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 2fiq_1_A DATA FIRST_RESID 2 DATA SEQUENCE KTLIARHKAG EHIGICSVCS AHPLVIEAAL AFDRNSTRKV LIEATSNQVN DATA SEQUENCE QFGGYTGXTP ADFREFVFAI ADKVGFARER IILGGDHLGP NCWQQENVDA DATA SEQUENCE AXEKSVELVK AYVRAGFSKI HLDASXSCAG DPIPLAPETV AERAAVLCFA DATA SEQUENCE AESVATDCQR EQLSYVIGTE VPVXXXXXXX XXXVHITHVE DAANTLRTHQ DATA SEQUENCE KAFIARGLTE ALTRVIAIVV QPGVEFDHSN IIHYQPQEAQ ALAQWIENTR DATA SEQUENCE XVYEAHSTDY QTRTAYWELV RDHFAILKVG PALTFALREA IFALAQIEQE DATA SEQUENCE LIAPENRSGC LAVIEEVXLD EPQYWKKYYR TGFNDSLLDI RYSLSDRIRY DATA SEQUENCE YWPHSRIKNS VETXXVNLQG VDIPLGXISQ YLPKQFERIQ SGELSAIPHQ DATA SEQUENCE LIXDKIYDVL RAYRYGCAE 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.594 176.600 -0.010 0.000 0.988 2 K CA 0.000 56.279 56.287 -0.014 0.000 0.838 2 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 3 T N 1.228 115.779 114.554 -0.005 0.000 2.777 3 T HA -0.063 4.287 4.350 -0.000 0.000 0.266 3 T C 1.908 176.610 174.700 0.004 0.000 1.040 3 T CA 1.082 63.181 62.100 -0.002 0.000 1.141 3 T CB -0.196 68.671 68.868 -0.002 0.000 0.868 3 T HN 0.171 nan 8.240 nan 0.000 0.444 4 L N 0.383 121.611 121.223 0.008 0.000 2.017 4 L HA 0.067 4.407 4.340 -0.000 0.000 0.208 4 L C 2.591 179.477 176.870 0.026 0.000 1.073 4 L CA 1.468 56.320 54.840 0.019 0.000 0.745 4 L CB -0.382 41.689 42.059 0.019 0.000 0.894 4 L HN 0.245 nan 8.230 nan 0.000 0.432 5 I N -0.026 120.546 120.570 0.003 0.000 2.226 5 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 5 I C 2.752 178.879 176.117 0.017 0.000 1.100 5 I CA 1.115 62.411 61.300 -0.006 0.000 1.374 5 I CB -0.594 37.377 38.000 -0.049 0.000 1.057 5 I HN 0.372 nan 8.210 nan 0.000 0.413 6 A N 0.931 123.751 122.820 -0.000 0.000 1.933 6 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 6 A C 2.370 179.955 177.584 0.002 0.000 1.175 6 A CA 1.573 53.606 52.037 -0.008 0.000 0.628 6 A CB -0.559 18.432 19.000 -0.014 0.000 0.814 6 A HN 0.326 nan 8.150 nan 0.000 0.444 7 R N -1.787 118.722 120.500 0.015 0.000 2.081 7 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 7 R C 2.235 178.541 176.300 0.011 0.000 1.131 7 R CA 1.624 57.730 56.100 0.011 0.000 0.960 7 R CB -0.561 29.749 30.300 0.017 0.000 0.856 7 R HN 0.827 nan 8.270 nan 0.000 0.436 8 H N 1.125 120.167 119.070 -0.048 0.000 2.319 8 H HA -0.076 4.480 4.556 -0.000 0.000 0.299 8 H C 1.577 176.865 175.328 -0.066 0.000 1.092 8 H CA 1.664 57.678 56.048 -0.058 0.000 1.302 8 H CB 0.279 29.999 29.762 -0.070 0.000 1.373 8 H HN -0.117 nan 8.280 nan 0.000 0.497 9 K N 0.241 120.669 120.400 0.046 0.000 2.209 9 K HA 0.013 4.333 4.320 -0.000 0.000 0.204 9 K C 2.005 178.554 176.600 -0.085 0.000 1.048 9 K CA 0.938 57.196 56.287 -0.049 0.000 0.940 9 K CB -0.340 32.123 32.500 -0.063 0.000 0.729 9 K HN 0.437 nan 8.250 nan 0.000 0.451 10 A N 0.098 122.879 122.820 -0.065 0.000 2.238 10 A HA 0.273 4.593 4.320 -0.000 0.000 0.208 10 A C 1.338 178.880 177.584 -0.070 0.000 1.177 10 A CA 1.054 53.055 52.037 -0.060 0.000 0.804 10 A CB -0.157 18.820 19.000 -0.039 0.000 0.823 10 A HN 0.376 nan 8.150 nan 0.000 0.482 11 G N -0.815 107.918 108.800 -0.112 0.000 2.168 11 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.197 11 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.197 11 G C -0.052 174.781 174.900 -0.112 0.000 0.997 11 G CA 0.172 45.204 45.100 -0.114 0.000 0.658 11 G HN 0.689 nan 8.290 nan 0.000 0.513 12 E N 0.312 120.445 120.200 -0.112 0.000 2.338 12 E HA 0.434 4.784 4.350 -0.000 0.000 0.272 12 E C 0.106 176.637 176.600 -0.116 0.000 1.029 12 E CA -0.766 55.598 56.400 -0.061 0.000 0.872 12 E CB 0.236 29.923 29.700 -0.021 0.000 1.015 12 E HN 0.413 nan 8.360 nan 0.000 0.417 13 H N 5.351 124.352 119.070 -0.114 0.000 3.157 13 H HA 0.314 4.870 4.556 -0.000 0.000 0.260 13 H C -0.764 174.542 175.328 -0.037 0.000 1.232 13 H CA 0.132 56.099 56.048 -0.134 0.000 1.488 13 H CB -0.086 29.594 29.762 -0.137 0.000 1.548 13 H HN 0.412 nan 8.280 nan 0.000 0.487 14 I N 4.634 125.136 120.570 -0.113 0.000 2.743 14 I HA 0.512 4.682 4.170 -0.000 0.000 0.292 14 I C -0.794 175.353 176.117 0.051 0.000 1.343 14 I CA -0.363 60.953 61.300 0.027 0.000 1.038 14 I CB 1.750 39.790 38.000 0.066 0.000 1.311 14 I HN 0.724 nan 8.210 nan 0.000 0.426 15 G N 6.238 115.050 108.800 0.019 0.000 2.949 15 G HA2 0.719 4.678 3.960 -0.000 0.000 0.285 15 G HA3 0.719 4.678 3.960 -0.000 0.000 0.285 15 G C -2.082 172.838 174.900 0.033 0.000 1.395 15 G CA -0.638 44.462 45.100 0.000 0.000 0.901 15 G HN 0.603 nan 8.290 nan 0.000 0.519 16 I N -0.550 120.035 120.570 0.025 0.000 2.582 16 I HA 0.466 4.635 4.170 -0.000 0.000 0.292 16 I C -0.636 175.500 176.117 0.031 0.000 1.066 16 I CA -0.853 60.468 61.300 0.034 0.000 1.053 16 I CB 1.780 39.792 38.000 0.020 0.000 1.241 16 I HN 0.631 nan 8.210 nan 0.000 0.421 17 C N 6.015 125.322 119.300 0.012 0.000 2.394 17 C HA 0.511 4.971 4.460 -0.000 0.000 0.362 17 C C 0.492 175.414 174.990 -0.114 0.000 1.268 17 C CA -0.170 58.795 59.018 -0.089 0.000 1.828 17 C CB -0.093 27.541 27.740 -0.177 0.000 2.442 17 C HN 0.750 nan 8.230 nan 0.000 0.549 18 S N 5.237 120.860 115.700 -0.128 0.000 2.410 18 S HA 0.461 4.931 4.470 -0.000 0.000 0.304 18 S C -0.458 174.060 174.600 -0.136 0.000 1.095 18 S CA -0.493 57.652 58.200 -0.091 0.000 1.089 18 S CB 0.459 63.625 63.200 -0.057 0.000 0.968 18 S HN 0.722 nan 8.310 nan 0.000 0.480 19 V N 6.295 126.147 119.914 -0.102 0.000 2.387 19 V HA 0.168 4.288 4.120 -0.000 0.000 0.260 19 V C 0.155 176.240 176.094 -0.015 0.000 1.054 19 V CA -0.539 61.702 62.300 -0.099 0.000 0.967 19 V CB -0.098 31.676 31.823 -0.081 0.000 1.036 19 V HN 1.019 nan 8.190 nan 0.000 0.481 20 C N 4.677 123.961 119.300 -0.027 0.000 2.478 20 C HA 0.558 5.017 4.460 -0.000 0.000 0.471 20 C C 0.885 175.907 174.990 0.054 0.000 1.146 20 C CA -0.277 58.757 59.018 0.026 0.000 1.532 20 C CB -1.398 26.345 27.740 0.005 0.000 1.622 20 C HN 0.826 nan 8.230 nan 0.000 0.568 21 S N 0.333 116.093 115.700 0.100 0.000 2.541 21 S HA 0.704 5.174 4.470 -0.000 0.000 0.280 21 S C 0.260 175.002 174.600 0.237 0.000 1.112 21 S CA 0.062 58.339 58.200 0.128 0.000 0.925 21 S CB 1.347 64.602 63.200 0.091 0.000 1.067 21 S HN 0.609 nan 8.310 nan 0.000 0.479 22 A N 2.735 125.698 122.820 0.240 0.000 2.348 22 A HA 0.264 4.584 4.320 -0.000 0.000 0.224 22 A C 0.534 178.307 177.584 0.315 0.000 1.227 22 A CA -0.018 52.221 52.037 0.336 0.000 0.885 22 A CB -0.298 18.810 19.000 0.179 0.000 0.933 22 A HN 0.864 nan 8.150 nan 0.000 0.506 23 H N 1.686 120.869 119.070 0.188 0.000 2.819 23 H HA 0.147 4.703 4.556 -0.000 0.000 0.303 23 H C -1.658 173.764 175.328 0.156 0.000 1.058 23 H CA -1.535 54.602 56.048 0.147 0.000 1.471 23 H CB 1.425 31.211 29.762 0.040 0.000 1.480 23 H HN 0.110 nan 8.280 nan 0.000 0.517 24 P HA -0.161 nan 4.420 nan 0.000 0.216 24 P C 1.796 179.168 177.300 0.119 0.000 1.150 24 P CA 0.865 64.036 63.100 0.118 0.000 0.837 24 P CB 0.469 32.222 31.700 0.088 0.000 0.786 25 L N -1.049 120.368 121.223 0.323 0.000 2.156 25 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 25 L C 2.593 179.471 176.870 0.014 0.000 1.095 25 L CA 1.077 55.997 54.840 0.134 0.000 0.770 25 L CB -0.792 41.294 42.059 0.044 0.000 0.914 25 L HN -0.136 nan 8.230 nan 0.000 0.439 26 V N 0.201 120.146 119.914 0.051 0.000 2.358 26 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 26 V C 2.302 178.384 176.094 -0.020 0.000 1.047 26 V CA 1.576 63.859 62.300 -0.028 0.000 1.035 26 V CB -0.183 31.633 31.823 -0.013 0.000 0.658 26 V HN 0.303 nan 8.190 nan 0.000 0.452 27 I N 0.058 120.629 120.570 0.002 0.000 2.252 27 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 27 I C 2.584 178.638 176.117 -0.105 0.000 1.102 27 I CA 1.804 63.063 61.300 -0.068 0.000 1.385 27 I CB -0.322 37.608 38.000 -0.118 0.000 1.064 27 I HN 0.422 nan 8.210 nan 0.000 0.414 28 E N 1.505 121.661 120.200 -0.073 0.000 2.058 28 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 28 E C 2.289 178.894 176.600 0.008 0.000 0.997 28 E CA 1.509 57.884 56.400 -0.042 0.000 0.801 28 E CB -0.060 29.645 29.700 0.010 0.000 0.746 28 E HN 0.466 nan 8.360 nan 0.000 0.450 29 A N 1.191 124.018 122.820 0.012 0.000 1.902 29 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 29 A C 2.414 180.110 177.584 0.186 0.000 1.181 29 A CA 1.891 54.004 52.037 0.126 0.000 0.623 29 A CB -0.829 18.155 19.000 -0.026 0.000 0.818 29 A HN 0.442 nan 8.150 nan 0.000 0.443 30 A N -0.372 122.460 122.820 0.021 0.000 1.933 30 A HA -0.030 4.290 4.320 -0.000 0.000 0.218 30 A C 2.168 179.709 177.584 -0.072 0.000 1.175 30 A CA 1.571 53.593 52.037 -0.026 0.000 0.628 30 A CB -0.511 18.431 19.000 -0.096 0.000 0.814 30 A HN 0.487 nan 8.150 nan 0.000 0.444 31 L N -1.215 119.886 121.223 -0.203 0.000 2.068 31 L HA -0.041 4.299 4.340 -0.000 0.000 0.204 31 L C 3.086 179.864 176.870 -0.153 0.000 1.076 31 L CA 0.832 55.356 54.840 -0.526 0.000 0.753 31 L CB -0.643 41.056 42.059 -0.600 0.000 0.910 31 L HN 0.381 nan 8.230 nan 0.000 0.439 32 A N 0.216 123.062 122.820 0.043 0.000 1.908 32 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 32 A C 2.205 179.859 177.584 0.117 0.000 1.181 32 A CA 1.725 53.857 52.037 0.158 0.000 0.627 32 A CB -0.962 18.194 19.000 0.260 0.000 0.818 32 A HN 0.409 nan 8.150 nan 0.000 0.445 33 F N 0.677 120.586 119.950 -0.068 0.000 2.202 33 F HA -0.156 4.371 4.527 -0.000 0.000 0.301 33 F C 1.156 176.880 175.800 -0.128 0.000 1.082 33 F CA 2.029 59.847 58.000 -0.303 0.000 1.313 33 F CB 0.091 38.950 39.000 -0.234 0.000 1.024 33 F HN 0.229 nan 8.300 nan 0.000 0.495 34 D N -0.664 119.767 120.400 0.051 0.000 2.363 34 D HA 0.030 4.669 4.640 -0.000 0.000 0.214 34 D C 2.085 178.512 176.300 0.212 0.000 1.093 34 D CA -0.033 54.019 54.000 0.088 0.000 0.837 34 D CB -0.070 40.886 40.800 0.260 0.000 0.948 34 D HN 0.297 nan 8.370 nan 0.000 0.507 35 R N 1.035 121.658 120.500 0.206 0.000 2.113 35 R HA -0.131 4.209 4.340 -0.000 0.000 0.244 35 R C 0.707 177.018 176.300 0.017 0.000 1.142 35 R CA 1.270 57.496 56.100 0.211 0.000 0.953 35 R CB 0.151 30.539 30.300 0.146 0.000 0.860 35 R HN 0.049 nan 8.270 nan 0.000 0.438 36 N N 0.248 118.927 118.700 -0.036 0.000 2.235 36 N HA 0.002 4.741 4.740 -0.000 0.000 0.209 36 N C -0.048 175.412 175.510 -0.082 0.000 1.122 36 N CA 0.351 53.360 53.050 -0.069 0.000 0.845 36 N CB 0.985 39.430 38.487 -0.071 0.000 1.004 36 N HN 0.250 nan 8.380 nan 0.000 0.499 37 S N -0.241 115.413 115.700 -0.077 0.000 2.690 37 S HA 0.316 4.786 4.470 -0.000 0.000 0.285 37 S C 1.222 175.783 174.600 -0.065 0.000 1.135 37 S CA -0.272 57.887 58.200 -0.068 0.000 1.020 37 S CB 1.013 64.177 63.200 -0.061 0.000 1.159 37 S HN 0.174 nan 8.310 nan 0.000 0.534 38 T N -2.306 112.221 114.554 -0.046 0.000 3.092 38 T HA 0.339 4.689 4.350 -0.000 0.000 0.258 38 T C 0.293 174.980 174.700 -0.021 0.000 1.031 38 T CA -0.567 61.502 62.100 -0.052 0.000 0.925 38 T CB -0.337 68.504 68.868 -0.045 0.000 1.036 38 T HN 0.548 nan 8.240 nan 0.000 0.544 39 R N 1.470 121.982 120.500 0.019 0.000 2.543 39 R HA 0.509 4.849 4.340 -0.000 0.000 0.277 39 R C -0.270 176.095 176.300 0.109 0.000 1.074 39 R CA -0.699 55.438 56.100 0.062 0.000 1.076 39 R CB 0.384 30.736 30.300 0.088 0.000 0.993 39 R HN -0.001 nan 8.270 nan 0.000 0.459 40 K N 1.038 121.500 120.400 0.103 0.000 2.326 40 K HA 0.173 4.493 4.320 -0.000 0.000 0.275 40 K C -0.709 175.997 176.600 0.177 0.000 1.018 40 K CA -0.044 56.329 56.287 0.144 0.000 0.962 40 K CB 1.062 33.614 32.500 0.085 0.000 0.953 40 K HN 0.244 nan 8.250 nan 0.000 0.475 41 V N 4.398 124.448 119.914 0.227 0.000 2.398 41 V HA 0.327 4.447 4.120 -0.000 0.000 0.286 41 V C -0.928 175.202 176.094 0.059 0.000 1.026 41 V CA -0.998 61.364 62.300 0.103 0.000 0.868 41 V CB 1.420 33.221 31.823 -0.037 0.000 0.982 41 V HN 0.494 nan 8.190 nan 0.000 0.443 42 L N 7.480 128.721 121.223 0.029 0.000 2.280 42 L HA 0.663 5.003 4.340 -0.000 0.000 0.287 42 L C -0.657 176.226 176.870 0.023 0.000 1.023 42 L CA 0.280 55.138 54.840 0.030 0.000 0.819 42 L CB 0.888 42.962 42.059 0.025 0.000 1.212 42 L HN 0.538 nan 8.230 nan 0.000 0.420 43 I N 4.819 125.425 120.570 0.060 0.000 2.436 43 I HA 0.448 4.618 4.170 -0.000 0.000 0.289 43 I C -0.458 175.793 176.117 0.223 0.000 1.010 43 I CA -0.389 60.985 61.300 0.123 0.000 1.098 43 I CB 1.721 39.797 38.000 0.125 0.000 1.266 43 I HN 0.563 nan 8.210 nan 0.000 0.434 44 E N 4.888 125.214 120.200 0.209 0.000 2.266 44 E HA 0.760 5.110 4.350 -0.000 0.000 0.268 44 E C -1.065 175.598 176.600 0.106 0.000 0.879 44 E CA -1.026 55.496 56.400 0.204 0.000 0.762 44 E CB 2.759 32.529 29.700 0.118 0.000 1.199 44 E HN 0.614 nan 8.360 nan 0.000 0.422 45 A N 1.416 124.248 122.820 0.020 0.000 2.320 45 A HA 0.627 4.947 4.320 -0.000 0.000 0.334 45 A C 0.048 177.599 177.584 -0.054 0.000 1.147 45 A CA -0.619 51.290 52.037 -0.214 0.000 0.820 45 A CB 1.138 19.743 19.000 -0.658 0.000 1.218 45 A HN 0.605 nan 8.150 nan 0.000 0.482 46 T N -1.196 113.320 114.554 -0.064 0.000 2.934 46 T HA 0.410 4.760 4.350 -0.000 0.000 0.283 46 T C 1.268 175.930 174.700 -0.063 0.000 1.005 46 T CA 0.157 62.243 62.100 -0.024 0.000 1.041 46 T CB 1.156 70.053 68.868 0.049 0.000 1.042 46 T HN 1.277 nan 8.240 nan 0.000 0.505 47 S N 1.487 117.134 115.700 -0.088 0.000 2.442 47 S HA -0.179 4.291 4.470 -0.000 0.000 0.236 47 S C 1.482 176.012 174.600 -0.117 0.000 1.007 47 S CA 0.819 58.959 58.200 -0.101 0.000 0.965 47 S CB -0.818 62.283 63.200 -0.166 0.000 0.773 47 S HN 0.771 nan 8.310 nan 0.000 0.504 48 N N 1.711 120.358 118.700 -0.088 0.000 2.171 48 N HA -0.074 4.666 4.740 -0.000 0.000 0.184 48 N C 2.023 177.390 175.510 -0.239 0.000 1.021 48 N CA 1.292 54.332 53.050 -0.015 0.000 0.854 48 N CB -0.305 38.304 38.487 0.202 0.000 0.994 48 N HN 0.574 nan 8.380 nan 0.000 0.426 49 Q N 0.609 120.164 119.800 -0.408 0.000 2.020 49 Q HA -0.038 4.302 4.340 -0.000 0.000 0.202 49 Q C 0.808 176.488 176.000 -0.534 0.000 0.982 49 Q CA 1.023 56.322 55.803 -0.841 0.000 0.838 49 Q CB 0.178 28.639 28.738 -0.462 0.000 0.899 49 Q HN 0.238 nan 8.270 nan 0.000 0.423 50 V N 0.444 120.175 119.914 -0.305 0.000 2.623 50 V HA 0.581 4.700 4.120 -0.000 0.000 0.304 50 V C -1.495 174.557 176.094 -0.071 0.000 1.054 50 V CA -0.679 61.488 62.300 -0.222 0.000 0.882 50 V CB 1.678 33.312 31.823 -0.314 0.000 1.002 50 V HN 0.548 nan 8.190 nan 0.000 0.424 51 N N 3.484 122.161 118.700 -0.040 0.000 3.344 51 N HA 0.322 5.062 4.740 -0.000 0.000 0.296 51 N C 0.641 176.112 175.510 -0.066 0.000 1.571 51 N CA -0.238 52.841 53.050 0.049 0.000 0.844 51 N CB 0.576 39.189 38.487 0.209 0.000 1.718 51 N HN 0.550 nan 8.380 nan 0.000 0.589 52 Q N -0.560 119.132 119.800 -0.180 0.000 2.364 52 Q HA -0.053 4.287 4.340 -0.000 0.000 0.209 52 Q C -0.056 175.693 176.000 -0.419 0.000 0.977 52 Q CA 1.596 57.168 55.803 -0.385 0.000 0.885 52 Q CB -0.537 27.863 28.738 -0.563 0.000 0.941 52 Q HN 0.668 nan 8.270 nan 0.000 0.464 53 F N -0.006 120.001 119.950 0.094 0.000 2.695 53 F HA 0.456 4.983 4.527 -0.000 0.000 0.303 53 F C 1.535 177.364 175.800 0.048 0.000 1.091 53 F CA 0.206 58.253 58.000 0.079 0.000 1.300 53 F CB 0.651 39.729 39.000 0.130 0.000 1.071 53 F HN 0.244 nan 8.300 nan 0.000 0.578 54 G N -0.371 108.504 108.800 0.126 0.000 2.176 54 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.232 54 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.232 54 G C 1.120 176.028 174.900 0.014 0.000 0.986 54 G CA -0.040 45.090 45.100 0.049 0.000 0.643 54 G HN 0.918 nan 8.290 nan 0.000 0.522 55 G N 0.369 109.207 108.800 0.063 0.000 2.672 55 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.324 55 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.324 55 G C 0.804 175.732 174.900 0.047 0.000 1.286 55 G CA 2.303 47.400 45.100 -0.004 0.000 1.004 55 G HN 2.041 nan 8.290 nan 0.000 0.548 56 Y N -0.910 119.404 120.300 0.024 0.000 2.481 56 Y HA 0.486 5.036 4.550 -0.000 0.000 0.247 56 Y C 2.410 178.305 175.900 -0.009 0.000 1.151 56 Y CA 0.917 59.028 58.100 0.018 0.000 1.238 56 Y CB -0.633 37.836 38.460 0.015 0.000 1.179 56 Y HN 0.644 nan 8.280 nan 0.000 0.524 57 T N -2.248 112.193 114.554 -0.188 0.000 3.107 57 T HA 0.517 4.867 4.350 -0.000 0.000 0.249 57 T C 1.189 175.840 174.700 -0.082 0.000 1.096 57 T CA 0.272 62.297 62.100 -0.125 0.000 1.012 57 T CB -0.581 68.142 68.868 -0.241 0.000 0.977 57 T HN 0.853 nan 8.240 nan 0.000 0.527 61 P HA -0.042 nan 4.420 nan 0.000 0.215 61 P C 1.810 179.139 177.300 0.049 0.000 1.157 61 P CA 2.229 65.089 63.100 -0.402 0.000 0.874 61 P CB -0.366 30.792 31.700 -0.904 0.000 0.790 62 A N -0.142 122.677 122.820 -0.001 0.000 1.908 62 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 62 A C 2.027 179.632 177.584 0.036 0.000 1.181 62 A CA 2.255 54.313 52.037 0.036 0.000 0.627 62 A CB -1.478 17.527 19.000 0.009 0.000 0.818 62 A HN 0.117 nan 8.150 nan 0.000 0.445 63 D N -1.177 119.245 120.400 0.037 0.000 2.097 63 D HA -0.138 4.502 4.640 -0.000 0.000 0.195 63 D C 1.643 178.000 176.300 0.096 0.000 0.989 63 D CA 1.301 55.329 54.000 0.046 0.000 0.827 63 D CB -0.518 40.295 40.800 0.021 0.000 0.966 63 D HN 0.457 nan 8.370 nan 0.000 0.456 64 F N 1.945 121.888 119.950 -0.012 0.000 2.126 64 F HA -0.169 4.358 4.527 -0.000 0.000 0.299 64 F C 2.381 178.210 175.800 0.048 0.000 1.096 64 F CA 1.365 59.405 58.000 0.066 0.000 1.255 64 F CB -0.045 39.014 39.000 0.099 0.000 0.997 64 F HN -0.201 nan 8.300 nan 0.000 0.479 65 R N 0.452 120.927 120.500 -0.042 0.000 2.080 65 R HA -0.176 4.164 4.340 -0.000 0.000 0.236 65 R C 2.045 177.945 176.300 -0.666 0.000 1.137 65 R CA 1.967 57.755 56.100 -0.519 0.000 0.943 65 R CB -0.456 29.556 30.300 -0.481 0.000 0.846 65 R HN 0.263 nan 8.270 nan 0.000 0.431 66 E N 0.000 120.032 120.200 -0.280 0.000 2.150 66 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 66 E C 1.674 178.254 176.600 -0.032 0.000 0.985 66 E CA 0.756 57.098 56.400 -0.096 0.000 0.814 66 E CB -0.429 29.279 29.700 0.014 0.000 0.752 66 E HN 0.348 nan 8.360 nan 0.000 0.466 67 F N 1.590 121.410 119.950 -0.216 0.000 2.102 67 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 67 F C 2.159 177.800 175.800 -0.264 0.000 1.105 67 F CA 1.158 59.028 58.000 -0.216 0.000 1.239 67 F CB -0.354 38.496 39.000 -0.251 0.000 0.991 67 F HN -0.208 nan 8.300 nan 0.000 0.474 68 V N 0.045 119.639 119.914 -0.533 0.000 2.358 68 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 68 V C 2.396 178.385 176.094 -0.175 0.000 1.047 68 V CA 1.650 63.628 62.300 -0.536 0.000 1.035 68 V CB -0.923 30.572 31.823 -0.548 0.000 0.658 68 V HN 0.279 nan 8.190 nan 0.000 0.452 69 F N 0.965 120.780 119.950 -0.225 0.000 2.161 69 F HA -0.145 4.382 4.527 -0.000 0.000 0.300 69 F C 2.460 178.187 175.800 -0.123 0.000 1.089 69 F CA 1.039 58.959 58.000 -0.133 0.000 1.282 69 F CB -1.470 37.480 39.000 -0.084 0.000 1.010 69 F HN 0.158 nan 8.300 nan 0.000 0.485 70 A N 0.209 123.059 122.820 0.050 0.000 1.898 70 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 70 A C 2.340 179.877 177.584 -0.078 0.000 1.181 70 A CA 1.353 53.379 52.037 -0.017 0.000 0.620 70 A CB -1.018 17.964 19.000 -0.030 0.000 0.819 70 A HN 0.331 nan 8.150 nan 0.000 0.442 71 I N -0.182 120.279 120.570 -0.180 0.000 2.226 71 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 71 I C 2.952 179.015 176.117 -0.090 0.000 1.100 71 I CA 1.007 62.197 61.300 -0.185 0.000 1.374 71 I CB -0.294 37.509 38.000 -0.328 0.000 1.057 71 I HN 0.357 nan 8.210 nan 0.000 0.413 72 A N 0.665 123.454 122.820 -0.051 0.000 1.877 72 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 72 A C 1.944 179.559 177.584 0.051 0.000 1.186 72 A CA 2.107 54.163 52.037 0.032 0.000 0.620 72 A CB -0.652 18.412 19.000 0.108 0.000 0.822 72 A HN 0.342 nan 8.150 nan 0.000 0.443 73 D N -0.387 120.020 120.400 0.012 0.000 2.133 73 D HA -0.167 4.473 4.640 -0.000 0.000 0.195 73 D C 1.858 178.160 176.300 0.003 0.000 0.997 73 D CA 1.774 55.772 54.000 -0.003 0.000 0.840 73 D CB -0.200 40.591 40.800 -0.015 0.000 0.947 73 D HN 0.409 nan 8.370 nan 0.000 0.452 74 K N 0.510 120.908 120.400 -0.004 0.000 2.217 74 K HA -0.004 4.316 4.320 -0.000 0.000 0.202 74 K C 1.680 178.290 176.600 0.016 0.000 1.051 74 K CA 0.454 56.738 56.287 -0.004 0.000 0.952 74 K CB -0.140 32.348 32.500 -0.021 0.000 0.736 74 K HN -0.006 nan 8.250 nan 0.000 0.453 75 V N -0.846 119.089 119.914 0.035 0.000 2.725 75 V HA 0.141 4.261 4.120 -0.000 0.000 0.247 75 V C 1.138 177.283 176.094 0.085 0.000 1.058 75 V CA 1.103 63.444 62.300 0.069 0.000 1.080 75 V CB -0.107 31.762 31.823 0.078 0.000 0.713 75 V HN 0.567 nan 8.190 nan 0.000 0.465 76 G N 0.081 108.928 108.800 0.078 0.000 2.164 76 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.212 76 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.212 76 G C -0.201 174.749 174.900 0.083 0.000 1.031 76 G CA -0.040 45.093 45.100 0.055 0.000 0.730 76 G HN 0.368 nan 8.290 nan 0.000 0.501 77 F N 2.049 121.975 119.950 -0.042 0.000 2.388 77 F HA 0.694 5.221 4.527 -0.000 0.000 0.358 77 F C 0.676 176.433 175.800 -0.072 0.000 1.122 77 F CA -0.403 57.570 58.000 -0.045 0.000 1.056 77 F CB 1.072 40.056 39.000 -0.028 0.000 1.155 77 F HN 0.506 nan 8.300 nan 0.000 0.461 78 A N 6.775 129.410 122.820 -0.308 0.000 2.548 78 A HA 0.106 4.426 4.320 -0.000 0.000 0.247 78 A C 1.396 178.896 177.584 -0.140 0.000 1.067 78 A CA -0.112 51.786 52.037 -0.231 0.000 0.757 78 A CB 0.121 18.956 19.000 -0.277 0.000 0.996 78 A HN 1.032 nan 8.150 nan 0.000 0.504 79 R N 1.377 121.772 120.500 -0.174 0.000 2.127 79 R HA -0.166 4.174 4.340 -0.000 0.000 0.238 79 R C 1.692 177.908 176.300 -0.140 0.000 1.134 79 R CA 1.616 57.546 56.100 -0.283 0.000 0.975 79 R CB -0.061 29.776 30.300 -0.771 0.000 0.865 79 R HN 0.957 nan 8.270 nan 0.000 0.447 80 E N 1.095 121.216 120.200 -0.132 0.000 2.274 80 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 80 E C 1.253 177.839 176.600 -0.023 0.000 0.996 80 E CA 0.896 57.254 56.400 -0.069 0.000 0.840 80 E CB -0.157 29.491 29.700 -0.087 0.000 0.772 80 E HN 0.350 nan 8.360 nan 0.000 0.491 81 R N 0.746 121.220 120.500 -0.042 0.000 2.323 81 R HA 0.272 4.612 4.340 -0.000 0.000 0.198 81 R C 0.470 176.922 176.300 0.254 0.000 0.988 81 R CA 0.130 56.236 56.100 0.010 0.000 1.041 81 R CB -0.052 30.066 30.300 -0.302 0.000 0.926 81 R HN 0.184 nan 8.270 nan 0.000 0.476 82 I N 1.619 122.336 120.570 0.244 0.000 2.336 82 I HA 0.244 4.414 4.170 -0.000 0.000 0.292 82 I C -0.065 176.131 176.117 0.132 0.000 0.991 82 I CA -0.649 60.791 61.300 0.234 0.000 1.227 82 I CB 1.542 39.702 38.000 0.267 0.000 1.366 82 I HN -0.127 nan 8.210 nan 0.000 0.466 83 I N 7.149 127.773 120.570 0.091 0.000 2.336 83 I HA 0.341 4.511 4.170 -0.000 0.000 0.292 83 I C -0.379 175.750 176.117 0.019 0.000 0.991 83 I CA -0.443 60.888 61.300 0.051 0.000 1.227 83 I CB 1.132 39.162 38.000 0.051 0.000 1.366 83 I HN 0.330 nan 8.210 nan 0.000 0.466 84 L N 5.852 127.043 121.223 -0.053 0.000 2.309 84 L HA 0.748 5.088 4.340 -0.000 0.000 0.282 84 L C 0.439 177.365 176.870 0.094 0.000 1.036 84 L CA -0.392 54.356 54.840 -0.152 0.000 0.806 84 L CB 1.601 43.207 42.059 -0.755 0.000 1.220 84 L HN 0.680 nan 8.230 nan 0.000 0.429 85 G N 0.821 109.816 108.800 0.324 0.000 2.519 85 G HA2 0.631 4.591 3.960 -0.000 0.000 0.307 85 G HA3 0.631 4.591 3.960 -0.000 0.000 0.307 85 G C -0.950 174.256 174.900 0.511 0.000 1.266 85 G CA -0.652 44.689 45.100 0.403 0.000 0.970 85 G HN 0.695 nan 8.290 nan 0.000 0.481 86 G N -0.106 108.858 108.800 0.273 0.000 2.368 86 G HA2 0.488 4.448 3.960 -0.000 0.000 0.320 86 G HA3 0.488 4.448 3.960 -0.000 0.000 0.320 86 G C -1.336 173.530 174.900 -0.056 0.000 1.158 86 G CA -0.321 44.710 45.100 -0.116 0.000 0.912 86 G HN 0.552 nan 8.290 nan 0.000 0.456 87 D N 0.310 120.680 120.400 -0.050 0.000 2.217 87 D HA 0.315 4.955 4.640 -0.000 0.000 0.243 87 D C 0.614 176.956 176.300 0.070 0.000 1.054 87 D CA -0.297 53.750 54.000 0.079 0.000 0.838 87 D CB 0.379 41.237 40.800 0.097 0.000 1.162 87 D HN 0.536 nan 8.370 nan 0.000 0.472 88 H N 2.296 121.392 119.070 0.043 0.000 2.626 88 H HA -0.178 4.378 4.556 -0.000 0.000 0.317 88 H C -0.554 174.626 175.328 -0.246 0.000 1.140 88 H CA 0.134 56.038 56.048 -0.240 0.000 1.134 88 H CB -1.038 28.718 29.762 -0.009 0.000 1.486 88 H HN 0.301 nan 8.280 nan 0.000 0.417 89 L N 0.467 121.557 121.223 -0.222 0.000 2.367 89 L HA 0.478 4.818 4.340 -0.000 0.000 0.275 89 L C 1.306 178.132 176.870 -0.073 0.000 1.129 89 L CA 1.712 56.447 54.840 -0.174 0.000 0.839 89 L CB 1.464 43.377 42.059 -0.243 0.000 1.133 89 L HN 0.652 nan 8.230 nan 0.000 0.453 90 G N 3.490 112.304 108.800 0.024 0.000 2.352 90 G HA2 0.126 4.086 3.960 -0.000 0.000 0.283 90 G HA3 0.126 4.086 3.960 -0.000 0.000 0.283 90 G C -2.705 172.312 174.900 0.196 0.000 1.308 90 G CA -0.365 44.789 45.100 0.091 0.000 0.892 90 G HN 0.309 nan 8.290 nan 0.000 0.504 91 P HA 0.049 nan 4.420 nan 0.000 0.258 91 P C 1.026 178.402 177.300 0.126 0.000 1.319 91 P CA 0.222 63.518 63.100 0.326 0.000 0.785 91 P CB -0.083 31.753 31.700 0.227 0.000 1.252 92 N N 2.036 120.714 118.700 -0.037 0.000 2.036 92 N HA -0.214 4.526 4.740 -0.000 0.000 0.199 92 N C 1.305 176.687 175.510 -0.213 0.000 1.036 92 N CA 2.418 55.395 53.050 -0.122 0.000 0.870 92 N CB -0.921 37.484 38.487 -0.136 0.000 1.055 92 N HN 0.277 nan 8.380 nan 0.000 0.436 93 C N -2.146 116.861 119.300 -0.489 0.000 2.673 93 C HA 0.410 4.870 4.460 -0.000 0.000 0.274 93 C C 0.870 175.526 174.990 -0.557 0.000 1.276 93 C CA -1.110 57.592 59.018 -0.527 0.000 1.701 93 C CB -1.644 25.750 27.740 -0.577 0.000 1.836 93 C HN 0.441 nan 8.230 nan 0.000 0.596 94 W N 0.754 122.079 121.300 0.040 0.000 2.771 94 W HA 0.291 4.951 4.660 -0.000 0.000 0.412 94 W C 1.743 178.271 176.519 0.015 0.000 0.965 94 W CA -0.628 56.735 57.345 0.029 0.000 2.045 94 W CB -0.921 28.568 29.460 0.048 0.000 1.176 94 W HN 0.488 nan 8.180 nan 0.000 0.634 95 Q N 0.866 120.734 119.800 0.114 0.000 2.197 95 Q HA -0.230 4.109 4.340 -0.000 0.000 0.207 95 Q C 2.003 178.040 176.000 0.062 0.000 0.984 95 Q CA 1.675 57.520 55.803 0.070 0.000 0.869 95 Q CB 0.333 29.078 28.738 0.012 0.000 0.906 95 Q HN 0.126 nan 8.270 nan 0.000 0.426 96 Q N 0.231 120.066 119.800 0.060 0.000 2.378 96 Q HA 0.010 4.350 4.340 -0.000 0.000 0.205 96 Q C -0.037 175.993 176.000 0.050 0.000 0.954 96 Q CA 0.703 56.530 55.803 0.040 0.000 0.901 96 Q CB 0.119 28.872 28.738 0.025 0.000 0.981 96 Q HN 0.499 nan 8.270 nan 0.000 0.483 97 E N 1.857 122.107 120.200 0.083 0.000 2.312 97 E HA 0.138 4.488 4.350 -0.000 0.000 0.259 97 E C -0.134 176.498 176.600 0.054 0.000 1.122 97 E CA -0.641 55.800 56.400 0.069 0.000 0.922 97 E CB 0.427 30.183 29.700 0.093 0.000 1.109 97 E HN 0.216 nan 8.360 nan 0.000 0.442 98 N N -0.887 117.832 118.700 0.032 0.000 2.399 98 N HA -0.057 4.683 4.740 -0.000 0.000 0.250 98 N C 0.760 176.286 175.510 0.027 0.000 1.272 98 N CA -0.390 52.673 53.050 0.022 0.000 0.928 98 N CB 0.367 38.859 38.487 0.008 0.000 1.158 98 N HN 0.192 nan 8.380 nan 0.000 0.463 99 V N 0.109 120.035 119.914 0.020 0.000 2.250 99 V HA -0.325 3.794 4.120 -0.000 0.000 0.250 99 V C 1.536 177.637 176.094 0.011 0.000 1.060 99 V CA 2.331 64.643 62.300 0.020 0.000 1.030 99 V CB -0.810 31.019 31.823 0.009 0.000 0.643 99 V HN 0.695 nan 8.190 nan 0.000 0.445 100 D N 0.225 120.623 120.400 -0.003 0.000 2.104 100 D HA -0.155 4.485 4.640 -0.000 0.000 0.194 100 D C 2.181 178.464 176.300 -0.028 0.000 0.994 100 D CA 1.897 55.887 54.000 -0.016 0.000 0.830 100 D CB -0.440 40.349 40.800 -0.019 0.000 0.959 100 D HN 0.478 nan 8.370 nan 0.000 0.452 101 A N 0.872 123.677 122.820 -0.026 0.000 1.897 101 A HA 0.249 4.569 4.320 -0.000 0.000 0.215 101 A C 1.562 179.099 177.584 -0.078 0.000 1.181 101 A CA 1.202 53.207 52.037 -0.053 0.000 0.620 101 A CB -0.662 18.316 19.000 -0.037 0.000 0.821 101 A HN 0.272 nan 8.150 nan 0.000 0.443 105 K N 0.754 120.935 120.400 -0.364 0.000 2.057 105 K HA 0.043 4.363 4.320 -0.000 0.000 0.206 105 K C 1.981 178.266 176.600 -0.525 0.000 1.050 105 K CA 1.559 57.430 56.287 -0.693 0.000 0.935 105 K CB -0.021 31.530 32.500 -1.581 0.000 0.715 105 K HN -0.029 nan 8.250 nan 0.000 0.439 106 S N 1.047 116.620 115.700 -0.212 0.000 2.370 106 S HA -0.121 4.348 4.470 -0.000 0.000 0.226 106 S C 2.158 176.787 174.600 0.048 0.000 1.033 106 S CA 1.131 59.407 58.200 0.127 0.000 1.011 106 S CB -0.288 63.026 63.200 0.189 0.000 0.852 106 S HN 0.035 nan 8.310 nan 0.000 0.457 107 V N 2.201 122.110 119.914 -0.010 0.000 2.295 107 V HA -0.146 3.973 4.120 -0.000 0.000 0.246 107 V C 2.536 178.624 176.094 -0.009 0.000 1.049 107 V CA 1.622 63.922 62.300 -0.000 0.000 1.024 107 V CB -0.534 31.284 31.823 -0.008 0.000 0.648 107 V HN 0.400 nan 8.190 nan 0.000 0.447 108 E N -0.288 119.877 120.200 -0.059 0.000 2.150 108 E HA -0.169 4.180 4.350 -0.000 0.000 0.193 108 E C 2.051 178.626 176.600 -0.042 0.000 0.985 108 E CA 0.933 57.290 56.400 -0.072 0.000 0.814 108 E CB -0.420 29.198 29.700 -0.137 0.000 0.752 108 E HN 0.526 nan 8.360 nan 0.000 0.466 109 L N 0.731 121.955 121.223 0.002 0.000 1.970 109 L HA -0.170 4.169 4.340 -0.000 0.000 0.212 109 L C 2.291 179.248 176.870 0.145 0.000 1.071 109 L CA 1.499 56.414 54.840 0.126 0.000 0.751 109 L CB -0.647 41.584 42.059 0.286 0.000 0.889 109 L HN -0.105 nan 8.230 nan 0.000 0.432 110 V N -0.046 119.920 119.914 0.087 0.000 2.392 110 V HA -0.323 3.797 4.120 -0.000 0.000 0.249 110 V C 2.646 178.804 176.094 0.106 0.000 1.059 110 V CA 2.284 64.632 62.300 0.081 0.000 1.051 110 V CB -0.801 31.064 31.823 0.069 0.000 0.658 110 V HN 0.491 nan 8.190 nan 0.000 0.455 111 K N 0.122 120.564 120.400 0.070 0.000 2.025 111 K HA -0.086 4.234 4.320 -0.000 0.000 0.207 111 K C 2.372 179.001 176.600 0.049 0.000 1.049 111 K CA 1.371 57.690 56.287 0.053 0.000 0.933 111 K CB -0.461 32.053 32.500 0.022 0.000 0.714 111 K HN 0.460 nan 8.250 nan 0.000 0.438 112 A N 0.883 123.719 122.820 0.027 0.000 1.892 112 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 112 A C 1.991 179.542 177.584 -0.054 0.000 1.188 112 A CA 1.520 53.540 52.037 -0.029 0.000 0.631 112 A CB -0.913 18.038 19.000 -0.081 0.000 0.822 112 A HN 0.285 nan 8.150 nan 0.000 0.447 113 Y N -0.315 119.889 120.300 -0.161 0.000 2.181 113 Y HA -0.172 4.378 4.550 -0.000 0.000 0.288 113 Y C 2.677 178.585 175.900 0.013 0.000 1.146 113 Y CA 1.697 59.628 58.100 -0.282 0.000 1.164 113 Y CB -0.432 37.811 38.460 -0.361 0.000 0.982 113 Y HN 0.105 nan 8.280 nan 0.000 0.515 114 V N -0.075 119.958 119.914 0.198 0.000 2.307 114 V HA -0.275 3.844 4.120 -0.000 0.000 0.245 114 V C 2.257 178.440 176.094 0.148 0.000 1.045 114 V CA 1.835 64.244 62.300 0.182 0.000 1.024 114 V CB -0.528 31.379 31.823 0.139 0.000 0.651 114 V HN 0.317 nan 8.190 nan 0.000 0.449 115 R N 0.414 120.974 120.500 0.101 0.000 2.105 115 R HA -0.129 4.211 4.340 -0.000 0.000 0.239 115 R C 2.153 178.511 176.300 0.097 0.000 1.135 115 R CA 1.486 57.632 56.100 0.076 0.000 0.967 115 R CB -0.549 29.776 30.300 0.042 0.000 0.861 115 R HN 0.524 nan 8.270 nan 0.000 0.442 116 A N 0.082 122.982 122.820 0.133 0.000 2.235 116 A HA 0.158 4.478 4.320 -0.000 0.000 0.208 116 A C 1.382 179.097 177.584 0.218 0.000 1.172 116 A CA 0.857 53.002 52.037 0.180 0.000 0.786 116 A CB -0.218 18.916 19.000 0.224 0.000 0.804 116 A HN 0.490 nan 8.150 nan 0.000 0.479 117 G N -1.882 107.046 108.800 0.214 0.000 2.143 117 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.249 117 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.249 117 G C -0.080 174.902 174.900 0.136 0.000 0.981 117 G CA -0.010 45.178 45.100 0.146 0.000 0.665 117 G HN 0.319 nan 8.290 nan 0.000 0.528 118 F N 1.842 121.841 119.950 0.081 0.000 2.541 118 F HA 0.396 4.923 4.527 -0.000 0.000 0.378 118 F C 1.737 177.593 175.800 0.093 0.000 1.068 118 F CA 0.524 58.600 58.000 0.126 0.000 1.199 118 F CB 1.293 40.441 39.000 0.248 0.000 1.091 118 F HN 0.193 nan 8.300 nan 0.000 0.555 119 S N 1.291 117.098 115.700 0.179 0.000 2.512 119 S HA 0.116 4.586 4.470 -0.000 0.000 0.216 119 S C 0.428 175.049 174.600 0.034 0.000 1.006 119 S CA -0.478 57.769 58.200 0.077 0.000 0.915 119 S CB 0.014 63.236 63.200 0.037 0.000 0.824 119 S HN 0.547 nan 8.310 nan 0.000 0.497 120 K N 1.667 122.126 120.400 0.099 0.000 2.339 120 K HA 0.476 4.796 4.320 -0.000 0.000 0.264 120 K C -1.470 175.196 176.600 0.109 0.000 0.986 120 K CA -0.696 55.628 56.287 0.063 0.000 0.866 120 K CB 0.611 33.155 32.500 0.072 0.000 1.103 120 K HN 0.159 nan 8.250 nan 0.000 0.441 121 I N 4.864 125.473 120.570 0.065 0.000 2.439 121 I HA 0.114 4.284 4.170 -0.000 0.000 0.283 121 I C -0.413 175.849 176.117 0.241 0.000 1.023 121 I CA -0.526 60.857 61.300 0.138 0.000 1.100 121 I CB 1.298 39.405 38.000 0.179 0.000 1.238 121 I HN 0.751 nan 8.210 nan 0.000 0.445 122 H N 7.433 126.538 119.070 0.060 0.000 2.705 122 H HA 0.450 5.005 4.556 -0.000 0.000 0.291 122 H C -1.102 174.265 175.328 0.064 0.000 1.085 122 H CA -0.645 55.435 56.048 0.054 0.000 1.357 122 H CB 0.961 30.707 29.762 -0.027 0.000 1.419 122 H HN 0.467 nan 8.280 nan 0.000 0.462 123 L N 5.737 127.067 121.223 0.179 0.000 2.257 123 L HA 0.168 4.507 4.340 -0.000 0.000 0.290 123 L C -0.350 176.512 176.870 -0.014 0.000 1.044 123 L CA -0.301 54.580 54.840 0.069 0.000 0.810 123 L CB 1.001 43.180 42.059 0.201 0.000 1.193 123 L HN 0.673 nan 8.230 nan 0.000 0.425 124 D N 3.448 123.770 120.400 -0.131 0.000 2.330 124 D HA 0.417 5.056 4.640 -0.000 0.000 0.249 124 D C -0.360 175.960 176.300 0.033 0.000 1.306 124 D CA -0.292 53.674 54.000 -0.056 0.000 0.956 124 D CB 1.673 42.349 40.800 -0.206 0.000 1.261 124 D HN 0.489 nan 8.370 nan 0.000 0.544 125 A N 2.841 125.709 122.820 0.079 0.000 3.041 125 A HA 0.471 4.791 4.320 -0.000 0.000 0.307 125 A C 0.693 178.321 177.584 0.074 0.000 1.116 125 A CA -0.346 51.734 52.037 0.072 0.000 1.001 125 A CB -0.370 18.668 19.000 0.064 0.000 1.112 125 A HN 0.450 nan 8.150 nan 0.000 0.556 129 C N 1.676 120.994 119.300 0.030 0.000 2.534 129 C HA 0.910 5.369 4.460 -0.000 0.000 0.398 129 C C 1.359 176.364 174.990 0.024 0.000 1.609 129 C CA -0.676 58.364 59.018 0.037 0.000 1.916 129 C CB 0.140 27.912 27.740 0.054 0.000 1.954 129 C HN 1.066 nan 8.230 nan 0.000 0.508 130 A N 0.347 123.183 122.820 0.025 0.000 2.491 130 A HA 0.466 4.786 4.320 -0.000 0.000 0.261 130 A C 1.249 178.839 177.584 0.010 0.000 1.101 130 A CA 0.803 52.849 52.037 0.015 0.000 0.772 130 A CB -1.021 17.988 19.000 0.015 0.000 1.043 130 A HN 2.203 nan 8.150 nan 0.000 0.501 131 G N 2.212 111.015 108.800 0.005 0.000 2.234 131 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.235 131 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.235 131 G C 0.096 174.997 174.900 0.002 0.000 0.997 131 G CA 0.256 45.357 45.100 0.002 0.000 0.623 131 G HN 0.768 nan 8.290 nan 0.000 0.514 132 D N 2.293 122.696 120.400 0.005 0.000 2.382 132 D HA 0.482 5.121 4.640 -0.000 0.000 0.240 132 D C -1.612 174.689 176.300 0.002 0.000 1.146 132 D CA -0.562 53.441 54.000 0.005 0.000 0.897 132 D CB 0.926 41.732 40.800 0.010 0.000 1.197 132 D HN 0.203 nan 8.370 nan 0.000 0.432 133 P HA 0.336 nan 4.420 nan 0.000 0.276 133 P C -0.507 176.792 177.300 -0.001 0.000 1.252 133 P CA -0.274 62.826 63.100 -0.001 0.000 0.802 133 P CB 0.765 32.464 31.700 -0.001 0.000 1.035 134 I N 2.069 122.637 120.570 -0.004 0.000 2.439 134 I HA 0.321 4.491 4.170 -0.000 0.000 0.285 134 I C -1.754 174.357 176.117 -0.009 0.000 1.021 134 I CA -1.761 59.535 61.300 -0.006 0.000 1.091 134 I CB 1.501 39.495 38.000 -0.010 0.000 1.242 134 I HN 0.349 nan 8.210 nan 0.000 0.439 135 P HA 0.419 nan 4.420 nan 0.000 0.284 135 P C -0.731 176.570 177.300 0.001 0.000 1.292 135 P CA -0.749 62.348 63.100 -0.004 0.000 0.800 135 P CB 0.871 32.567 31.700 -0.006 0.000 1.188 136 L N 0.215 121.443 121.223 0.007 0.000 2.483 136 L HA 0.277 4.617 4.340 -0.000 0.000 0.276 136 L C 0.828 177.704 176.870 0.010 0.000 1.213 136 L CA -0.099 54.747 54.840 0.010 0.000 0.843 136 L CB -0.722 41.347 42.059 0.017 0.000 1.107 136 L HN 0.599 nan 8.230 nan 0.000 0.487 137 A N 5.792 128.616 122.820 0.007 0.000 2.511 137 A HA 0.319 4.639 4.320 -0.000 0.000 0.242 137 A C -1.504 176.087 177.584 0.012 0.000 1.069 137 A CA -0.723 51.318 52.037 0.007 0.000 0.763 137 A CB -0.415 18.587 19.000 0.004 0.000 1.001 137 A HN 0.752 nan 8.150 nan 0.000 0.498 138 P HA -0.122 nan 4.420 nan 0.000 0.220 138 P C 0.739 178.050 177.300 0.017 0.000 1.148 138 P CA 1.316 64.435 63.100 0.031 0.000 0.803 138 P CB 0.207 31.930 31.700 0.037 0.000 0.782 139 E N -1.084 119.119 120.200 0.006 0.000 2.110 139 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 139 E C 1.891 178.475 176.600 -0.025 0.000 0.988 139 E CA 1.509 57.903 56.400 -0.009 0.000 0.804 139 E CB -1.498 28.202 29.700 -0.001 0.000 0.745 139 E HN 0.239 nan 8.360 nan 0.000 0.458 140 T N 0.300 114.845 114.554 -0.015 0.000 2.777 140 T HA -0.096 4.254 4.350 -0.000 0.000 0.266 140 T C 2.040 176.727 174.700 -0.021 0.000 1.040 140 T CA 1.117 63.207 62.100 -0.016 0.000 1.141 140 T CB -0.307 68.558 68.868 -0.005 0.000 0.868 140 T HN -0.023 nan 8.240 nan 0.000 0.444 141 V N 2.039 121.947 119.914 -0.010 0.000 2.287 141 V HA -0.217 3.902 4.120 -0.000 0.000 0.248 141 V C 2.945 178.982 176.094 -0.096 0.000 1.053 141 V CA 1.848 64.149 62.300 0.002 0.000 1.027 141 V CB -1.329 30.533 31.823 0.064 0.000 0.646 141 V HN 0.542 nan 8.190 nan 0.000 0.447 142 A N -0.499 122.187 122.820 -0.224 0.000 1.902 142 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 142 A C 2.197 179.650 177.584 -0.219 0.000 1.181 142 A CA 1.890 53.613 52.037 -0.523 0.000 0.623 142 A CB -0.500 18.275 19.000 -0.374 0.000 0.818 142 A HN 0.620 nan 8.150 nan 0.000 0.443 143 E N -0.546 119.591 120.200 -0.106 0.000 2.077 143 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 143 E C 2.364 178.929 176.600 -0.059 0.000 0.989 143 E CA 1.188 57.550 56.400 -0.062 0.000 0.800 143 E CB -0.151 29.519 29.700 -0.049 0.000 0.746 143 E HN 0.525 nan 8.360 nan 0.000 0.452 144 R N 0.274 120.748 120.500 -0.044 0.000 2.075 144 R HA -0.069 4.271 4.340 -0.000 0.000 0.232 144 R C 2.383 178.681 176.300 -0.003 0.000 1.126 144 R CA 1.005 57.093 56.100 -0.019 0.000 0.963 144 R CB -0.277 30.025 30.300 0.003 0.000 0.858 144 R HN 0.102 nan 8.270 nan 0.000 0.435 145 A N 1.373 124.202 122.820 0.015 0.000 1.908 145 A HA -0.143 4.176 4.320 -0.000 0.000 0.218 145 A C 2.372 179.971 177.584 0.024 0.000 1.181 145 A CA 1.765 53.860 52.037 0.096 0.000 0.627 145 A CB -0.611 18.530 19.000 0.235 0.000 0.818 145 A HN 0.402 nan 8.150 nan 0.000 0.445 146 A N -0.661 122.125 122.820 -0.056 0.000 1.933 146 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 146 A C 2.216 179.659 177.584 -0.236 0.000 1.175 146 A CA 1.664 53.497 52.037 -0.340 0.000 0.628 146 A CB -0.889 17.975 19.000 -0.226 0.000 0.814 146 A HN 0.376 nan 8.150 nan 0.000 0.444 147 V N 0.249 120.090 119.914 -0.120 0.000 2.332 147 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 147 V C 2.568 178.655 176.094 -0.011 0.000 1.055 147 V CA 2.053 64.312 62.300 -0.069 0.000 1.038 147 V CB -0.709 31.078 31.823 -0.060 0.000 0.651 147 V HN 0.583 nan 8.190 nan 0.000 0.450 148 L N -0.789 120.419 121.223 -0.025 0.000 2.056 148 L HA -0.215 4.125 4.340 -0.000 0.000 0.207 148 L C 2.698 179.549 176.870 -0.032 0.000 1.078 148 L CA 1.685 56.526 54.840 0.001 0.000 0.749 148 L CB -0.749 41.326 42.059 0.026 0.000 0.901 148 L HN 0.511 nan 8.230 nan 0.000 0.433 149 C N -0.140 119.058 119.300 -0.169 0.000 2.429 149 C HA -0.227 4.233 4.460 -0.000 0.000 0.277 149 C C 2.783 177.652 174.990 -0.201 0.000 1.262 149 C CA 0.415 59.218 59.018 -0.358 0.000 1.733 149 C CB -0.846 26.423 27.740 -0.786 0.000 2.010 149 C HN 0.547 nan 8.230 nan 0.000 0.483 150 F N 2.016 121.796 119.950 -0.282 0.000 2.091 150 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 150 F C 2.342 178.092 175.800 -0.084 0.000 1.103 150 F CA 2.116 60.011 58.000 -0.175 0.000 1.228 150 F CB -0.517 38.385 39.000 -0.164 0.000 0.984 150 F HN 0.285 nan 8.300 nan 0.000 0.477 151 A N 0.191 123.082 122.820 0.117 0.000 1.877 151 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 151 A C 2.410 180.003 177.584 0.014 0.000 1.186 151 A CA 1.924 54.003 52.037 0.070 0.000 0.620 151 A CB -1.599 17.446 19.000 0.076 0.000 0.822 151 A HN 0.503 nan 8.150 nan 0.000 0.443 152 A N -0.293 122.554 122.820 0.045 0.000 1.865 152 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 152 A C 1.939 179.558 177.584 0.058 0.000 1.191 152 A CA 1.773 53.874 52.037 0.107 0.000 0.623 152 A CB -0.567 18.596 19.000 0.271 0.000 0.826 152 A HN 0.498 nan 8.150 nan 0.000 0.444 153 E N 0.336 120.534 120.200 -0.003 0.000 2.153 153 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 153 E C 2.440 178.950 176.600 -0.150 0.000 0.988 153 E CA 1.550 57.911 56.400 -0.065 0.000 0.811 153 E CB -0.448 29.161 29.700 -0.151 0.000 0.746 153 E HN 0.793 nan 8.360 nan 0.000 0.466 154 S N 0.661 116.220 115.700 -0.235 0.000 2.406 154 S HA -0.091 4.379 4.470 -0.000 0.000 0.228 154 S C 2.216 176.763 174.600 -0.088 0.000 1.020 154 S CA 1.173 59.241 58.200 -0.221 0.000 0.965 154 S CB -0.463 62.582 63.200 -0.259 0.000 0.798 154 S HN 0.179 nan 8.310 nan 0.000 0.488 155 V N -0.883 119.006 119.914 -0.042 0.000 3.235 155 V HA 0.549 4.669 4.120 -0.000 0.000 0.259 155 V C 1.133 177.231 176.094 0.007 0.000 1.133 155 V CA -0.158 62.139 62.300 -0.006 0.000 1.128 155 V CB -1.419 30.412 31.823 0.014 0.000 0.757 155 V HN 0.610 nan 8.190 nan 0.000 0.469 156 A N 2.453 125.278 122.820 0.008 0.000 2.511 156 A HA 0.473 4.792 4.320 -0.000 0.000 0.242 156 A C 0.907 178.498 177.584 0.012 0.000 1.069 156 A CA 0.654 52.705 52.037 0.023 0.000 0.763 156 A CB -0.327 18.692 19.000 0.032 0.000 1.001 156 A HN 0.824 nan 8.150 nan 0.000 0.498 157 T N 0.384 114.950 114.554 0.020 0.000 2.813 157 T HA 0.182 4.532 4.350 -0.000 0.000 0.297 157 T C 0.536 175.243 174.700 0.012 0.000 1.036 157 T CA 0.126 62.235 62.100 0.014 0.000 1.044 157 T CB 0.459 69.338 68.868 0.019 0.000 0.993 157 T HN 0.570 nan 8.240 nan 0.000 0.535 158 D N -0.047 120.358 120.400 0.008 0.000 2.133 158 D HA -0.145 4.494 4.640 -0.000 0.000 0.192 158 D C 2.116 178.423 176.300 0.012 0.000 1.001 158 D CA 1.266 55.271 54.000 0.008 0.000 0.844 158 D CB -0.848 39.955 40.800 0.006 0.000 0.944 158 D HN 0.714 nan 8.370 nan 0.000 0.447 159 C N 0.581 119.889 119.300 0.013 0.000 2.440 159 C HA -0.084 4.376 4.460 -0.000 0.000 0.278 159 C C 2.575 177.575 174.990 0.017 0.000 1.295 159 C CA 0.775 59.801 59.018 0.014 0.000 1.738 159 C CB -0.961 26.787 27.740 0.014 0.000 1.987 159 C HN 0.307 nan 8.230 nan 0.000 0.492 160 Q N -0.339 119.474 119.800 0.023 0.000 2.123 160 Q HA -0.134 4.206 4.340 -0.000 0.000 0.199 160 Q C 2.441 178.454 176.000 0.021 0.000 0.966 160 Q CA 1.201 57.021 55.803 0.029 0.000 0.845 160 Q CB -0.246 28.518 28.738 0.043 0.000 0.907 160 Q HN 0.649 nan 8.270 nan 0.000 0.439 161 R N 0.806 121.319 120.500 0.022 0.000 2.081 161 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 161 R C 1.849 178.162 176.300 0.021 0.000 1.131 161 R CA 1.332 57.448 56.100 0.027 0.000 0.960 161 R CB 0.116 30.432 30.300 0.027 0.000 0.856 161 R HN 0.058 nan 8.270 nan 0.000 0.436 162 E N -0.069 120.141 120.200 0.016 0.000 2.204 162 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 162 E C 1.391 177.992 176.600 0.002 0.000 0.989 162 E CA 1.061 57.469 56.400 0.013 0.000 0.824 162 E CB 0.244 29.951 29.700 0.011 0.000 0.756 162 E HN 0.264 nan 8.360 nan 0.000 0.477 163 Q N -0.509 119.288 119.800 -0.004 0.000 2.360 163 Q HA 0.147 4.487 4.340 -0.000 0.000 0.202 163 Q C 0.072 176.046 176.000 -0.044 0.000 0.915 163 Q CA 0.016 55.811 55.803 -0.013 0.000 0.943 163 Q CB 0.342 29.081 28.738 0.000 0.000 1.064 163 Q HN 0.294 nan 8.270 nan 0.000 0.511 164 L N 1.414 122.592 121.223 -0.075 0.000 2.410 164 L HA 0.108 4.447 4.340 -0.000 0.000 0.273 164 L C 0.060 176.750 176.870 -0.299 0.000 1.152 164 L CA 0.119 54.838 54.840 -0.201 0.000 0.855 164 L CB 0.769 42.670 42.059 -0.263 0.000 1.129 164 L HN -0.141 nan 8.230 nan 0.000 0.463 165 S N 2.241 117.745 115.700 -0.326 0.000 2.473 165 S HA 0.559 5.029 4.470 -0.000 0.000 0.307 165 S C -1.041 173.350 174.600 -0.349 0.000 1.094 165 S CA -0.524 57.527 58.200 -0.248 0.000 1.070 165 S CB 0.975 64.120 63.200 -0.092 0.000 1.019 165 S HN 0.206 nan 8.310 nan 0.000 0.480 166 Y N 1.098 121.455 120.300 0.095 0.000 2.342 166 Y HA 0.550 5.100 4.550 -0.000 0.000 0.334 166 Y C 0.146 176.096 175.900 0.083 0.000 1.067 166 Y CA -0.928 57.244 58.100 0.121 0.000 1.128 166 Y CB 0.909 39.482 38.460 0.189 0.000 1.200 166 Y HN 0.291 nan 8.280 nan 0.000 0.464 167 V N 5.182 125.252 119.914 0.260 0.000 2.483 167 V HA 0.531 4.651 4.120 -0.000 0.000 0.295 167 V C 0.020 176.254 176.094 0.233 0.000 1.035 167 V CA -0.857 61.531 62.300 0.145 0.000 0.896 167 V CB 1.367 33.195 31.823 0.009 0.000 0.986 167 V HN 0.695 nan 8.190 nan 0.000 0.447 168 I N 1.050 121.674 120.570 0.089 0.000 3.067 168 I HA 1.074 5.244 4.170 -0.000 0.000 0.312 168 I C 0.344 176.467 176.117 0.010 0.000 1.073 168 I CA -0.513 60.811 61.300 0.040 0.000 1.016 168 I CB 2.108 39.929 38.000 -0.298 0.000 1.227 168 I HN 0.974 nan 8.210 nan 0.000 0.456 169 G N 1.298 110.119 108.800 0.034 0.000 2.757 169 G HA2 0.128 4.088 3.960 -0.000 0.000 0.638 169 G HA3 0.128 4.088 3.960 -0.000 0.000 0.638 169 G C -0.544 174.451 174.900 0.158 0.000 1.344 169 G CA -0.147 44.985 45.100 0.054 0.000 0.855 169 G HN 1.152 nan 8.290 nan 0.000 0.537 170 T N -1.151 113.456 114.554 0.089 0.000 2.868 170 T HA 0.578 4.928 4.350 -0.000 0.000 0.306 170 T C 1.160 175.858 174.700 -0.004 0.000 1.224 170 T CA 0.755 62.919 62.100 0.107 0.000 1.012 170 T CB 1.570 70.564 68.868 0.209 0.000 1.221 170 T HN 1.098 nan 8.240 nan 0.000 0.499 171 E N 1.751 121.924 120.200 -0.044 0.000 2.299 171 E HA 0.046 4.396 4.350 -0.000 0.000 0.193 171 E C 0.581 177.174 176.600 -0.013 0.000 0.998 171 E CA 0.505 56.866 56.400 -0.065 0.000 0.851 171 E CB -0.467 29.178 29.700 -0.092 0.000 0.795 171 E HN 0.401 nan 8.360 nan 0.000 0.492 172 V N 5.361 125.287 119.914 0.021 0.000 2.493 172 V HA 0.073 4.193 4.120 -0.000 0.000 0.292 172 V C -1.799 174.286 176.094 -0.014 0.000 1.016 172 V CA -0.948 61.353 62.300 0.003 0.000 1.097 172 V CB -0.122 31.707 31.823 0.009 0.000 0.947 172 V HN 0.199 nan 8.190 nan 0.000 0.479 173 P HA 0.226 nan 4.420 nan 0.000 0.275 173 P C 0.081 177.347 177.300 -0.057 0.000 1.227 173 P CA -0.087 62.977 63.100 -0.061 0.000 0.781 173 P CB 1.194 32.839 31.700 -0.091 0.000 0.906 186 H N 3.790 122.835 119.070 -0.042 0.000 2.792 186 H HA 0.625 5.181 4.556 -0.000 0.000 0.298 186 H C -0.098 175.195 175.328 -0.059 0.000 1.042 186 H CA -0.349 55.669 56.048 -0.049 0.000 1.300 186 H CB 1.159 30.875 29.762 -0.075 0.000 1.431 186 H HN 0.615 nan 8.280 nan 0.000 0.496 187 I N 3.567 124.108 120.570 -0.048 0.000 2.742 187 I HA -0.092 4.077 4.170 -0.000 0.000 0.287 187 I C 0.562 176.681 176.117 0.004 0.000 1.186 187 I CA 0.444 61.734 61.300 -0.017 0.000 1.417 187 I CB 0.375 38.372 38.000 -0.006 0.000 1.377 187 I HN 0.599 nan 8.210 nan 0.000 0.556 188 T N 6.189 120.733 114.554 -0.018 0.000 2.891 188 T HA -0.061 4.289 4.350 -0.000 0.000 0.296 188 T C 0.184 174.920 174.700 0.059 0.000 1.025 188 T CA 0.108 62.186 62.100 -0.036 0.000 1.149 188 T CB -0.387 68.450 68.868 -0.051 0.000 1.007 188 T HN 0.425 nan 8.240 nan 0.000 0.528 189 H N 1.414 120.471 119.070 -0.023 0.000 2.764 189 H HA 0.100 4.656 4.556 -0.000 0.000 0.341 189 H C 1.385 176.646 175.328 -0.112 0.000 1.072 189 H CA -1.012 55.009 56.048 -0.044 0.000 1.444 189 H CB 0.796 30.539 29.762 -0.031 0.000 1.458 189 H HN 0.315 nan 8.280 nan 0.000 0.572 190 V N 2.877 122.787 119.914 -0.007 0.000 2.324 190 V HA -0.294 3.826 4.120 -0.000 0.000 0.250 190 V C 2.509 178.384 176.094 -0.366 0.000 1.060 190 V CA 2.218 64.384 62.300 -0.223 0.000 1.042 190 V CB -0.422 31.310 31.823 -0.152 0.000 0.650 190 V HN 0.862 nan 8.190 nan 0.000 0.450 191 E N -0.012 120.084 120.200 -0.174 0.000 2.204 191 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 191 E C 1.465 177.987 176.600 -0.130 0.000 0.989 191 E CA 1.661 57.970 56.400 -0.152 0.000 0.824 191 E CB -0.423 29.238 29.700 -0.064 0.000 0.756 191 E HN 0.599 nan 8.360 nan 0.000 0.477 192 D N 1.614 121.965 120.400 -0.082 0.000 2.123 192 D HA -0.007 4.633 4.640 -0.000 0.000 0.200 192 D C 2.004 178.227 176.300 -0.129 0.000 0.976 192 D CA 1.731 55.689 54.000 -0.070 0.000 0.831 192 D CB -0.312 40.464 40.800 -0.040 0.000 0.974 192 D HN 0.337 nan 8.370 nan 0.000 0.469 193 A N 1.412 124.097 122.820 -0.224 0.000 1.908 193 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 193 A C 2.341 179.663 177.584 -0.436 0.000 1.181 193 A CA 2.308 54.166 52.037 -0.297 0.000 0.627 193 A CB -0.717 18.074 19.000 -0.347 0.000 0.818 193 A HN 0.237 nan 8.150 nan 0.000 0.445 194 A N 0.097 122.516 122.820 -0.669 0.000 1.877 194 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 194 A C 2.001 179.549 177.584 -0.059 0.000 1.186 194 A CA 2.201 54.020 52.037 -0.364 0.000 0.620 194 A CB -0.737 18.071 19.000 -0.321 0.000 0.822 194 A HN 0.593 nan 8.150 nan 0.000 0.443 195 N N -0.769 117.889 118.700 -0.070 0.000 2.188 195 N HA -0.096 4.643 4.740 -0.000 0.000 0.184 195 N C 1.693 177.235 175.510 0.053 0.000 1.018 195 N CA 1.985 55.039 53.050 0.006 0.000 0.858 195 N CB -0.406 38.081 38.487 0.000 0.000 0.989 195 N HN 0.396 nan 8.380 nan 0.000 0.426 196 T N 0.696 115.273 114.554 0.038 0.000 2.684 196 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 196 T C 1.765 176.540 174.700 0.125 0.000 1.036 196 T CA 1.132 63.290 62.100 0.096 0.000 1.148 196 T CB -0.403 68.479 68.868 0.024 0.000 0.863 196 T HN 0.175 nan 8.240 nan 0.000 0.436 197 L N 1.406 122.682 121.223 0.088 0.000 2.017 197 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 197 L C 2.528 179.468 176.870 0.117 0.000 1.073 197 L CA 1.821 56.725 54.840 0.106 0.000 0.745 197 L CB -0.568 41.632 42.059 0.235 0.000 0.894 197 L HN 0.095 nan 8.230 nan 0.000 0.432 198 R N -0.868 119.705 120.500 0.122 0.000 2.073 198 R HA -0.175 4.165 4.340 -0.000 0.000 0.234 198 R C 2.160 178.517 176.300 0.095 0.000 1.134 198 R CA 2.184 58.344 56.100 0.100 0.000 0.952 198 R CB -0.619 29.733 30.300 0.088 0.000 0.850 198 R HN 0.646 nan 8.270 nan 0.000 0.433 199 T N -2.021 112.600 114.554 0.112 0.000 2.821 199 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 199 T C 1.563 176.312 174.700 0.082 0.000 1.046 199 T CA 1.479 63.632 62.100 0.089 0.000 1.139 199 T CB -0.493 68.421 68.868 0.078 0.000 0.871 199 T HN 0.402 nan 8.240 nan 0.000 0.454 200 H N 1.484 120.562 119.070 0.015 0.000 2.321 200 H HA 0.064 4.620 4.556 -0.000 0.000 0.300 200 H C 2.740 178.012 175.328 -0.093 0.000 1.087 200 H CA 1.822 57.848 56.048 -0.036 0.000 1.319 200 H CB -0.368 29.292 29.762 -0.170 0.000 1.379 200 H HN 0.449 nan 8.280 nan 0.000 0.501 201 Q N 0.638 120.446 119.800 0.014 0.000 2.062 201 Q HA -0.231 4.109 4.340 -0.000 0.000 0.209 201 Q C 2.089 178.153 176.000 0.106 0.000 0.996 201 Q CA 1.802 57.615 55.803 0.016 0.000 0.859 201 Q CB -0.125 28.630 28.738 0.028 0.000 0.920 201 Q HN 0.482 nan 8.270 nan 0.000 0.415 202 K N -0.092 120.365 120.400 0.094 0.000 2.097 202 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 202 K C 2.073 178.738 176.600 0.108 0.000 1.049 202 K CA 1.075 57.414 56.287 0.087 0.000 0.933 202 K CB -0.130 32.406 32.500 0.059 0.000 0.717 202 K HN 0.156 nan 8.250 nan 0.000 0.442 203 A N 0.775 123.675 122.820 0.132 0.000 1.929 203 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 203 A C 1.851 179.556 177.584 0.201 0.000 1.176 203 A CA 1.054 53.168 52.037 0.128 0.000 0.628 203 A CB -0.505 18.545 19.000 0.085 0.000 0.816 203 A HN 0.120 nan 8.150 nan 0.000 0.444 204 F N 0.383 120.335 119.950 0.004 0.000 2.075 204 F HA -0.138 4.389 4.527 -0.000 0.000 0.297 204 F C 2.246 178.065 175.800 0.032 0.000 1.113 204 F CA 0.791 58.804 58.000 0.022 0.000 1.218 204 F CB -0.469 38.553 39.000 0.036 0.000 0.984 204 F HN 0.100 nan 8.300 nan 0.000 0.472 205 I N 0.180 120.886 120.570 0.226 0.000 2.208 205 I HA -0.273 3.896 4.170 -0.000 0.000 0.245 205 I C 2.597 178.762 176.117 0.081 0.000 1.097 205 I CA 1.522 62.901 61.300 0.130 0.000 1.363 205 I CB -1.996 36.065 38.000 0.102 0.000 1.051 205 I HN 0.069 nan 8.210 nan 0.000 0.413 206 A N 0.348 123.207 122.820 0.065 0.000 2.131 206 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 206 A C 1.989 179.570 177.584 -0.005 0.000 1.158 206 A CA 1.234 53.285 52.037 0.023 0.000 0.665 206 A CB -0.316 18.690 19.000 0.011 0.000 0.795 206 A HN 0.287 nan 8.150 nan 0.000 0.460 207 R N -1.607 118.892 120.500 -0.001 0.000 2.509 207 R HA 0.228 4.568 4.340 -0.000 0.000 0.300 207 R C 1.108 177.447 176.300 0.064 0.000 0.985 207 R CA 0.500 56.582 56.100 -0.031 0.000 1.092 207 R CB -0.529 29.719 30.300 -0.087 0.000 1.237 207 R HN 0.758 nan 8.270 nan 0.000 0.546 208 G N 1.531 110.372 108.800 0.069 0.000 2.153 208 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.252 208 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.252 208 G C 0.261 175.219 174.900 0.098 0.000 0.994 208 G CA 0.104 45.257 45.100 0.089 0.000 0.698 208 G HN 0.323 nan 8.290 nan 0.000 0.521 209 L N 1.934 123.213 121.223 0.094 0.000 2.727 209 L HA 0.237 4.577 4.340 -0.000 0.000 0.237 209 L C 2.309 179.278 176.870 0.166 0.000 1.370 209 L CA 0.363 55.254 54.840 0.085 0.000 1.248 209 L CB -0.420 41.598 42.059 -0.069 0.000 1.556 209 L HN 0.422 nan 8.230 nan 0.000 0.420 210 T N -4.324 110.306 114.554 0.125 0.000 2.777 210 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 210 T C 1.562 176.333 174.700 0.118 0.000 1.040 210 T CA 0.848 63.020 62.100 0.119 0.000 1.141 210 T CB 0.094 69.011 68.868 0.081 0.000 0.868 210 T HN 0.392 nan 8.240 nan 0.000 0.444 211 E N 1.400 121.662 120.200 0.103 0.000 2.046 211 E HA 0.005 4.355 4.350 -0.000 0.000 0.190 211 E C 2.582 179.271 176.600 0.149 0.000 0.982 211 E CA 1.041 57.501 56.400 0.100 0.000 0.800 211 E CB -0.369 29.375 29.700 0.074 0.000 0.756 211 E HN 0.625 nan 8.360 nan 0.000 0.449 212 A N 1.238 124.167 122.820 0.182 0.000 1.978 212 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 212 A C 2.137 179.946 177.584 0.374 0.000 1.170 212 A CA 1.031 53.236 52.037 0.281 0.000 0.636 212 A CB -0.514 18.598 19.000 0.187 0.000 0.810 212 A HN 0.293 nan 8.150 nan 0.000 0.448 213 L N 0.594 122.024 121.223 0.346 0.000 2.083 213 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 213 L C 2.635 179.570 176.870 0.109 0.000 1.083 213 L CA 2.743 57.717 54.840 0.223 0.000 0.752 213 L CB -0.920 41.244 42.059 0.175 0.000 0.899 213 L HN 0.561 nan 8.230 nan 0.000 0.433 214 T N -3.858 110.764 114.554 0.114 0.000 3.051 214 T HA -0.133 4.217 4.350 -0.000 0.000 0.269 214 T C 1.855 176.606 174.700 0.086 0.000 1.127 214 T CA 0.812 62.954 62.100 0.070 0.000 1.107 214 T CB -0.447 68.454 68.868 0.055 0.000 0.898 214 T HN 0.393 nan 8.240 nan 0.000 0.517 215 R N 0.466 121.066 120.500 0.166 0.000 2.317 215 R HA 0.270 4.610 4.340 -0.000 0.000 0.208 215 R C -0.186 176.249 176.300 0.224 0.000 0.914 215 R CA -0.155 56.052 56.100 0.178 0.000 1.060 215 R CB 0.338 30.768 30.300 0.217 0.000 1.015 215 R HN 0.295 nan 8.270 nan 0.000 0.498 216 V N 3.294 123.332 119.914 0.207 0.000 2.397 216 V HA 0.001 4.121 4.120 -0.000 0.000 0.262 216 V C 1.275 177.391 176.094 0.036 0.000 1.047 216 V CA 0.452 62.835 62.300 0.139 0.000 1.003 216 V CB 0.418 32.234 31.823 -0.011 0.000 1.037 216 V HN 0.281 nan 8.190 nan 0.000 0.480 217 I N 2.264 122.852 120.570 0.030 0.000 3.854 217 I HA 0.707 4.877 4.170 -0.000 0.000 0.312 217 I C 0.792 176.874 176.117 -0.058 0.000 1.273 217 I CA 0.299 61.584 61.300 -0.026 0.000 1.298 217 I CB 0.339 38.324 38.000 -0.025 0.000 1.071 217 I HN 0.489 nan 8.210 nan 0.000 0.428 218 A N 1.278 124.078 122.820 -0.032 0.000 2.574 218 A HA 0.780 5.100 4.320 -0.000 0.000 0.297 218 A C -1.470 176.111 177.584 -0.005 0.000 1.062 218 A CA -0.483 51.531 52.037 -0.038 0.000 0.686 218 A CB 1.687 20.674 19.000 -0.022 0.000 1.285 218 A HN 0.265 nan 8.150 nan 0.000 0.403 219 I N 1.547 122.145 120.570 0.046 0.000 2.569 219 I HA 0.644 4.814 4.170 -0.000 0.000 0.296 219 I C -1.109 175.106 176.117 0.164 0.000 1.028 219 I CA -1.013 60.346 61.300 0.098 0.000 1.082 219 I CB 1.937 40.038 38.000 0.168 0.000 1.264 219 I HN 0.410 nan 8.210 nan 0.000 0.429 220 V N 7.787 127.718 119.914 0.028 0.000 2.432 220 V HA 0.383 4.503 4.120 -0.000 0.000 0.271 220 V C 0.140 176.230 176.094 -0.006 0.000 1.046 220 V CA -0.206 62.065 62.300 -0.049 0.000 0.945 220 V CB 0.877 32.523 31.823 -0.295 0.000 0.992 220 V HN 0.564 nan 8.190 nan 0.000 0.471 221 V N 2.821 122.736 119.914 0.002 0.000 3.158 221 V HA 0.764 4.884 4.120 -0.000 0.000 0.311 221 V C -0.774 175.268 176.094 -0.088 0.000 1.181 221 V CA -1.112 61.153 62.300 -0.058 0.000 1.054 221 V CB 2.186 33.918 31.823 -0.152 0.000 1.085 221 V HN 0.697 nan 8.190 nan 0.000 0.446 222 Q N 2.752 122.496 119.800 -0.094 0.000 2.398 222 Q HA 0.552 4.892 4.340 -0.000 0.000 0.251 222 Q C -2.181 173.733 176.000 -0.143 0.000 0.999 222 Q CA -1.861 53.883 55.803 -0.099 0.000 0.874 222 Q CB 1.846 30.552 28.738 -0.054 0.000 1.215 222 Q HN 0.631 nan 8.270 nan 0.000 0.470 223 P HA 0.176 nan 4.420 nan 0.000 0.249 223 P C -0.031 177.219 177.300 -0.083 0.000 1.229 223 P CA 0.800 63.664 63.100 -0.393 0.000 0.788 223 P CB 0.405 31.347 31.700 -1.264 0.000 1.072 224 G N -0.206 108.565 108.800 -0.048 0.000 2.327 224 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.159 224 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.159 224 G C -0.347 174.587 174.900 0.058 0.000 1.056 224 G CA -0.203 44.913 45.100 0.026 0.000 0.751 224 G HN 0.466 nan 8.290 nan 0.000 0.488 225 V N -3.588 116.334 119.914 0.012 0.000 2.709 225 V HA 1.000 5.120 4.120 -0.000 0.000 0.308 225 V C -0.366 175.756 176.094 0.046 0.000 1.062 225 V CA -0.911 61.413 62.300 0.039 0.000 0.901 225 V CB 2.126 33.969 31.823 0.035 0.000 1.003 225 V HN 0.467 nan 8.190 nan 0.000 0.425 226 E N 2.600 122.840 120.200 0.068 0.000 2.422 226 E HA 0.645 4.995 4.350 -0.000 0.000 0.280 226 E C -2.104 174.581 176.600 0.142 0.000 1.091 226 E CA -0.602 55.816 56.400 0.030 0.000 0.849 226 E CB 2.764 32.425 29.700 -0.065 0.000 1.353 226 E HN 0.890 nan 8.360 nan 0.000 0.449 227 F N 0.070 120.043 119.950 0.039 0.000 2.619 227 F HA 0.575 5.102 4.527 -0.000 0.000 0.308 227 F C -0.351 175.448 175.800 -0.002 0.000 1.097 227 F CA -0.761 57.245 58.000 0.010 0.000 0.953 227 F CB 1.005 40.068 39.000 0.105 0.000 1.287 227 F HN 0.329 nan 8.300 nan 0.000 0.446 228 D N 0.544 120.958 120.400 0.024 0.000 3.107 228 D HA 0.179 4.819 4.640 -0.000 0.000 0.197 228 D C 0.587 176.914 176.300 0.046 0.000 1.221 228 D CA 0.127 54.062 54.000 -0.109 0.000 1.209 228 D CB 0.006 40.534 40.800 -0.454 0.000 1.096 228 D HN 0.796 nan 8.370 nan 0.000 0.456 229 H N -0.427 118.764 119.070 0.203 0.000 2.384 229 H HA 0.188 4.744 4.556 -0.000 0.000 0.300 229 H C 1.236 176.616 175.328 0.086 0.000 1.057 229 H CA 1.100 57.260 56.048 0.186 0.000 1.370 229 H CB 0.273 30.146 29.762 0.185 0.000 1.417 229 H HN 0.175 nan 8.280 nan 0.000 0.527 230 S N -0.448 115.327 115.700 0.125 0.000 3.031 230 S HA 0.200 4.670 4.470 -0.000 0.000 0.253 230 S C -0.646 173.956 174.600 0.004 0.000 0.996 230 S CA -0.476 57.757 58.200 0.055 0.000 1.098 230 S CB -0.400 62.848 63.200 0.079 0.000 1.042 230 S HN 0.331 nan 8.310 nan 0.000 0.593 231 N N 0.683 119.373 118.700 -0.015 0.000 2.336 231 N HA 0.542 5.282 4.740 -0.000 0.000 0.290 231 N C -1.562 173.928 175.510 -0.035 0.000 1.058 231 N CA -0.414 52.622 53.050 -0.024 0.000 0.865 231 N CB 1.344 39.823 38.487 -0.014 0.000 1.581 231 N HN 0.166 nan 8.380 nan 0.000 0.480 232 I N 3.014 123.528 120.570 -0.092 0.000 2.404 232 I HA 0.429 4.599 4.170 -0.000 0.000 0.293 232 I C -0.315 175.630 176.117 -0.286 0.000 0.992 232 I CA -0.871 60.313 61.300 -0.194 0.000 1.149 232 I CB 1.560 39.328 38.000 -0.387 0.000 1.315 232 I HN 0.364 nan 8.210 nan 0.000 0.446 233 I N 5.648 126.116 120.570 -0.170 0.000 2.291 233 I HA 0.189 4.358 4.170 -0.000 0.000 0.292 233 I C 0.344 176.384 176.117 -0.129 0.000 1.064 233 I CA -0.294 60.943 61.300 -0.106 0.000 1.269 233 I CB -0.399 37.586 38.000 -0.024 0.000 1.418 233 I HN 0.443 nan 8.210 nan 0.000 0.485 234 H N 5.315 124.411 119.070 0.044 0.000 2.610 234 H HA 0.056 4.612 4.556 -0.000 0.000 0.336 234 H C -0.297 175.075 175.328 0.072 0.000 1.087 234 H CA -0.352 55.722 56.048 0.044 0.000 1.405 234 H CB 0.897 30.666 29.762 0.011 0.000 1.460 234 H HN 0.385 nan 8.280 nan 0.000 0.538 235 Y N 2.852 123.184 120.300 0.054 0.000 2.810 235 Y HA -0.124 4.426 4.550 -0.000 0.000 0.332 235 Y C 0.119 176.033 175.900 0.024 0.000 1.243 235 Y CA 0.238 58.338 58.100 -0.000 0.000 1.537 235 Y CB 0.294 38.739 38.460 -0.026 0.000 1.265 235 Y HN 0.485 nan 8.280 nan 0.000 0.572 236 Q N 9.244 128.782 119.800 -0.437 0.000 2.462 236 Q HA 0.190 4.530 4.340 -0.000 0.000 0.247 236 Q C -1.848 173.691 176.000 -0.769 0.000 1.044 236 Q CA -1.912 53.616 55.803 -0.459 0.000 0.803 236 Q CB 1.498 30.119 28.738 -0.195 0.000 1.190 236 Q HN 0.539 nan 8.270 nan 0.000 0.507 237 P HA -0.246 nan 4.420 nan 0.000 0.215 237 P C 0.944 178.136 177.300 -0.180 0.000 1.157 237 P CA 1.456 64.222 63.100 -0.557 0.000 0.874 237 P CB 0.368 31.950 31.700 -0.195 0.000 0.790 238 Q N -0.467 119.256 119.800 -0.127 0.000 2.197 238 Q HA -0.185 4.155 4.340 -0.000 0.000 0.207 238 Q C 1.813 177.796 176.000 -0.028 0.000 0.984 238 Q CA 1.161 56.937 55.803 -0.045 0.000 0.869 238 Q CB -0.363 28.352 28.738 -0.038 0.000 0.906 238 Q HN 0.364 nan 8.270 nan 0.000 0.426 239 E N -0.292 119.868 120.200 -0.066 0.000 2.435 239 E HA 0.015 4.365 4.350 -0.000 0.000 0.195 239 E C 0.985 177.605 176.600 0.032 0.000 1.029 239 E CA 0.613 56.998 56.400 -0.026 0.000 0.865 239 E CB 0.235 29.906 29.700 -0.049 0.000 0.833 239 E HN 0.309 nan 8.360 nan 0.000 0.510 240 A N 0.492 123.355 122.820 0.072 0.000 2.430 240 A HA 0.077 4.397 4.320 -0.000 0.000 0.243 240 A C 1.622 179.370 177.584 0.273 0.000 1.254 240 A CA -0.160 52.012 52.037 0.225 0.000 0.914 240 A CB 0.230 19.473 19.000 0.404 0.000 0.998 240 A HN -0.096 nan 8.150 nan 0.000 0.515 241 Q N 0.026 119.933 119.800 0.179 0.000 2.119 241 Q HA -0.080 4.260 4.340 -0.000 0.000 0.201 241 Q C 2.324 178.439 176.000 0.191 0.000 0.972 241 Q CA 1.566 57.476 55.803 0.178 0.000 0.847 241 Q CB -0.646 28.163 28.738 0.118 0.000 0.903 241 Q HN 0.658 nan 8.270 nan 0.000 0.433 242 A N 0.837 123.758 122.820 0.168 0.000 1.865 242 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 242 A C 2.265 180.006 177.584 0.261 0.000 1.191 242 A CA 1.223 53.365 52.037 0.176 0.000 0.623 242 A CB -0.849 18.222 19.000 0.119 0.000 0.826 242 A HN 0.333 nan 8.150 nan 0.000 0.444 243 L N -0.820 120.572 121.223 0.282 0.000 1.989 243 L HA -0.270 4.070 4.340 -0.000 0.000 0.211 243 L C 3.168 180.359 176.870 0.535 0.000 1.071 243 L CA 1.319 56.393 54.840 0.389 0.000 0.749 243 L CB -0.601 41.625 42.059 0.279 0.000 0.890 243 L HN 0.478 nan 8.230 nan 0.000 0.431 244 A N -0.549 122.522 122.820 0.417 0.000 1.892 244 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 244 A C 2.149 179.940 177.584 0.346 0.000 1.188 244 A CA 1.996 54.245 52.037 0.352 0.000 0.631 244 A CB -0.566 18.585 19.000 0.252 0.000 0.822 244 A HN 0.547 nan 8.150 nan 0.000 0.447 245 Q N -2.402 117.568 119.800 0.283 0.000 2.119 245 Q HA -0.191 4.149 4.340 -0.000 0.000 0.201 245 Q C 1.888 177.993 176.000 0.175 0.000 0.972 245 Q CA 1.427 57.352 55.803 0.204 0.000 0.847 245 Q CB -0.256 28.584 28.738 0.170 0.000 0.903 245 Q HN 0.893 nan 8.270 nan 0.000 0.433 246 W N 1.157 122.518 121.300 0.102 0.000 2.358 246 W HA -0.193 4.467 4.660 -0.000 0.000 0.303 246 W C 1.725 178.234 176.519 -0.017 0.000 1.208 246 W CA 1.008 58.392 57.345 0.065 0.000 1.274 246 W CB -0.242 29.289 29.460 0.118 0.000 1.138 246 W HN 0.097 nan 8.180 nan 0.000 0.515 247 I N 1.446 121.906 120.570 -0.182 0.000 2.614 247 I HA -0.221 3.949 4.170 -0.000 0.000 0.258 247 I C 2.101 177.858 176.117 -0.600 0.000 1.189 247 I CA 1.685 62.606 61.300 -0.632 0.000 1.462 247 I CB -0.572 36.948 38.000 -0.800 0.000 1.092 247 I HN 0.097 nan 8.210 nan 0.000 0.442 248 E N -0.199 119.744 120.200 -0.429 0.000 2.153 248 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 248 E C 1.025 177.419 176.600 -0.343 0.000 0.988 248 E CA 0.946 57.108 56.400 -0.397 0.000 0.811 248 E CB -0.218 29.341 29.700 -0.235 0.000 0.746 248 E HN 0.340 nan 8.360 nan 0.000 0.466 249 N N 0.881 119.362 118.700 -0.365 0.000 2.389 249 N HA -0.020 4.720 4.740 -0.000 0.000 0.237 249 N C -0.932 174.359 175.510 -0.365 0.000 1.148 249 N CA 0.111 52.977 53.050 -0.306 0.000 0.854 249 N CB 0.190 38.533 38.487 -0.240 0.000 1.115 249 N HN 0.113 nan 8.380 nan 0.000 0.492 250 T N -3.308 110.995 114.554 -0.417 0.000 2.864 250 T HA 0.551 4.901 4.350 -0.000 0.000 0.289 250 T C 0.244 174.771 174.700 -0.289 0.000 1.082 250 T CA -1.038 60.835 62.100 -0.379 0.000 1.009 250 T CB 1.839 70.391 68.868 -0.526 0.000 1.234 250 T HN 0.261 nan 8.240 nan 0.000 0.526 254 Y N 0.805 121.032 120.300 -0.122 0.000 2.320 254 Y HA 0.727 5.277 4.550 -0.000 0.000 0.324 254 Y C 0.543 176.474 175.900 0.051 0.000 1.190 254 Y CA -0.111 57.989 58.100 0.001 0.000 1.215 254 Y CB 1.260 39.761 38.460 0.068 0.000 1.221 254 Y HN 0.916 nan 8.280 nan 0.000 0.486 255 E N 1.537 121.900 120.200 0.272 0.000 2.171 255 E HA 0.733 5.083 4.350 -0.000 0.000 0.271 255 E C -1.506 175.250 176.600 0.261 0.000 0.916 255 E CA -0.855 55.668 56.400 0.205 0.000 0.774 255 E CB 0.990 30.756 29.700 0.109 0.000 1.128 255 E HN 0.728 nan 8.360 nan 0.000 0.403 256 A N 4.863 127.849 122.820 0.277 0.000 2.342 256 A HA 0.469 4.789 4.320 -0.000 0.000 0.323 256 A C -1.135 176.665 177.584 0.359 0.000 1.125 256 A CA -0.560 51.622 52.037 0.242 0.000 0.785 256 A CB 0.701 19.765 19.000 0.107 0.000 1.221 256 A HN 0.814 nan 8.150 nan 0.000 0.463 257 H N 0.419 119.537 119.070 0.080 0.000 2.544 257 H HA 0.429 4.985 4.556 -0.000 0.000 0.342 257 H C 0.209 175.624 175.328 0.145 0.000 1.185 257 H CA -0.252 55.868 56.048 0.120 0.000 1.264 257 H CB 1.366 31.216 29.762 0.147 0.000 1.607 257 H HN 0.834 nan 8.280 nan 0.000 0.550 258 S N 0.521 116.411 115.700 0.317 0.000 3.706 258 S HA -0.187 4.283 4.470 -0.000 0.000 0.363 258 S C 1.238 176.090 174.600 0.419 0.000 0.999 258 S CA 0.861 59.301 58.200 0.400 0.000 1.143 258 S CB -1.306 62.009 63.200 0.193 0.000 0.902 258 S HN 0.948 nan 8.310 nan 0.000 0.476 259 T N -2.517 112.243 114.554 0.342 0.000 3.129 259 T HA 0.205 4.555 4.350 -0.000 0.000 0.251 259 T C 0.093 175.010 174.700 0.362 0.000 1.117 259 T CA 0.075 62.379 62.100 0.341 0.000 1.034 259 T CB -0.261 68.836 68.868 0.381 0.000 0.968 259 T HN 0.412 nan 8.240 nan 0.000 0.526 260 D N 1.783 122.303 120.400 0.200 0.000 2.488 260 D HA 0.183 4.823 4.640 -0.000 0.000 0.238 260 D C -0.163 175.997 176.300 -0.234 0.000 1.138 260 D CA 0.421 54.259 54.000 -0.270 0.000 0.873 260 D CB -0.149 40.057 40.800 -0.989 0.000 1.183 260 D HN 0.365 nan 8.370 nan 0.000 0.458 261 Y N -1.618 118.661 120.300 -0.034 0.000 4.879 261 Y HA -0.259 4.291 4.550 -0.000 0.000 0.247 261 Y C 0.478 176.333 175.900 -0.075 0.000 0.985 261 Y CA 0.271 58.301 58.100 -0.117 0.000 2.000 261 Y CB -2.068 36.221 38.460 -0.284 0.000 1.519 261 Y HN 0.426 nan 8.280 nan 0.000 0.613 262 Q N 0.918 120.702 119.800 -0.027 0.000 2.382 262 Q HA 0.393 4.733 4.340 -0.000 0.000 0.229 262 Q C 0.999 176.795 176.000 -0.340 0.000 1.006 262 Q CA 0.444 56.096 55.803 -0.252 0.000 0.916 262 Q CB 0.907 29.281 28.738 -0.606 0.000 1.235 262 Q HN 0.432 nan 8.270 nan 0.000 0.512 263 T N -2.058 112.366 114.554 -0.216 0.000 2.856 263 T HA 0.129 4.479 4.350 -0.000 0.000 0.306 263 T C 1.136 175.653 174.700 -0.304 0.000 1.062 263 T CA -0.429 61.558 62.100 -0.188 0.000 1.083 263 T CB 0.603 69.399 68.868 -0.120 0.000 0.984 263 T HN 0.736 nan 8.240 nan 0.000 0.542 264 R N 0.738 121.157 120.500 -0.135 0.000 2.152 264 R HA -0.070 4.269 4.340 -0.000 0.000 0.232 264 R C 1.816 178.183 176.300 0.112 0.000 1.117 264 R CA 1.443 57.542 56.100 -0.002 0.000 0.981 264 R CB -1.350 28.817 30.300 -0.223 0.000 0.870 264 R HN 0.648 nan 8.270 nan 0.000 0.451 265 T N 1.229 115.792 114.554 0.016 0.000 2.708 265 T HA -0.063 4.287 4.350 -0.000 0.000 0.266 265 T C 2.076 176.941 174.700 0.276 0.000 1.037 265 T CA 1.572 63.784 62.100 0.187 0.000 1.146 265 T CB -0.275 68.630 68.868 0.061 0.000 0.865 265 T HN 0.515 nan 8.240 nan 0.000 0.435 266 A N 0.597 123.474 122.820 0.095 0.000 1.908 266 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 266 A C 2.032 179.674 177.584 0.097 0.000 1.181 266 A CA 1.466 53.574 52.037 0.119 0.000 0.627 266 A CB -1.014 17.966 19.000 -0.033 0.000 0.818 266 A HN 0.537 nan 8.150 nan 0.000 0.445 267 Y N -2.274 118.116 120.300 0.151 0.000 2.224 267 Y HA -0.195 4.355 4.550 -0.000 0.000 0.289 267 Y C 2.151 178.200 175.900 0.248 0.000 1.146 267 Y CA 0.687 58.843 58.100 0.093 0.000 1.182 267 Y CB -0.911 37.535 38.460 -0.024 0.000 0.983 267 Y HN 0.628 nan 8.280 nan 0.000 0.524 268 W N 1.240 122.767 121.300 0.379 0.000 2.379 268 W HA -0.128 4.532 4.660 -0.000 0.000 0.307 268 W C 2.102 178.840 176.519 0.365 0.000 1.200 268 W CA 1.966 59.536 57.345 0.375 0.000 1.297 268 W CB -0.197 29.433 29.460 0.285 0.000 1.140 268 W HN 0.066 nan 8.180 nan 0.000 0.507 269 E N 0.222 120.789 120.200 0.612 0.000 2.118 269 E HA -0.262 4.088 4.350 -0.000 0.000 0.195 269 E C 2.186 178.976 176.600 0.317 0.000 0.992 269 E CA 1.719 58.411 56.400 0.488 0.000 0.804 269 E CB -0.570 29.488 29.700 0.596 0.000 0.741 269 E HN 0.338 nan 8.360 nan 0.000 0.458 270 L N 0.222 121.549 121.223 0.173 0.000 2.017 270 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 270 L C 2.428 179.387 176.870 0.149 0.000 1.073 270 L CA 0.877 55.730 54.840 0.021 0.000 0.745 270 L CB -0.316 41.671 42.059 -0.120 0.000 0.894 270 L HN 0.071 nan 8.230 nan 0.000 0.432 271 V N -0.381 119.546 119.914 0.022 0.000 2.358 271 V HA -0.283 3.836 4.120 -0.000 0.000 0.246 271 V C 2.631 178.559 176.094 -0.277 0.000 1.047 271 V CA 1.721 63.934 62.300 -0.145 0.000 1.035 271 V CB -0.718 30.913 31.823 -0.320 0.000 0.658 271 V HN 0.459 nan 8.190 nan 0.000 0.452 272 R N 0.388 120.664 120.500 -0.372 0.000 2.103 272 R HA -0.202 4.138 4.340 -0.000 0.000 0.242 272 R C 1.293 177.338 176.300 -0.425 0.000 1.142 272 R CA 2.060 57.923 56.100 -0.394 0.000 0.960 272 R CB -0.256 29.817 30.300 -0.378 0.000 0.858 272 R HN 0.477 nan 8.270 nan 0.000 0.439 273 D N -0.454 119.821 120.400 -0.208 0.000 2.325 273 D HA 0.021 4.661 4.640 -0.000 0.000 0.225 273 D C -0.237 175.822 176.300 -0.403 0.000 1.096 273 D CA 0.275 54.158 54.000 -0.195 0.000 0.844 273 D CB 0.137 41.142 40.800 0.342 0.000 0.925 273 D HN 0.356 nan 8.370 nan 0.000 0.513 274 H N -1.594 117.418 119.070 -0.097 0.000 3.257 274 H HA -0.181 4.375 4.556 -0.000 0.000 0.222 274 H C -0.382 174.720 175.328 -0.376 0.000 1.143 274 H CA 0.301 56.237 56.048 -0.187 0.000 1.152 274 H CB -2.418 27.235 29.762 -0.181 0.000 1.188 274 H HN 0.204 nan 8.280 nan 0.000 0.315 275 F N 0.966 121.006 119.950 0.151 0.000 2.619 275 F HA 0.475 5.002 4.527 -0.000 0.000 0.350 275 F C 1.405 177.196 175.800 -0.016 0.000 1.259 275 F CA 0.511 58.568 58.000 0.095 0.000 1.204 275 F CB 0.506 39.513 39.000 0.011 0.000 1.556 275 F HN 0.245 nan 8.300 nan 0.000 0.650 276 A N 2.253 125.055 122.820 -0.031 0.000 2.220 276 A HA 0.374 4.693 4.320 -0.000 0.000 0.211 276 A C 0.629 178.179 177.584 -0.056 0.000 1.176 276 A CA 0.188 52.127 52.037 -0.164 0.000 0.834 276 A CB -0.054 18.598 19.000 -0.580 0.000 0.868 276 A HN 0.523 nan 8.150 nan 0.000 0.488 277 I N 1.374 121.953 120.570 0.015 0.000 2.382 277 I HA 0.342 4.512 4.170 -0.000 0.000 0.285 277 I C -1.245 174.930 176.117 0.096 0.000 1.007 277 I CA -0.328 60.994 61.300 0.037 0.000 1.142 277 I CB 1.612 39.626 38.000 0.023 0.000 1.289 277 I HN 0.021 nan 8.210 nan 0.000 0.453 278 L N 6.995 128.276 121.223 0.098 0.000 2.316 278 L HA 0.464 4.804 4.340 -0.000 0.000 0.280 278 L C -0.142 176.769 176.870 0.069 0.000 1.006 278 L CA -0.726 54.208 54.840 0.157 0.000 0.836 278 L CB 1.160 43.380 42.059 0.269 0.000 1.221 278 L HN 0.482 nan 8.230 nan 0.000 0.418 279 K N 2.780 123.210 120.400 0.049 0.000 2.297 279 K HA 0.457 4.777 4.320 -0.000 0.000 0.286 279 K C -0.677 175.900 176.600 -0.038 0.000 1.053 279 K CA -0.261 55.993 56.287 -0.053 0.000 0.940 279 K CB 2.329 34.733 32.500 -0.160 0.000 1.019 279 K HN 0.284 nan 8.250 nan 0.000 0.475 280 V N 2.022 121.829 119.914 -0.178 0.000 2.864 280 V HA 0.747 4.867 4.120 -0.000 0.000 0.314 280 V C 0.092 176.100 176.094 -0.144 0.000 1.073 280 V CA 0.083 62.256 62.300 -0.213 0.000 0.956 280 V CB 1.776 33.219 31.823 -0.632 0.000 1.023 280 V HN 0.969 nan 8.190 nan 0.000 0.435 281 G N 4.251 112.991 108.800 -0.100 0.000 3.302 281 G HA2 0.217 4.177 3.960 -0.000 0.000 0.137 281 G HA3 0.217 4.177 3.960 -0.000 0.000 0.137 281 G C -1.780 173.096 174.900 -0.039 0.000 1.353 281 G CA 0.740 45.816 45.100 -0.042 0.000 0.965 281 G HN 0.537 nan 8.290 nan 0.000 0.564 282 P HA -0.106 nan 4.420 nan 0.000 0.216 282 P C 2.162 179.436 177.300 -0.044 0.000 1.154 282 P CA 2.686 65.814 63.100 0.046 0.000 0.865 282 P CB -0.106 31.677 31.700 0.138 0.000 0.789 283 A N -1.087 121.487 122.820 -0.411 0.000 1.940 283 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 283 A C 2.242 179.771 177.584 -0.091 0.000 1.176 283 A CA 1.485 53.225 52.037 -0.496 0.000 0.631 283 A CB -1.593 16.920 19.000 -0.811 0.000 0.814 283 A HN 0.135 nan 8.150 nan 0.000 0.446 284 L N -0.398 120.762 121.223 -0.105 0.000 2.005 284 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 284 L C 2.983 179.820 176.870 -0.054 0.000 1.072 284 L CA 1.874 56.664 54.840 -0.084 0.000 0.744 284 L CB -0.907 41.083 42.059 -0.116 0.000 0.895 284 L HN 0.602 nan 8.230 nan 0.000 0.433 285 T N -2.883 111.663 114.554 -0.014 0.000 2.951 285 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 285 T C 1.682 176.426 174.700 0.073 0.000 1.073 285 T CA 0.599 62.690 62.100 -0.015 0.000 1.134 285 T CB -0.609 68.306 68.868 0.079 0.000 0.884 285 T HN 0.165 nan 8.240 nan 0.000 0.479 286 F N 2.809 122.764 119.950 0.008 0.000 2.095 286 F HA 0.064 4.591 4.527 -0.000 0.000 0.298 286 F C 2.616 178.405 175.800 -0.019 0.000 1.104 286 F CA 1.060 59.085 58.000 0.043 0.000 1.232 286 F CB -0.735 38.367 39.000 0.169 0.000 0.987 286 F HN 0.242 nan 8.300 nan 0.000 0.475 287 A N 0.231 123.181 122.820 0.216 0.000 1.898 287 A HA -0.153 4.166 4.320 -0.000 0.000 0.216 287 A C 2.134 179.662 177.584 -0.092 0.000 1.181 287 A CA 1.600 53.682 52.037 0.076 0.000 0.620 287 A CB -1.277 17.754 19.000 0.052 0.000 0.819 287 A HN 0.553 nan 8.150 nan 0.000 0.442 288 L N -0.393 120.727 121.223 -0.171 0.000 2.042 288 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 288 L C 2.458 179.135 176.870 -0.321 0.000 1.076 288 L CA 2.350 57.000 54.840 -0.316 0.000 0.749 288 L CB -0.409 41.338 42.059 -0.519 0.000 0.893 288 L HN 0.373 nan 8.230 nan 0.000 0.432 289 R N 0.212 120.557 120.500 -0.259 0.000 2.075 289 R HA -0.173 4.167 4.340 -0.000 0.000 0.232 289 R C 2.089 178.167 176.300 -0.369 0.000 1.126 289 R CA 2.072 58.041 56.100 -0.218 0.000 0.963 289 R CB -0.458 29.734 30.300 -0.180 0.000 0.858 289 R HN 0.602 nan 8.270 nan 0.000 0.435 290 E N 0.028 120.010 120.200 -0.363 0.000 2.085 290 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 290 E C 1.971 178.543 176.600 -0.047 0.000 0.994 290 E CA 1.393 57.665 56.400 -0.213 0.000 0.801 290 E CB -0.152 29.470 29.700 -0.130 0.000 0.743 290 E HN 0.443 nan 8.360 nan 0.000 0.453 291 A N 1.500 124.275 122.820 -0.074 0.000 1.883 291 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 291 A C 2.144 179.726 177.584 -0.003 0.000 1.186 291 A CA 1.269 53.277 52.037 -0.047 0.000 0.624 291 A CB -0.477 18.455 19.000 -0.114 0.000 0.822 291 A HN 0.125 nan 8.150 nan 0.000 0.444 292 I N -1.305 119.259 120.570 -0.009 0.000 2.226 292 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 292 I C 2.331 178.602 176.117 0.256 0.000 1.100 292 I CA 1.254 62.609 61.300 0.093 0.000 1.374 292 I CB -1.592 36.467 38.000 0.098 0.000 1.057 292 I HN 0.241 nan 8.210 nan 0.000 0.413 293 F N 1.411 121.359 119.950 -0.003 0.000 2.113 293 F HA -0.105 4.422 4.527 -0.000 0.000 0.297 293 F C 2.679 178.445 175.800 -0.055 0.000 1.103 293 F CA 0.981 58.971 58.000 -0.016 0.000 1.248 293 F CB -1.405 37.589 39.000 -0.009 0.000 0.999 293 F HN 0.034 nan 8.300 nan 0.000 0.475 294 A N 0.350 123.273 122.820 0.172 0.000 1.892 294 A HA -0.202 4.117 4.320 -0.000 0.000 0.218 294 A C 2.346 179.888 177.584 -0.070 0.000 1.188 294 A CA 1.882 53.949 52.037 0.049 0.000 0.631 294 A CB -1.256 17.817 19.000 0.121 0.000 0.822 294 A HN 0.391 nan 8.150 nan 0.000 0.447 295 L N -1.030 120.187 121.223 -0.009 0.000 2.131 295 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 295 L C 3.047 179.878 176.870 -0.065 0.000 1.092 295 L CA 0.934 55.756 54.840 -0.030 0.000 0.759 295 L CB -0.511 41.548 42.059 0.001 0.000 0.903 295 L HN 0.458 nan 8.230 nan 0.000 0.435 296 A N -0.549 122.237 122.820 -0.057 0.000 1.930 296 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 296 A C 2.236 179.723 177.584 -0.161 0.000 1.175 296 A CA 1.277 53.262 52.037 -0.087 0.000 0.627 296 A CB -0.334 18.614 19.000 -0.086 0.000 0.815 296 A HN 0.442 nan 8.150 nan 0.000 0.443 297 Q N -0.497 119.153 119.800 -0.249 0.000 2.046 297 Q HA -0.092 4.248 4.340 -0.000 0.000 0.200 297 Q C 2.025 177.786 176.000 -0.399 0.000 0.975 297 Q CA 1.475 57.051 55.803 -0.378 0.000 0.836 297 Q CB -0.312 28.042 28.738 -0.639 0.000 0.896 297 Q HN 0.726 nan 8.270 nan 0.000 0.428 298 I N 0.896 121.219 120.570 -0.412 0.000 2.118 298 I HA -0.320 3.850 4.170 -0.000 0.000 0.241 298 I C 2.552 178.604 176.117 -0.107 0.000 1.070 298 I CA 1.357 62.528 61.300 -0.214 0.000 1.327 298 I CB -0.340 37.596 38.000 -0.108 0.000 1.034 298 I HN 0.317 nan 8.210 nan 0.000 0.405 299 E N 0.683 120.829 120.200 -0.091 0.000 2.118 299 E HA -0.286 4.064 4.350 -0.000 0.000 0.195 299 E C 2.154 178.723 176.600 -0.053 0.000 0.992 299 E CA 1.324 57.692 56.400 -0.052 0.000 0.804 299 E CB -0.004 29.673 29.700 -0.039 0.000 0.741 299 E HN 0.562 nan 8.360 nan 0.000 0.458 300 Q N -0.251 119.502 119.800 -0.078 0.000 2.170 300 Q HA -0.176 4.164 4.340 -0.000 0.000 0.203 300 Q C 1.719 177.694 176.000 -0.041 0.000 0.976 300 Q CA 1.564 57.329 55.803 -0.063 0.000 0.858 300 Q CB 0.086 28.775 28.738 -0.081 0.000 0.907 300 Q HN 0.377 nan 8.270 nan 0.000 0.433 301 E N -0.540 119.637 120.200 -0.040 0.000 2.290 301 E HA -0.040 4.310 4.350 -0.000 0.000 0.197 301 E C 1.504 178.103 176.600 -0.003 0.000 0.948 301 E CA 0.049 56.441 56.400 -0.012 0.000 0.895 301 E CB 0.246 29.950 29.700 0.006 0.000 0.865 301 E HN 0.098 nan 8.360 nan 0.000 0.486 302 L N 0.896 122.115 121.223 -0.007 0.000 2.270 302 L HA 0.104 4.444 4.340 -0.000 0.000 0.210 302 L C 0.435 177.306 176.870 0.001 0.000 1.104 302 L CA 0.824 55.666 54.840 0.002 0.000 0.804 302 L CB 0.379 42.441 42.059 0.005 0.000 0.937 302 L HN -0.047 nan 8.230 nan 0.000 0.450 303 I N -0.042 120.525 120.570 -0.005 0.000 2.577 303 I HA 0.346 4.516 4.170 -0.000 0.000 0.305 303 I C 0.637 176.753 176.117 -0.002 0.000 0.986 303 I CA -0.833 60.466 61.300 -0.002 0.000 1.189 303 I CB 1.038 39.036 38.000 -0.004 0.000 1.355 303 I HN 0.012 nan 8.210 nan 0.000 0.476 304 A N 7.480 130.300 122.820 0.001 0.000 2.445 304 A HA 0.313 4.633 4.320 -0.000 0.000 0.242 304 A C -1.356 176.227 177.584 -0.001 0.000 1.075 304 A CA -0.776 51.261 52.037 0.001 0.000 0.777 304 A CB -0.419 18.583 19.000 0.003 0.000 1.013 304 A HN 0.614 nan 8.150 nan 0.000 0.493 305 P HA -0.219 nan 4.420 nan 0.000 0.216 305 P C 1.021 178.320 177.300 -0.002 0.000 1.150 305 P CA 1.652 64.749 63.100 -0.003 0.000 0.837 305 P CB 0.011 31.709 31.700 -0.003 0.000 0.786 306 E N -0.527 119.674 120.200 0.001 0.000 2.409 306 E HA -0.123 4.227 4.350 -0.000 0.000 0.198 306 E C 0.940 177.543 176.600 0.004 0.000 1.024 306 E CA 0.846 57.247 56.400 0.003 0.000 0.861 306 E CB -0.775 28.928 29.700 0.004 0.000 0.788 306 E HN 0.270 nan 8.360 nan 0.000 0.521 307 N N 0.667 119.369 118.700 0.003 0.000 2.250 307 N HA 0.076 4.816 4.740 -0.000 0.000 0.190 307 N C 0.100 175.612 175.510 0.004 0.000 1.116 307 N CA -0.085 52.968 53.050 0.005 0.000 0.881 307 N CB 0.362 38.852 38.487 0.006 0.000 1.006 307 N HN 0.076 nan 8.380 nan 0.000 0.491 308 R N 1.128 121.628 120.500 -0.001 0.000 2.585 308 R HA -0.002 4.337 4.340 -0.000 0.000 0.275 308 R C 1.552 177.851 176.300 -0.001 0.000 1.018 308 R CA 0.210 56.307 56.100 -0.005 0.000 1.072 308 R CB 0.457 30.749 30.300 -0.013 0.000 0.953 308 R HN 0.179 nan 8.270 nan 0.000 0.419 309 S N 2.088 117.789 115.700 0.001 0.000 2.423 309 S HA -0.059 4.411 4.470 -0.000 0.000 0.231 309 S C 1.507 176.110 174.600 0.005 0.000 1.014 309 S CA 0.458 58.664 58.200 0.011 0.000 0.965 309 S CB -0.106 63.105 63.200 0.020 0.000 0.785 309 S HN 0.975 nan 8.310 nan 0.000 0.495 310 G N 0.766 109.559 108.800 -0.011 0.000 2.225 310 G HA2 -0.373 3.586 3.960 -0.000 0.000 0.267 310 G HA3 -0.373 3.586 3.960 -0.000 0.000 0.267 310 G C 0.966 175.850 174.900 -0.026 0.000 1.024 310 G CA 0.690 45.776 45.100 -0.023 0.000 0.784 310 G HN 1.365 nan 8.290 nan 0.000 0.507 311 C N -1.280 118.008 119.300 -0.020 0.000 2.457 311 C HA 0.287 4.747 4.460 -0.000 0.000 0.278 311 C C 2.672 177.632 174.990 -0.050 0.000 1.309 311 C CA 1.209 60.227 59.018 -0.000 0.000 1.735 311 C CB -1.079 26.692 27.740 0.051 0.000 1.992 311 C HN 0.508 nan 8.230 nan 0.000 0.493 312 L N 1.749 122.896 121.223 -0.126 0.000 2.042 312 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 312 L C 3.285 180.040 176.870 -0.193 0.000 1.076 312 L CA 1.915 56.608 54.840 -0.246 0.000 0.749 312 L CB -0.990 40.854 42.059 -0.358 0.000 0.893 312 L HN 0.484 nan 8.230 nan 0.000 0.432 313 A N -0.399 122.343 122.820 -0.130 0.000 1.933 313 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 313 A C 2.336 179.875 177.584 -0.075 0.000 1.175 313 A CA 1.557 53.537 52.037 -0.094 0.000 0.628 313 A CB -0.696 18.267 19.000 -0.062 0.000 0.814 313 A HN 0.206 nan 8.150 nan 0.000 0.444 314 V N 0.228 120.108 119.914 -0.057 0.000 2.295 314 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 314 V C 2.427 178.475 176.094 -0.077 0.000 1.049 314 V CA 2.089 64.366 62.300 -0.039 0.000 1.024 314 V CB -0.686 31.140 31.823 0.004 0.000 0.648 314 V HN 0.582 nan 8.190 nan 0.000 0.447 315 I N -0.102 120.412 120.570 -0.094 0.000 2.127 315 I HA -0.311 3.859 4.170 -0.000 0.000 0.241 315 I C 2.623 178.620 176.117 -0.199 0.000 1.075 315 I CA 2.174 63.382 61.300 -0.152 0.000 1.334 315 I CB -0.390 37.524 38.000 -0.144 0.000 1.040 315 I HN 0.408 nan 8.210 nan 0.000 0.405 316 E N 0.825 120.915 120.200 -0.184 0.000 2.058 316 E HA -0.306 4.044 4.350 -0.000 0.000 0.194 316 E C 2.148 178.678 176.600 -0.117 0.000 0.997 316 E CA 1.611 57.902 56.400 -0.182 0.000 0.801 316 E CB -0.036 29.565 29.700 -0.164 0.000 0.746 316 E HN 0.425 nan 8.360 nan 0.000 0.450 317 E N 0.013 120.165 120.200 -0.080 0.000 2.051 317 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 317 E C 0.736 177.308 176.600 -0.046 0.000 0.991 317 E CA 0.719 57.098 56.400 -0.036 0.000 0.799 317 E CB 0.163 29.849 29.700 -0.022 0.000 0.748 317 E HN 0.043 nan 8.360 nan 0.000 0.449 321 D N 1.228 121.702 120.400 0.124 0.000 2.333 321 D HA 0.035 4.675 4.640 -0.000 0.000 0.208 321 D C 0.265 176.615 176.300 0.082 0.000 0.984 321 D CA 0.883 54.935 54.000 0.087 0.000 0.873 321 D CB 0.515 41.354 40.800 0.065 0.000 0.935 321 D HN 0.382 nan 8.370 nan 0.000 0.521 322 E N 0.664 120.942 120.200 0.131 0.000 3.651 322 E HA 0.116 4.466 4.350 -0.000 0.000 0.220 322 E C -1.978 174.708 176.600 0.144 0.000 1.222 322 E CA -1.182 55.301 56.400 0.137 0.000 1.114 322 E CB 1.697 31.549 29.700 0.255 0.000 1.278 322 E HN 0.040 nan 8.360 nan 0.000 0.412 323 P HA -0.172 nan 4.420 nan 0.000 0.245 323 P C 1.261 178.155 177.300 -0.676 0.000 1.212 323 P CA 0.518 63.297 63.100 -0.536 0.000 0.774 323 P CB 0.226 31.447 31.700 -0.797 0.000 0.999 324 Q N 0.076 119.618 119.800 -0.429 0.000 2.096 324 Q HA -0.229 4.111 4.340 -0.000 0.000 0.208 324 Q C 1.210 176.908 176.000 -0.502 0.000 0.993 324 Q CA 1.770 57.255 55.803 -0.530 0.000 0.862 324 Q CB -1.547 26.801 28.738 -0.650 0.000 0.915 324 Q HN 0.205 nan 8.270 nan 0.000 0.416 325 Y N -0.141 120.070 120.300 -0.149 0.000 2.571 325 Y HA -0.067 4.482 4.550 -0.000 0.000 0.294 325 Y C 1.806 177.670 175.900 -0.059 0.000 1.141 325 Y CA 0.714 58.685 58.100 -0.216 0.000 1.308 325 Y CB -0.299 37.931 38.460 -0.384 0.000 1.002 325 Y HN 0.517 nan 8.280 nan 0.000 0.551 326 W N -0.909 120.419 121.300 0.047 0.000 2.873 326 W HA 0.258 4.917 4.660 -0.000 0.000 0.282 326 W C 1.557 177.994 176.519 -0.137 0.000 1.118 326 W CA -0.077 57.166 57.345 -0.171 0.000 1.480 326 W CB -0.577 28.769 29.460 -0.189 0.000 0.954 326 W HN -0.146 nan 8.180 nan 0.000 0.591 327 K N 2.693 122.778 120.400 -0.525 0.000 2.152 327 K HA -0.233 4.087 4.320 -0.000 0.000 0.206 327 K C 1.965 178.470 176.600 -0.159 0.000 1.048 327 K CA 2.313 58.241 56.287 -0.598 0.000 0.933 327 K CB -0.192 31.886 32.500 -0.704 0.000 0.721 327 K HN 0.285 nan 8.250 nan 0.000 0.447 328 K N -1.426 118.918 120.400 -0.093 0.000 2.487 328 K HA -0.068 4.251 4.320 -0.000 0.000 0.192 328 K C 0.783 177.263 176.600 -0.199 0.000 1.027 328 K CA 0.657 56.857 56.287 -0.144 0.000 1.054 328 K CB 0.118 32.486 32.500 -0.219 0.000 0.824 328 K HN 0.111 nan 8.250 nan 0.000 0.510 329 Y N -0.414 119.844 120.300 -0.070 0.000 2.558 329 Y HA 0.212 4.762 4.550 -0.000 0.000 0.273 329 Y C 0.443 176.385 175.900 0.071 0.000 1.100 329 Y CA -0.308 57.775 58.100 -0.028 0.000 1.276 329 Y CB 0.362 38.687 38.460 -0.224 0.000 1.196 329 Y HN -0.110 nan 8.280 nan 0.000 0.527 330 Y N 0.482 120.941 120.300 0.265 0.000 2.545 330 Y HA 0.497 5.046 4.550 -0.000 0.000 0.324 330 Y C 0.626 176.576 175.900 0.082 0.000 1.220 330 Y CA -2.286 55.871 58.100 0.094 0.000 1.290 330 Y CB 0.267 38.844 38.460 0.196 0.000 1.355 330 Y HN -0.235 nan 8.280 nan 0.000 0.516 331 R N -0.596 120.020 120.500 0.194 0.000 2.637 331 R HA 0.195 4.535 4.340 -0.000 0.000 0.269 331 R C 1.152 177.554 176.300 0.171 0.000 1.089 331 R CA 0.514 56.690 56.100 0.126 0.000 1.177 331 R CB 0.440 30.770 30.300 0.050 0.000 1.091 331 R HN 0.843 nan 8.270 nan 0.000 0.540 332 T N -1.611 113.022 114.554 0.130 0.000 2.894 332 T HA 0.009 4.359 4.350 -0.000 0.000 0.258 332 T C 1.301 176.085 174.700 0.139 0.000 1.043 332 T CA 0.322 62.506 62.100 0.139 0.000 1.141 332 T CB -0.355 68.572 68.868 0.098 0.000 0.873 332 T HN 0.646 nan 8.240 nan 0.000 0.449 333 G N 0.644 109.507 108.800 0.104 0.000 2.368 333 G HA2 0.250 4.210 3.960 -0.000 0.000 0.233 333 G HA3 0.250 4.210 3.960 -0.000 0.000 0.233 333 G C 0.237 175.215 174.900 0.130 0.000 1.267 333 G CA -0.359 44.807 45.100 0.110 0.000 0.873 333 G HN 0.249 nan 8.290 nan 0.000 0.539 334 F N 2.514 122.483 119.950 0.031 0.000 2.084 334 F HA -0.128 4.398 4.527 -0.000 0.000 0.296 334 F C 2.318 178.113 175.800 -0.009 0.000 1.111 334 F CA 2.039 60.053 58.000 0.024 0.000 1.224 334 F CB -0.243 38.769 39.000 0.020 0.000 0.991 334 F HN 0.532 nan 8.300 nan 0.000 0.471 335 N N 0.132 118.744 118.700 -0.148 0.000 2.188 335 N HA -0.173 4.566 4.740 -0.000 0.000 0.184 335 N C 1.441 176.816 175.510 -0.225 0.000 1.018 335 N CA 1.557 54.452 53.050 -0.259 0.000 0.858 335 N CB -0.334 38.119 38.487 -0.057 0.000 0.989 335 N HN 0.196 nan 8.380 nan 0.000 0.426 336 D N -0.759 119.565 120.400 -0.126 0.000 2.123 336 D HA -0.167 4.473 4.640 -0.000 0.000 0.196 336 D C 2.059 178.247 176.300 -0.188 0.000 0.992 336 D CA 1.469 55.404 54.000 -0.107 0.000 0.833 336 D CB -0.617 40.162 40.800 -0.034 0.000 0.954 336 D HN 0.425 nan 8.370 nan 0.000 0.455 337 S N -0.020 115.556 115.700 -0.207 0.000 2.399 337 S HA -0.095 4.375 4.470 -0.000 0.000 0.231 337 S C 2.181 176.465 174.600 -0.527 0.000 1.022 337 S CA 0.593 58.622 58.200 -0.285 0.000 0.983 337 S CB -0.544 62.589 63.200 -0.112 0.000 0.803 337 S HN 0.260 nan 8.310 nan 0.000 0.480 338 L N 0.547 121.448 121.223 -0.537 0.000 2.072 338 L HA 0.051 4.391 4.340 -0.000 0.000 0.205 338 L C 2.667 179.279 176.870 -0.430 0.000 1.079 338 L CA 0.927 55.448 54.840 -0.531 0.000 0.752 338 L CB -0.623 41.119 42.059 -0.528 0.000 0.906 338 L HN 0.309 nan 8.230 nan 0.000 0.436 339 L N -0.337 120.707 121.223 -0.298 0.000 2.046 339 L HA -0.231 4.108 4.340 -0.000 0.000 0.208 339 L C 2.293 179.011 176.870 -0.254 0.000 1.077 339 L CA 1.163 55.927 54.840 -0.127 0.000 0.747 339 L CB -0.657 41.392 42.059 -0.017 0.000 0.896 339 L HN 0.298 nan 8.230 nan 0.000 0.432 340 D N 0.347 120.470 120.400 -0.462 0.000 2.084 340 D HA -0.166 4.474 4.640 -0.000 0.000 0.194 340 D C 2.274 177.894 176.300 -1.133 0.000 0.990 340 D CA 1.209 54.690 54.000 -0.866 0.000 0.826 340 D CB -0.226 39.857 40.800 -1.194 0.000 0.971 340 D HN 0.255 nan 8.370 nan 0.000 0.453 341 I N 0.708 120.685 120.570 -0.988 0.000 2.185 341 I HA -0.330 3.839 4.170 -0.000 0.000 0.246 341 I C 2.497 178.328 176.117 -0.477 0.000 1.088 341 I CA 1.395 62.302 61.300 -0.656 0.000 1.347 341 I CB -0.011 37.559 38.000 -0.717 0.000 1.041 341 I HN -0.033 nan 8.210 nan 0.000 0.415 342 R N -0.971 119.190 120.500 -0.565 0.000 2.062 342 R HA -0.082 4.258 4.340 -0.000 0.000 0.226 342 R C 1.321 177.170 176.300 -0.752 0.000 1.125 342 R CA 1.313 56.989 56.100 -0.706 0.000 0.966 342 R CB -0.029 29.519 30.300 -1.253 0.000 0.861 342 R HN 0.328 nan 8.270 nan 0.000 0.433 343 Y N -1.128 119.069 120.300 -0.172 0.000 2.563 343 Y HA 0.266 4.816 4.550 -0.000 0.000 0.250 343 Y C 0.414 176.356 175.900 0.071 0.000 1.126 343 Y CA -0.700 57.350 58.100 -0.084 0.000 1.231 343 Y CB 0.444 38.880 38.460 -0.040 0.000 1.288 343 Y HN -0.145 nan 8.280 nan 0.000 0.537 344 S N 1.029 116.784 115.700 0.091 0.000 2.537 344 S HA 0.024 4.494 4.470 -0.000 0.000 0.286 344 S C 1.275 176.120 174.600 0.408 0.000 1.299 344 S CA -0.372 57.953 58.200 0.209 0.000 1.067 344 S CB 0.371 63.636 63.200 0.108 0.000 0.864 344 S HN 0.289 nan 8.310 nan 0.000 0.494 345 L N 5.413 126.795 121.223 0.266 0.000 2.129 345 L HA -0.059 4.281 4.340 -0.000 0.000 0.212 345 L C 2.789 179.884 176.870 0.375 0.000 1.087 345 L CA 1.900 56.715 54.840 -0.042 0.000 0.757 345 L CB -1.672 40.123 42.059 -0.440 0.000 0.896 345 L HN 0.875 nan 8.230 nan 0.000 0.434 346 S N -0.650 115.382 115.700 0.553 0.000 2.402 346 S HA -0.257 4.213 4.470 -0.000 0.000 0.233 346 S C 1.010 175.903 174.600 0.488 0.000 1.030 346 S CA 1.268 59.835 58.200 0.612 0.000 1.003 346 S CB -0.449 63.153 63.200 0.670 0.000 0.813 346 S HN 0.681 nan 8.310 nan 0.000 0.477 347 D N -0.649 120.039 120.400 0.481 0.000 2.723 347 D HA -0.144 4.496 4.640 -0.000 0.000 0.236 347 D C 0.629 177.112 176.300 0.305 0.000 1.138 347 D CA 0.494 54.724 54.000 0.384 0.000 0.676 347 D CB -0.840 40.209 40.800 0.414 0.000 1.069 347 D HN 0.301 nan 8.370 nan 0.000 0.430 348 R N 0.333 121.044 120.500 0.351 0.000 2.237 348 R HA 0.048 4.387 4.340 -0.000 0.000 0.219 348 R C 2.322 178.879 176.300 0.428 0.000 1.080 348 R CA 0.732 57.044 56.100 0.354 0.000 0.995 348 R CB -0.701 29.671 30.300 0.120 0.000 0.875 348 R HN 0.629 nan 8.270 nan 0.000 0.462 349 I N 2.240 122.943 120.570 0.221 0.000 2.423 349 I HA -0.316 3.854 4.170 -0.000 0.000 0.254 349 I C 2.491 178.584 176.117 -0.039 0.000 1.151 349 I CA 1.230 62.540 61.300 0.017 0.000 1.421 349 I CB -0.030 37.856 38.000 -0.191 0.000 1.079 349 I HN 0.132 nan 8.210 nan 0.000 0.431 350 R N -0.131 120.420 120.500 0.084 0.000 2.200 350 R HA -0.227 4.113 4.340 -0.000 0.000 0.234 350 R C 1.515 177.776 176.300 -0.065 0.000 1.127 350 R CA 1.810 57.970 56.100 0.100 0.000 0.989 350 R CB -0.931 29.373 30.300 0.006 0.000 0.869 350 R HN 0.395 nan 8.270 nan 0.000 0.459 351 Y N -0.697 119.608 120.300 0.008 0.000 2.546 351 Y HA 0.035 4.585 4.550 -0.000 0.000 0.287 351 Y C 0.751 176.386 175.900 -0.442 0.000 1.158 351 Y CA 0.466 58.375 58.100 -0.320 0.000 1.307 351 Y CB 0.141 38.180 38.460 -0.702 0.000 1.036 351 Y HN 0.059 nan 8.280 nan 0.000 0.532 352 Y N -4.042 116.226 120.300 -0.052 0.000 2.442 352 Y HA 0.051 4.601 4.550 -0.000 0.000 0.250 352 Y C 1.288 177.172 175.900 -0.027 0.000 1.113 352 Y CA -1.013 57.058 58.100 -0.048 0.000 1.273 352 Y CB -0.497 37.875 38.460 -0.146 0.000 1.138 352 Y HN 0.071 nan 8.280 nan 0.000 0.522 353 W N 1.456 122.915 121.300 0.264 0.000 2.342 353 W HA -0.142 4.518 4.660 -0.000 0.000 0.297 353 W C -0.638 175.979 176.519 0.164 0.000 1.213 353 W CA 0.851 58.332 57.345 0.227 0.000 1.251 353 W CB -1.620 28.012 29.460 0.287 0.000 1.136 353 W HN 0.068 nan 8.180 nan 0.000 0.526 354 P HA -0.168 nan 4.420 nan 0.000 0.226 354 P C 0.375 177.783 177.300 0.180 0.000 1.153 354 P CA 1.213 64.420 63.100 0.178 0.000 0.777 354 P CB -0.303 31.455 31.700 0.097 0.000 0.794 355 H N 0.582 119.738 119.070 0.142 0.000 3.034 355 H HA -0.008 4.548 4.556 -0.000 0.000 0.324 355 H C 1.557 176.965 175.328 0.132 0.000 1.015 355 H CA 0.748 56.878 56.048 0.136 0.000 1.429 355 H CB 0.881 30.749 29.762 0.177 0.000 1.429 355 H HN -0.055 nan 8.280 nan 0.000 0.585 356 S N 4.507 120.155 115.700 -0.086 0.000 2.383 356 S HA -0.152 4.318 4.470 -0.000 0.000 0.229 356 S C 2.077 176.787 174.600 0.182 0.000 1.030 356 S CA 1.317 59.540 58.200 0.039 0.000 1.002 356 S CB 0.054 63.221 63.200 -0.055 0.000 0.829 356 S HN 0.766 nan 8.310 nan 0.000 0.467 357 R N 0.002 120.717 120.500 0.358 0.000 2.096 357 R HA 0.062 4.402 4.340 -0.000 0.000 0.235 357 R C 2.285 178.724 176.300 0.231 0.000 1.127 357 R CA 1.698 57.968 56.100 0.284 0.000 0.968 357 R CB -0.373 30.100 30.300 0.290 0.000 0.861 357 R HN 0.495 nan 8.270 nan 0.000 0.440 358 I N 0.346 121.090 120.570 0.291 0.000 2.277 358 I HA -0.231 3.939 4.170 -0.000 0.000 0.243 358 I C 2.444 178.724 176.117 0.272 0.000 1.094 358 I CA 1.030 62.477 61.300 0.244 0.000 1.393 358 I CB -0.197 37.942 38.000 0.233 0.000 1.078 358 I HN 0.071 nan 8.210 nan 0.000 0.417 359 K N 1.128 121.691 120.400 0.271 0.000 2.044 359 K HA -0.237 4.082 4.320 -0.000 0.000 0.210 359 K C 1.946 178.641 176.600 0.159 0.000 1.049 359 K CA 1.980 58.398 56.287 0.218 0.000 0.927 359 K CB -0.036 32.570 32.500 0.177 0.000 0.713 359 K HN 0.201 nan 8.250 nan 0.000 0.443 360 N N 0.022 118.805 118.700 0.138 0.000 2.120 360 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 360 N C 1.833 177.401 175.510 0.097 0.000 1.024 360 N CA 1.784 54.897 53.050 0.104 0.000 0.852 360 N CB -0.406 38.135 38.487 0.091 0.000 1.003 360 N HN 0.358 nan 8.380 nan 0.000 0.424 361 S N -0.285 115.481 115.700 0.111 0.000 2.395 361 S HA 0.009 4.479 4.470 -0.000 0.000 0.225 361 S C 2.155 176.813 174.600 0.097 0.000 1.027 361 S CA 0.633 58.887 58.200 0.091 0.000 0.965 361 S CB -0.653 62.596 63.200 0.080 0.000 0.812 361 S HN 0.022 nan 8.310 nan 0.000 0.482 362 V N 2.465 122.462 119.914 0.139 0.000 2.343 362 V HA -0.164 3.956 4.120 -0.000 0.000 0.247 362 V C 2.915 179.065 176.094 0.093 0.000 1.051 362 V CA 2.330 64.712 62.300 0.137 0.000 1.036 362 V CB -0.965 30.977 31.823 0.199 0.000 0.654 362 V HN 0.592 nan 8.190 nan 0.000 0.451 363 E N 0.505 120.760 120.200 0.091 0.000 2.051 363 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 363 E C 1.305 177.935 176.600 0.050 0.000 0.991 363 E CA 1.252 57.691 56.400 0.065 0.000 0.799 363 E CB -0.535 29.202 29.700 0.063 0.000 0.748 363 E HN 0.619 nan 8.360 nan 0.000 0.449 368 N N 1.247 119.957 118.700 0.017 0.000 2.043 368 N HA -0.054 4.686 4.740 -0.000 0.000 0.193 368 N C 1.697 177.215 175.510 0.014 0.000 1.037 368 N CA 1.969 55.027 53.050 0.014 0.000 0.851 368 N CB -0.297 38.197 38.487 0.011 0.000 1.027 368 N HN 0.472 nan 8.380 nan 0.000 0.422 369 L N 0.862 122.095 121.223 0.015 0.000 2.201 369 L HA -0.098 4.242 4.340 -0.000 0.000 0.212 369 L C 1.979 178.863 176.870 0.022 0.000 1.105 369 L CA 0.826 55.676 54.840 0.017 0.000 0.775 369 L CB -0.354 41.715 42.059 0.017 0.000 0.913 369 L HN 0.222 nan 8.230 nan 0.000 0.440 370 Q N -0.216 119.597 119.800 0.022 0.000 2.369 370 Q HA -0.061 4.279 4.340 -0.000 0.000 0.206 370 Q C 2.056 178.067 176.000 0.019 0.000 0.963 370 Q CA 1.015 56.832 55.803 0.022 0.000 0.894 370 Q CB -0.127 28.622 28.738 0.019 0.000 0.965 370 Q HN 0.542 nan 8.270 nan 0.000 0.475 371 G N 0.087 108.897 108.800 0.017 0.000 2.985 371 G HA2 0.173 4.133 3.960 -0.000 0.000 0.209 371 G HA3 0.173 4.133 3.960 -0.000 0.000 0.209 371 G C -0.069 174.840 174.900 0.016 0.000 1.165 371 G CA 0.023 45.132 45.100 0.015 0.000 0.776 371 G HN 0.156 nan 8.290 nan 0.000 0.541 372 V N -0.092 119.833 119.914 0.018 0.000 2.971 372 V HA 0.420 4.540 4.120 -0.000 0.000 0.309 372 V C -1.667 174.442 176.094 0.024 0.000 1.130 372 V CA -1.078 61.234 62.300 0.020 0.000 0.964 372 V CB 2.467 34.300 31.823 0.017 0.000 1.029 372 V HN 0.001 nan 8.190 nan 0.000 0.427 373 D N 4.854 125.270 120.400 0.026 0.000 2.348 373 D HA 0.357 4.997 4.640 -0.000 0.000 0.253 373 D C 0.115 176.437 176.300 0.037 0.000 1.161 373 D CA 0.474 54.493 54.000 0.033 0.000 0.876 373 D CB 1.019 41.839 40.800 0.033 0.000 1.160 373 D HN 0.472 nan 8.370 nan 0.000 0.459 374 I N 4.257 124.853 120.570 0.044 0.000 2.436 374 I HA 0.112 4.282 4.170 -0.000 0.000 0.289 374 I C -1.814 174.337 176.117 0.057 0.000 1.083 374 I CA -1.694 59.636 61.300 0.050 0.000 1.372 374 I CB 0.231 38.264 38.000 0.056 0.000 1.408 374 I HN 0.038 nan 8.210 nan 0.000 0.516 375 P HA 0.023 nan 4.420 nan 0.000 0.264 375 P C 0.910 178.240 177.300 0.050 0.000 1.183 375 P CA -0.031 63.096 63.100 0.045 0.000 0.763 375 P CB 0.609 32.327 31.700 0.030 0.000 0.807 376 L N 1.552 122.816 121.223 0.067 0.000 2.051 376 L HA -0.159 4.181 4.340 -0.000 0.000 0.214 376 L C 1.736 178.543 176.870 -0.105 0.000 1.076 376 L CA 1.604 56.503 54.840 0.099 0.000 0.758 376 L CB -1.068 41.113 42.059 0.204 0.000 0.890 376 L HN 0.558 nan 8.230 nan 0.000 0.433 380 S N 0.988 116.493 115.700 -0.324 0.000 2.359 380 S HA -0.285 4.185 4.470 -0.000 0.000 0.224 380 S C 1.842 176.281 174.600 -0.267 0.000 1.035 380 S CA 2.790 60.694 58.200 -0.494 0.000 1.018 380 S CB -0.090 62.462 63.200 -1.080 0.000 0.876 380 S HN 0.428 nan 8.310 nan 0.000 0.448 381 Q N -0.309 119.292 119.800 -0.331 0.000 2.002 381 Q HA -0.126 4.213 4.340 -0.000 0.000 0.204 381 Q C 1.545 177.271 176.000 -0.456 0.000 0.988 381 Q CA 2.308 57.825 55.803 -0.478 0.000 0.843 381 Q CB -0.492 27.770 28.738 -0.794 0.000 0.908 381 Q HN 0.769 nan 8.270 nan 0.000 0.420 382 Y N -1.390 118.900 120.300 -0.017 0.000 2.503 382 Y HA 0.308 4.858 4.550 -0.000 0.000 0.277 382 Y C 0.349 176.268 175.900 0.031 0.000 1.102 382 Y CA 0.180 58.288 58.100 0.014 0.000 1.261 382 Y CB 0.709 39.180 38.460 0.019 0.000 1.096 382 Y HN -0.016 nan 8.280 nan 0.000 0.546 383 L N 0.999 122.314 121.223 0.153 0.000 2.625 383 L HA 0.295 4.635 4.340 -0.000 0.000 0.255 383 L C -2.071 174.878 176.870 0.131 0.000 1.493 383 L CA -1.247 53.671 54.840 0.131 0.000 0.796 383 L CB 1.422 43.559 42.059 0.130 0.000 1.064 383 L HN -0.130 nan 8.230 nan 0.000 0.516 384 P HA -0.166 nan 4.420 nan 0.000 0.216 384 P C 1.227 178.635 177.300 0.180 0.000 1.150 384 P CA 1.398 64.581 63.100 0.138 0.000 0.837 384 P CB 0.297 32.043 31.700 0.077 0.000 0.786 385 K N -0.811 119.663 120.400 0.124 0.000 2.228 385 K HA -0.082 4.238 4.320 -0.000 0.000 0.202 385 K C 2.191 178.850 176.600 0.099 0.000 1.051 385 K CA 1.006 57.353 56.287 0.101 0.000 0.960 385 K CB -0.183 32.366 32.500 0.082 0.000 0.743 385 K HN 0.067 nan 8.250 nan 0.000 0.458 386 Q N 0.025 119.894 119.800 0.114 0.000 2.119 386 Q HA -0.107 4.233 4.340 -0.000 0.000 0.201 386 Q C 1.697 177.774 176.000 0.129 0.000 0.972 386 Q CA 1.153 57.019 55.803 0.104 0.000 0.847 386 Q CB -0.315 28.479 28.738 0.093 0.000 0.903 386 Q HN 0.258 nan 8.270 nan 0.000 0.433 387 F N 1.699 121.668 119.950 0.032 0.000 2.126 387 F HA -0.193 4.334 4.527 -0.000 0.000 0.299 387 F C 1.606 177.421 175.800 0.025 0.000 1.096 387 F CA 1.635 59.651 58.000 0.027 0.000 1.255 387 F CB -0.084 38.927 39.000 0.020 0.000 0.997 387 F HN 0.094 nan 8.300 nan 0.000 0.479 388 E N 0.011 120.133 120.200 -0.129 0.000 2.077 388 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 388 E C 2.285 178.775 176.600 -0.183 0.000 0.989 388 E CA 1.249 57.512 56.400 -0.228 0.000 0.800 388 E CB -0.234 29.440 29.700 -0.043 0.000 0.746 388 E HN 0.477 nan 8.360 nan 0.000 0.452 389 R N 0.405 120.859 120.500 -0.078 0.000 2.115 389 R HA -0.072 4.268 4.340 -0.000 0.000 0.230 389 R C 2.371 178.631 176.300 -0.067 0.000 1.111 389 R CA 0.883 56.958 56.100 -0.042 0.000 0.976 389 R CB -0.265 30.048 30.300 0.022 0.000 0.870 389 R HN 0.230 nan 8.270 nan 0.000 0.445 390 I N 0.982 121.493 120.570 -0.098 0.000 2.202 390 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 390 I C 2.459 178.474 176.117 -0.170 0.000 1.091 390 I CA 1.337 62.580 61.300 -0.095 0.000 1.368 390 I CB -0.363 37.615 38.000 -0.036 0.000 1.058 390 I HN 0.202 nan 8.210 nan 0.000 0.410 391 Q N 0.537 120.125 119.800 -0.352 0.000 2.096 391 Q HA -0.240 4.100 4.340 -0.000 0.000 0.208 391 Q C 2.096 177.996 176.000 -0.167 0.000 0.993 391 Q CA 2.255 57.860 55.803 -0.331 0.000 0.862 391 Q CB -0.247 28.203 28.738 -0.481 0.000 0.915 391 Q HN 0.589 nan 8.270 nan 0.000 0.416 392 S N -1.296 114.323 115.700 -0.134 0.000 2.671 392 S HA 0.218 4.688 4.470 -0.000 0.000 0.220 392 S C 1.200 175.772 174.600 -0.048 0.000 0.951 392 S CA 0.295 58.450 58.200 -0.075 0.000 0.932 392 S CB 0.454 63.620 63.200 -0.057 0.000 0.777 392 S HN 0.548 nan 8.310 nan 0.000 0.508 393 G N 1.082 109.852 108.800 -0.050 0.000 2.153 393 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.252 393 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.252 393 G C 0.324 175.219 174.900 -0.009 0.000 0.994 393 G CA 0.501 45.586 45.100 -0.025 0.000 0.698 393 G HN 0.618 nan 8.290 nan 0.000 0.521 394 E N -1.412 118.784 120.200 -0.006 0.000 2.474 394 E HA 0.492 4.842 4.350 -0.000 0.000 0.195 394 E C 0.351 176.972 176.600 0.036 0.000 1.039 394 E CA 0.061 56.470 56.400 0.015 0.000 0.881 394 E CB 0.598 30.309 29.700 0.019 0.000 0.970 394 E HN 0.436 nan 8.360 nan 0.000 0.486 395 L N -0.079 121.161 121.223 0.028 0.000 2.556 395 L HA 0.312 4.652 4.340 -0.000 0.000 0.257 395 L C -1.017 175.875 176.870 0.036 0.000 0.955 395 L CA -0.623 54.244 54.840 0.044 0.000 0.850 395 L CB 2.014 44.103 42.059 0.049 0.000 1.398 395 L HN -0.070 nan 8.230 nan 0.000 0.412 396 S N 1.995 117.722 115.700 0.045 0.000 2.722 396 S HA 0.808 5.278 4.470 -0.000 0.000 0.292 396 S C 0.425 175.056 174.600 0.052 0.000 1.135 396 S CA -0.198 58.029 58.200 0.045 0.000 1.003 396 S CB 1.587 64.814 63.200 0.046 0.000 1.067 396 S HN 1.056 nan 8.310 nan 0.000 0.546 397 A N 0.822 123.676 122.820 0.058 0.000 2.503 397 A HA 0.363 4.683 4.320 -0.000 0.000 0.263 397 A C 0.111 177.728 177.584 0.056 0.000 1.360 397 A CA -0.372 51.704 52.037 0.065 0.000 0.969 397 A CB -0.872 18.174 19.000 0.076 0.000 1.000 397 A HN 0.648 nan 8.150 nan 0.000 0.530 398 I N 0.543 121.144 120.570 0.052 0.000 2.371 398 I HA 0.202 4.372 4.170 -0.000 0.000 0.290 398 I C -1.521 174.629 176.117 0.055 0.000 1.028 398 I CA -2.269 59.064 61.300 0.056 0.000 1.345 398 I CB 1.034 39.074 38.000 0.067 0.000 1.407 398 I HN 0.050 nan 8.210 nan 0.000 0.501 399 P HA -0.219 nan 4.420 nan 0.000 0.215 399 P C 1.663 178.987 177.300 0.040 0.000 1.157 399 P CA 1.576 64.702 63.100 0.042 0.000 0.874 399 P CB 0.137 31.864 31.700 0.045 0.000 0.790 400 H N -0.576 118.480 119.070 -0.024 0.000 2.387 400 H HA -0.117 4.439 4.556 -0.000 0.000 0.299 400 H C 1.950 177.241 175.328 -0.061 0.000 1.099 400 H CA 1.644 57.666 56.048 -0.042 0.000 1.315 400 H CB -0.279 29.467 29.762 -0.027 0.000 1.380 400 H HN 0.000 nan 8.280 nan 0.000 0.513 401 Q N 0.010 119.789 119.800 -0.036 0.000 2.172 401 Q HA -0.040 4.300 4.340 -0.000 0.000 0.200 401 Q C 2.623 178.544 176.000 -0.132 0.000 0.964 401 Q CA 0.824 56.573 55.803 -0.091 0.000 0.855 401 Q CB -0.059 28.691 28.738 0.020 0.000 0.918 401 Q HN 0.531 nan 8.270 nan 0.000 0.444 402 L N 0.078 121.253 121.223 -0.081 0.000 2.056 402 L HA -0.074 4.265 4.340 -0.000 0.000 0.207 402 L C 1.478 178.267 176.870 -0.136 0.000 1.078 402 L CA 0.464 55.264 54.840 -0.067 0.000 0.749 402 L CB -0.392 41.661 42.059 -0.010 0.000 0.901 402 L HN 0.112 nan 8.230 nan 0.000 0.433 406 K N 0.967 121.280 120.400 -0.145 0.000 2.032 406 K HA -0.017 4.303 4.320 -0.000 0.000 0.209 406 K C 2.072 178.622 176.600 -0.084 0.000 1.048 406 K CA 1.257 57.497 56.287 -0.079 0.000 0.927 406 K CB -0.358 32.089 32.500 -0.088 0.000 0.712 406 K HN 0.426 nan 8.250 nan 0.000 0.441 407 I N -0.022 120.442 120.570 -0.176 0.000 2.252 407 I HA -0.266 3.903 4.170 -0.000 0.000 0.245 407 I C 2.088 178.163 176.117 -0.070 0.000 1.102 407 I CA 0.899 62.111 61.300 -0.147 0.000 1.385 407 I CB -0.441 37.435 38.000 -0.207 0.000 1.064 407 I HN 0.018 nan 8.210 nan 0.000 0.414 408 Y N 1.097 121.324 120.300 -0.122 0.000 2.193 408 Y HA -0.303 4.246 4.550 -0.000 0.000 0.285 408 Y C 2.377 178.178 175.900 -0.166 0.000 1.166 408 Y CA 0.904 58.903 58.100 -0.168 0.000 1.181 408 Y CB -1.194 37.321 38.460 0.091 0.000 0.976 408 Y HN 0.245 nan 8.280 nan 0.000 0.520 409 D N -0.609 119.857 120.400 0.110 0.000 2.178 409 D HA -0.124 4.516 4.640 -0.000 0.000 0.201 409 D C 2.346 178.676 176.300 0.050 0.000 0.980 409 D CA 0.937 54.990 54.000 0.088 0.000 0.842 409 D CB -0.115 40.737 40.800 0.086 0.000 0.948 409 D HN 0.174 nan 8.370 nan 0.000 0.472 410 V N 0.785 120.707 119.914 0.013 0.000 2.307 410 V HA -0.192 3.927 4.120 -0.000 0.000 0.245 410 V C 2.632 178.737 176.094 0.019 0.000 1.045 410 V CA 1.025 63.346 62.300 0.035 0.000 1.024 410 V CB -0.437 31.379 31.823 -0.012 0.000 0.651 410 V HN 0.206 nan 8.190 nan 0.000 0.449 411 L N -0.548 120.546 121.223 -0.215 0.000 2.131 411 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 411 L C 2.769 179.448 176.870 -0.318 0.000 1.092 411 L CA 1.487 56.045 54.840 -0.470 0.000 0.759 411 L CB -0.623 40.755 42.059 -1.135 0.000 0.903 411 L HN 0.255 nan 8.230 nan 0.000 0.435 412 R N 0.058 120.464 120.500 -0.156 0.000 2.081 412 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 412 R C 2.518 178.945 176.300 0.212 0.000 1.131 412 R CA 1.342 57.553 56.100 0.185 0.000 0.960 412 R CB -0.526 29.902 30.300 0.214 0.000 0.856 412 R HN 0.353 nan 8.270 nan 0.000 0.436 413 A N 0.547 123.461 122.820 0.156 0.000 1.883 413 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 413 A C 1.896 179.569 177.584 0.147 0.000 1.186 413 A CA 1.396 53.540 52.037 0.178 0.000 0.624 413 A CB -0.830 18.290 19.000 0.200 0.000 0.822 413 A HN 0.332 nan 8.150 nan 0.000 0.444 414 Y N -0.526 119.709 120.300 -0.107 0.000 2.224 414 Y HA -0.177 4.373 4.550 -0.000 0.000 0.289 414 Y C 2.598 178.533 175.900 0.058 0.000 1.146 414 Y CA 1.833 59.791 58.100 -0.236 0.000 1.182 414 Y CB -0.305 37.947 38.460 -0.346 0.000 0.983 414 Y HN 0.329 nan 8.280 nan 0.000 0.524 415 R N -0.741 119.936 120.500 0.296 0.000 2.075 415 R HA -0.241 4.099 4.340 -0.000 0.000 0.232 415 R C 2.164 178.661 176.300 0.329 0.000 1.126 415 R CA 1.521 57.813 56.100 0.319 0.000 0.963 415 R CB -0.787 29.756 30.300 0.406 0.000 0.858 415 R HN 0.417 nan 8.270 nan 0.000 0.435 416 Y N 0.441 120.879 120.300 0.231 0.000 2.151 416 Y HA -0.177 4.373 4.550 -0.000 0.000 0.284 416 Y C 2.063 178.184 175.900 0.369 0.000 1.166 416 Y CA 2.121 60.369 58.100 0.247 0.000 1.163 416 Y CB -0.647 37.936 38.460 0.204 0.000 0.974 416 Y HN 0.193 nan 8.280 nan 0.000 0.511 417 G N -1.707 107.423 108.800 0.549 0.000 2.403 417 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 417 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 417 G C 1.384 176.517 174.900 0.388 0.000 1.154 417 G CA 1.029 46.448 45.100 0.531 0.000 0.784 417 G HN 0.510 nan 8.290 nan 0.000 0.538 418 C N 0.460 119.927 119.300 0.279 0.000 2.799 418 C HA 0.704 5.164 4.460 -0.000 0.000 0.267 418 C C 1.322 176.431 174.990 0.198 0.000 1.257 418 C CA -0.187 58.943 59.018 0.187 0.000 1.702 418 C CB -0.791 27.043 27.740 0.156 0.000 1.934 418 C HN 0.497 nan 8.230 nan 0.000 0.594 419 A N 0.777 123.737 122.820 0.233 0.000 2.332 419 A HA 0.620 4.940 4.320 -0.000 0.000 0.300 419 A C -0.259 177.426 177.584 0.168 0.000 1.153 419 A CA -0.214 51.933 52.037 0.182 0.000 0.764 419 A CB 0.469 19.551 19.000 0.136 0.000 1.174 419 A HN 0.415 nan 8.150 nan 0.000 0.467 420 E N 0.000 120.307 120.200 0.178 0.000 2.725 420 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 420 E CA 0.000 56.459 56.400 0.098 0.000 0.976 420 E CB 0.000 29.741 29.700 0.068 0.000 0.812 420 E HN 0.000 nan 8.360 nan 0.000 0.440