000 0.245 281 V C 2.154 178.271 176.094 0.038 0.000 1.043 281 V CA 4.494 66.764 62.300 -0.051 0.000 1.014 281 V CB -0.517 31.317 31.823 0.018 0.000 0.645 281 V HN 0.197 8.398 8.190 0.018 0.000 0.447 282 V N 0.149 120.113 119.914 0.082 0.000 2.332 282 V HA -0.518 nan 4.120 nan 0.000 0.248 282 V C 2.343 178.566 176.094 0.215 0.000 1.055 282 V CA 4.418 66.854 62.300 0.226 0.000 1.038 282 V CB -1.117 30.829 31.823 0.205 0.000 0.651 282 V HN 0.063 8.253 8.190 -0.001 0.000 0.450 283 D N -1.858 118.604 120.400 0.103 0.000 2.221 283 D HA -0.197 nan 4.640 nan 0.000 0.204 283 D C 2.679 178.917 176.300 -0.103 0.000 0.982 283 D CA 3.140 57.160 54.000 0.033 0.000 0.857 283 D CB -0.633 40.176 40.800 0.015 0.000 0.934 283 D HN 0.250 8.682 8.370 0.104 0.000 0.475 284 S N 0.178 115.718 115.700 -0.267 0.000 2.507 284 S HA -0.191 nan 4.470 nan 0.000 0.235 284 S C 0.486 174.657 174.600 -0.716 0.000 0.988 284 S CA 2.791 60.679 58.200 -0.519 0.000 0.944 284 S CB -0.459 62.334 63.200 -0.679 0.000 0.762 284 S HN -0.418 7.621 8.310 -0.231 0.133 0.526 285 F N -0.826 119.000 119.950 -0.206 0.000 2.721 285 F HA 0.306 nan 4.527 nan 0.000 0.301 285 F C 0.221 175.848 175.800 -0.288 0.000 1.096 285 F CA 0.285 58.061 58.000 -0.373 0.000 1.308 285 F CB 0.387 39.215 39.000 -0.287 0.000 1.086 285 F HN -0.508 7.548 8.300 -0.128 0.168 0.587 286 R N -0.478 120.016 120.500 -0.010 0.000 2.096 286 R HA -0.315 nan 4.340 nan 0.000 0.235 286 R C 0.966 177.248 176.300 -0.030 0.000 1.127 286 R CA 3.431 59.539 56.100 0.013 0.000 0.968 286 R CB -0.173 30.142 30.300 0.024 0.000 0.861 286 R HN -0.512 7.575 8.270 -0.029 0.166 0.440 287 S N -3.976 111.672 115.700 -0.086 0.000 2.540 287 S HA 0.041 nan 4.470 nan 0.000 0.218 287 S C 0.530 175.072 174.600 -0.096 0.000 0.977 287 S CA 1.115 59.270 58.200 -0.075 0.000 0.918 287 S CB 0.729 63.885 63.200 -0.073 0.000 0.806 287 S HN -0.113 8.123 8.310 -0.124 0.000 0.496 288 I N -4.268 116.189 120.570 -0.188 0.000 3.783 288 I HA 0.097 nan 4.170 nan 0.000 0.310 288 I C -1.098 174.991 176.117 -0.046 0.000 1.274 288 I CA 0.598 61.783 61.300 -0.193 0.000 1.294 288 I CB 1.148 38.958 38.000 -0.317 0.000 1.051 288 I HN -0.876 7.180 8.210 -0.255 0.000 0.435 289 Y N -0.667 119.632 120.300 -0.003 0.000 2.335 289 Y HA 0.235 nan 4.550 nan 0.000 0.338 289 Y C 1.303 177.186 175.900 -0.028 0.000 0.977 289 Y CA -2.447 55.633 58.100 -0.033 0.000 1.114 289 Y CB 0.337 38.764 38.460 -0.054 0.000 1.182 289 Y HN -0.798 7.446 8.280 -0.060 0.000 0.463 290 T N 8.176 122.807 114.554 0.128 0.000 2.803 290 T HA -0.334 nan 4.350 nan 0.000 0.269 290 T C 2.063 176.796 174.700 0.055 0.000 1.052 290 T CA 4.304 66.440 62.100 0.059 0.000 1.136 290 T CB -0.337 68.545 68.868 0.024 0.000 0.864 290 T HN 0.820 9.133 8.240 0.123 0.000 0.467 291 L N -0.093 121.159 121.223 0.049 0.000 2.261 291 L HA -0.275 nan 4.340 nan 0.000 0.216 291 L C 0.459 177.377 176.870 0.080 0.000 1.114 291 L CA 2.587 57.450 54.840 0.039 0.000 0.777 291 L CB -0.100 41.941 42.059 -0.031 0.000 0.910 291 L HN 0.124 8.361 8.230 0.038 0.016 0.440 292 N N -3.628 115.138 118.700 0.111 0.000 2.336 292 N HA 0.114 nan 4.740 nan 0.000 0.189 292 N C -0.659 174.887 175.510 0.061 0.000 1.113 292 N CA -0.111 52.998 53.050 0.099 0.000 0.858 292 N CB 0.487 39.052 38.487 0.130 0.000 0.970 292 N HN -0.326 7.958 8.380 0.141 0.180 0.471 293 D N 1.160 121.590 120.400 0.050 0.000 2.533 293 D HA -0.215 nan 4.640 nan 0.000 0.236 293 D C 1.513 177.827 176.300 0.023 0.000 1.137 293 D CA 2.103 56.121 54.000 0.030 0.000 0.867 293 D CB -0.082 40.732 40.800 0.024 0.000 1.170 293 D HN -0.522 7.707 8.370 0.056 0.175 0.474 294 G N 2.673 111.483 108.800 0.016 0.000 2.234 294 G HA2 -0.421 nan 3.960 nan 0.000 0.260 294 G HA3 -0.421 nan 3.960 nan 0.000 0.260 294 G C -0.646 174.260 174.900 0.011 0.000 0.987 294 G CA 0.049 45.156 45.100 0.011 0.000 0.625 294 G HN 0.215 8.513 8.290 0.014 0.000 0.532 295 L N 1.467 122.701 121.223 0.018 0.000 2.417 295 L HA 0.114 nan 4.340 nan 0.000 0.268 295 L C -0.268 176.611 176.870 0.015 0.000 1.158 295 L CA -0.096 54.754 54.840 0.017 0.000 0.819 295 L CB 0.639 42.714 42.059 0.026 0.000 1.112 295 L HN -0.652 7.521 8.230 0.024 0.072 0.458 296 S N 2.251 117.956 115.700 0.010 0.000 2.707 296 S HA 0.178 nan 4.470 nan 0.000 0.276 296 S C 0.584 175.188 174.600 0.007 0.000 1.179 296 S CA -1.244 56.957 58.200 0.001 0.000 0.992 296 S CB 2.105 65.297 63.200 -0.012 0.000 1.030 296 S HN 0.654 9.370 8.310 0.008 -0.401 0.554 297 D N -0.130 120.264 120.400 -0.011 0.000 2.350 297 D HA -0.103 nan 4.640 nan 0.000 0.216 297 D C 0.324 176.573 176.300 -0.085 0.000 0.968 297 D CA 2.604 56.592 54.000 -0.020 0.000 0.894 297 D CB -0.303 40.476 40.800 -0.035 0.000 0.909 297 D HN 0.545 8.903 8.370 -0.019 0.000 0.520 298 S N -3.556 112.082 115.700 -0.103 0.000 2.577 298 S HA 0.029 nan 4.470 nan 0.000 0.219 298 S C 0.005 174.551 174.600 -0.090 0.000 0.962 298 S CA -0.081 57.993 58.200 -0.211 0.000 0.921 298 S CB 0.681 63.786 63.200 -0.158 0.000 0.789 298 S HN -0.743 7.482 8.310 -0.063 0.047 0.497 299 E N 1.779 122.010 120.200 0.052 0.000 2.207 299 E HA 0.195 nan 4.350 nan 0.000 0.270 299 E C -1.430 175.281 176.600 0.186 0.000 0.927 299 E CA -1.331 55.144 56.400 0.124 0.000 0.799 299 E CB 3.072 32.793 29.700 0.035 0.000 1.172 299 E HN -0.555 7.651 8.360 0.038 0.177 0.404 300 A N 2.216 124.986 122.820 -0.083 0.000 2.425 300 A HA 0.007 nan 4.320 nan 0.000 0.242 300 A C -0.626 176.722 177.584 -0.392 0.000 1.077 300 A CA 0.521 52.091 52.037 -0.778 0.000 0.781 300 A CB 0.429 18.570 19.000 -1.431 0.000 1.020 300 A HN 0.146 8.259 8.150 -0.061 0.000 0.494 301 V N -4.946 114.791 119.914 -0.295 0.000 3.141 301 V HA 0.573 nan 4.120 nan 0.000 0.312 301 V C -1.644 174.544 176.094 0.157 0.000 1.157 301 V CA -2.581 59.734 62.300 0.024 0.000 1.041 301 V CB 3.760 35.666 31.823 0.137 0.000 1.071 301 V HN -0.048 7.874 8.190 -0.447 0.000 0.441 302 A N 0.444 123.373 122.820 0.182 0.000 2.409 302 A HA 0.205 nan 4.320 nan 0.000 0.262 302 A C -0.522 177.113 177.584 0.085 0.000 1.113 302 A CA 0.037 52.178 52.037 0.173 0.000 0.790 302 A CB 0.545 19.593 19.000 0.080 0.000 1.046 302 A HN 0.089 8.703 8.150 0.173 -0.361 0.496 303 V N 3.893 123.761 119.914 -0.077 0.000 2.459 303 V HA 0.228 nan 4.120 nan 0.000 0.295 303 V C -0.461 175.200 176.094 -0.721 0.000 1.029 303 V CA -0.774 61.230 62.300 -0.494 0.000 0.874 303 V CB 2.391 34.026 31.823 -0.314 0.000 0.985 303 V HN 0.070 8.275 8.190 0.025 0.000 0.438 304 G N 3.754 111.726 108.800 -1.379 0.000 2.782 304 G HA2 0.558 nan 3.960 nan 0.000 0.201 304 G HA3 0.558 nan 3.960 nan 0.000 0.201 304 G C -0.524 173.925 174.900 -0.752 0.000 1.374 304 G CA -0.804 43.812 45.100 -0.806 0.000 1.039 304 G HN 0.016 6.529 8.290 -2.961 0.000 0.576 305 R N -0.863 119.236 120.500 -0.668 0.000 2.048 305 R HA 0.028 nan 4.340 nan 0.000 0.221 305 R C -0.913 175.463 176.300 0.126 0.000 1.174 305 R CA 3.252 58.993 56.100 -0.598 0.000 0.971 305 R CB 1.940 31.380 30.300 -1.433 0.000 0.863 305 R HN 0.524 8.391 8.270 -0.672 0.000 0.439 306 Y N -10.007 110.347 120.300 0.090 0.000 2.552 306 Y HA 0.476 nan 4.550 nan 0.000 0.337 306 Y C -2.532 173.383 175.900 0.025 0.000 1.094 306 Y CA -4.062 54.096 58.100 0.096 0.000 1.028 306 Y CB 0.572 39.044 38.460 0.020 0.000 1.321 306 Y HN -0.669 7.252 8.280 -0.597 0.000 0.456 307 P HA -0.214 nan 4.420 nan 0.000 0.221 307 P C -0.373 176.864 177.300 -0.105 0.000 1.145 307 P CA 2.137 65.070 63.100 -0.279 0.000 0.795 307 P CB 0.157 31.593 31.700 -0.440 0.000 0.775 308 E N -4.086 116.157 120.200 0.072 0.000 2.489 308 E HA 0.020 nan 4.350 nan 0.000 0.193 308 E C -0.144 176.508 176.600 0.086 0.000 1.057 308 E CA -0.048 56.427 56.400 0.126 0.000 0.866 308 E CB -0.657 29.176 29.700 0.222 0.000 0.916 308 E HN 0.029 8.504 8.360 0.244 0.031 0.500 309 D N 1.181 121.399 120.400 -0.303 0.000 2.525 309 D HA -0.120 nan 4.640 nan 0.000 0.235 309 D C -0.134 176.099 176.300 -0.112 0.000 1.137 309 D CA 1.375 55.071 54.000 -0.506 0.000 0.868 309 D CB 0.826 41.025 40.800 -1.002 0.000 1.180 309 D HN -0.475 7.442 8.370 -0.463 0.175 0.465 310 S N 3.433 119.138 115.700 0.008 0.000 2.733 310 S HA 0.073 nan 4.470 nan 0.000 0.247 310 S C -0.052 174.604 174.600 0.093 0.000 1.043 310 S CA -0.562 57.665 58.200 0.046 0.000 1.066 310 S CB 1.624 64.855 63.200 0.051 0.000 1.045 310 S HN 0.327 8.671 8.310 0.057 0.000 0.586 311 Y N 5.814 126.107 120.300 -0.012 0.000 2.677 311 Y HA -0.251 nan 4.550 nan 0.000 0.335 311 Y C -0.430 175.526 175.900 0.092 0.000 1.162 311 Y CA 1.309 59.421 58.100 0.020 0.000 1.483 311 Y CB -0.272 38.261 38.460 0.121 0.000 1.209 311 Y HN -0.204 8.516 8.280 0.197 -0.321 0.528 312 Y N 5.054 125.186 120.300 -0.279 0.000 4.079 312 Y HA -0.438 nan 4.550 nan 0.000 0.223 312 Y C -0.955 174.839 175.900 -0.178 0.000 1.155 312 Y CA 1.370 59.283 58.100 -0.311 0.000 1.805 312 Y CB -2.615 35.549 38.460 -0.495 0.000 1.571 312 Y HN 0.548 8.551 8.280 -0.463 0.000 0.654 313 N N -5.871 112.817 118.700 -0.019 0.000 2.984 313 N HA -0.246 nan 4.740 nan 0.000 0.227 313 N C -0.633 174.879 175.510 0.002 0.000 0.903 313 N CA 1.360 54.404 53.050 -0.009 0.000 0.995 313 N CB 0.123 38.598 38.487 -0.019 0.000 1.065 313 N HN 0.445 8.700 8.380 -0.041 0.100 0.585 314 G N -1.565 107.241 108.800 0.009 0.000 3.313 314 G HA2 -0.464 nan 3.960 nan 0.000 0.563 314 G HA3 -0.464 nan 3.960 nan 0.000 0.563 314 G C -2.454 172.438 174.900 -0.013 0.000 1.037 314 G CA 0.348 45.454 45.100 0.011 0.000 0.848 314 G HN 0.041 8.150 8.290 0.024 0.195 0.416 315 N N 2.708 121.338 118.700 -0.117 0.000 2.571 315 N HA 0.569 nan 4.740 nan 0.000 0.273 315 N C -2.877 172.308 175.510 -0.540 0.000 1.340 315 N CA -2.256 50.507 53.050 -0.477 0.000 0.789 315 N CB 3.032 41.224 38.487 -0.491 0.000 1.514 315 N HN -0.131 8.243 8.380 -0.010 0.000 0.499 316 P HA 0.190 nan 4.420 nan 0.000 0.274 316 P C -1.549 175.271 177.300 -0.800 0.000 1.231 316 P CA -0.081 62.423 63.100 -0.994 0.000 0.790 316 P CB 0.636 31.437 31.700 -1.498 0.000 0.951 317 W N -1.422 119.434 121.300 -0.740 0.000 2.666 317 W HA 0.265 nan 4.660 nan 0.000 0.334 317 W C 1.289 177.709 176.519 -0.165 0.000 1.051 317 W CA -1.541 55.540 57.345 -0.441 0.000 1.224 317 W CB 2.391 31.633 29.460 -0.364 0.000 1.405 317 W HN 0.232 8.253 8.180 -0.264 0.000 0.513 318 F N 2.841 122.944 119.950 0.254 0.000 2.102 318 F HA -0.412 nan 4.527 nan 0.000 0.298 318 F C 1.602 177.469 175.800 0.111 0.000 1.105 318 F CA 5.343 63.476 58.000 0.222 0.000 1.239 318 F CB -0.174 38.856 39.000 0.051 0.000 0.991 318 F HN -0.008 8.403 8.300 0.186 0.000 0.474 319 L N -2.758 118.597 121.223 0.221 0.000 2.131 319 L HA -0.279 nan 4.340 nan 0.000 0.210 319 L C 1.644 178.546 176.870 0.053 0.000 1.092 319 L CA 3.428 58.301 54.840 0.055 0.000 0.759 319 L CB -1.235 40.666 42.059 -0.263 0.000 0.903 319 L HN -0.088 8.278 8.230 0.227 0.000 0.435 320 C N -1.699 117.631 119.300 0.051 0.000 2.466 320 C HA -0.202 nan 4.460 nan 0.000 0.278 320 C C 2.235 177.188 174.990 -0.062 0.000 1.288 320 C CA 3.519 62.517 59.018 -0.033 0.000 1.722 320 C CB -2.004 25.638 27.740 -0.162 0.000 2.017 320 C HN -0.099 8.182 8.230 0.118 0.020 0.488 321 T N 2.936 117.497 114.554 0.011 0.000 2.821 321 T HA -0.288 nan 4.350 nan 0.000 0.267 321 T C 1.879 176.594 174.700 0.025 0.000 1.046 321 T CA 4.914 67.044 62.100 0.050 0.000 1.139 321 T CB -0.524 68.480 68.868 0.228 0.000 0.871 321 T HN -0.241 8.044 8.240 0.074 0.000 0.454 322 L N -0.325 120.957 121.223 0.098 0.000 2.141 322 L HA -0.275 nan 4.340 nan 0.000 0.209 322 L C 1.440 178.323 176.870 0.023 0.000 1.094 322 L CA 3.023 57.928 54.840 0.109 0.000 0.763 322 L CB -0.632 41.533 42.059 0.176 0.000 0.908 322 L HN 0.175 8.490 8.230 0.143 0.000 0.437 323 A N -0.790 122.028 122.820 -0.004 0.000 1.930 323 A HA -0.325 nan 4.320 nan 0.000 0.217 323 A C 1.633 179.139 177.584 -0.131 0.000 1.175 323 A CA 3.033 55.057 52.037 -0.022 0.000 0.627 323 A CB -1.218 17.799 19.000 0.029 0.000 0.815 323 A HN -0.186 7.878 8.150 0.014 0.094 0.443 324 A N -2.430 120.209 122.820 -0.302 0.000 1.933 324 A HA -0.282 nan 4.320 nan 0.000 0.218 324 A C 2.039 179.305 177.584 -0.530 0.000 1.175 324 A CA 2.857 54.560 52.037 -0.557 0.000 0.628 324 A CB -0.775 17.491 19.000 -1.224 0.000 0.814 324 A HN -0.305 7.664 8.150 -0.285 0.010 0.444 325 A N -1.458 121.073 122.820 -0.482 0.000 1.898 325 A HA -0.229 nan 4.320 nan 0.000 0.214 325 A C 1.791 179.098 177.584 -0.463 0.000 1.183 325 A CA 2.783 54.570 52.037 -0.416 0.000 0.622 325 A CB -0.624 18.281 19.000 -0.157 0.000 0.824 325 A HN -0.474 7.341 8.150 -0.387 0.103 0.444 326 E N -0.713 119.394 120.200 -0.154 0.000 2.085 326 E HA -0.476 nan 4.350 nan 0.000 0.194 326 E C 1.905 178.423 176.600 -0.137 0.000 0.994 326 E CA 3.249 59.637 56.400 -0.020 0.000 0.801 326 E CB -0.199 29.525 29.700 0.039 0.000 0.743 326 E HN 0.053 8.359 8.360 -0.089 0.000 0.453 327 Q N -1.248 118.456 119.800 -0.159 0.000 2.124 327 Q HA -0.267 nan 4.340 nan 0.000 0.202 327 Q C 2.509 178.332 176.000 -0.294 0.000 0.977 327 Q CA 3.265 58.955 55.803 -0.188 0.000 0.850 327 Q CB -0.049 28.651 28.738 -0.062 0.000 0.901 327 Q HN -0.259 7.935 8.270 -0.127 0.000 0.429 328 L N -1.462 119.567 121.223 -0.324 0.000 2.109 328 L HA -0.327 nan 4.340 nan 0.000 0.207 328 L C 2.319 179.058 176.870 -0.218 0.000 1.086 328 L CA 2.777 57.433 54.840 -0.306 0.000 0.760 328 L CB -0.373 41.546 42.059 -0.233 0.000 0.910 328 L HN -0.662 7.274 8.230 -0.323 0.101 0.437 329 Y N -1.418 118.823 120.300 -0.099 0.000 2.224 329 Y HA -0.461 nan 4.550 nan 0.000 0.289 329 Y C 2.653 178.458 175.900 -0.159 0.000 1.146 329 Y CA 1.916 59.976 58.100 -0.066 0.000 1.182 329 Y CB -1.290 37.155 38.460 -0.025 0.000 0.983 329 Y HN -0.128 7.911 8.280 -0.400 0.000 0.524 330 D N -0.497 119.778 120.400 -0.209 0.000 2.117 330 D HA -0.308 nan 4.640 nan 0.000 0.198 330 D C 2.175 178.206 176.300 -0.449 0.000 0.982 330 D CA 3.259 56.900 54.000 -0.599 0.000 0.828 330 D CB -0.664 39.461 40.800 -1.125 0.000 0.967 330 D HN -0.131 8.108 8.370 -0.211 0.005 0.464 331 A N -0.016 122.503 122.820 -0.501 0.000 1.902 331 A HA -0.224 nan 4.320 nan 0.000 0.217 331 A C 2.159 179.208 177.584 -0.891 0.000 1.181 331 A CA 3.084 54.631 52.037 -0.817 0.000 0.623 331 A CB -0.590 17.796 19.000 -1.024 0.000 0.818 331 A HN -0.230 7.579 8.150 -0.458 0.066 0.443 332 L N -2.206 118.785 121.223 -0.387 0.000 2.046 332 L HA -0.457 nan 4.340 nan 0.000 0.208 332 L C 1.777 178.728 176.870 0.134 0.000 1.077 332 L CA 3.181 58.043 54.840 0.036 0.000 0.747 332 L CB -0.336 41.840 42.059 0.195 0.000 0.896 332 L HN -0.003 8.055 8.230 -0.287 0.000 0.432 333 Y N -0.618 119.681 120.300 -0.000 0.000 2.145 333 Y HA -0.604 nan 4.550 nan 0.000 0.286 333 Y C 1.831 177.800 175.900 0.115 0.000 1.145 333 Y CA 3.979 62.131 58.100 0.086 0.000 1.148 333 Y CB -0.042 38.481 38.460 0.105 0.000 0.981 333 Y HN -0.494 7.805 8.280 0.158 0.075 0.507 334 Q N -1.585 118.312 119.800 0.163 0.000 2.084 334 Q HA -0.426 nan 4.340 nan 0.000 0.202 334 Q C 2.526 178.617 176.000 0.151 0.000 0.978 334 Q CA 3.414 59.295 55.803 0.130 0.000 0.844 334 Q CB -0.183 28.605 28.738 0.083 0.000 0.898 334 Q HN -0.128 8.211 8.270 0.116 0.000 0.426 335 W N -1.515 119.871 121.300 0.144 0.000 2.355 335 W HA -0.250 nan 4.660 nan 0.000 0.309 335 W C 2.299 178.933 176.519 0.192 0.000 1.206 335 W CA 1.413 58.872 57.345 0.191 0.000 1.284 335 W CB -0.674 28.917 29.460 0.218 0.000 1.145 335 W HN 0.371 8.524 8.180 -0.045 0.000 0.502 336 D N -1.051 119.574 120.400 0.375 0.000 2.097 336 D HA -0.340 nan 4.640 nan 0.000 0.195 336 D C 1.525 177.851 176.300 0.043 0.000 0.989 336 D CA 3.313 57.442 54.000 0.215 0.000 0.827 336 D CB 0.121 40.990 40.800 0.116 0.000 0.966 336 D HN -0.337 8.241 8.370 0.346 0.000 0.456 337 K N -2.461 117.887 120.400 -0.087 0.000 2.097 337 K HA -0.238 nan 4.320 nan 0.000 0.206 337 K C 2.249 178.846 176.600 -0.005 0.000 1.049 337 K CA 2.150 58.366 56.287 -0.118 0.000 0.933 337 K CB 0.130 32.485 32.500 -0.242 0.000 0.717 337 K HN -0.385 7.772 8.250 -0.155 0.000 0.442 338 Q N -3.781 116.060 119.800 0.068 0.000 2.245 338 Q HA -0.097 nan 4.340 nan 0.000 0.201 338 Q C 1.086 177.117 176.000 0.052 0.000 0.955 338 Q CA 0.907 56.760 55.803 0.083 0.000 0.870 338 Q CB 0.890 29.720 28.738 0.153 0.000 0.945 338 Q HN -0.343 7.994 8.270 0.111 0.000 0.461 339 G N -1.104 107.725 108.800 0.048 0.000 2.136 339 G HA2 -0.352 nan 3.960 nan 0.000 0.242 339 G HA3 -0.352 nan 3.960 nan 0.000 0.242 339 G C -1.437 173.403 174.900 -0.100 0.000 0.989 339 G CA 0.369 45.438 45.100 -0.053 0.000 0.682 339 G HN 0.172 8.397 8.290 0.100 0.124 0.522 340 S N -1.915 113.812 115.700 0.044 0.000 2.615 340 S HA 0.675 nan 4.470 nan 0.000 0.268 340 S C -2.197 172.524 174.600 0.201 0.000 1.146 340 S CA -0.393 57.847 58.200 0.065 0.000 0.818 340 S CB 2.810 66.019 63.200 0.015 0.000 1.111 340 S HN -0.641 7.734 8.310 0.166 0.034 0.465 341 L N -0.844 120.437 121.223 0.096 0.000 2.455 341 L HA 0.518 nan 4.340 nan 0.000 0.264 341 L C -2.808 174.018 176.870 -0.073 0.000 0.968 341 L CA -0.375 54.343 54.840 -0.203 0.000 0.827 341 L CB 3.514 45.177 42.059 -0.660 0.000 1.317 341 L HN 0.658 8.964 8.230 0.126 0.000 0.407 342 E N 4.670 124.849 120.200 -0.034 0.000 2.212 342 E HA 0.740 nan 4.350 nan 0.000 0.268 342 E C -1.579 175.014 176.600 -0.011 0.000 0.902 342 E CA -1.703 54.699 56.400 0.004 0.000 0.779 342 E CB 2.920 32.648 29.700 0.046 0.000 1.172 342 E HN 0.139 8.522 8.360 0.038 0.000 0.409 343 I N 5.189 125.754 120.570 -0.009 0.000 2.406 343 I HA 0.493 nan 4.170 nan 0.000 0.290 343 I C -1.252 174.932 176.117 0.112 0.000 0.999 343 I CA -1.243 60.059 61.300 0.003 0.000 1.124 343 I CB 1.746 39.684 38.000 -0.104 0.000 1.289 343 I HN 0.780 9.008 8.210 0.030 0.000 0.441 344 T N 3.879 118.540 114.554 0.179 0.000 2.905 344 T HA 0.429 nan 4.350 nan 0.000 0.283 344 T C -0.357 174.445 174.700 0.170 0.000 1.031 344 T CA -2.227 59.959 62.100 0.143 0.000 1.002 344 T CB 2.639 71.582 68.868 0.124 0.000 1.200 344 T HN 0.120 8.518 8.240 0.264 0.000 0.560 345 D N -0.492 119.991 120.400 0.138 0.000 2.178 345 D HA -0.151 nan 4.640 nan 0.000 0.201 345 D C 1.838 178.246 176.300 0.180 0.000 0.980 345 D CA 2.903 56.989 54.000 0.144 0.000 0.842 345 D CB -0.355 40.515 40.800 0.117 0.000 0.948 345 D HN 0.308 8.745 8.370 0.113 0.000 0.472 346 V N -2.096 117.932 119.914 0.190 0.000 2.358 346 V HA -0.190 nan 4.120 nan 0.000 0.246 346 V C 1.238 177.489 176.094 0.262 0.000 1.047 346 V CA 2.516 64.957 62.300 0.234 0.000 1.035 346 V CB -0.211 31.733 31.823 0.202 0.000 0.658 346 V HN -0.690 7.580 8.190 0.164 0.019 0.452 347 S N -2.401 113.466 115.700 0.278 0.000 2.556 347 S HA 0.015 nan 4.470 nan 0.000 0.216 347 S C 1.645 176.528 174.600 0.472 0.000 0.970 347 S CA 1.135 59.544 58.200 0.348 0.000 0.912 347 S CB 1.382 64.821 63.200 0.397 0.000 0.790 347 S HN -0.682 7.786 8.310 0.262 0.000 0.504 348 L N 3.215 124.665 121.223 0.378 0.000 1.990 348 L HA -0.390 nan 4.340 nan 0.000 0.213 348 L C 0.607 177.661 176.870 0.308 0.000 1.072 348 L CA 3.946 58.996 54.840 0.349 0.000 0.755 348 L CB -0.377 41.814 42.059 0.220 0.000 0.889 348 L HN -0.379 7.977 8.230 0.302 0.055 0.432 349 D N -2.029 118.514 120.400 0.239 0.000 2.149 349 D HA -0.377 nan 4.640 nan 0.000 0.198 349 D C 2.648 179.041 176.300 0.155 0.000 0.990 349 D CA 3.544 57.647 54.000 0.172 0.000 0.839 349 D CB -0.736 40.155 40.800 0.153 0.000 0.948 349 D HN 0.191 8.702 8.370 0.235 0.000 0.460 350 F N 1.150 121.137 119.950 0.061 0.000 2.095 350 F HA -0.381 nan 4.527 nan 0.000 0.298 350 F C 1.286 177.019 175.800 -0.112 0.000 1.104 350 F CA 3.114 61.081 58.000 -0.055 0.000 1.232 350 F CB 0.098 38.992 39.000 -0.175 0.000 0.987 350 F HN -0.940 7.574 8.300 0.358 0.000 0.475 351 F N -2.350 117.652 119.950 0.086 0.000 2.146 351 F HA -0.418 nan 4.527 nan 0.000 0.298 351 F C 1.853 177.603 175.800 -0.083 0.000 1.096 351 F CA 3.600 61.578 58.000 -0.037 0.000 1.275 351 F CB -0.289 38.791 39.000 0.133 0.000 1.008 351 F HN -0.608 7.911 8.300 0.364 0.000 0.480 352 K N -0.374 120.116 120.400 0.150 0.000 2.147 352 K HA -0.352 nan 4.320 nan 0.000 0.205 352 K C 1.769 178.337 176.600 -0.054 0.000 1.049 352 K CA 2.925 59.236 56.287 0.040 0.000 0.936 352 K CB -0.167 32.361 32.500 0.047 0.000 0.722 352 K HN 0.256 8.635 8.250 0.215 0.000 0.446 353 A N -2.487 120.265 122.820 -0.113 0.000 1.972 353 A HA -0.084 nan 4.320 nan 0.000 0.219 353 A C 1.293 178.732 177.584 -0.241 0.000 1.169 353 A CA 2.198 54.129 52.037 -0.177 0.000 0.635 353 A CB -0.041 18.827 19.000 -0.220 0.000 0.810 353 A HN -0.453 7.620 8.150 -0.106 0.014 0.446 354 L N -5.587 115.467 121.223 -0.282 0.000 2.463 354 L HA -0.024 nan 4.340 nan 0.000 0.219 354 L C 0.141 176.997 176.870 -0.023 0.000 1.088 354 L CA 0.470 55.158 54.840 -0.254 0.000 0.849 354 L CB 1.222 43.052 42.059 -0.381 0.000 1.012 354 L HN -0.764 7.165 8.230 -0.280 0.133 0.468 355 Y N -0.021 120.202 120.300 -0.129 0.000 2.359 355 Y HA 0.188 nan 4.550 nan 0.000 0.336 355 Y C -0.679 175.177 175.900 -0.073 0.000 1.098 355 Y CA -1.262 56.782 58.100 -0.092 0.000 1.272 355 Y CB 0.796 39.202 38.460 -0.090 0.000 1.112 355 Y HN -0.072 8.232 8.280 0.040 0.000 0.481 356 S N 7.376 122.869 115.700 -0.345 0.000 2.440 356 S HA -0.337 nan 4.470 nan 0.000 0.240 356 S C 1.415 175.750 174.600 -0.442 0.000 1.014 356 S CA 2.618 60.628 58.200 -0.316 0.000 0.980 356 S CB -0.241 62.832 63.200 -0.211 0.000 0.775 356 S HN 0.246 8.409 8.310 -0.244 0.000 0.499 357 G N -0.518 107.738 108.800 -0.907 0.000 3.026 357 G HA2 0.063 nan 3.960 nan 0.000 0.208 357 G HA3 0.063 nan 3.960 nan 0.000 0.208 357 G C -0.771 173.883 174.900 -0.409 0.000 1.169 357 G CA -0.999 43.685 45.100 -0.693 0.000 0.788 357 G HN -0.191 7.180 8.290 -1.460 0.042 0.533 358 A N 0.930 123.585 122.820 -0.274 0.000 2.540 358 A HA -0.075 nan 4.320 nan 0.000 0.239 358 A C -1.962 175.642 177.584 0.034 0.000 1.061 358 A CA 1.037 53.099 52.037 0.043 0.000 0.758 358 A CB 0.732 19.819 19.000 0.144 0.000 0.991 358 A HN -0.435 7.411 8.150 -0.371 0.081 0.502 359 A N 2.243 125.111 122.820 0.080 0.000 2.572 359 A HA 0.326 nan 4.320 nan 0.000 0.295 359 A C -1.067 176.626 177.584 0.181 0.000 1.072 359 A CA -0.708 51.400 52.037 0.119 0.000 0.691 359 A CB 2.491 21.565 19.000 0.124 0.000 1.291 359 A HN -0.149 8.039 8.150 0.063 0.000 0.404 360 T N -1.597 113.037 114.554 0.133 0.000 2.903 360 T HA 0.217 nan 4.350 nan 0.000 0.314 360 T C 0.562 175.309 174.700 0.077 0.000 1.078 360 T CA -0.203 61.966 62.100 0.114 0.000 1.114 360 T CB 0.194 69.109 68.868 0.078 0.000 0.987 360 T HN 0.374 8.677 8.240 0.105 0.000 0.548 361 G N 1.094 109.885 108.800 -0.014 0.000 2.369 361 G HA2 -0.175 nan 3.960 nan 0.000 0.293 361 G HA3 -0.175 nan 3.960 nan 0.000 0.293 361 G C -3.163 171.473 174.900 -0.440 0.000 1.301 361 G CA -0.043 44.895 45.100 -0.271 0.000 0.913 361 G HN -0.024 8.278 8.290 0.021 0.000 0.540 362 T N 1.631 115.821 114.554 -0.607 0.000 2.779 362 T HA 0.718 nan 4.350 nan 0.000 0.280 362 T C -0.850 173.444 174.700 -0.677 0.000 0.987 362 T CA -0.164 61.672 62.100 -0.439 0.000 0.966 362 T CB 0.790 69.521 68.868 -0.229 0.000 0.933 362 T HN -0.184 7.708 8.240 -0.579 0.000 0.442 363 Y N 5.536 125.789 120.300 -0.079 0.000 2.326 363 Y HA 0.244 nan 4.550 nan 0.000 0.331 363 Y C -0.561 175.313 175.900 -0.044 0.000 0.962 363 Y CA -2.133 55.934 58.100 -0.055 0.000 1.167 363 Y CB 1.853 40.271 38.460 -0.069 0.000 1.148 363 Y HN 1.173 9.338 8.280 -0.012 0.109 0.463 364 S N 3.505 119.208 115.700 0.005 0.000 2.584 364 S HA 0.119 nan 4.470 nan 0.000 0.270 364 S C 1.569 175.948 174.600 -0.369 0.000 1.346 364 S CA -0.577 57.543 58.200 -0.133 0.000 1.018 364 S CB 1.012 64.144 63.200 -0.113 0.000 0.899 364 S HN 0.647 8.957 8.310 0.000 0.000 0.542 365 S N 1.321 116.605 115.700 -0.693 0.000 2.469 365 S HA -0.276 nan 4.470 nan 0.000 0.238 365 S C 0.922 175.161 174.600 -0.602 0.000 0.998 365 S CA 2.459 59.845 58.200 -1.357 0.000 0.957 365 S CB -0.141 62.520 63.200 -0.898 0.000 0.764 365 S HN 0.420 8.376 8.310 -0.465 0.074 0.514 366 S N -1.640 113.889 115.700 -0.286 0.000 2.556 366 S HA 0.087 nan 4.470 nan 0.000 0.216 366 S C 0.727 175.300 174.600 -0.045 0.000 0.970 366 S CA 0.007 58.135 58.200 -0.120 0.000 0.912 366 S CB 0.561 63.710 63.200 -0.084 0.000 0.790 366 S HN -0.628 7.479 8.310 -0.262 0.045 0.504 367 S N 2.338 118.023 115.700 -0.026 0.000 2.603 367 S HA 0.115 nan 4.470 nan 0.000 0.268 367 S C 0.838 175.478 174.600 0.066 0.000 1.317 367 S CA -0.053 58.174 58.200 0.045 0.000 1.012 367 S CB 2.174 65.438 63.200 0.105 0.000 0.926 367 S HN -0.363 7.724 8.310 -0.084 0.173 0.539 368 S N 2.706 118.434 115.700 0.046 0.000 2.368 368 S HA -0.212 nan 4.470 nan 0.000 0.225 368 S C 1.947 176.521 174.600 -0.044 0.000 1.030 368 S CA 3.732 61.943 58.200 0.019 0.000 0.999 368 S CB -0.437 62.779 63.200 0.027 0.000 0.844 368 S HN 0.596 8.936 8.310 0.050 0.000 0.459 369 T N 4.807 119.322 114.554 -0.065 0.000 2.746 369 T HA -0.179 nan 4.350 nan 0.000 0.267 369 T C 1.601 176.067 174.700 -0.390 0.000 1.039 369 T CA 3.974 65.890 62.100 -0.306 0.000 1.142 369 T CB -0.610 67.994 68.868 -0.440 0.000 0.866 369 T HN -0.109 8.144 8.240 0.022 0.000 0.444 370 Y N 1.747 121.877 120.300 -0.284 0.000 2.097 370 Y HA -0.514 nan 4.550 nan 0.000 0.282 370 Y C 1.081 176.851 175.900 -0.216 0.000 1.152 370 Y CA 3.389 61.340 58.100 -0.247 0.000 1.136 370 Y CB -0.005 38.391 38.460 -0.107 0.000 0.975 370 Y HN -0.460 7.874 8.280 0.089 0.000 0.498 371 S N -2.069 113.676 115.700 0.075 0.000 2.365 371 S HA -0.556 nan 4.470 nan 0.000 0.225 371 S C 2.529 177.044 174.600 -0.143 0.000 1.039 371 S CA 3.553 61.761 58.200 0.013 0.000 1.033 371 S CB -0.415 62.817 63.200 0.053 0.000 0.887 371 S HN -0.376 8.039 8.310 0.175 0.000 0.447 372 S N 2.120 117.671 115.700 -0.248 0.000 2.356 372 S HA -0.290 nan 4.470 nan 0.000 0.223 372 S C 2.067 176.416 174.600 -0.418 0.000 1.032 372 S CA 4.209 62.209 58.200 -0.334 0.000 1.005 372 S CB -0.189 62.702 63.200 -0.515 0.000 0.867 372 S HN -0.409 7.752 8.310 -0.249 0.000 0.449 373 I N 1.087 121.305 120.570 -0.587 0.000 2.179 373 I HA -0.446 nan 4.170 nan 0.000 0.242 373 I C 1.472 177.463 176.117 -0.210 0.000 1.088 373 I CA 4.349 65.386 61.300 -0.438 0.000 1.357 373 I CB 0.042 37.715 38.000 -0.545 0.000 1.051 373 I HN -0.113 7.696 8.210 -0.668 0.000 0.409 374 V N -3.113 116.631 119.914 -0.283 0.000 2.490 374 V HA -0.433 nan 4.120 nan 0.000 0.250 374 V C 1.908 178.018 176.094 0.027 0.000 1.061 374 V CA 4.296 66.542 62.300 -0.090 0.000 1.064 374 V CB -1.333 30.375 31.823 -0.191 0.000 0.670 374 V HN 0.253 8.170 8.190 -0.455 0.000 0.461 375 S N 1.885 117.574 115.700 -0.018 0.000 2.368 375 S HA -0.337 nan 4.470 nan 0.000 0.225 375 S C 1.942 176.578 174.600 0.059 0.000 1.030 375 S CA 4.243 62.462 58.200 0.033 0.000 0.999 375 S CB -0.702 62.504 63.200 0.009 0.000 0.844 375 S HN -0.294 7.965 8.310 -0.085 0.000 0.459 376 A N 1.651 124.486 122.820 0.025 0.000 1.902 376 A HA -0.199 nan 4.320 nan 0.000 0.217 376 A C 2.250 179.900 177.584 0.111 0.000 1.181 376 A CA 3.160 55.222 52.037 0.043 0.000 0.623 376 A CB -0.719 18.282 19.000 0.001 0.000 0.818 376 A HN -0.372 7.759 8.150 -0.031 0.000 0.443 377 V N -0.267 119.741 119.914 0.157 0.000 2.358 377 V HA -0.466 nan 4.120 nan 0.000 0.246 377 V C 1.914 178.185 176.094 0.295 0.000 1.047 377 V CA 4.501 66.972 62.300 0.286 0.000 1.035 377 V CB -0.921 31.152 31.823 0.417 0.000 0.658 377 V HN 0.329 8.591 8.190 0.120 0.000 0.452 378 K N -1.266 119.281 120.400 0.245 0.000 2.057 378 K HA -0.308 nan 4.320 nan 0.000 0.207 378 K C 2.029 178.777 176.600 0.246 0.000 1.049 378 K CA 3.114 59.557 56.287 0.261 0.000 0.931 378 K CB -0.639 31.997 32.500 0.226 0.000 0.714 378 K HN 0.175 8.550 8.250 0.209 0.000 0.440 379 T N 2.770 117.447 114.554 0.204 0.000 2.746 379 T HA -0.263 nan 4.350 nan 0.000 0.267 379 T C 2.133 176.963 174.700 0.218 0.000 1.039 379 T CA 4.833 67.040 62.100 0.177 0.000 1.142 379 T CB -0.629 68.316 68.868 0.128 0.000 0.866 379 T HN -0.358 7.990 8.240 0.179 0.000 0.444 380 F N 2.342 122.328 119.950 0.061 0.000 2.102 380 F HA -0.432 nan 4.527 nan 0.000 0.298 380 F C 0.581 176.453 175.800 0.121 0.000 1.105 380 F CA 1.795 59.820 58.000 0.042 0.000 1.239 380 F CB -0.198 38.846 39.000 0.074 0.000 0.991 380 F HN -0.342 8.171 8.300 0.355 0.000 0.474 381 A N -1.190 121.735 122.820 0.175 0.000 1.877 381 A HA -0.407 nan 4.320 nan 0.000 0.216 381 A C 2.082 179.735 177.584 0.115 0.000 1.186 381 A CA 3.251 55.297 52.037 0.015 0.000 0.620 381 A CB -0.913 17.873 19.000 -0.357 0.000 0.822 381 A HN 0.161 8.478 8.150 0.279 0.000 0.443 382 D N -1.911 118.618 120.400 0.215 0.000 2.221 382 D HA -0.264 nan 4.640 nan 0.000 0.204 382 D C 2.609 178.984 176.300 0.125 0.000 0.982 382 D CA 2.997 57.147 54.000 0.251 0.000 0.857 382 D CB -0.437 40.496 40.800 0.222 0.000 0.934 382 D HN -0.025 8.484 8.370 0.233 0.000 0.475 383 G N -1.275 107.539 108.800 0.023 0.000 2.440 383 G HA2 -0.290 nan 3.960 nan 0.000 0.218 383 G HA3 -0.290 nan 3.960 nan 0.000 0.218 383 G C 1.170 175.970 174.900 -0.168 0.000 1.154 383 G CA 2.100 47.132 45.100 -0.114 0.000 0.767 383 G HN -0.118 8.070 8.290 0.044 0.127 0.552 384 F N 1.355 121.258 119.950 -0.077 0.000 2.134 384 F HA -0.274 nan 4.527 nan 0.000 0.299 384 F C 2.065 177.871 175.800 0.010 0.000 1.097 384 F CA 3.624 61.589 58.000 -0.058 0.000 1.264 384 F CB -0.243 38.691 39.000 -0.110 0.000 1.001 384 F HN -0.756 7.408 8.300 -0.078 0.090 0.479 385 V N -1.043 119.013 119.914 0.237 0.000 2.515 385 V HA -0.509 nan 4.120 nan 0.000 0.250 385 V C 1.880 178.002 176.094 0.047 0.000 1.058 385 V CA 3.955 66.380 62.300 0.209 0.000 1.064 385 V CB -1.347 30.659 31.823 0.305 0.000 0.675 385 V HN -0.554 7.716 8.190 0.256 0.074 0.461 386 S N 0.611 116.305 115.700 -0.011 0.000 2.383 386 S HA -0.277 nan 4.470 nan 0.000 0.227 386 S C 1.844 176.322 174.600 -0.204 0.000 1.026 386 S CA 4.438 62.554 58.200 -0.140 0.000 0.981 386 S CB -0.512 62.629 63.200 -0.097 0.000 0.818 386 S HN -0.213 8.009 8.310 0.033 0.108 0.472 387 I N 1.552 122.059 120.570 -0.105 0.000 2.286 387 I HA -0.479 nan 4.170 nan 0.000 0.248 387 I C 1.315 177.342 176.117 -0.150 0.000 1.115 387 I CA 4.327 65.579 61.300 -0.080 0.000 1.392 387 I CB -0.113 37.920 38.000 0.055 0.000 1.065 387 I HN -0.551 7.630 8.210 -0.049 0.000 0.418 388 V N -0.424 119.433 119.914 -0.094 0.000 2.307 388 V HA -0.543 nan 4.120 nan 0.000 0.245 388 V C 1.621 177.566 176.094 -0.248 0.000 1.045 388 V CA 4.451 66.735 62.300 -0.026 0.000 1.024 388 V CB -0.772 31.174 31.823 0.206 0.000 0.651 388 V HN -0.518 7.570 8.190 -0.015 0.092 0.449 389 E N -1.678 118.128 120.200 -0.656 0.000 2.097 389 E HA -0.405 nan 4.350 nan 0.000 0.196 389 E C 2.737 178.867 176.600 -0.782 0.000 1.000 389 E CA 3.393 58.968 56.400 -1.376 0.000 0.804 389 E CB -0.176 28.536 29.700 -1.646 0.000 0.740 389 E HN -0.013 8.038 8.360 -0.515 0.000 0.454 390 T N 0.277 114.466 114.554 -0.607 0.000 2.833 390 T HA -0.177 nan 4.350 nan 0.000 0.269 390 T C 1.158 175.454 174.700 -0.673 0.000 1.054 390 T CA 2.948 64.676 62.100 -0.620 0.000 1.135 390 T CB -0.132 68.310 68.868 -0.710 0.000 0.869 390 T HN -0.026 7.875 8.240 -0.551 0.009 0.466 391 H N -1.936 116.979 119.070 -0.258 0.000 2.652 391 H HA 0.237 nan 4.556 nan 0.000 0.274 391 H C -0.701 174.628 175.328 0.002 0.000 1.021 391 H CA -0.811 55.123 56.048 -0.190 0.000 1.187 391 H CB 0.789 30.254 29.762 -0.496 0.000 1.505 391 H HN -0.482 7.418 8.280 -0.408 0.136 0.530 392 A N -1.195 121.642 122.820 0.028 0.000 2.366 392 A HA 0.045 nan 4.320 nan 0.000 0.249 392 A C -0.860 176.736 177.584 0.020 0.000 1.084 392 A CA -0.466 51.560 52.037 -0.018 0.000 0.794 392 A CB 0.922 19.976 19.000 0.089 0.000 1.034 392 A HN -0.622 7.470 8.150 -0.096 0.000 0.491 393 A N 0.499 123.326 122.820 0.012 0.000 2.366 393 A HA 0.092 nan 4.320 nan 0.000 0.249 393 A C 1.217 178.836 177.584 0.058 0.000 1.084 393 A CA -0.765 51.287 52.037 0.025 0.000 0.794 393 A CB 0.578 19.583 19.000 0.008 0.000 1.034 393 A HN 0.090 8.316 8.150 -0.037 -0.098 0.491 394 S N 0.088 115.814 115.700 0.043 0.000 2.402 394 S HA -0.267 nan 4.470 nan 0.000 0.233 394 S C -0.077 174.569 174.600 0.077 0.000 1.030 394 S CA 2.552 60.787 58.200 0.057 0.000 1.003 394 S CB -0.367 62.852 63.200 0.032 0.000 0.813 394 S HN 0.626 8.951 8.310 0.025 0.000 0.477 395 N N -1.542 117.196 118.700 0.065 0.000 2.322 395 N HA 0.001 nan 4.740 nan 0.000 0.194 395 N C -0.210 175.348 175.510 0.080 0.000 1.126 395 N CA -0.645 52.444 53.050 0.065 0.000 0.845 395 N CB -0.295 38.225 38.487 0.055 0.000 0.976 395 N HN -0.039 8.350 8.380 0.052 0.022 0.475 396 G N -0.430 108.438 108.800 0.112 0.000 2.176 396 G HA2 -0.400 nan 3.960 nan 0.000 0.232 396 G HA3 -0.400 nan 3.960 nan 0.000 0.232 396 G C 0.029 175.017 174.900 0.146 0.000 0.986 396 G CA -0.170 45.008 45.100 0.129 0.000 0.643 396 G HN 0.159 8.317 8.290 0.119 0.204 0.522 397 S N 2.875 118.645 115.700 0.118 0.000 2.552 397 S HA -0.064 nan 4.470 nan 0.000 0.289 397 S C -1.247 173.293 174.600 -0.100 0.000 1.304 397 S CA 2.318 60.590 58.200 0.120 0.000 1.063 397 S CB 0.572 63.800 63.200 0.048 0.000 0.848 397 S HN -0.441 8.139 8.310 0.092 -0.214 0.499 398 L N 5.242 126.300 121.223 -0.275 0.000 2.343 398 L HA 0.364 nan 4.340 nan 0.000 0.278 398 L C -1.052 175.500 176.870 -0.530 0.000 0.996 398 L CA -1.575 52.828 54.840 -0.728 0.000 0.831 398 L CB 1.914 43.392 42.059 -0.968 0.000 1.232 398 L HN -0.132 8.031 8.230 -0.111 0.000 0.413 399 S N 3.996 119.500 115.700 -0.328 0.000 2.607 399 S HA 0.395 nan 4.470 nan 0.000 0.272 399 S C 0.704 175.243 174.600 -0.102 0.000 1.166 399 S CA -0.997 57.102 58.200 -0.168 0.000 1.021 399 S CB 2.072 65.210 63.200 -0.102 0.000 1.113 399 S HN -0.223 8.044 8.310 -0.311 -0.143 0.531 400 E N 0.648 120.695 120.200 -0.255 0.000 2.051 400 E HA -0.155 nan 4.350 nan 0.000 0.189 400 E C 0.288 176.520 176.600 -0.613 0.000 0.979 400 E CA 2.371 58.494 56.400 -0.462 0.000 0.803 400 E CB 0.877 30.161 29.700 -0.693 0.000 0.761 400 E HN -0.053 8.114 8.360 -0.321 0.000 0.451 401 Q N -5.098 114.358 119.800 -0.573 0.000 2.528 401 Q HA 0.730 nan 4.340 nan 0.000 0.289 401 Q C -1.042 174.756 176.000 -0.336 0.000 1.091 401 Q CA -2.085 53.328 55.803 -0.650 0.000 0.797 401 Q CB 4.854 33.091 28.738 -0.835 0.000 1.466 401 Q HN -0.587 7.400 8.270 -0.471 0.000 0.436 402 F N -3.719 115.845 119.950 -0.643 0.000 2.556 402 F HA 0.497 nan 4.527 nan 0.000 0.314 402 F C -1.176 174.308 175.800 -0.527 0.000 1.106 402 F CA -2.828 54.835 58.000 -0.562 0.000 0.911 402 F CB 2.034 40.611 39.000 -0.705 0.000 1.190 402 F HN 0.113 7.828 8.300 -0.976 0.000 0.448 403 D N 3.043 123.260 120.400 -0.305 0.000 2.533 403 D HA -0.136 nan 4.640 nan 0.000 0.236 403 D C 1.379 177.419 176.300 -0.433 0.000 1.137 403 D CA 1.422 55.219 54.000 -0.338 0.000 0.867 403 D CB 1.163 41.841 40.800 -0.203 0.000 1.170 403 D HN 0.550 8.754 8.370 -0.174 0.062 0.474 404 K N 5.627 125.740 120.400 -0.478 0.000 2.280 404 K HA -0.369 nan 4.320 nan 0.000 0.202 404 K C 1.353 177.808 176.600 -0.243 0.000 1.047 404 K CA 3.035 59.006 56.287 -0.526 0.000 0.942 404 K CB 0.048 32.301 32.500 -0.412 0.000 0.739 404 K HN 0.240 8.534 8.250 -0.418 -0.296 0.457 405 S N -0.084 115.514 115.700 -0.169 0.000 2.620 405 S HA 0.025 nan 4.470 nan 0.000 0.234 405 S C 0.938 175.493 174.600 -0.074 0.000 1.064 405 S CA 2.494 60.642 58.200 -0.086 0.000 0.920 405 S CB 1.133 64.298 63.200 -0.059 0.000 0.826 405 S HN 0.104 8.573 8.310 -0.190 -0.273 0.557 406 D N -2.828 117.520 120.400 -0.087 0.000 2.398 406 D HA 0.153 nan 4.640 nan 0.000 0.210 406 D C 0.909 177.179 176.300 -0.051 0.000 1.094 406 D CA -1.011 52.960 54.000 -0.048 0.000 0.839 406 D CB 0.308 41.087 40.800 -0.034 0.000 0.963 406 D HN -0.294 8.363 8.370 -0.109 -0.352 0.506 407 G N -0.180 108.527 108.800 -0.154 0.000 2.155 407 G HA2 -0.499 nan 3.960 nan 0.000 0.257 407 G HA3 -0.499 nan 3.960 nan 0.000 0.257 407 G C -0.184 174.683 174.900 -0.054 0.000 0.983 407 G CA 0.675 45.619 45.100 -0.259 0.000 0.676 407 G HN -0.270 7.809 8.290 -0.186 0.100 0.528 408 D N 1.414 121.791 120.400 -0.038 0.000 2.372 408 D HA -0.005 nan 4.640 nan 0.000 0.243 408 D C -0.203 176.086 176.300 -0.018 0.000 1.121 408 D CA 0.291 54.285 54.000 -0.009 0.000 0.898 408 D CB 0.655 41.431 40.800 -0.039 0.000 1.202 408 D HN -0.049 8.591 8.370 -0.069 -0.311 0.428 409 E N 0.639 120.851 120.200 0.019 0.000 2.384 409 E HA 0.269 nan 4.350 nan 0.000 0.266 409 E C -0.500 176.029 176.600 -0.118 0.000 1.012 409 E CA 0.978 57.389 56.400 0.018 0.000 0.901 409 E CB 0.714 30.445 29.700 0.052 0.000 0.967 409 E HN 0.082 8.462 8.360 0.032 0.000 0.435 410 L N -1.720 119.373 121.223 -0.218 0.000 2.502 410 L HA 0.558 nan 4.340 nan 0.000 0.253 410 L C -1.434 175.106 176.870 -0.549 0.000 1.070 410 L CA -1.973 52.645 54.840 -0.369 0.000 0.871 410 L CB 3.381 45.203 42.059 -0.395 0.000 1.487 410 L HN 0.596 8.600 8.230 -0.199 0.107 0.408 411 S N -0.901 114.327 115.700 -0.787 0.000 3.514 411 S HA -0.384 nan 4.470 nan 0.000 0.634 411 S C -0.669 173.561 174.600 -0.617 0.000 2.489 411 S CA 0.179 57.797 58.200 -0.970 0.000 2.771 411 S CB 0.088 62.644 63.200 -1.074 0.000 0.328 411 S HN 0.328 8.176 8.310 -0.771 0.000 1.714 412 A N 1.230 123.642 122.820 -0.680 0.000 2.566 412 A HA -0.035 nan 4.320 nan 0.000 0.245 412 A C -0.451 176.925 177.584 -0.347 0.000 1.056 412 A CA 0.812 52.503 52.037 -0.577 0.000 0.757 412 A CB 0.275 18.721 19.000 -0.923 0.000 0.979 412 A HN 0.395 8.061 8.150 -0.807 0.000 0.508 413 R N 2.305 122.656 120.500 -0.249 0.000 2.560 413 R HA 0.044 nan 4.340 nan 0.000 0.270 413 R C -0.604 175.619 176.300 -0.129 0.000 1.074 413 R CA -0.277 55.706 56.100 -0.195 0.000 1.140 413 R CB 0.830 31.009 30.300 -0.201 0.000 1.073 413 R HN 0.216 8.343 8.270 -0.239 0.000 0.527 414 D N -2.815 117.528 120.400 -0.095 0.000 2.740 414 D HA -0.407 nan 4.640 nan 0.000 0.231 414 D C -1.086 175.334 176.300 0.200 0.000 1.194 414 D CA 1.403 55.470 54.000 0.112 0.000 0.673 414 D CB -1.434 39.374 40.800 0.013 0.000 0.995 414 D HN 0.360 8.653 8.370 -0.127 0.000 0.411 415 L N -0.738 120.484 121.223 -0.003 0.000 2.433 415 L HA -0.054 nan 4.340 nan 0.000 0.275 415 L C 0.542 177.526 176.870 0.189 0.000 1.128 415 L CA 0.429 55.323 54.840 0.091 0.000 0.875 415 L CB 0.762 42.823 42.059 0.004 0.000 1.171 415 L HN -0.586 7.550 8.230 -0.156 0.000 0.463 416 T N 9.329 124.098 114.554 0.358 0.000 2.699 416 T HA -0.356 nan 4.350 nan 0.000 0.268 416 T C 1.151 176.092 174.700 0.403 0.000 1.036 416 T CA 4.548 66.903 62.100 0.424 0.000 1.147 416 T CB -0.637 68.421 68.868 0.316 0.000 0.862 416 T HN 0.469 8.915 8.240 0.344 0.000 0.446 417 W N 0.946 122.331 121.300 0.142 0.000 2.363 417 W HA -0.264 nan 4.660 nan 0.000 0.296 417 W C 0.934 177.521 176.519 0.113 0.000 1.212 417 W CA 1.004 58.427 57.345 0.130 0.000 1.260 417 W CB -0.934 28.607 29.460 0.134 0.000 1.131 417 W HN 0.154 8.613 8.180 0.466 0.000 0.530 418 S N -0.274 115.507 115.700 0.135 0.000 2.370 418 S HA -0.452 nan 4.470 nan 0.000 0.226 418 S C 2.297 176.860 174.600 -0.062 0.000 1.033 418 S CA 3.671 61.824 58.200 -0.079 0.000 1.011 418 S CB -0.278 62.737 63.200 -0.308 0.000 0.852 418 S HN -0.693 7.605 8.310 0.125 0.088 0.457 419 Y N -0.106 120.276 120.300 0.136 0.000 2.242 419 Y HA -0.328 nan 4.550 nan 0.000 0.291 419 Y C 1.815 177.791 175.900 0.126 0.000 1.137 419 Y CA 2.710 60.868 58.100 0.098 0.000 1.181 419 Y CB -0.697 37.813 38.460 0.084 0.000 0.989 419 Y HN -0.674 7.572 8.280 -0.056 0.000 0.527 420 A N -1.094 121.928 122.820 0.337 0.000 1.930 420 A HA -0.337 nan 4.320 nan 0.000 0.217 420 A C 1.650 179.412 177.584 0.296 0.000 1.175 420 A CA 2.697 54.904 52.037 0.282 0.000 0.627 420 A CB -1.151 18.016 19.000 0.278 0.000 0.815 420 A HN -0.210 8.083 8.150 0.375 0.082 0.443 421 A N -1.064 121.962 122.820 0.342 0.000 1.969 421 A HA -0.207 nan 4.320 nan 0.000 0.218 421 A C 1.768 179.484 177.584 0.221 0.000 1.169 421 A CA 2.974 55.192 52.037 0.301 0.000 0.635 421 A CB -0.787 18.359 19.000 0.245 0.000 0.810 421 A HN 0.039 8.413 8.150 0.374 0.000 0.445 422 L N -1.286 120.051 121.223 0.191 0.000 2.056 422 L HA -0.219 nan 4.340 nan 0.000 0.207 422 L C 1.722 178.673 176.870 0.135 0.000 1.078 422 L CA 2.988 57.925 54.840 0.163 0.000 0.749 422 L CB -0.794 41.344 42.059 0.132 0.000 0.901 422 L HN -0.513 7.727 8.230 0.192 0.105 0.433 423 L N -2.755 118.548 121.223 0.133 0.000 2.046 423 L HA -0.470 nan 4.340 nan 0.000 0.208 423 L C 2.127 179.059 176.870 0.103 0.000 1.077 423 L CA 3.522 58.419 54.840 0.095 0.000 0.747 423 L CB -0.531 41.581 42.059 0.089 0.000 0.896 423 L HN -0.215 8.112 8.230 0.163 0.000 0.432 424 T N -3.710 110.930 114.554 0.144 0.000 2.857 424 T HA -0.244 nan 4.350 nan 0.000 0.266 424 T C 1.584 176.364 174.700 0.134 0.000 1.048 424 T CA 3.773 65.958 62.100 0.143 0.000 1.139 424 T CB -0.659 68.321 68.868 0.187 0.000 0.874 424 T HN 0.008 8.353 8.240 0.175 0.000 0.455 425 A N 2.045 124.963 122.820 0.164 0.000 1.898 425 A HA -0.332 nan 4.320 nan 0.000 0.216 425 A C 1.730 179.392 177.584 0.131 0.000 1.181 425 A CA 3.095 55.262 52.037 0.216 0.000 0.620 425 A CB -0.751 18.407 19.000 0.264 0.000 0.819 425 A HN -0.140 8.115 8.150 0.176 0.000 0.442 426 N N -1.571 117.179 118.700 0.084 0.000 2.120 426 N HA -0.362 nan 4.740 nan 0.000 0.188 426 N C 2.019 177.506 175.510 -0.038 0.000 1.024 426 N CA 3.626 56.679 53.050 0.006 0.000 0.852 426 N CB 0.119 38.614 38.487 0.013 0.000 1.003 426 N HN -0.115 8.331 8.380 0.110 0.000 0.424 427 N N 0.877 119.580 118.700 0.006 0.000 2.084 427 N HA -0.328 nan 4.740 nan 0.000 0.190 427 N C 2.449 177.948 175.510 -0.018 0.000 1.030 427 N CA 3.386 56.437 53.050 0.002 0.000 0.849 427 N CB 0.090 38.597 38.487 0.033 0.000 1.012 427 N HN -0.116 8.287 8.380 0.038 0.000 0.423 428 R N -1.256 119.243 120.500 -0.002 0.000 2.096 428 R HA -0.274 nan 4.340 nan 0.000 0.235 428 R C 2.653 178.886 176.300 -0.112 0.000 1.127 428 R CA 2.386 58.484 56.100 -0.003 0.000 0.968 428 R CB -0.850 29.496 30.300 0.078 0.000 0.861 428 R HN 0.049 8.341 8.270 0.037 0.000 0.440 429 R N 0.037 120.300 120.500 -0.394 0.000 2.105 429 R HA -0.284 nan 4.340 nan 0.000 0.239 429 R C 1.497 177.622 176.300 -0.292 0.000 1.135 429 R CA 3.086 58.701 56.100 -0.809 0.000 0.967 429 R CB -0.242 29.479 30.300 -0.966 0.000 0.861 429 R HN -0.047 8.040 8.270 -0.305 0.000 0.442 430 N N -2.714 115.899 118.700 -0.146 0.000 2.314 430 N HA 0.030 nan 4.740 nan 0.000 0.200 430 N C -1.070 174.453 175.510 0.023 0.000 1.135 430 N CA -0.190 52.833 53.050 -0.044 0.000 0.835 430 N CB -0.373 38.096 38.487 -0.030 0.000 0.989 430 N HN -0.504 7.669 8.380 -0.145 0.121 0.478 431 S N -2.725 113.005 115.700 0.048 0.000 3.561 431 S HA -0.350 nan 4.470 nan 0.000 0.318 431 S C -0.747 173.899 174.600 0.077 0.000 1.181 431 S CA 1.325 59.615 58.200 0.149 0.000 0.916 431 S CB -1.237 62.117 63.200 0.255 0.000 0.966 431 S HN -0.125 7.970 8.310 0.002 0.216 0.550 432 V N 1.590 121.515 119.914 0.018 0.000 2.348 432 V HA 0.133 nan 4.120 nan 0.000 0.270 432 V C -0.952 175.130 176.094 -0.020 0.000 1.037 432 V CA -0.058 62.248 62.300 0.010 0.000 0.872 432 V CB 0.079 31.912 31.823 0.017 0.000 1.002 432 V HN -0.029 8.035 8.190 0.007 0.130 0.464 433 V N 3.168 123.043 119.914 -0.066 0.000 2.850 433 V HA 0.723 nan 4.120 nan 0.000 0.315 433 V C -1.735 174.346 176.094 -0.023 0.000 1.064 433 V CA -4.344 57.908 62.300 -0.080 0.000 0.979 433 V CB 0.341 31.975 31.823 -0.316 0.000 1.039 433 V HN 0.143 8.302 8.190 -0.051 0.000 0.452 434 P HA 0.557 nan 4.420 nan 0.000 0.278 434 P C -2.840 174.453 177.300 -0.011 0.000 1.258 434 P CA -2.226 60.890 63.100 0.027 0.000 0.811 434 P CB -0.454 31.291 31.700 0.075 0.000 1.063 435 P HA 0.097 nan 4.420 nan 0.000 0.269 435 P C -1.340 175.968 177.300 0.014 0.000 1.215 435 P CA -0.069 63.049 63.100 0.029 0.000 0.780 435 P CB 0.573 32.316 31.700 0.072 0.000 0.898 436 S N 0.585 116.268 115.700 -0.028 0.000 2.579 436 S HA -0.044 nan 4.470 nan 0.000 0.275 436 S C 0.546 175.163 174.600 0.028 0.000 1.345 436 S CA -0.598 57.547 58.200 -0.092 0.000 1.031 436 S CB 0.575 63.690 63.200 -0.142 0.000 0.892 436 S HN 0.168 8.464 8.310 -0.024 0.000 0.529 437 W N 1.476 122.737 121.300 -0.067 0.000 3.005 437 W HA 0.195 nan 4.660 nan 0.000 0.374 437 W C -0.216 176.274 176.519 -0.048 0.000 1.076 437 W CA -1.598 55.718 57.345 -0.049 0.000 1.794 437 W CB 0.477 29.906 29.460 -0.053 0.000 1.113 437 W HN 0.082 8.287 8.180 -0.427 -0.281 0.584 438 G N 0.293 108.925 108.800 -0.281 0.000 2.130 438 G HA2 -0.433 nan 3.960 nan 0.000 0.216 438 G HA3 -0.433 nan 3.960 nan 0.000 0.216 438 G C 0.651 175.237 174.900 -0.523 0.000 0.999 438 G CA 0.201 45.141 45.100 -0.266 0.000 0.686 438 G HN -0.524 7.609 8.290 -0.372 -0.066 0.515 439 E N 1.549 121.068 120.200 -1.135 0.000 2.160 439 E HA -0.316 nan 4.350 nan 0.000 0.195 439 E C 1.385 177.733 176.600 -0.419 0.000 0.991 439 E CA 3.023 58.766 56.400 -1.095 0.000 0.810 439 E CB -0.134 28.853 29.700 -1.188 0.000 0.742 439 E HN -0.118 7.779 8.360 -1.318 -0.328 0.466 440 T N -6.586 107.772 114.554 -0.326 0.000 3.025 440 T HA -0.118 nan 4.350 nan 0.000 0.270 440 T C 1.275 175.910 174.700 -0.109 0.000 1.126 440 T CA 1.947 63.944 62.100 -0.172 0.000 1.105 440 T CB -0.749 68.037 68.868 -0.137 0.000 0.884 440 T HN 0.480 8.472 8.240 -0.385 0.018 0.522 441 S N 0.579 116.215 115.700 -0.107 0.000 2.754 441 S HA 0.113 nan 4.470 nan 0.000 0.247 441 S C -0.591 174.006 174.600 -0.005 0.000 1.031 441 S CA -0.303 57.869 58.200 -0.047 0.000 1.014 441 S CB 1.061 64.235 63.200 -0.043 0.000 0.918 441 S HN -0.389 7.775 8.310 -0.157 0.052 0.519 442 A N 0.887 123.712 122.820 0.008 0.000 2.676 442 A HA 0.389 nan 4.320 nan 0.000 0.258 442 A C -1.446 176.262 177.584 0.207 0.000 0.898 442 A CA 0.423 52.542 52.037 0.137 0.000 1.087 442 A CB 0.312 19.430 19.000 0.197 0.000 1.214 442 A HN -0.091 7.858 8.150 -0.049 0.171 0.474 443 S N -4.445 111.309 115.700 0.091 0.000 2.701 443 S HA 0.033 nan 4.470 nan 0.000 0.242 443 S C 0.201 174.821 174.600 0.033 0.000 1.025 443 S CA -0.418 57.824 58.200 0.069 0.000 1.016 443 S CB 0.452 63.665 63.200 0.022 0.000 0.977 443 S HN -0.160 8.176 8.310 0.044 0.000 0.546 444 S N 2.386 118.111 115.700 0.041 0.000 2.474 444 S HA 0.241 nan 4.470 nan 0.000 0.276 444 S C 0.162 174.781 174.600 0.031 0.000 1.227 444 S CA -0.007 58.209 58.200 0.027 0.000 1.050 444 S CB 0.476 63.691 63.200 0.026 0.000 0.939 444 S HN -0.129 8.164 8.310 0.058 0.053 0.490 445 V N 7.994 127.921 119.914 0.022 0.000 2.465 445 V HA 0.379 nan 4.120 nan 0.000 0.279 445 V C -1.037 175.080 176.094 0.038 0.000 1.045 445 V CA -2.718 59.599 62.300 0.029 0.000 0.938 445 V CB 0.191 32.032 31.823 0.029 0.000 0.986 445 V HN 0.381 8.579 8.190 0.014 0.000 0.467 446 P HA 0.175 nan 4.420 nan 0.000 0.269 446 P C -0.350 176.981 177.300 0.052 0.000 1.215 446 P CA -0.440 62.690 63.100 0.050 0.000 0.780 446 P CB 1.030 32.766 31.700 0.060 0.000 0.898 447 G N 0.183 109.010 108.800 0.046 0.000 2.448 447 G HA2 -0.101 nan 3.960 nan 0.000 0.219 447 G HA3 -0.101 nan 3.960 nan 0.000 0.219 447 G C -0.367 174.564 174.900 0.051 0.000 1.127 447 G CA 0.600 45.727 45.100 0.044 0.000 0.766 447 G HN 0.177 8.492 8.290 0.042 0.000 0.552 448 T N 1.181 115.769 114.554 0.057 0.000 2.991 448 T HA 0.166 nan 4.350 nan 0.000 0.303 448 T C -1.270 173.477 174.700 0.078 0.000 1.015 448 T CA -0.772 61.365 62.100 0.062 0.000 1.007 448 T CB 1.824 70.722 68.868 0.050 0.000 1.034 448 T HN -0.536 7.711 8.240 0.056 0.027 0.446 449 c N 4.755 123.411 118.600 0.093 0.000 2.463 449 c HA 0.242 nan 4.570 nan 0.000 0.380 449 c C -0.746 173.410 174.090 0.109 0.000 1.264 449 c CA -1.207 55.196 56.329 0.124 0.000 2.161 449 c CB 0.201 42.806 42.510 0.159 0.000 2.515 449 c HN 0.456 8.739 8.230 0.088 0.000 0.565 450 A N 3.897 126.799 122.820 0.137 0.000 2.371 450 A HA 0.340 nan 4.320 nan 0.000 0.311 450 A C -2.013 175.645 177.584 0.124 0.000 1.068 450 A CA -1.402 50.698 52.037 0.104 0.000 0.744 450 A CB 3.055 22.114 19.000 0.098 0.000 1.239 450 A HN 0.793 9.415 8.150 0.178 -0.365 0.435 451 A N 2.002 124.832 122.820 0.016 0.000 2.395 451 A HA 0.103 nan 4.320 nan 0.000 0.286 451 A C -0.762 176.766 177.584 -0.092 0.000 1.193 451 A CA 0.437 52.414 52.037 -0.099 0.000 0.852 451 A CB -0.215 18.694 19.000 -0.151 0.000 1.118 451 A HN 0.281 8.430 8.150 -0.002 0.000 0.524 452 T N 1.959 116.448 114.554 -0.107 0.000 2.671 452 T HA 0.297 nan 4.350 nan 0.000 0.300 452 T C -2.702 171.915 174.700 -0.139 0.000 1.238 452 T CA -1.043 61.030 62.100 -0.045 0.000 1.020 452 T CB 1.492 70.434 68.868 0.124 0.000 1.503 452 T HN 0.078 8.209 8.240 -0.182 0.000 0.497 453 S N -1.432 114.259 115.700 -0.015 0.000 2.636 453 S HA 0.422 nan 4.470 nan 0.000 0.268 453 S C -2.309 172.333 174.600 0.071 0.000 1.159 453 S CA -0.563 57.635 58.200 -0.002 0.000 0.815 453 S CB 3.169 66.240 63.200 -0.216 0.000 1.130 453 S HN -0.084 8.239 8.310 0.023 0.000 0.471 454 A N -1.400 121.466 122.820 0.077 0.000 2.517 454 A HA 0.290 nan 4.320 nan 0.000 0.297 454 A C -2.289 175.275 177.584 -0.034 0.000 1.050 454 A CA -0.561 51.520 52.037 0.073 0.000 0.694 454 A CB 2.341 21.459 19.000 0.197 0.000 1.277 454 A HN 0.001 8.199 8.150 0.080 0.000 0.400 455 S N 1.514 117.145 115.700 -0.115 0.000 2.480 455 S HA 0.273 nan 4.470 nan 0.000 0.286 455 S C -0.438 173.891 174.600 -0.452 0.000 1.180 455 S CA -0.716 57.327 58.200 -0.261 0.000 1.075 455 S CB 0.340 63.420 63.200 -0.199 0.000 0.996 455 S HN 0.028 8.296 8.310 -0.070 0.000 0.487 456 G N 3.691 111.944 108.800 -0.911 0.000 3.372 456 G HA2 0.277 nan 3.960 nan 0.000 0.178 456 G HA3 0.277 nan 3.960 nan 0.000 0.178 456 G C -1.730 172.456 174.900 -1.190 0.000 1.817 456 G CA 0.055 44.080 45.100 -1.792 0.000 0.996 456 G HN 0.127 7.931 8.290 -0.811 0.000 0.559 457 T N -0.176 113.627 114.554 -1.252 0.000 2.932 457 T HA 0.237 nan 4.350 nan 0.000 0.318 457 T C -1.972 172.299 174.700 -0.714 0.000 1.265 457 T CA -0.468 61.206 62.100 -0.709 0.000 1.036 457 T CB 2.004 70.642 68.868 -0.384 0.000 1.209 457 T HN -0.208 7.138 8.240 -1.490 0.000 0.484 458 Y N 1.665 121.880 120.300 -0.142 0.000 2.425 458 Y HA 0.292 nan 4.550 nan 0.000 0.344 458 Y C -1.396 174.464 175.900 -0.067 0.000 0.969 458 Y CA -1.079 56.968 58.100 -0.088 0.000 1.052 458 Y CB 2.826 41.253 38.460 -0.054 0.000 1.215 458 Y HN 0.087 8.329 8.280 -0.064 0.000 0.451 459 S N 2.512 118.269 115.700 0.095 0.000 2.563 459 S HA 0.165 nan 4.470 nan 0.000 0.279 459 S C -1.783 172.825 174.600 0.014 0.000 1.155 459 S CA 0.089 58.309 58.200 0.034 0.000 0.928 459 S CB 1.202 64.400 63.200 -0.003 0.000 1.107 459 S HN 0.184 8.856 8.310 0.104 -0.299 0.462 460 S N 5.189 120.892 115.700 0.004 0.000 2.533 460 S HA 0.121 nan 4.470 nan 0.000 0.282 460 S C -0.390 174.193 174.600 -0.028 0.000 1.304 460 S CA 0.155 58.346 58.200 -0.014 0.000 1.063 460 S CB 0.602 63.791 63.200 -0.019 0.000 0.881 460 S HN 0.019 8.333 8.310 0.007 0.000 0.493 461 V N 5.813 125.703 119.914 -0.040 0.000 2.472 461 V HA 0.117 nan 4.120 nan 0.000 0.290 461 V C -0.313 175.748 176.094 -0.055 0.000 1.037 461 V CA -0.506 61.764 62.300 -0.050 0.000 0.908 461 V CB 1.339 33.127 31.823 -0.057 0.000 0.985 461 V HN 0.098 8.264 8.190 -0.041 0.000 0.454 462 T N 6.652 121.172 114.554 -0.057 0.000 2.809 462 T HA 0.204 nan 4.350 nan 0.000 0.284 462 T C -0.689 173.962 174.700 -0.081 0.000 0.992 462 T CA -0.349 61.716 62.100 -0.059 0.000 0.957 462 T CB 0.835 69.676 68.868 -0.046 0.000 0.942 462 T HN 0.185 8.392 8.240 -0.055 0.000 0.439 463 V N 7.298 127.157 119.914 -0.091 0.000 2.322 463 V HA 0.181 nan 4.120 nan 0.000 0.258 463 V C 0.781 176.809 176.094 -0.111 0.000 1.074 463 V CA 0.046 62.258 62.300 -0.146 0.000 0.909 463 V CB -1.321 30.407 31.823 -0.160 0.000 1.090 463 V HN 0.563 8.709 8.190 -0.072 0.000 0.486 464 T N 8.206 122.697 114.554 -0.106 0.000 2.674 464 T HA -0.161 nan 4.350 nan 0.000 0.265 464 T C -0.445 174.226 174.700 -0.049 0.000 1.039 464 T CA 2.079 64.141 62.100 -0.063 0.000 1.150 464 T CB 0.333 69.171 68.868 -0.051 0.000 0.864 464 T HN 0.731 8.898 8.240 -0.122 0.000 0.427 465 S N -2.394 113.251 115.700 -0.091 0.000 2.578 465 S HA 0.117 nan 4.470 nan 0.000 0.272 465 S C -2.026 172.518 174.600 -0.093 0.000 1.145 465 S CA -0.557 57.630 58.200 -0.022 0.000 0.835 465 S CB 1.227 64.449 63.200 0.038 0.000 1.104 465 S HN -0.535 7.683 8.310 -0.154 0.000 0.458 466 W N 2.444 123.773 121.300 0.048 0.000 2.390 466 W HA 0.375 nan 4.660 nan 0.000 0.312 466 W C -1.458 175.093 176.519 0.054 0.000 1.123 466 W CA -1.815 55.564 57.345 0.057 0.000 1.202 466 W CB 0.493 29.984 29.460 0.051 0.000 1.251 466 W HN -0.075 8.304 8.180 0.331 0.000 0.511 467 P HA -0.026 nan 4.420 nan 0.000 0.270 467 P C -1.075 176.348 177.300 0.205 0.000 1.223 467 P CA -0.574 62.659 63.100 0.222 0.000 0.785 467 P CB 1.170 33.011 31.700 0.236 0.000 0.923 468 S N -0.113 115.687 115.700 0.168 0.000 3.024 468 S HA -0.077 nan 4.470 nan 0.000 0.316 468 S C -0.185 174.487 174.600 0.120 0.000 1.197 468 S CA 0.164 58.444 58.200 0.133 0.000 1.097 468 S CB -0.893 62.383 63.200 0.125 0.000 1.471 468 S HN 0.069 8.478 8.310 0.166 0.000 0.543 469 I N 6.173 126.749 120.570 0.010 0.000 2.371 469 I HA -0.087 nan 4.170 nan 0.000 0.290 469 I C -0.838 175.302 176.117 0.038 0.000 1.028 469 I CA -0.078 61.106 61.300 -0.193 0.000 1.345 469 I CB 0.671 38.469 38.000 -0.338 0.000 1.407 469 I HN -0.386 7.836 8.210 0.033 0.008 0.501 470 V N 9.654 129.690 119.914 0.203 0.000 2.357 470 V HA 0.234 nan 4.120 nan 0.000 0.284 470 V C -1.239 175.077 176.094 0.369 0.000 1.018 470 V CA -0.742 61.702 62.300 0.240 0.000 0.841 470 V CB 1.443 33.399 31.823 0.221 0.000 0.991 470 V HN 0.098 8.495 8.190 0.345 0.000 0.437 471 A N 8.965 131.984 122.820 0.331 0.000 2.273 471 A HA 0.587 nan 4.320 nan 0.000 0.315 471 A C -1.163 176.554 177.584 0.222 0.000 1.256 471 A CA -0.616 51.675 52.037 0.422 0.000 0.851 471 A CB 1.304 20.546 19.000 0.403 0.000 1.172 471 A HN 0.316 8.603 8.150 0.228 0.000 0.508 472 T N 0.000 114.677 114.554 0.206 0.000 3.816 472 T HA 0.000 nan 4.350 nan 0.000 0.228 472 T CA 0.000 62.163 62.100 0.104 0.000 1.349 472 T CB 0.000 68.925 68.868 0.095 0.000 0.612 472 T HN 0.000 8.409 8.240 0.282 0.000 0.658