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 3ejz_1_B DATA FIRST_RESID 18 DATA SEQUENCE RRQLIRQLLE RDKTPLAILF MAAVVGTLVG LAAVAFDKGV AWLQNQRMGA DATA SEQUENCE LVHTADNYPL LLTVAFLCSA VLAMFGYFLV RKYAPEAGGS GIPEIEGALE DATA SEQUENCE DQRPVRWWRV LPVKFFGGLG TLGGGMVLGR EGPTVQIGGN IGRMVLDIFR DATA SEQUENCE LKGDEARHTL LATGAAAGLA AAFNAPLAGI LFIIEVMRPQ FRYTLISIKA DATA SEQUENCE VFIGVIMSTI MYRIFNHEVA LIDVGKLSDA PLNTLWLYLI LGIIFGIFGP DATA SEQUENCE IFNKWVLGMQ DLLHRVHGGN ITKWVLMGGA IGGLCGLLGF VAPATSGGGF DATA SEQUENCE NLIPIATAGN FSMGMLVFIF VARVITTLLC FSSGAPGGIF APMLALGTVL DATA SEQUENCE GTAFGMVAVE LFPQYHLEAG TFAIAGMGAL LAASIRAPLT GIILVLEMTD DATA SEQUENCE NYQLILPMII TGLGATLLAQ FTGGKPLYSA ILARTLAKQE A 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 18 R HA 0.000 nan 4.340 nan 0.000 0.208 18 R C 0.000 176.298 176.300 -0.004 0.000 0.893 18 R CA 0.000 56.097 56.100 -0.004 0.000 0.921 18 R CB 0.000 30.298 30.300 -0.003 0.000 0.687 19 R N 0.999 121.498 120.500 -0.003 0.000 2.189 19 R HA 0.039 4.378 4.340 -0.001 0.000 0.218 19 R C 2.063 178.362 176.300 -0.002 0.000 1.074 19 R CA 1.547 57.646 56.100 -0.002 0.000 0.991 19 R CB 0.101 30.400 30.300 -0.001 0.000 0.883 19 R HN 0.306 nan 8.270 nan 0.000 0.457 20 Q N 0.241 120.040 119.800 -0.002 0.000 2.137 20 Q HA -0.126 4.213 4.340 -0.001 0.000 0.198 20 Q C 1.939 177.935 176.000 -0.006 0.000 0.960 20 Q CA 0.767 56.569 55.803 -0.002 0.000 0.847 20 Q CB 0.132 28.869 28.738 -0.001 0.000 0.915 20 Q HN 0.213 nan 8.270 nan 0.000 0.448 21 L N 1.280 122.498 121.223 -0.008 0.000 1.971 21 L HA -0.219 4.121 4.340 -0.001 0.000 0.215 21 L C 2.115 178.978 176.870 -0.011 0.000 1.072 21 L CA 1.796 56.629 54.840 -0.012 0.000 0.758 21 L CB -0.602 41.449 42.059 -0.013 0.000 0.889 21 L HN 0.288 nan 8.230 nan 0.000 0.433 22 I N -0.855 119.710 120.570 -0.008 0.000 2.502 22 I HA -0.302 3.868 4.170 -0.001 0.000 0.258 22 I C 2.434 178.548 176.117 -0.005 0.000 1.172 22 I CA 1.218 62.514 61.300 -0.006 0.000 1.430 22 I CB -0.406 37.591 38.000 -0.005 0.000 1.086 22 I HN 0.311 nan 8.210 nan 0.000 0.440 23 R N 0.589 121.087 120.500 -0.004 0.000 2.189 23 R HA 0.012 4.351 4.340 -0.001 0.000 0.203 23 R C 2.046 178.345 176.300 -0.002 0.000 1.012 23 R CA 0.938 57.036 56.100 -0.002 0.000 1.015 23 R CB -0.053 30.247 30.300 -0.000 0.000 0.938 23 R HN 0.335 nan 8.270 nan 0.000 0.472 24 Q N -0.194 119.603 119.800 -0.006 0.000 2.061 24 Q HA 0.019 4.359 4.340 -0.001 0.000 0.195 24 Q C 1.942 177.935 176.000 -0.011 0.000 0.967 24 Q CA 1.280 57.077 55.803 -0.009 0.000 0.829 24 Q CB -0.032 28.696 28.738 -0.016 0.000 0.900 24 Q HN 0.278 nan 8.270 nan 0.000 0.450 25 L N 0.696 121.911 121.223 -0.014 0.000 2.021 25 L HA -0.263 4.076 4.340 -0.001 0.000 0.215 25 L C 2.215 179.080 176.870 -0.009 0.000 1.074 25 L CA 1.250 56.081 54.840 -0.014 0.000 0.760 25 L CB -0.439 41.612 42.059 -0.014 0.000 0.889 25 L HN 0.297 nan 8.230 nan 0.000 0.433 26 L N -0.810 120.410 121.223 -0.006 0.000 2.551 26 L HA -0.107 4.233 4.340 -0.001 0.000 0.228 26 L C 1.846 178.715 176.870 -0.001 0.000 1.153 26 L CA 0.404 55.242 54.840 -0.004 0.000 0.851 26 L CB -0.197 41.861 42.059 -0.003 0.000 0.959 26 L HN 0.246 nan 8.230 nan 0.000 0.451 27 E N -0.405 119.795 120.200 0.000 0.000 2.498 27 E HA 0.101 4.450 4.350 -0.001 0.000 0.203 27 E C 0.483 177.088 176.600 0.008 0.000 1.013 27 E CA -0.091 56.312 56.400 0.005 0.000 0.927 27 E CB 0.371 30.076 29.700 0.008 0.000 1.012 27 E HN 0.306 nan 8.360 nan 0.000 0.482 28 R N 1.872 122.373 120.500 0.003 0.000 2.643 28 R HA -0.036 4.303 4.340 -0.001 0.000 0.270 28 R C -0.283 176.023 176.300 0.010 0.000 1.061 28 R CA 0.230 56.333 56.100 0.005 0.000 1.107 28 R CB 0.250 30.547 30.300 -0.006 0.000 0.999 28 R HN -0.164 nan 8.270 nan 0.000 0.460 29 D N 2.045 122.457 120.400 0.020 0.000 2.812 29 D HA -0.164 4.475 4.640 -0.001 0.000 0.237 29 D C -1.487 174.823 176.300 0.017 0.000 1.162 29 D CA 1.223 55.236 54.000 0.021 0.000 0.740 29 D CB -0.415 40.390 40.800 0.009 0.000 1.000 29 D HN 0.473 nan 8.370 nan 0.000 0.416 30 K N 1.104 121.519 120.400 0.025 0.000 2.579 30 K HA 0.448 4.768 4.320 -0.001 0.000 0.250 30 K C -0.784 175.834 176.600 0.030 0.000 0.952 30 K CA -0.718 55.583 56.287 0.022 0.000 0.857 30 K CB 1.739 34.250 32.500 0.019 0.000 1.123 30 K HN 0.042 nan 8.250 nan 0.000 0.433 31 T N 3.119 117.689 114.554 0.027 0.000 2.791 31 T HA 0.271 4.620 4.350 -0.001 0.000 0.288 31 T C -2.544 172.172 174.700 0.027 0.000 0.999 31 T CA -1.839 60.279 62.100 0.030 0.000 0.952 31 T CB 1.167 70.055 68.868 0.033 0.000 0.938 31 T HN 0.218 nan 8.240 nan 0.000 0.444 32 P HA 0.005 nan 4.420 nan 0.000 0.253 32 P C 1.170 178.486 177.300 0.028 0.000 1.159 32 P CA -0.061 63.053 63.100 0.023 0.000 0.779 32 P CB 0.301 32.014 31.700 0.021 0.000 0.745 33 L N 3.957 125.196 121.223 0.026 0.000 2.151 33 L HA -0.348 3.992 4.340 -0.001 0.000 0.215 33 L C 1.957 178.859 176.870 0.054 0.000 1.084 33 L CA 2.193 57.054 54.840 0.036 0.000 0.764 33 L CB -0.418 41.653 42.059 0.021 0.000 0.891 33 L HN 0.422 nan 8.230 nan 0.000 0.435 34 A N 0.147 122.989 122.820 0.037 0.000 1.858 34 A HA -0.234 4.085 4.320 -0.001 0.000 0.216 34 A C 2.138 179.767 177.584 0.074 0.000 1.190 34 A CA 2.071 54.136 52.037 0.046 0.000 0.617 34 A CB -0.813 18.204 19.000 0.028 0.000 0.827 34 A HN 0.503 nan 8.150 nan 0.000 0.443 35 I N -0.062 120.536 120.570 0.047 0.000 2.118 35 I HA -0.326 3.843 4.170 -0.001 0.000 0.241 35 I C 2.485 178.623 176.117 0.036 0.000 1.070 35 I CA 1.560 62.879 61.300 0.031 0.000 1.327 35 I CB -0.439 37.574 38.000 0.021 0.000 1.034 35 I HN 0.355 nan 8.210 nan 0.000 0.405 36 L N -0.294 120.960 121.223 0.051 0.000 1.978 36 L HA -0.308 4.031 4.340 -0.001 0.000 0.218 36 L C 2.643 179.543 176.870 0.051 0.000 1.075 36 L CA 1.806 56.675 54.840 0.048 0.000 0.767 36 L CB -0.980 41.114 42.059 0.057 0.000 0.890 36 L HN 0.223 nan 8.230 nan 0.000 0.434 37 F N -0.003 119.921 119.950 -0.042 0.000 2.154 37 F HA -0.282 4.245 4.527 -0.001 0.000 0.301 37 F C 2.557 178.297 175.800 -0.099 0.000 1.087 37 F CA 1.519 59.485 58.000 -0.057 0.000 1.274 37 F CB -0.033 38.938 39.000 -0.049 0.000 1.009 37 F HN -0.002 nan 8.300 nan 0.000 0.485 38 M N 0.031 119.630 119.600 -0.003 0.000 2.200 38 M HA -0.057 4.422 4.480 -0.001 0.000 0.265 38 M C 2.589 178.766 176.300 -0.204 0.000 1.066 38 M CA 1.410 56.614 55.300 -0.158 0.000 1.127 38 M CB -1.799 30.729 32.600 -0.120 0.000 1.379 38 M HN 0.304 nan 8.290 nan 0.000 0.420 39 A N 0.628 123.371 122.820 -0.127 0.000 1.892 39 A HA -0.122 4.197 4.320 -0.001 0.000 0.218 39 A C 2.450 179.945 177.584 -0.148 0.000 1.188 39 A CA 2.504 54.476 52.037 -0.108 0.000 0.631 39 A CB -1.089 17.880 19.000 -0.051 0.000 0.822 39 A HN 0.474 nan 8.150 nan 0.000 0.447 40 A N -0.288 122.415 122.820 -0.195 0.000 1.884 40 A HA -0.152 4.168 4.320 -0.001 0.000 0.219 40 A C 2.483 179.909 177.584 -0.263 0.000 1.197 40 A CA 2.887 54.783 52.037 -0.235 0.000 0.637 40 A CB -1.449 17.348 19.000 -0.338 0.000 0.827 40 A HN 1.347 nan 8.150 nan 0.000 0.450 41 V N -0.735 118.960 119.914 -0.364 0.000 2.295 41 V HA -0.186 3.933 4.120 -0.001 0.000 0.246 41 V C 2.189 178.162 176.094 -0.200 0.000 1.049 41 V CA 2.549 64.671 62.300 -0.297 0.000 1.024 41 V CB -1.011 30.598 31.823 -0.357 0.000 0.648 41 V HN 0.290 nan 8.190 nan 0.000 0.447 42 V N 1.811 121.608 119.914 -0.195 0.000 2.250 42 V HA -0.215 3.904 4.120 -0.001 0.000 0.250 42 V C 2.954 178.981 176.094 -0.112 0.000 1.060 42 V CA 2.588 64.799 62.300 -0.147 0.000 1.030 42 V CB -1.887 29.859 31.823 -0.130 0.000 0.643 42 V HN 0.699 nan 8.190 nan 0.000 0.445 43 G N -0.432 108.306 108.800 -0.103 0.000 2.459 43 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.217 43 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.217 43 G C 1.679 176.542 174.900 -0.062 0.000 1.183 43 G CA 1.648 46.705 45.100 -0.072 0.000 0.776 43 G HN 0.486 nan 8.290 nan 0.000 0.552 44 T N 1.569 116.079 114.554 -0.074 0.000 2.720 44 T HA -0.097 4.253 4.350 -0.001 0.000 0.268 44 T C 2.424 177.095 174.700 -0.049 0.000 1.037 44 T CA 1.206 63.276 62.100 -0.051 0.000 1.144 44 T CB -0.254 68.575 68.868 -0.064 0.000 0.864 44 T HN 0.166 nan 8.240 nan 0.000 0.444 45 L N 0.489 121.670 121.223 -0.071 0.000 1.976 45 L HA -0.088 4.251 4.340 -0.001 0.000 0.209 45 L C 2.754 179.587 176.870 -0.062 0.000 1.071 45 L CA 1.039 55.837 54.840 -0.069 0.000 0.746 45 L CB -0.864 41.143 42.059 -0.088 0.000 0.890 45 L HN 0.109 nan 8.230 nan 0.000 0.432 46 V N 0.374 120.248 119.914 -0.066 0.000 2.392 46 V HA -0.254 3.866 4.120 -0.001 0.000 0.249 46 V C 2.571 178.640 176.094 -0.041 0.000 1.059 46 V CA 2.005 64.269 62.300 -0.060 0.000 1.051 46 V CB -1.296 30.485 31.823 -0.070 0.000 0.658 46 V HN 0.609 nan 8.190 nan 0.000 0.455 47 G N 0.117 108.900 108.800 -0.028 0.000 2.587 47 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.217 47 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.217 47 G C 1.500 176.387 174.900 -0.022 0.000 1.240 47 G CA 1.312 46.415 45.100 0.004 0.000 0.794 47 G HN 0.465 nan 8.290 nan 0.000 0.580 48 L N 0.970 122.161 121.223 -0.054 0.000 2.021 48 L HA -0.205 4.134 4.340 -0.001 0.000 0.215 48 L C 3.467 180.288 176.870 -0.082 0.000 1.074 48 L CA 1.432 56.199 54.840 -0.122 0.000 0.760 48 L CB -0.833 41.171 42.059 -0.091 0.000 0.889 48 L HN 0.333 nan 8.230 nan 0.000 0.433 49 A N 0.283 123.082 122.820 -0.034 0.000 1.869 49 A HA -0.285 4.035 4.320 -0.001 0.000 0.218 49 A C 2.571 180.229 177.584 0.123 0.000 1.203 49 A CA 2.482 54.542 52.037 0.039 0.000 0.638 49 A CB -1.006 17.997 19.000 0.006 0.000 0.831 49 A HN 0.451 nan 8.150 nan 0.000 0.450 50 A N -0.944 121.903 122.820 0.045 0.000 1.908 50 A HA -0.019 4.301 4.320 -0.001 0.000 0.218 50 A C 2.272 179.923 177.584 0.110 0.000 1.181 50 A CA 1.958 54.030 52.037 0.058 0.000 0.627 50 A CB -1.025 17.979 19.000 0.007 0.000 0.818 50 A HN 0.467 nan 8.150 nan 0.000 0.445 51 V N -0.181 119.748 119.914 0.025 0.000 2.295 51 V HA -0.246 3.874 4.120 -0.001 0.000 0.246 51 V C 3.070 179.128 176.094 -0.060 0.000 1.049 51 V CA 1.930 64.194 62.300 -0.061 0.000 1.024 51 V CB -1.285 30.343 31.823 -0.326 0.000 0.648 51 V HN 0.633 nan 8.190 nan 0.000 0.447 52 A N -0.304 122.497 122.820 -0.031 0.000 1.883 52 A HA -0.286 4.033 4.320 -0.001 0.000 0.217 52 A C 2.134 179.770 177.584 0.086 0.000 1.186 52 A CA 2.223 54.292 52.037 0.053 0.000 0.624 52 A CB -0.853 18.235 19.000 0.147 0.000 0.822 52 A HN 0.531 nan 8.150 nan 0.000 0.444 53 F N 0.954 120.877 119.950 -0.044 0.000 2.154 53 F HA -0.225 4.302 4.527 -0.001 0.000 0.301 53 F C 1.903 177.567 175.800 -0.227 0.000 1.087 53 F CA 2.173 59.950 58.000 -0.372 0.000 1.274 53 F CB -0.145 38.641 39.000 -0.358 0.000 1.009 53 F HN 0.316 nan 8.300 nan 0.000 0.485 54 D N 0.124 120.501 120.400 -0.039 0.000 2.097 54 D HA -0.140 4.499 4.640 -0.001 0.000 0.197 54 D C 2.116 178.354 176.300 -0.103 0.000 0.984 54 D CA 1.081 55.050 54.000 -0.051 0.000 0.826 54 D CB -0.036 40.814 40.800 0.083 0.000 0.973 54 D HN 0.146 nan 8.370 nan 0.000 0.460 55 K N 0.357 120.715 120.400 -0.069 0.000 2.032 55 K HA -0.084 4.235 4.320 -0.001 0.000 0.209 55 K C 2.177 178.750 176.600 -0.045 0.000 1.048 55 K CA 1.112 57.383 56.287 -0.028 0.000 0.927 55 K CB -0.989 31.503 32.500 -0.013 0.000 0.712 55 K HN 0.224 nan 8.250 nan 0.000 0.441 56 G N 1.766 110.466 108.800 -0.166 0.000 2.586 56 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.218 56 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.218 56 G C 1.740 176.532 174.900 -0.179 0.000 1.216 56 G CA 1.735 46.701 45.100 -0.224 0.000 0.786 56 G HN 0.139 nan 8.290 nan 0.000 0.583 57 V N 1.859 121.552 119.914 -0.368 0.000 2.324 57 V HA -0.201 3.918 4.120 -0.001 0.000 0.250 57 V C 3.319 179.365 176.094 -0.080 0.000 1.060 57 V CA 2.280 64.419 62.300 -0.269 0.000 1.042 57 V CB -1.292 30.320 31.823 -0.351 0.000 0.650 57 V HN 0.580 nan 8.190 nan 0.000 0.450 58 A N -0.550 122.248 122.820 -0.037 0.000 1.842 58 A HA -0.324 3.995 4.320 -0.001 0.000 0.217 58 A C 1.937 179.563 177.584 0.070 0.000 1.206 58 A CA 2.249 54.300 52.037 0.023 0.000 0.630 58 A CB -1.335 17.689 19.000 0.040 0.000 0.839 58 A HN 0.670 nan 8.150 nan 0.000 0.447 59 W N 0.374 121.632 121.300 -0.069 0.000 2.257 59 W HA -0.314 4.345 4.660 -0.001 0.000 0.325 59 W C 1.972 178.460 176.519 -0.052 0.000 1.296 59 W CA 2.615 59.930 57.345 -0.051 0.000 1.297 59 W CB -0.381 29.047 29.460 -0.053 0.000 1.131 59 W HN 0.333 nan 8.180 nan 0.000 0.492 60 L N -0.608 120.769 121.223 0.257 0.000 2.044 60 L HA -0.234 4.105 4.340 -0.001 0.000 0.205 60 L C 2.632 179.486 176.870 -0.027 0.000 1.075 60 L CA 1.633 56.547 54.840 0.124 0.000 0.747 60 L CB -1.176 40.958 42.059 0.125 0.000 0.903 60 L HN 0.018 nan 8.230 nan 0.000 0.435 61 Q N -0.236 119.553 119.800 -0.018 0.000 2.197 61 Q HA -0.249 4.091 4.340 -0.001 0.000 0.207 61 Q C 2.003 177.968 176.000 -0.058 0.000 0.984 61 Q CA 1.747 57.534 55.803 -0.026 0.000 0.869 61 Q CB -0.229 28.504 28.738 -0.009 0.000 0.906 61 Q HN 0.509 nan 8.270 nan 0.000 0.426 62 N N -0.295 118.339 118.700 -0.111 0.000 2.083 62 N HA -0.190 4.549 4.740 -0.001 0.000 0.190 62 N C 1.568 176.946 175.510 -0.219 0.000 1.047 62 N CA 0.963 53.914 53.050 -0.165 0.000 0.845 62 N CB 0.132 38.484 38.487 -0.224 0.000 1.025 62 N HN 0.159 nan 8.380 nan 0.000 0.428 63 Q N 1.121 120.696 119.800 -0.376 0.000 2.118 63 Q HA -0.191 4.149 4.340 -0.001 0.000 0.211 63 Q C 2.175 178.081 176.000 -0.157 0.000 0.998 63 Q CA 1.468 57.063 55.803 -0.346 0.000 0.872 63 Q CB -0.761 27.705 28.738 -0.455 0.000 0.925 63 Q HN 0.507 nan 8.270 nan 0.000 0.414 64 R N -0.254 120.181 120.500 -0.109 0.000 2.096 64 R HA -0.141 4.198 4.340 -0.001 0.000 0.240 64 R C 2.332 178.623 176.300 -0.015 0.000 1.139 64 R CA 1.622 57.696 56.100 -0.043 0.000 0.952 64 R CB -0.436 29.852 30.300 -0.020 0.000 0.854 64 R HN 0.215 nan 8.270 nan 0.000 0.436 65 M N 0.163 119.749 119.600 -0.022 0.000 2.080 65 M HA -0.076 4.403 4.480 -0.001 0.000 0.260 65 M C 1.834 178.141 176.300 0.011 0.000 1.068 65 M CA 1.926 57.230 55.300 0.008 0.000 1.109 65 M CB -0.467 32.126 32.600 -0.012 0.000 1.342 65 M HN 0.196 nan 8.290 nan 0.000 0.405 66 G N -1.739 107.047 108.800 -0.022 0.000 3.088 66 G HA2 0.323 4.283 3.960 -0.001 0.000 0.212 66 G HA3 0.323 4.283 3.960 -0.001 0.000 0.212 66 G C 1.174 176.114 174.900 0.066 0.000 1.173 66 G CA 0.534 45.633 45.100 -0.002 0.000 0.779 66 G HN 0.610 nan 8.290 nan 0.000 0.540 67 A N 0.124 122.973 122.820 0.049 0.000 2.044 67 A HA 0.361 4.680 4.320 -0.001 0.000 0.213 67 A C 2.015 179.640 177.584 0.069 0.000 1.169 67 A CA 0.100 52.181 52.037 0.074 0.000 0.724 67 A CB -0.047 18.955 19.000 0.003 0.000 0.840 67 A HN 0.300 nan 8.150 nan 0.000 0.463 68 L N -0.254 120.998 121.223 0.048 0.000 2.552 68 L HA -0.028 4.311 4.340 -0.001 0.000 0.227 68 L C 2.037 178.944 176.870 0.062 0.000 1.146 68 L CA 0.214 55.078 54.840 0.039 0.000 0.858 68 L CB -0.165 41.947 42.059 0.087 0.000 0.969 68 L HN 0.234 nan 8.230 nan 0.000 0.451 69 V N -0.969 118.979 119.914 0.057 0.000 2.331 69 V HA -0.209 3.910 4.120 -0.001 0.000 0.242 69 V C 2.420 178.512 176.094 -0.003 0.000 1.034 69 V CA 1.177 63.485 62.300 0.014 0.000 1.027 69 V CB -0.502 31.299 31.823 -0.036 0.000 0.667 69 V HN 0.435 nan 8.190 nan 0.000 0.457 70 H N 0.648 119.713 119.070 -0.008 0.000 2.431 70 H HA -0.130 4.426 4.556 -0.001 0.000 0.297 70 H C 1.554 176.877 175.328 -0.008 0.000 1.115 70 H CA 1.927 57.969 56.048 -0.009 0.000 1.277 70 H CB -0.048 29.704 29.762 -0.016 0.000 1.372 70 H HN 0.590 nan 8.280 nan 0.000 0.516 71 T N -2.727 111.886 114.554 0.097 0.000 3.438 71 T HA 0.595 4.944 4.350 -0.001 0.000 0.244 71 T C 0.936 175.647 174.700 0.019 0.000 1.269 71 T CA -0.014 62.110 62.100 0.041 0.000 1.371 71 T CB 0.506 69.378 68.868 0.007 0.000 1.002 71 T HN 0.236 nan 8.240 nan 0.000 0.637 72 A N 1.335 124.176 122.820 0.034 0.000 2.218 72 A HA 0.186 4.505 4.320 -0.001 0.000 0.209 72 A C 1.827 179.451 177.584 0.067 0.000 1.168 72 A CA 0.614 52.683 52.037 0.053 0.000 0.804 72 A CB -0.087 18.942 19.000 0.050 0.000 0.834 72 A HN 0.731 nan 8.150 nan 0.000 0.482 73 D N -0.695 119.737 120.400 0.054 0.000 2.490 73 D HA -0.050 4.589 4.640 -0.001 0.000 0.244 73 D C 0.692 177.040 176.300 0.080 0.000 0.979 73 D CA 0.186 54.225 54.000 0.065 0.000 0.924 73 D CB -0.966 39.861 40.800 0.046 0.000 1.075 73 D HN 0.360 nan 8.370 nan 0.000 0.488 74 N N 0.005 118.739 118.700 0.055 0.000 2.466 74 N HA -0.006 4.733 4.740 -0.001 0.000 0.263 74 N C 0.360 175.910 175.510 0.066 0.000 1.178 74 N CA -0.326 52.760 53.050 0.059 0.000 0.983 74 N CB 0.102 38.606 38.487 0.028 0.000 1.331 74 N HN 0.039 nan 8.380 nan 0.000 0.500 75 Y N 5.656 125.955 120.300 -0.002 0.000 2.081 75 Y HA -0.119 4.431 4.550 -0.001 0.000 0.280 75 Y C -1.025 174.851 175.900 -0.041 0.000 1.163 75 Y CA 1.776 59.871 58.100 -0.009 0.000 1.135 75 Y CB -0.593 37.882 38.460 0.025 0.000 0.970 75 Y HN 0.594 nan 8.280 nan 0.000 0.498 76 P HA -0.190 nan 4.420 nan 0.000 0.218 76 P C 1.637 178.902 177.300 -0.058 0.000 1.148 76 P CA 1.536 64.666 63.100 0.050 0.000 0.822 76 P CB -0.154 31.592 31.700 0.077 0.000 0.784 77 L N -0.435 120.759 121.223 -0.049 0.000 2.217 77 L HA -0.043 4.297 4.340 -0.001 0.000 0.211 77 L C 1.823 178.624 176.870 -0.116 0.000 1.107 77 L CA 1.472 56.273 54.840 -0.064 0.000 0.783 77 L CB -1.148 40.893 42.059 -0.030 0.000 0.919 77 L HN -0.096 nan 8.230 nan 0.000 0.442 78 L N -1.299 119.810 121.223 -0.191 0.000 2.127 78 L HA -0.052 4.287 4.340 -0.001 0.000 0.203 78 L C 2.211 178.837 176.870 -0.408 0.000 1.080 78 L CA 1.673 56.342 54.840 -0.285 0.000 0.768 78 L CB -1.561 40.301 42.059 -0.328 0.000 0.924 78 L HN 0.313 nan 8.230 nan 0.000 0.444 79 L N 0.541 121.467 121.223 -0.496 0.000 2.263 79 L HA -0.210 4.129 4.340 -0.001 0.000 0.216 79 L C 2.436 179.204 176.870 -0.170 0.000 1.111 79 L CA 1.628 56.229 54.840 -0.399 0.000 0.773 79 L CB -0.971 40.892 42.059 -0.326 0.000 0.906 79 L HN 0.392 nan 8.230 nan 0.000 0.439 80 T N -0.679 113.791 114.554 -0.139 0.000 2.814 80 T HA -0.096 4.253 4.350 -0.001 0.000 0.254 80 T C 1.770 176.472 174.700 0.004 0.000 1.037 80 T CA 1.394 63.459 62.100 -0.058 0.000 1.143 80 T CB -0.047 68.780 68.868 -0.069 0.000 0.866 80 T HN 0.335 nan 8.240 nan 0.000 0.431 81 V N 0.527 120.416 119.914 -0.042 0.000 3.380 81 V HA 0.313 4.433 4.120 -0.001 0.000 0.268 81 V C 2.220 178.305 176.094 -0.015 0.000 1.168 81 V CA 1.096 63.386 62.300 -0.016 0.000 1.156 81 V CB -1.143 30.660 31.823 -0.034 0.000 0.785 81 V HN 0.392 nan 8.190 nan 0.000 0.487 82 A N 0.373 123.165 122.820 -0.048 0.000 1.855 82 A HA 0.010 4.329 4.320 -0.001 0.000 0.213 82 A C 1.980 179.590 177.584 0.042 0.000 1.195 82 A CA 1.586 53.605 52.037 -0.031 0.000 0.610 82 A CB -0.847 18.084 19.000 -0.116 0.000 0.837 82 A HN 0.640 nan 8.150 nan 0.000 0.444 83 F N 0.849 120.765 119.950 -0.058 0.000 2.134 83 F HA -0.096 4.431 4.527 -0.001 0.000 0.299 83 F C 1.881 177.677 175.800 -0.007 0.000 1.097 83 F CA 1.545 59.532 58.000 -0.021 0.000 1.264 83 F CB -0.204 38.780 39.000 -0.026 0.000 1.001 83 F HN 0.110 nan 8.300 nan 0.000 0.479 84 L N -1.318 120.112 121.223 0.346 0.000 2.156 84 L HA -0.222 4.117 4.340 -0.001 0.000 0.208 84 L C 2.610 179.528 176.870 0.080 0.000 1.095 84 L CA 0.922 55.905 54.840 0.238 0.000 0.770 84 L CB -1.073 41.084 42.059 0.163 0.000 0.914 84 L HN 0.262 nan 8.230 nan 0.000 0.439 85 C N -0.755 118.569 119.300 0.040 0.000 2.440 85 C HA -0.117 4.342 4.460 -0.001 0.000 0.278 85 C C 3.167 178.153 174.990 -0.007 0.000 1.295 85 C CA 1.063 60.089 59.018 0.012 0.000 1.738 85 C CB -0.387 27.353 27.740 0.001 0.000 1.987 85 C HN 0.482 nan 8.230 nan 0.000 0.492 86 S N 0.505 116.177 115.700 -0.047 0.000 2.371 86 S HA -0.033 4.436 4.470 -0.001 0.000 0.224 86 S C 2.171 176.718 174.600 -0.088 0.000 1.029 86 S CA 1.148 59.304 58.200 -0.074 0.000 0.978 86 S CB -0.424 62.699 63.200 -0.128 0.000 0.833 86 S HN 0.691 nan 8.310 nan 0.000 0.466 87 A N 1.305 124.018 122.820 -0.179 0.000 1.883 87 A HA -0.093 4.226 4.320 -0.001 0.000 0.217 87 A C 2.330 179.926 177.584 0.019 0.000 1.186 87 A CA 1.786 53.743 52.037 -0.133 0.000 0.624 87 A CB -1.068 17.871 19.000 -0.102 0.000 0.822 87 A HN 0.338 nan 8.150 nan 0.000 0.444 88 V N -0.122 119.820 119.914 0.048 0.000 2.295 88 V HA -0.248 3.871 4.120 -0.001 0.000 0.246 88 V C 2.569 178.735 176.094 0.121 0.000 1.049 88 V CA 1.952 64.301 62.300 0.082 0.000 1.024 88 V CB -0.712 31.150 31.823 0.065 0.000 0.648 88 V HN 0.560 nan 8.190 nan 0.000 0.447 89 L N -0.300 120.976 121.223 0.088 0.000 2.093 89 L HA -0.146 4.193 4.340 -0.001 0.000 0.208 89 L C 2.695 179.683 176.870 0.196 0.000 1.085 89 L CA 1.414 56.317 54.840 0.105 0.000 0.755 89 L CB -0.679 41.406 42.059 0.043 0.000 0.904 89 L HN 0.376 nan 8.230 nan 0.000 0.435 90 A N -0.016 122.910 122.820 0.176 0.000 1.851 90 A HA -0.270 4.049 4.320 -0.001 0.000 0.216 90 A C 2.277 180.106 177.584 0.408 0.000 1.195 90 A CA 1.920 54.125 52.037 0.280 0.000 0.622 90 A CB -0.546 18.592 19.000 0.229 0.000 0.831 90 A HN 0.314 nan 8.150 nan 0.000 0.444 91 M N -1.905 117.862 119.600 0.278 0.000 2.073 91 M HA -0.168 4.311 4.480 -0.001 0.000 0.258 91 M C 2.149 178.639 176.300 0.316 0.000 1.070 91 M CA 2.205 57.658 55.300 0.254 0.000 1.103 91 M CB -0.641 32.042 32.600 0.138 0.000 1.321 91 M HN 0.537 nan 8.290 nan 0.000 0.405 92 F N 0.959 120.999 119.950 0.150 0.000 2.176 92 F HA -0.208 4.318 4.527 -0.001 0.000 0.301 92 F C 1.917 177.853 175.800 0.227 0.000 1.071 92 F CA 1.863 59.952 58.000 0.149 0.000 1.289 92 F CB -0.587 38.475 39.000 0.103 0.000 1.028 92 F HN 0.067 nan 8.300 nan 0.000 0.494 93 G N -1.855 107.189 108.800 0.407 0.000 2.490 93 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.211 93 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.211 93 G C 1.313 176.257 174.900 0.074 0.000 1.159 93 G CA 0.460 45.712 45.100 0.254 0.000 0.819 93 G HN 0.427 nan 8.290 nan 0.000 0.539 94 Y N 0.081 120.405 120.300 0.040 0.000 2.114 94 Y HA -0.120 4.429 4.550 -0.001 0.000 0.282 94 Y C 2.390 178.207 175.900 -0.139 0.000 1.165 94 Y CA 1.692 59.737 58.100 -0.092 0.000 1.148 94 Y CB -0.569 37.863 38.460 -0.047 0.000 0.972 94 Y HN 0.223 nan 8.280 nan 0.000 0.504 95 F N 0.053 120.009 119.950 0.011 0.000 2.011 95 F HA -0.291 4.235 4.527 -0.001 0.000 0.296 95 F C 2.165 177.896 175.800 -0.115 0.000 1.144 95 F CA 1.400 59.351 58.000 -0.081 0.000 1.185 95 F CB -0.754 38.197 39.000 -0.081 0.000 0.961 95 F HN -0.083 nan 8.300 nan 0.000 0.485 96 L N 0.185 121.421 121.223 0.021 0.000 2.283 96 L HA -0.243 4.096 4.340 -0.001 0.000 0.217 96 L C 2.145 178.962 176.870 -0.087 0.000 1.104 96 L CA 1.244 56.057 54.840 -0.045 0.000 0.772 96 L CB -1.246 40.737 42.059 -0.126 0.000 0.899 96 L HN 0.234 nan 8.230 nan 0.000 0.439 97 V N -1.214 118.588 119.914 -0.186 0.000 2.492 97 V HA -0.077 4.042 4.120 -0.001 0.000 0.241 97 V C 2.527 178.432 176.094 -0.316 0.000 1.041 97 V CA 0.636 62.803 62.300 -0.220 0.000 1.057 97 V CB -0.205 31.461 31.823 -0.262 0.000 0.711 97 V HN 0.331 nan 8.190 nan 0.000 0.468 98 R N 0.670 120.912 120.500 -0.430 0.000 2.081 98 R HA -0.156 4.183 4.340 -0.001 0.000 0.235 98 R C 2.171 178.188 176.300 -0.472 0.000 1.131 98 R CA 1.417 57.241 56.100 -0.460 0.000 0.960 98 R CB -0.587 29.430 30.300 -0.472 0.000 0.856 98 R HN 0.335 nan 8.270 nan 0.000 0.436 99 K N 0.351 120.332 120.400 -0.698 0.000 1.984 99 K HA -0.111 4.208 4.320 -0.001 0.000 0.209 99 K C 1.624 177.755 176.600 -0.781 0.000 1.046 99 K CA 1.644 57.377 56.287 -0.925 0.000 0.934 99 K CB -0.210 31.352 32.500 -1.563 0.000 0.717 99 K HN 0.202 nan 8.250 nan 0.000 0.438 100 Y N -1.863 118.260 120.300 -0.294 0.000 2.462 100 Y HA 0.498 5.048 4.550 -0.001 0.000 0.253 100 Y C -0.063 175.742 175.900 -0.158 0.000 1.095 100 Y CA -0.034 57.958 58.100 -0.181 0.000 1.283 100 Y CB 0.940 39.317 38.460 -0.138 0.000 1.138 100 Y HN 0.069 nan 8.280 nan 0.000 0.522 101 A N -0.094 122.690 122.820 -0.061 0.000 2.969 101 A HA 0.429 4.748 4.320 -0.001 0.000 0.303 101 A C -2.453 175.048 177.584 -0.138 0.000 1.198 101 A CA -0.895 51.085 52.037 -0.094 0.000 0.819 101 A CB 0.325 19.277 19.000 -0.080 0.000 1.385 101 A HN -0.061 nan 8.150 nan 0.000 0.479 102 P HA -0.216 nan 4.420 nan 0.000 0.216 102 P C 1.154 178.373 177.300 -0.134 0.000 1.150 102 P CA 1.899 64.900 63.100 -0.166 0.000 0.837 102 P CB 0.207 31.833 31.700 -0.122 0.000 0.786 103 E N -0.266 119.870 120.200 -0.107 0.000 2.338 103 E HA -0.022 4.328 4.350 -0.001 0.000 0.197 103 E C 1.655 178.198 176.600 -0.096 0.000 1.007 103 E CA 0.933 57.280 56.400 -0.088 0.000 0.849 103 E CB -0.726 28.924 29.700 -0.084 0.000 0.774 103 E HN 0.156 nan 8.360 nan 0.000 0.506 104 A N 1.605 124.359 122.820 -0.111 0.000 2.251 104 A HA 0.293 4.612 4.320 -0.001 0.000 0.209 104 A C 1.271 178.784 177.584 -0.118 0.000 1.187 104 A CA 0.220 52.196 52.037 -0.103 0.000 0.823 104 A CB -0.250 18.697 19.000 -0.089 0.000 0.846 104 A HN 0.255 nan 8.150 nan 0.000 0.486 105 G N -1.471 107.239 108.800 -0.149 0.000 2.651 105 G HA2 0.519 4.479 3.960 -0.001 0.000 0.260 105 G HA3 0.519 4.479 3.960 -0.001 0.000 0.260 105 G C 0.858 175.675 174.900 -0.138 0.000 1.216 105 G CA 0.126 45.118 45.100 -0.181 0.000 0.913 105 G HN 1.407 nan 8.290 nan 0.000 0.535 106 G N -0.509 108.189 108.800 -0.170 0.000 2.591 106 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.278 106 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.278 106 G C 1.566 176.462 174.900 -0.005 0.000 1.293 106 G CA 1.111 46.086 45.100 -0.208 0.000 0.930 106 G HN 1.786 nan 8.290 nan 0.000 0.562 107 S N -0.560 115.247 115.700 0.178 0.000 2.354 107 S HA 0.195 4.664 4.470 -0.001 0.000 0.219 107 S C 2.573 177.206 174.600 0.057 0.000 1.035 107 S CA 3.376 61.754 58.200 0.297 0.000 1.037 107 S CB -0.752 62.754 63.200 0.510 0.000 0.956 107 S HN 2.898 nan 8.310 nan 0.000 0.428 108 G N 0.157 108.955 108.800 -0.003 0.000 2.213 108 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.226 108 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.226 108 G C 0.880 175.711 174.900 -0.114 0.000 0.992 108 G CA 0.331 45.394 45.100 -0.063 0.000 0.632 108 G HN 0.532 nan 8.290 nan 0.000 0.511 109 I N 1.582 122.024 120.570 -0.214 0.000 2.252 109 I HA -0.081 4.088 4.170 -0.001 0.000 0.245 109 I C 0.127 176.088 176.117 -0.259 0.000 1.102 109 I CA 1.813 62.913 61.300 -0.333 0.000 1.385 109 I CB -1.034 36.515 38.000 -0.751 0.000 1.064 109 I HN 0.162 nan 8.210 nan 0.000 0.414 110 P HA -0.164 nan 4.420 nan 0.000 0.218 110 P C 1.385 178.664 177.300 -0.035 0.000 1.149 110 P CA 1.263 64.333 63.100 -0.050 0.000 0.817 110 P CB 0.071 31.805 31.700 0.057 0.000 0.785 111 E N -0.185 119.987 120.200 -0.046 0.000 2.051 111 E HA -0.146 4.203 4.350 -0.001 0.000 0.192 111 E C 1.958 178.534 176.600 -0.041 0.000 0.991 111 E CA 1.094 57.472 56.400 -0.037 0.000 0.799 111 E CB -0.980 28.692 29.700 -0.046 0.000 0.748 111 E HN 0.059 nan 8.360 nan 0.000 0.449 112 I N 0.751 121.285 120.570 -0.059 0.000 2.394 112 I HA -0.180 3.989 4.170 -0.001 0.000 0.251 112 I C 2.344 178.427 176.117 -0.057 0.000 1.136 112 I CA 1.188 62.457 61.300 -0.052 0.000 1.425 112 I CB -0.898 37.068 38.000 -0.056 0.000 1.079 112 I HN 0.322 nan 8.210 nan 0.000 0.425 113 E N 1.076 121.236 120.200 -0.067 0.000 2.077 113 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 113 E C 2.299 178.876 176.600 -0.038 0.000 0.989 113 E CA 1.359 57.721 56.400 -0.063 0.000 0.800 113 E CB -0.181 29.495 29.700 -0.040 0.000 0.746 113 E HN 0.477 nan 8.360 nan 0.000 0.452 114 G N 0.916 109.705 108.800 -0.018 0.000 2.514 114 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.217 114 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.217 114 G C 1.669 176.566 174.900 -0.005 0.000 1.198 114 G CA 1.225 46.323 45.100 -0.003 0.000 0.780 114 G HN 0.428 nan 8.290 nan 0.000 0.565 115 A N 0.123 122.942 122.820 -0.002 0.000 2.084 115 A HA 0.039 4.358 4.320 -0.001 0.000 0.221 115 A C 2.380 179.976 177.584 0.020 0.000 1.161 115 A CA 1.332 53.384 52.037 0.024 0.000 0.653 115 A CB -0.318 18.699 19.000 0.029 0.000 0.802 115 A HN 0.404 nan 8.150 nan 0.000 0.457 116 L N -0.879 120.307 121.223 -0.062 0.000 2.240 116 L HA -0.045 4.294 4.340 -0.001 0.000 0.211 116 L C 1.862 178.568 176.870 -0.274 0.000 1.106 116 L CA 0.683 55.389 54.840 -0.223 0.000 0.793 116 L CB -0.245 41.675 42.059 -0.232 0.000 0.927 116 L HN 0.340 nan 8.230 nan 0.000 0.446 117 E N -0.577 119.566 120.200 -0.096 0.000 2.489 117 E HA -0.065 4.284 4.350 -0.001 0.000 0.193 117 E C -0.379 176.240 176.600 0.031 0.000 1.057 117 E CA 0.161 56.540 56.400 -0.035 0.000 0.866 117 E CB -0.020 29.681 29.700 0.003 0.000 0.916 117 E HN 0.306 nan 8.360 nan 0.000 0.500 118 D N 1.278 121.720 120.400 0.069 0.000 2.746 118 D HA -0.164 4.476 4.640 -0.001 0.000 0.241 118 D C 0.283 176.618 176.300 0.059 0.000 1.140 118 D CA 0.537 54.597 54.000 0.100 0.000 0.707 118 D CB -0.630 40.250 40.800 0.134 0.000 1.034 118 D HN 0.269 nan 8.370 nan 0.000 0.423 119 Q N -0.702 119.123 119.800 0.041 0.000 2.073 119 Q HA 0.126 4.465 4.340 -0.001 0.000 0.215 119 Q C 0.221 176.235 176.000 0.024 0.000 0.776 119 Q CA 0.105 55.925 55.803 0.028 0.000 1.008 119 Q CB 1.429 30.178 28.738 0.019 0.000 1.196 119 Q HN 0.226 nan 8.270 nan 0.000 0.458 120 R N 0.688 121.205 120.500 0.028 0.000 2.668 120 R HA 0.546 4.885 4.340 -0.001 0.000 0.272 120 R C -2.743 173.574 176.300 0.029 0.000 1.019 120 R CA -1.743 54.370 56.100 0.020 0.000 0.894 120 R CB 1.154 31.458 30.300 0.007 0.000 1.228 120 R HN -0.094 nan 8.270 nan 0.000 0.460 121 P HA 0.287 nan 4.420 nan 0.000 0.281 121 P C -0.436 176.864 177.300 -0.000 0.000 1.249 121 P CA -0.609 62.514 63.100 0.037 0.000 0.810 121 P CB 0.774 32.499 31.700 0.042 0.000 1.008 122 V N 3.454 123.381 119.914 0.021 0.000 2.192 122 V HA 0.201 4.321 4.120 -0.001 0.000 0.264 122 V C 0.866 176.837 176.094 -0.205 0.000 1.155 122 V CA -0.418 61.871 62.300 -0.019 0.000 1.005 122 V CB -0.538 31.336 31.823 0.085 0.000 1.201 122 V HN 0.420 nan 8.190 nan 0.000 0.468 123 R N 4.176 124.393 120.500 -0.471 0.000 4.154 123 R HA 0.027 4.367 4.340 -0.001 0.000 0.186 123 R C 1.455 176.926 176.300 -1.383 0.000 1.750 123 R CA -0.192 55.129 56.100 -1.300 0.000 1.431 123 R CB -0.023 29.766 30.300 -0.851 0.000 1.383 123 R HN 0.922 nan 8.270 nan 0.000 0.788 124 W N 1.693 122.386 121.300 -1.012 0.000 2.354 124 W HA -0.247 4.413 4.660 -0.001 0.000 0.315 124 W C 1.006 177.334 176.519 -0.318 0.000 1.206 124 W CA 0.852 57.938 57.345 -0.431 0.000 1.290 124 W CB -1.265 28.133 29.460 -0.102 0.000 1.152 124 W HN 0.494 nan 8.180 nan 0.000 0.489 125 W N 1.771 122.636 121.300 -0.725 0.000 2.303 125 W HA -0.148 4.511 4.660 -0.001 0.000 0.287 125 W C 2.180 178.590 176.519 -0.182 0.000 1.213 125 W CA 1.881 58.876 57.345 -0.585 0.000 1.203 125 W CB -1.348 27.582 29.460 -0.883 0.000 1.136 125 W HN -0.150 nan 8.180 nan 0.000 0.547 126 R N 0.457 120.549 120.500 -0.681 0.000 2.051 126 R HA 0.010 4.349 4.340 -0.001 0.000 0.218 126 R C 2.280 178.470 176.300 -0.182 0.000 1.188 126 R CA 1.362 57.260 56.100 -0.337 0.000 0.992 126 R CB -0.732 29.309 30.300 -0.433 0.000 0.883 126 R HN 0.166 nan 8.270 nan 0.000 0.444 127 V N 2.227 121.998 119.914 -0.238 0.000 2.358 127 V HA -0.228 3.892 4.120 -0.001 0.000 0.246 127 V C 2.493 178.580 176.094 -0.011 0.000 1.047 127 V CA 1.535 63.767 62.300 -0.113 0.000 1.035 127 V CB -0.659 31.082 31.823 -0.136 0.000 0.658 127 V HN 0.274 nan 8.190 nan 0.000 0.452 128 L N 0.610 121.851 121.223 0.030 0.000 1.965 128 L HA -0.195 4.144 4.340 -0.001 0.000 0.226 128 L C 0.528 177.479 176.870 0.135 0.000 1.083 128 L CA 2.620 57.511 54.840 0.085 0.000 0.790 128 L CB -2.219 39.917 42.059 0.129 0.000 0.898 128 L HN 0.356 nan 8.230 nan 0.000 0.439 129 P HA -0.127 nan 4.420 nan 0.000 0.215 129 P C 1.914 179.434 177.300 0.367 0.000 1.153 129 P CA 1.503 64.790 63.100 0.311 0.000 0.853 129 P CB -0.044 31.776 31.700 0.200 0.000 0.788 130 V N 0.680 120.699 119.914 0.175 0.000 2.295 130 V HA -0.224 3.895 4.120 -0.001 0.000 0.246 130 V C 2.816 179.006 176.094 0.161 0.000 1.049 130 V CA 2.256 64.639 62.300 0.138 0.000 1.024 130 V CB -1.161 30.683 31.823 0.037 0.000 0.648 130 V HN 0.084 nan 8.190 nan 0.000 0.447 131 K N -0.106 120.358 120.400 0.107 0.000 2.001 131 K HA -0.139 4.180 4.320 -0.001 0.000 0.208 131 K C 1.904 178.572 176.600 0.113 0.000 1.048 131 K CA 1.580 57.901 56.287 0.056 0.000 0.932 131 K CB -0.746 31.743 32.500 -0.019 0.000 0.715 131 K HN 0.299 nan 8.250 nan 0.000 0.437 132 F N 0.129 120.076 119.950 -0.006 0.000 2.015 132 F HA -0.280 4.246 4.527 -0.001 0.000 0.297 132 F C 1.769 177.584 175.800 0.024 0.000 1.141 132 F CA 2.186 60.170 58.000 -0.026 0.000 1.192 132 F CB -0.560 38.307 39.000 -0.221 0.000 0.957 132 F HN 0.055 nan 8.300 nan 0.000 0.491 133 F N 0.366 120.591 119.950 0.459 0.000 2.234 133 F HA 0.023 4.549 4.527 -0.001 0.000 0.299 133 F C 2.560 178.571 175.800 0.353 0.000 1.087 133 F CA 1.033 59.259 58.000 0.376 0.000 1.340 133 F CB -1.455 37.819 39.000 0.457 0.000 1.031 133 F HN 0.101 nan 8.300 nan 0.000 0.500 134 G N 0.110 109.155 108.800 0.408 0.000 2.453 134 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.215 134 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.215 134 G C 2.068 177.088 174.900 0.201 0.000 1.201 134 G CA 0.887 46.146 45.100 0.264 0.000 0.784 134 G HN 0.473 nan 8.290 nan 0.000 0.545 135 G N 0.531 109.434 108.800 0.172 0.000 2.402 135 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.216 135 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.216 135 G C 1.692 176.673 174.900 0.136 0.000 1.162 135 G CA 0.785 45.999 45.100 0.191 0.000 0.777 135 G HN 0.324 nan 8.290 nan 0.000 0.539 136 L N 1.536 122.787 121.223 0.047 0.000 2.283 136 L HA -0.079 4.260 4.340 -0.001 0.000 0.217 136 L C 2.510 179.315 176.870 -0.108 0.000 1.104 136 L CA 1.861 56.544 54.840 -0.261 0.000 0.772 136 L CB -0.663 41.224 42.059 -0.286 0.000 0.899 136 L HN 0.244 nan 8.230 nan 0.000 0.439 137 G N -3.317 105.510 108.800 0.044 0.000 2.651 137 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.207 137 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.207 137 G C 1.406 176.356 174.900 0.082 0.000 1.131 137 G CA 0.634 45.777 45.100 0.072 0.000 0.816 137 G HN 0.432 nan 8.290 nan 0.000 0.534 138 T N 0.900 115.508 114.554 0.091 0.000 2.777 138 T HA 0.054 4.403 4.350 -0.001 0.000 0.266 138 T C 2.381 177.113 174.700 0.055 0.000 1.040 138 T CA 0.688 62.834 62.100 0.077 0.000 1.141 138 T CB -0.246 68.640 68.868 0.030 0.000 0.868 138 T HN 0.113 nan 8.240 nan 0.000 0.444 139 L N 0.962 122.206 121.223 0.035 0.000 2.072 139 L HA 0.139 4.479 4.340 -0.001 0.000 0.205 139 L C 3.198 180.054 176.870 -0.023 0.000 1.079 139 L CA 1.406 56.251 54.840 0.009 0.000 0.752 139 L CB -1.376 40.682 42.059 -0.003 0.000 0.906 139 L HN 0.450 nan 8.230 nan 0.000 0.436 140 G N 0.219 108.989 108.800 -0.051 0.000 2.440 140 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.218 140 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.218 140 G C 1.505 176.402 174.900 -0.005 0.000 1.154 140 G CA 0.815 45.892 45.100 -0.039 0.000 0.767 140 G HN 0.499 nan 8.290 nan 0.000 0.552 141 G N -0.402 108.405 108.800 0.011 0.000 2.679 141 G HA2 0.349 4.309 3.960 -0.001 0.000 0.212 141 G HA3 0.349 4.309 3.960 -0.001 0.000 0.212 141 G C 1.208 176.117 174.900 0.014 0.000 1.137 141 G CA 0.582 45.690 45.100 0.014 0.000 0.787 141 G HN 1.521 nan 8.290 nan 0.000 0.534 142 G N -0.391 108.421 108.800 0.019 0.000 2.142 142 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.225 142 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.225 142 G C 0.408 175.329 174.900 0.035 0.000 1.015 142 G CA 0.168 45.283 45.100 0.026 0.000 0.716 142 G HN 0.407 nan 8.290 nan 0.000 0.508 143 M N -0.358 119.269 119.600 0.045 0.000 2.207 143 M HA 0.284 4.763 4.480 -0.001 0.000 0.311 143 M C 1.134 177.470 176.300 0.061 0.000 1.127 143 M CA 0.033 55.371 55.300 0.063 0.000 1.181 143 M CB 0.786 33.441 32.600 0.092 0.000 1.409 143 M HN -0.066 nan 8.290 nan 0.000 0.461 144 V N 4.340 124.298 119.914 0.073 0.000 2.153 144 V HA 0.245 4.365 4.120 -0.001 0.000 0.250 144 V C -0.247 175.901 176.094 0.090 0.000 1.334 144 V CA 0.166 62.505 62.300 0.065 0.000 1.249 144 V CB -1.573 30.291 31.823 0.068 0.000 1.371 144 V HN 0.531 nan 8.190 nan 0.000 0.498 145 L N 1.897 123.165 121.223 0.075 0.000 2.540 145 L HA 0.865 5.204 4.340 -0.001 0.000 0.256 145 L C 0.365 177.269 176.870 0.056 0.000 1.001 145 L CA -0.638 54.264 54.840 0.104 0.000 0.843 145 L CB 1.922 44.071 42.059 0.150 0.000 1.436 145 L HN 0.401 nan 8.230 nan 0.000 0.410 146 G N -0.283 108.556 108.800 0.065 0.000 2.521 146 G HA2 0.545 4.505 3.960 -0.001 0.000 0.323 146 G HA3 0.545 4.505 3.960 -0.001 0.000 0.323 146 G C 0.171 175.082 174.900 0.018 0.000 1.211 146 G CA -0.636 44.473 45.100 0.015 0.000 0.979 146 G HN 0.688 nan 8.290 nan 0.000 0.490 147 R N -0.452 120.030 120.500 -0.030 0.000 2.235 147 R HA 0.006 4.345 4.340 -0.001 0.000 0.213 147 R C 2.035 178.189 176.300 -0.243 0.000 1.059 147 R CA 1.146 57.217 56.100 -0.048 0.000 0.997 147 R CB 0.102 30.410 30.300 0.013 0.000 0.884 147 R HN 0.597 nan 8.270 nan 0.000 0.462 148 E N 0.409 120.448 120.200 -0.269 0.000 2.051 148 E HA -0.114 4.235 4.350 -0.001 0.000 0.192 148 E C 2.027 178.487 176.600 -0.233 0.000 0.991 148 E CA 1.329 57.524 56.400 -0.342 0.000 0.799 148 E CB -0.761 28.738 29.700 -0.334 0.000 0.748 148 E HN 0.377 nan 8.360 nan 0.000 0.449 149 G N 2.053 110.796 108.800 -0.094 0.000 2.777 149 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.217 149 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.217 149 G C -0.820 173.978 174.900 -0.171 0.000 1.295 149 G CA 1.403 46.471 45.100 -0.053 0.000 0.800 149 G HN 0.265 nan 8.290 nan 0.000 0.637 150 P HA -0.201 nan 4.420 nan 0.000 0.216 150 P C 2.473 179.506 177.300 -0.446 0.000 1.167 150 P CA 3.090 65.929 63.100 -0.435 0.000 0.914 150 P CB -0.630 30.560 31.700 -0.851 0.000 0.793 151 T N -2.994 111.265 114.554 -0.491 0.000 2.720 151 T HA -0.135 4.215 4.350 -0.001 0.000 0.268 151 T C 1.841 176.391 174.700 -0.249 0.000 1.037 151 T CA 1.707 63.586 62.100 -0.368 0.000 1.144 151 T CB -1.582 67.084 68.868 -0.336 0.000 0.864 151 T HN -0.128 nan 8.240 nan 0.000 0.444 152 V N 1.860 121.631 119.914 -0.239 0.000 2.295 152 V HA -0.211 3.908 4.120 -0.001 0.000 0.246 152 V C 2.965 178.989 176.094 -0.116 0.000 1.049 152 V CA 2.194 64.394 62.300 -0.165 0.000 1.024 152 V CB -0.950 30.775 31.823 -0.163 0.000 0.648 152 V HN 0.546 nan 8.190 nan 0.000 0.447 153 Q N -0.329 119.393 119.800 -0.130 0.000 2.016 153 Q HA -0.166 4.173 4.340 -0.001 0.000 0.200 153 Q C 2.295 178.240 176.000 -0.093 0.000 0.978 153 Q CA 1.927 57.669 55.803 -0.101 0.000 0.833 153 Q CB -0.179 28.497 28.738 -0.103 0.000 0.895 153 Q HN 0.607 nan 8.270 nan 0.000 0.427 154 I N 0.496 120.994 120.570 -0.119 0.000 2.399 154 I HA -0.271 3.899 4.170 -0.001 0.000 0.254 154 I C 2.146 178.215 176.117 -0.081 0.000 1.146 154 I CA 1.096 62.342 61.300 -0.090 0.000 1.412 154 I CB -0.618 37.314 38.000 -0.114 0.000 1.076 154 I HN 0.395 nan 8.210 nan 0.000 0.432 155 G N 0.576 109.318 108.800 -0.097 0.000 2.434 155 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.214 155 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.214 155 G C 1.707 176.566 174.900 -0.067 0.000 1.202 155 G CA 0.755 45.805 45.100 -0.084 0.000 0.788 155 G HN 0.459 nan 8.290 nan 0.000 0.539 156 G N 1.054 109.822 108.800 -0.053 0.000 2.446 156 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.217 156 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.217 156 G C 1.759 176.638 174.900 -0.035 0.000 1.168 156 G CA 1.347 46.425 45.100 -0.038 0.000 0.771 156 G HN 0.417 nan 8.290 nan 0.000 0.551 157 N N 0.821 119.504 118.700 -0.028 0.000 2.018 157 N HA -0.131 4.608 4.740 -0.001 0.000 0.196 157 N C 2.174 177.642 175.510 -0.070 0.000 1.043 157 N CA 1.235 54.286 53.050 0.003 0.000 0.856 157 N CB -0.389 38.117 38.487 0.033 0.000 1.042 157 N HN 0.176 nan 8.380 nan 0.000 0.423 158 I N 0.535 121.053 120.570 -0.087 0.000 2.290 158 I HA -0.234 3.935 4.170 -0.001 0.000 0.253 158 I C 2.235 178.248 176.117 -0.173 0.000 1.112 158 I CA 1.507 62.722 61.300 -0.142 0.000 1.377 158 I CB -1.841 36.095 38.000 -0.107 0.000 1.060 158 I HN 0.194 nan 8.210 nan 0.000 0.428 159 G N 0.715 109.441 108.800 -0.123 0.000 2.453 159 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.215 159 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.215 159 G C 1.841 176.667 174.900 -0.124 0.000 1.201 159 G CA 0.927 45.962 45.100 -0.108 0.000 0.784 159 G HN 0.241 nan 8.290 nan 0.000 0.545 160 R N 0.203 120.642 120.500 -0.102 0.000 2.081 160 R HA 0.085 4.425 4.340 -0.001 0.000 0.235 160 R C 2.494 178.624 176.300 -0.283 0.000 1.131 160 R CA 1.672 57.728 56.100 -0.073 0.000 0.960 160 R CB -0.817 29.535 30.300 0.086 0.000 0.856 160 R HN 0.375 nan 8.270 nan 0.000 0.436 161 M N 0.086 119.267 119.600 -0.698 0.000 2.108 161 M HA -0.191 4.288 4.480 -0.001 0.000 0.257 161 M C 1.875 177.832 176.300 -0.573 0.000 1.071 161 M CA 2.533 57.033 55.300 -1.333 0.000 1.093 161 M CB -0.219 31.575 32.600 -1.342 0.000 1.345 161 M HN 0.201 nan 8.290 nan 0.000 0.403 162 V N -0.608 119.126 119.914 -0.302 0.000 3.129 162 V HA -0.110 4.010 4.120 -0.001 0.000 0.259 162 V C 1.904 177.999 176.094 0.000 0.000 1.116 162 V CA 0.993 63.236 62.300 -0.095 0.000 1.127 162 V CB -0.504 31.198 31.823 -0.201 0.000 0.742 162 V HN 0.527 nan 8.190 nan 0.000 0.474 163 L N 1.371 122.569 121.223 -0.042 0.000 1.988 163 L HA -0.019 4.321 4.340 -0.001 0.000 0.207 163 L C 2.254 179.186 176.870 0.103 0.000 1.071 163 L CA 2.596 57.454 54.840 0.029 0.000 0.744 163 L CB -0.902 41.169 42.059 0.019 0.000 0.893 163 L HN 0.314 nan 8.230 nan 0.000 0.433 164 D N -0.012 120.452 120.400 0.107 0.000 2.088 164 D HA -0.223 4.416 4.640 -0.001 0.000 0.191 164 D C 2.273 178.668 176.300 0.159 0.000 0.992 164 D CA 2.101 56.206 54.000 0.176 0.000 0.831 164 D CB -0.388 40.615 40.800 0.339 0.000 0.973 164 D HN 0.408 nan 8.370 nan 0.000 0.447 165 I N -0.443 120.214 120.570 0.145 0.000 2.800 165 I HA -0.216 3.954 4.170 -0.001 0.000 0.266 165 I C 0.971 177.102 176.117 0.023 0.000 1.249 165 I CA 0.805 62.166 61.300 0.103 0.000 1.458 165 I CB -0.136 37.913 38.000 0.081 0.000 1.093 165 I HN -0.082 nan 8.210 nan 0.000 0.466 166 F N -0.019 119.933 119.950 0.004 0.000 2.698 166 F HA 0.305 4.831 4.527 -0.001 0.000 0.304 166 F C 0.974 176.783 175.800 0.016 0.000 1.108 166 F CA -0.474 57.534 58.000 0.013 0.000 1.263 166 F CB 0.162 39.173 39.000 0.018 0.000 1.013 166 F HN -0.183 nan 8.300 nan 0.000 0.532 167 R N 0.622 121.207 120.500 0.141 0.000 3.653 167 R HA -0.234 4.106 4.340 -0.001 0.000 0.258 167 R C -0.006 176.350 176.300 0.093 0.000 1.104 167 R CA 0.195 56.352 56.100 0.094 0.000 0.730 167 R CB -2.158 28.172 30.300 0.050 0.000 1.090 167 R HN 0.364 nan 8.270 nan 0.000 0.490 168 L N 0.672 121.966 121.223 0.118 0.000 2.506 168 L HA 0.022 4.361 4.340 -0.001 0.000 0.281 168 L C 0.800 177.700 176.870 0.049 0.000 1.228 168 L CA 1.066 55.955 54.840 0.081 0.000 0.850 168 L CB 0.355 42.456 42.059 0.071 0.000 1.110 168 L HN 0.118 nan 8.230 nan 0.000 0.496 169 K N 1.383 121.801 120.400 0.031 0.000 2.443 169 K HA 0.812 5.131 4.320 -0.001 0.000 0.251 169 K C -0.674 175.925 176.600 -0.001 0.000 0.972 169 K CA -0.085 56.211 56.287 0.015 0.000 0.833 169 K CB 2.098 34.608 32.500 0.017 0.000 1.317 169 K HN 0.713 nan 8.250 nan 0.000 0.441 170 G N 1.815 110.605 108.800 -0.018 0.000 2.357 170 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.643 170 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.643 170 G C -0.664 174.188 174.900 -0.080 0.000 1.358 170 G CA -0.481 44.599 45.100 -0.033 0.000 0.986 170 G HN 0.612 nan 8.290 nan 0.000 0.620 171 D N -0.562 119.783 120.400 -0.093 0.000 2.183 171 D HA 0.035 4.674 4.640 -0.001 0.000 0.205 171 D C 2.032 178.217 176.300 -0.191 0.000 0.962 171 D CA 1.282 55.169 54.000 -0.187 0.000 0.849 171 D CB 0.110 40.842 40.800 -0.113 0.000 0.978 171 D HN 0.572 nan 8.370 nan 0.000 0.488 172 E N 0.459 120.614 120.200 -0.075 0.000 2.005 172 E HA -0.208 4.141 4.350 -0.001 0.000 0.198 172 E C 1.917 178.492 176.600 -0.041 0.000 1.010 172 E CA 1.284 57.663 56.400 -0.034 0.000 0.825 172 E CB -0.085 29.614 29.700 -0.002 0.000 0.769 172 E HN 0.155 nan 8.360 nan 0.000 0.456 173 A N 0.923 123.721 122.820 -0.036 0.000 2.076 173 A HA -0.215 4.104 4.320 -0.001 0.000 0.220 173 A C 2.093 179.655 177.584 -0.037 0.000 1.160 173 A CA 1.622 53.644 52.037 -0.025 0.000 0.653 173 A CB -0.523 18.470 19.000 -0.012 0.000 0.801 173 A HN 0.230 nan 8.150 nan 0.000 0.455 174 R N -1.473 118.973 120.500 -0.090 0.000 2.080 174 R HA -0.050 4.289 4.340 -0.001 0.000 0.222 174 R C 1.931 178.221 176.300 -0.016 0.000 1.107 174 R CA 1.422 57.468 56.100 -0.090 0.000 0.980 174 R CB -0.293 29.899 30.300 -0.179 0.000 0.879 174 R HN 0.764 nan 8.270 nan 0.000 0.439 175 H N -1.246 117.812 119.070 -0.020 0.000 2.403 175 H HA 0.032 4.588 4.556 -0.001 0.000 0.298 175 H C 1.844 177.146 175.328 -0.045 0.000 1.059 175 H CA 1.235 57.260 56.048 -0.038 0.000 1.363 175 H CB 0.257 29.985 29.762 -0.056 0.000 1.410 175 H HN 0.156 nan 8.280 nan 0.000 0.528 176 T N 1.369 115.969 114.554 0.077 0.000 2.545 176 T HA -0.147 4.202 4.350 -0.001 0.000 0.261 176 T C 2.092 176.798 174.700 0.010 0.000 1.097 176 T CA 0.984 63.100 62.100 0.027 0.000 1.189 176 T CB -0.407 68.470 68.868 0.015 0.000 0.863 176 T HN 0.185 nan 8.240 nan 0.000 0.405 177 L N 0.663 121.884 121.223 -0.003 0.000 2.263 177 L HA -0.128 4.211 4.340 -0.001 0.000 0.216 177 L C 2.415 179.272 176.870 -0.021 0.000 1.111 177 L CA 0.990 55.815 54.840 -0.025 0.000 0.773 177 L CB -0.607 41.427 42.059 -0.040 0.000 0.906 177 L HN 0.277 nan 8.230 nan 0.000 0.439 178 L N -0.254 120.972 121.223 0.006 0.000 2.068 178 L HA -0.017 4.322 4.340 -0.001 0.000 0.204 178 L C 2.667 179.532 176.870 -0.008 0.000 1.076 178 L CA 1.703 56.547 54.840 0.007 0.000 0.753 178 L CB -0.431 41.656 42.059 0.046 0.000 0.910 178 L HN 0.083 nan 8.230 nan 0.000 0.439 179 A N -0.860 121.955 122.820 -0.008 0.000 1.883 179 A HA -0.267 4.052 4.320 -0.001 0.000 0.217 179 A C 2.432 180.005 177.584 -0.019 0.000 1.186 179 A CA 2.537 54.558 52.037 -0.027 0.000 0.624 179 A CB -1.518 17.458 19.000 -0.040 0.000 0.822 179 A HN 0.605 nan 8.150 nan 0.000 0.444 180 T N -2.199 112.343 114.554 -0.019 0.000 2.833 180 T HA 0.037 4.386 4.350 -0.001 0.000 0.269 180 T C 1.831 176.511 174.700 -0.033 0.000 1.054 180 T CA 1.849 63.935 62.100 -0.023 0.000 1.135 180 T CB -0.709 68.145 68.868 -0.023 0.000 0.869 180 T HN 0.422 nan 8.240 nan 0.000 0.466 181 G N 0.892 109.668 108.800 -0.039 0.000 2.402 181 G HA2 0.094 4.053 3.960 -0.001 0.000 0.216 181 G HA3 0.094 4.053 3.960 -0.001 0.000 0.216 181 G C 1.946 176.821 174.900 -0.042 0.000 1.162 181 G CA 0.748 45.817 45.100 -0.051 0.000 0.777 181 G HN 0.749 nan 8.290 nan 0.000 0.539 182 A N 0.871 123.682 122.820 -0.016 0.000 1.969 182 A HA 0.376 4.696 4.320 -0.001 0.000 0.218 182 A C 2.715 180.332 177.584 0.054 0.000 1.169 182 A CA 2.045 54.095 52.037 0.022 0.000 0.635 182 A CB -0.531 18.508 19.000 0.064 0.000 0.810 182 A HN 0.645 nan 8.150 nan 0.000 0.445 183 A N -0.023 122.824 122.820 0.045 0.000 1.832 183 A HA 0.277 4.597 4.320 -0.001 0.000 0.214 183 A C 2.515 180.076 177.584 -0.039 0.000 1.204 183 A CA 1.758 53.821 52.037 0.044 0.000 0.606 183 A CB -1.272 17.735 19.000 0.013 0.000 0.849 183 A HN 1.112 nan 8.150 nan 0.000 0.445 184 A N -0.485 122.305 122.820 -0.050 0.000 2.042 184 A HA -0.009 4.310 4.320 -0.001 0.000 0.222 184 A C 2.283 179.813 177.584 -0.091 0.000 1.167 184 A CA 2.169 54.167 52.037 -0.065 0.000 0.649 184 A CB -1.311 17.656 19.000 -0.056 0.000 0.809 184 A HN 0.792 nan 8.150 nan 0.000 0.457 185 G N -0.767 107.972 108.800 -0.102 0.000 2.403 185 G HA2 -0.004 3.955 3.960 -0.001 0.000 0.216 185 G HA3 -0.004 3.955 3.960 -0.001 0.000 0.216 185 G C 1.485 176.251 174.900 -0.223 0.000 1.154 185 G CA 1.010 46.021 45.100 -0.149 0.000 0.784 185 G HN 0.493 nan 8.290 nan 0.000 0.538 186 L N 0.883 121.963 121.223 -0.239 0.000 2.049 186 L HA 0.327 4.667 4.340 -0.001 0.000 0.203 186 L C 3.138 179.871 176.870 -0.229 0.000 1.074 186 L CA 1.838 56.475 54.840 -0.339 0.000 0.749 186 L CB -0.558 41.202 42.059 -0.499 0.000 0.907 186 L HN 0.215 nan 8.230 nan 0.000 0.439 187 A N 0.216 122.942 122.820 -0.157 0.000 1.894 187 A HA -0.363 3.956 4.320 -0.001 0.000 0.220 187 A C 2.422 179.888 177.584 -0.197 0.000 1.237 187 A CA 2.731 54.690 52.037 -0.130 0.000 0.660 187 A CB -1.574 17.364 19.000 -0.103 0.000 0.835 187 A HN 0.621 nan 8.150 nan 0.000 0.461 188 A N -1.145 121.561 122.820 -0.190 0.000 2.070 188 A HA 0.241 4.560 4.320 -0.001 0.000 0.220 188 A C 2.292 179.684 177.584 -0.319 0.000 1.159 188 A CA 1.957 53.874 52.037 -0.200 0.000 0.656 188 A CB -0.701 18.257 19.000 -0.069 0.000 0.800 188 A HN 1.212 nan 8.150 nan 0.000 0.453 189 A N -2.123 120.471 122.820 -0.376 0.000 2.030 189 A HA 0.375 4.694 4.320 -0.001 0.000 0.215 189 A C 1.390 178.609 177.584 -0.608 0.000 1.164 189 A CA 0.682 52.414 52.037 -0.508 0.000 0.697 189 A CB -0.222 18.349 19.000 -0.714 0.000 0.827 189 A HN 0.493 nan 8.150 nan 0.000 0.457 190 F N -1.323 118.484 119.950 -0.239 0.000 2.729 190 F HA 0.251 4.777 4.527 -0.001 0.000 0.315 190 F C 0.717 176.329 175.800 -0.313 0.000 1.102 190 F CA -0.336 57.544 58.000 -0.200 0.000 1.204 190 F CB 0.498 39.428 39.000 -0.117 0.000 1.052 190 F HN 0.156 nan 8.300 nan 0.000 0.551 191 N N 2.223 120.673 118.700 -0.416 0.000 2.705 191 N HA -0.230 4.510 4.740 -0.001 0.000 0.255 191 N C -0.618 174.815 175.510 -0.128 0.000 1.008 191 N CA 0.766 53.578 53.050 -0.397 0.000 0.742 191 N CB -0.785 37.515 38.487 -0.311 0.000 0.906 191 N HN 0.363 nan 8.380 nan 0.000 0.541 192 A N 0.548 123.315 122.820 -0.089 0.000 3.082 192 A HA 0.542 4.861 4.320 -0.001 0.000 0.328 192 A C -1.516 176.032 177.584 -0.060 0.000 1.089 192 A CA -0.928 51.084 52.037 -0.042 0.000 0.802 192 A CB 1.107 20.112 19.000 0.009 0.000 1.138 192 A HN 0.160 nan 8.150 nan 0.000 0.474 193 P HA -0.218 nan 4.420 nan 0.000 0.212 193 P C 1.696 178.915 177.300 -0.136 0.000 1.178 193 P CA 1.140 64.184 63.100 -0.093 0.000 0.915 193 P CB 0.070 31.734 31.700 -0.060 0.000 0.788 194 L N -1.243 119.912 121.223 -0.113 0.000 2.042 194 L HA -0.201 4.138 4.340 -0.001 0.000 0.210 194 L C 2.497 179.319 176.870 -0.081 0.000 1.076 194 L CA 1.907 56.673 54.840 -0.123 0.000 0.749 194 L CB -1.501 40.519 42.059 -0.066 0.000 0.893 194 L HN -0.026 nan 8.230 nan 0.000 0.432 195 A N 0.608 123.399 122.820 -0.047 0.000 1.933 195 A HA -0.105 4.214 4.320 -0.001 0.000 0.218 195 A C 2.433 180.029 177.584 0.020 0.000 1.175 195 A CA 1.693 53.726 52.037 -0.007 0.000 0.628 195 A CB -1.121 17.869 19.000 -0.017 0.000 0.814 195 A HN 0.449 nan 8.150 nan 0.000 0.444 196 G N 0.154 108.937 108.800 -0.028 0.000 2.421 196 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.216 196 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.216 196 G C 1.525 176.448 174.900 0.037 0.000 1.171 196 G CA 1.125 46.222 45.100 -0.005 0.000 0.775 196 G HN 0.481 nan 8.290 nan 0.000 0.543 197 I N 0.373 120.888 120.570 -0.091 0.000 2.142 197 I HA -0.109 4.060 4.170 -0.001 0.000 0.240 197 I C 2.587 178.677 176.117 -0.044 0.000 1.078 197 I CA 0.571 61.786 61.300 -0.142 0.000 1.343 197 I CB -0.308 37.468 38.000 -0.373 0.000 1.046 197 I HN 0.056 nan 8.210 nan 0.000 0.405 198 L N 0.116 121.331 121.223 -0.013 0.000 2.131 198 L HA -0.229 4.110 4.340 -0.001 0.000 0.210 198 L C 2.546 179.463 176.870 0.078 0.000 1.092 198 L CA 1.855 56.710 54.840 0.024 0.000 0.759 198 L CB -1.206 40.871 42.059 0.030 0.000 0.903 198 L HN 0.250 nan 8.230 nan 0.000 0.435 199 F N 0.773 120.705 119.950 -0.031 0.000 2.069 199 F HA -0.275 4.251 4.527 -0.001 0.000 0.298 199 F C 2.343 178.134 175.800 -0.014 0.000 1.113 199 F CA 1.339 59.337 58.000 -0.003 0.000 1.214 199 F CB -0.289 38.698 39.000 -0.021 0.000 0.978 199 F HN -0.044 nan 8.300 nan 0.000 0.474 200 I N 1.657 122.100 120.570 -0.213 0.000 2.091 200 I HA -0.266 3.903 4.170 -0.001 0.000 0.239 200 I C 2.158 178.134 176.117 -0.234 0.000 1.061 200 I CA 1.532 62.654 61.300 -0.296 0.000 1.317 200 I CB -1.305 36.621 38.000 -0.124 0.000 1.031 200 I HN 0.371 nan 8.210 nan 0.000 0.401 201 I N -1.916 118.579 120.570 -0.124 0.000 3.784 201 I HA 0.151 4.320 4.170 -0.001 0.000 0.314 201 I C 0.953 177.021 176.117 -0.081 0.000 1.401 201 I CA 0.730 61.977 61.300 -0.088 0.000 1.254 201 I CB -0.294 37.684 38.000 -0.035 0.000 1.165 201 I HN 0.371 nan 8.210 nan 0.000 0.420 202 E N -0.081 120.048 120.200 -0.118 0.000 2.410 202 E HA 0.057 4.406 4.350 -0.001 0.000 0.188 202 E C 0.664 177.202 176.600 -0.102 0.000 0.980 202 E CA 0.297 56.648 56.400 -0.082 0.000 1.513 202 E CB 0.948 30.634 29.700 -0.024 0.000 2.654 202 E HN 0.407 nan 8.360 nan 0.000 1.016 203 V N 0.704 120.505 119.914 -0.189 0.000 3.159 203 V HA 0.074 4.193 4.120 -0.001 0.000 0.234 203 V C 1.663 177.603 176.094 -0.256 0.000 1.313 203 V CA 0.339 62.533 62.300 -0.177 0.000 1.271 203 V CB 0.652 32.401 31.823 -0.124 0.000 1.053 203 V HN 0.085 nan 8.190 nan 0.000 0.476 204 M N 1.042 120.393 119.600 -0.415 0.000 2.102 204 M HA 0.183 4.663 4.480 -0.001 0.000 0.240 204 M C 1.050 177.213 176.300 -0.228 0.000 1.170 204 M CA 0.721 55.818 55.300 -0.338 0.000 1.121 204 M CB -1.308 31.043 32.600 -0.416 0.000 1.180 204 M HN 0.439 nan 8.290 nan 0.000 0.436 205 R N 1.939 122.308 120.500 -0.218 0.000 3.568 205 R HA -0.129 4.211 4.340 -0.001 0.000 0.179 205 R C -2.524 173.673 176.300 -0.172 0.000 0.664 205 R CA -0.273 55.716 56.100 -0.185 0.000 0.918 205 R CB -1.811 28.397 30.300 -0.153 0.000 1.034 205 R HN 0.156 nan 8.270 nan 0.000 0.320 206 P HA -0.130 nan 4.420 nan 0.000 0.249 206 P C -0.336 176.900 177.300 -0.107 0.000 1.140 206 P CA 0.536 63.575 63.100 -0.101 0.000 0.803 206 P CB 0.490 32.121 31.700 -0.115 0.000 0.745 207 Q N 1.832 121.503 119.800 -0.216 0.000 2.444 207 Q HA 0.108 4.447 4.340 -0.001 0.000 0.206 207 Q C 0.446 176.105 176.000 -0.568 0.000 0.948 207 Q CA 1.020 56.563 55.803 -0.433 0.000 0.946 207 Q CB -0.323 28.059 28.738 -0.592 0.000 1.027 207 Q HN 0.464 nan 8.270 nan 0.000 0.513 208 F N -0.830 119.115 119.950 -0.009 0.000 2.724 208 F HA 0.284 4.811 4.527 -0.001 0.000 0.306 208 F C 0.720 176.531 175.800 0.019 0.000 1.100 208 F CA -0.365 57.639 58.000 0.006 0.000 1.255 208 F CB 0.571 39.572 39.000 0.003 0.000 1.072 208 F HN -0.135 nan 8.300 nan 0.000 0.589 209 R N -1.137 119.451 120.500 0.148 0.000 2.739 209 R HA 0.307 4.646 4.340 -0.001 0.000 0.271 209 R C -1.609 174.755 176.300 0.107 0.000 1.010 209 R CA -0.834 55.342 56.100 0.127 0.000 0.897 209 R CB 0.885 31.256 30.300 0.118 0.000 1.236 209 R HN -0.029 nan 8.270 nan 0.000 0.466 210 Y N 1.569 121.882 120.300 0.022 0.000 2.397 210 Y HA 0.272 4.821 4.550 -0.001 0.000 0.335 210 Y C -0.700 175.215 175.900 0.024 0.000 1.213 210 Y CA 1.001 59.108 58.100 0.012 0.000 1.391 210 Y CB 1.155 39.624 38.460 0.015 0.000 1.293 210 Y HN 0.747 nan 8.280 nan 0.000 0.557 211 T N 5.462 119.521 114.554 -0.824 0.000 2.883 211 T HA 0.321 4.670 4.350 -0.001 0.000 0.284 211 T C 0.096 174.327 174.700 -0.781 0.000 1.041 211 T CA -0.814 60.956 62.100 -0.550 0.000 1.007 211 T CB 1.102 69.792 68.868 -0.297 0.000 1.220 211 T HN 0.466 nan 8.240 nan 0.000 0.552 212 L N 0.343 121.412 121.223 -0.257 0.000 2.653 212 L HA 0.380 4.720 4.340 -0.001 0.000 0.232 212 L C 0.436 177.258 176.870 -0.079 0.000 1.169 212 L CA 0.276 55.039 54.840 -0.128 0.000 0.951 212 L CB -1.055 41.001 42.059 -0.005 0.000 1.181 212 L HN 0.482 nan 8.230 nan 0.000 0.460 213 I N 0.465 120.957 120.570 -0.131 0.000 2.792 213 I HA -0.103 4.066 4.170 -0.001 0.000 0.284 213 I C 0.967 177.069 176.117 -0.025 0.000 1.166 213 I CA 0.367 61.630 61.300 -0.061 0.000 1.375 213 I CB 0.160 38.105 38.000 -0.092 0.000 1.421 213 I HN 0.180 nan 8.210 nan 0.000 0.544 214 S N 6.815 122.524 115.700 0.016 0.000 2.448 214 S HA 0.248 4.717 4.470 -0.001 0.000 0.279 214 S C 1.290 175.926 174.600 0.061 0.000 1.195 214 S CA -0.611 57.618 58.200 0.048 0.000 1.051 214 S CB 0.435 63.663 63.200 0.048 0.000 0.948 214 S HN 0.533 nan 8.310 nan 0.000 0.493 215 I N 4.914 125.535 120.570 0.085 0.000 2.118 215 I HA -0.207 3.962 4.170 -0.001 0.000 0.241 215 I C 2.613 178.841 176.117 0.184 0.000 1.070 215 I CA 1.475 62.849 61.300 0.123 0.000 1.327 215 I CB -0.227 37.860 38.000 0.144 0.000 1.034 215 I HN 0.732 nan 8.210 nan 0.000 0.405 216 K N 1.001 121.486 120.400 0.143 0.000 2.218 216 K HA -0.238 4.081 4.320 -0.001 0.000 0.205 216 K C 2.004 178.679 176.600 0.125 0.000 1.046 216 K CA 1.503 57.861 56.287 0.118 0.000 0.933 216 K CB -0.043 32.478 32.500 0.035 0.000 0.728 216 K HN 0.364 nan 8.250 nan 0.000 0.454 217 A N 0.612 123.488 122.820 0.092 0.000 1.840 217 A HA -0.091 4.228 4.320 -0.001 0.000 0.214 217 A C 2.202 179.829 177.584 0.071 0.000 1.198 217 A CA 1.561 53.636 52.037 0.063 0.000 0.608 217 A CB -0.789 18.234 19.000 0.037 0.000 0.839 217 A HN 0.130 nan 8.150 nan 0.000 0.443 218 V N -0.892 119.062 119.914 0.066 0.000 2.250 218 V HA -0.357 3.762 4.120 -0.001 0.000 0.253 218 V C 2.290 178.417 176.094 0.056 0.000 1.065 218 V CA 2.503 64.824 62.300 0.035 0.000 1.039 218 V CB -1.236 30.593 31.823 0.009 0.000 0.647 218 V HN 0.537 nan 8.190 nan 0.000 0.446 219 F N -0.070 119.876 119.950 -0.006 0.000 2.043 219 F HA -0.265 4.261 4.527 -0.001 0.000 0.297 219 F C 2.337 178.129 175.800 -0.014 0.000 1.118 219 F CA 2.323 60.319 58.000 -0.006 0.000 1.202 219 F CB -0.266 38.732 39.000 -0.003 0.000 0.965 219 F HN 0.018 nan 8.300 nan 0.000 0.482 220 I N -0.343 120.368 120.570 0.236 0.000 2.145 220 I HA -0.358 3.811 4.170 -0.001 0.000 0.244 220 I C 2.671 178.815 176.117 0.045 0.000 1.075 220 I CA 1.672 63.038 61.300 0.108 0.000 1.332 220 I CB -1.378 36.651 38.000 0.048 0.000 1.033 220 I HN 0.314 nan 8.210 nan 0.000 0.410 221 G N 0.213 109.023 108.800 0.017 0.000 2.402 221 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.216 221 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.216 221 G C 1.745 176.633 174.900 -0.019 0.000 1.162 221 G CA 0.696 45.783 45.100 -0.022 0.000 0.777 221 G HN 0.234 nan 8.290 nan 0.000 0.539 222 V N 1.195 121.096 119.914 -0.021 0.000 2.287 222 V HA -0.203 3.917 4.120 -0.001 0.000 0.248 222 V C 2.816 178.905 176.094 -0.009 0.000 1.053 222 V CA 1.757 64.031 62.300 -0.044 0.000 1.027 222 V CB -0.396 31.358 31.823 -0.115 0.000 0.646 222 V HN 0.417 nan 8.190 nan 0.000 0.447 223 I N -0.945 119.646 120.570 0.036 0.000 2.069 223 I HA -0.343 3.826 4.170 -0.001 0.000 0.237 223 I C 2.621 178.760 176.117 0.037 0.000 1.053 223 I CA 1.802 63.138 61.300 0.059 0.000 1.311 223 I CB -0.503 37.555 38.000 0.095 0.000 1.030 223 I HN 0.258 nan 8.210 nan 0.000 0.398 224 M N 0.630 120.241 119.600 0.019 0.000 2.143 224 M HA -0.215 4.264 4.480 -0.001 0.000 0.258 224 M C 2.636 178.948 176.300 0.020 0.000 1.071 224 M CA 2.372 57.675 55.300 0.005 0.000 1.088 224 M CB -1.630 30.951 32.600 -0.032 0.000 1.360 224 M HN 0.494 nan 8.290 nan 0.000 0.404 225 S N -1.159 114.548 115.700 0.012 0.000 2.395 225 S HA -0.077 4.392 4.470 -0.001 0.000 0.225 225 S C 1.918 176.562 174.600 0.072 0.000 1.027 225 S CA 1.544 59.758 58.200 0.024 0.000 0.965 225 S CB -0.643 62.550 63.200 -0.011 0.000 0.812 225 S HN 0.439 nan 8.310 nan 0.000 0.482 226 T N 2.772 117.362 114.554 0.059 0.000 2.746 226 T HA 0.123 4.472 4.350 -0.001 0.000 0.267 226 T C 1.693 176.488 174.700 0.158 0.000 1.039 226 T CA 1.547 63.704 62.100 0.095 0.000 1.142 226 T CB -0.496 68.401 68.868 0.048 0.000 0.866 226 T HN 0.405 nan 8.240 nan 0.000 0.444 227 I N 0.802 121.437 120.570 0.110 0.000 2.264 227 I HA -0.194 3.976 4.170 -0.001 0.000 0.248 227 I C 2.437 178.641 176.117 0.145 0.000 1.111 227 I CA 0.900 62.264 61.300 0.106 0.000 1.382 227 I CB -0.303 37.735 38.000 0.063 0.000 1.060 227 I HN 0.216 nan 8.210 nan 0.000 0.418 228 M N -0.486 119.209 119.600 0.158 0.000 2.086 228 M HA -0.245 4.234 4.480 -0.001 0.000 0.261 228 M C 2.481 178.961 176.300 0.299 0.000 1.067 228 M CA 1.857 57.288 55.300 0.218 0.000 1.116 228 M CB -1.460 31.217 32.600 0.130 0.000 1.348 228 M HN 0.260 nan 8.290 nan 0.000 0.407 229 Y N 1.402 121.778 120.300 0.127 0.000 2.315 229 Y HA -0.210 4.339 4.550 -0.001 0.000 0.288 229 Y C 2.225 178.246 175.900 0.202 0.000 1.154 229 Y CA 1.657 59.837 58.100 0.132 0.000 1.229 229 Y CB -0.001 38.499 38.460 0.066 0.000 0.980 229 Y HN 0.122 nan 8.280 nan 0.000 0.540 230 R N -0.510 120.122 120.500 0.220 0.000 2.140 230 R HA 0.002 4.341 4.340 -0.001 0.000 0.213 230 R C 1.949 178.309 176.300 0.099 0.000 1.059 230 R CA 0.754 56.940 56.100 0.142 0.000 1.000 230 R CB -0.351 30.043 30.300 0.158 0.000 0.910 230 R HN 0.355 nan 8.270 nan 0.000 0.455 231 I N 0.479 121.106 120.570 0.096 0.000 2.657 231 I HA -0.213 3.956 4.170 -0.001 0.000 0.261 231 I C 1.301 177.243 176.117 -0.292 0.000 1.212 231 I CA 1.556 62.775 61.300 -0.135 0.000 1.453 231 I CB -0.626 37.284 38.000 -0.149 0.000 1.092 231 I HN 0.013 nan 8.210 nan 0.000 0.452 232 F N -0.466 119.503 119.950 0.031 0.000 2.658 232 F HA 0.216 4.743 4.527 -0.001 0.000 0.293 232 F C 1.254 176.977 175.800 -0.127 0.000 0.986 232 F CA -0.093 57.902 58.000 -0.008 0.000 1.182 232 F CB -0.223 38.738 39.000 -0.065 0.000 0.965 232 F HN -0.059 nan 8.300 nan 0.000 0.659 233 N N 0.756 119.374 118.700 -0.137 0.000 2.458 233 N HA 0.029 4.768 4.740 -0.001 0.000 0.274 233 N C -0.352 175.034 175.510 -0.207 0.000 1.242 233 N CA -0.055 52.784 53.050 -0.351 0.000 0.904 233 N CB -0.412 37.561 38.487 -0.857 0.000 1.206 233 N HN 0.360 nan 8.380 nan 0.000 0.510 234 H N 0.554 119.556 119.070 -0.113 0.000 2.603 234 H HA 0.163 4.718 4.556 -0.001 0.000 0.370 234 H C -0.178 175.139 175.328 -0.019 0.000 1.225 234 H CA 0.267 56.290 56.048 -0.041 0.000 1.410 234 H CB 0.522 30.261 29.762 -0.038 0.000 1.495 234 H HN 0.078 nan 8.280 nan 0.000 0.602 235 E N -0.352 119.883 120.200 0.058 0.000 2.613 235 E HA -0.103 4.246 4.350 -0.001 0.000 0.161 235 E C -1.101 175.483 176.600 -0.027 0.000 1.664 235 E CA 0.551 56.953 56.400 0.003 0.000 0.661 235 E CB -1.912 27.775 29.700 -0.021 0.000 1.098 235 E HN 0.507 nan 8.360 nan 0.000 0.364 236 V N -0.609 119.311 119.914 0.011 0.000 3.408 236 V HA 0.172 4.291 4.120 -0.001 0.000 0.230 236 V C -0.352 175.770 176.094 0.045 0.000 1.817 236 V CA -0.215 62.093 62.300 0.013 0.000 0.877 236 V CB 0.731 32.548 31.823 -0.010 0.000 1.125 236 V HN 0.804 nan 8.190 nan 0.000 0.556 237 A N 5.051 127.891 122.820 0.034 0.000 2.289 237 A HA 0.789 5.108 4.320 -0.001 0.000 0.298 237 A C 0.907 178.491 177.584 0.000 0.000 1.208 237 A CA -0.326 51.728 52.037 0.028 0.000 0.845 237 A CB 0.799 19.803 19.000 0.007 0.000 1.125 237 A HN 1.017 nan 8.150 nan 0.000 0.517 238 L N 2.058 123.271 121.223 -0.017 0.000 2.051 238 L HA -0.159 4.180 4.340 -0.001 0.000 0.214 238 L C 0.315 177.084 176.870 -0.168 0.000 1.076 238 L CA 1.475 56.257 54.840 -0.098 0.000 0.758 238 L CB -0.416 41.506 42.059 -0.229 0.000 0.890 238 L HN 0.655 nan 8.230 nan 0.000 0.433 239 I N -0.521 119.945 120.570 -0.173 0.000 2.521 239 I HA 0.154 4.323 4.170 -0.001 0.000 0.277 239 I C -0.895 175.185 176.117 -0.062 0.000 1.054 239 I CA -0.413 60.809 61.300 -0.130 0.000 1.117 239 I CB 1.415 39.300 38.000 -0.191 0.000 1.217 239 I HN -0.142 nan 8.210 nan 0.000 0.469 240 D N 5.702 126.085 120.400 -0.027 0.000 2.443 240 D HA 0.191 4.830 4.640 -0.001 0.000 0.221 240 D C 0.128 176.424 176.300 -0.005 0.000 1.097 240 D CA 0.128 54.120 54.000 -0.013 0.000 0.865 240 D CB 2.045 42.843 40.800 -0.004 0.000 1.034 240 D HN 0.246 nan 8.370 nan 0.000 0.511 241 V N 3.050 122.960 119.914 -0.007 0.000 3.528 241 V HA 0.365 4.484 4.120 -0.001 0.000 0.294 241 V C 0.927 177.021 176.094 0.001 0.000 1.404 241 V CA 0.925 63.225 62.300 0.000 0.000 1.065 241 V CB -0.544 31.278 31.823 -0.003 0.000 0.904 241 V HN 0.862 nan 8.190 nan 0.000 0.435 242 G N 1.674 110.473 108.800 -0.001 0.000 2.804 242 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.230 242 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.230 242 G C -0.374 174.525 174.900 -0.001 0.000 1.386 242 G CA 0.198 45.298 45.100 0.001 0.000 0.875 242 G HN 0.638 nan 8.290 nan 0.000 0.557 243 K N 0.605 121.006 120.400 0.001 0.000 2.268 243 K HA 0.564 4.883 4.320 -0.001 0.000 0.276 243 K C 1.048 177.648 176.600 -0.001 0.000 1.080 243 K CA -0.679 55.607 56.287 -0.001 0.000 0.910 243 K CB 0.122 32.623 32.500 0.002 0.000 1.163 243 K HN 0.465 nan 8.250 nan 0.000 0.465 244 L N 2.077 123.297 121.223 -0.006 0.000 2.470 244 L HA 0.233 4.572 4.340 -0.001 0.000 0.243 244 L C 0.899 177.765 176.870 -0.007 0.000 1.227 244 L CA -0.110 54.728 54.840 -0.003 0.000 0.824 244 L CB 0.433 42.486 42.059 -0.010 0.000 1.175 244 L HN 0.880 nan 8.230 nan 0.000 0.503 245 S N -0.962 114.739 115.700 0.002 0.000 2.634 245 S HA 0.201 4.671 4.470 -0.001 0.000 0.261 245 S C -0.274 174.311 174.600 -0.026 0.000 1.271 245 S CA -0.853 57.348 58.200 0.001 0.000 0.985 245 S CB 1.023 64.240 63.200 0.028 0.000 0.968 245 S HN 0.462 nan 8.310 nan 0.000 0.568 246 D N 0.404 120.788 120.400 -0.027 0.000 2.440 246 D HA 0.647 5.286 4.640 -0.001 0.000 0.269 246 D C -0.419 175.847 176.300 -0.057 0.000 1.249 246 D CA -0.113 53.854 54.000 -0.056 0.000 1.055 246 D CB 0.432 41.204 40.800 -0.047 0.000 1.104 246 D HN 0.845 nan 8.370 nan 0.000 0.561 247 A N 0.572 123.342 122.820 -0.083 0.000 2.457 247 A HA 0.558 4.877 4.320 -0.001 0.000 0.283 247 A C -2.586 174.965 177.584 -0.056 0.000 1.166 247 A CA -1.198 50.799 52.037 -0.067 0.000 0.740 247 A CB 0.655 19.575 19.000 -0.133 0.000 1.181 247 A HN 0.250 nan 8.150 nan 0.000 0.446 248 P HA 0.215 nan 4.420 nan 0.000 0.271 248 P C 1.151 178.432 177.300 -0.031 0.000 1.218 248 P CA -0.440 62.646 63.100 -0.024 0.000 0.780 248 P CB 0.629 32.329 31.700 -0.001 0.000 0.901 249 L N 1.435 122.650 121.223 -0.013 0.000 2.043 249 L HA -0.222 4.117 4.340 -0.001 0.000 0.212 249 L C 1.934 178.816 176.870 0.021 0.000 1.075 249 L CA 1.816 56.657 54.840 0.003 0.000 0.752 249 L CB -0.936 41.131 42.059 0.012 0.000 0.891 249 L HN 0.559 nan 8.230 nan 0.000 0.432 250 N N -1.180 117.530 118.700 0.016 0.000 2.626 250 N HA -0.138 4.601 4.740 -0.001 0.000 0.193 250 N C 1.177 176.616 175.510 -0.117 0.000 1.213 250 N CA 1.097 54.174 53.050 0.045 0.000 0.914 250 N CB -0.214 38.346 38.487 0.120 0.000 0.994 250 N HN 0.142 nan 8.380 nan 0.000 0.447 251 T N -0.016 114.417 114.554 -0.203 0.000 3.010 251 T HA 0.344 4.693 4.350 -0.001 0.000 0.257 251 T C 1.626 176.189 174.700 -0.229 0.000 1.020 251 T CA -0.376 61.463 62.100 -0.434 0.000 0.938 251 T CB 0.289 68.962 68.868 -0.325 0.000 1.049 251 T HN 0.085 nan 8.240 nan 0.000 0.522 252 L N 1.035 122.262 121.223 0.007 0.000 2.056 252 L HA -0.020 4.319 4.340 -0.001 0.000 0.207 252 L C 2.757 179.691 176.870 0.107 0.000 1.078 252 L CA 1.228 56.143 54.840 0.125 0.000 0.749 252 L CB -0.553 41.566 42.059 0.099 0.000 0.901 252 L HN 0.562 nan 8.230 nan 0.000 0.433 253 W N 0.659 121.963 121.300 0.006 0.000 2.331 253 W HA -0.223 4.436 4.660 -0.001 0.000 0.291 253 W C 1.714 178.256 176.519 0.039 0.000 1.214 253 W CA 0.725 58.082 57.345 0.020 0.000 1.228 253 W CB -1.293 28.167 29.460 -0.001 0.000 1.135 253 W HN 0.172 nan 8.180 nan 0.000 0.537 254 L N 0.018 120.681 121.223 -0.933 0.000 2.042 254 L HA -0.264 4.076 4.340 -0.001 0.000 0.210 254 L C 2.707 179.437 176.870 -0.232 0.000 1.076 254 L CA 1.907 56.272 54.840 -0.792 0.000 0.749 254 L CB -1.099 40.446 42.059 -0.857 0.000 0.893 254 L HN -0.095 nan 8.230 nan 0.000 0.432 255 Y N -1.114 119.186 120.300 0.000 0.000 2.314 255 Y HA -0.224 4.325 4.550 -0.001 0.000 0.293 255 Y C 2.274 178.140 175.900 -0.057 0.000 1.129 255 Y CA 0.434 58.522 58.100 -0.020 0.000 1.201 255 Y CB -0.212 38.185 38.460 -0.105 0.000 0.999 255 Y HN 0.086 nan 8.280 nan 0.000 0.541 256 L N 0.478 121.772 121.223 0.118 0.000 2.012 256 L HA -0.211 4.129 4.340 -0.001 0.000 0.210 256 L C 2.037 178.946 176.870 0.065 0.000 1.073 256 L CA 1.632 56.529 54.840 0.095 0.000 0.748 256 L CB -0.931 41.211 42.059 0.140 0.000 0.891 256 L HN 0.239 nan 8.230 nan 0.000 0.431 257 I N -1.077 119.536 120.570 0.072 0.000 2.127 257 I HA -0.331 3.838 4.170 -0.001 0.000 0.241 257 I C 2.435 178.493 176.117 -0.098 0.000 1.075 257 I CA 1.514 62.855 61.300 0.069 0.000 1.334 257 I CB -0.376 37.730 38.000 0.176 0.000 1.040 257 I HN 0.359 nan 8.210 nan 0.000 0.405 258 L N 1.079 122.078 121.223 -0.373 0.000 2.012 258 L HA -0.154 4.185 4.340 -0.001 0.000 0.210 258 L C 2.335 179.131 176.870 -0.123 0.000 1.073 258 L CA 2.383 56.827 54.840 -0.660 0.000 0.748 258 L CB -1.215 40.351 42.059 -0.822 0.000 0.891 258 L HN 0.223 nan 8.230 nan 0.000 0.431 259 G N -0.345 108.440 108.800 -0.024 0.000 2.446 259 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.217 259 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.217 259 G C 1.630 176.573 174.900 0.072 0.000 1.168 259 G CA 1.203 46.334 45.100 0.052 0.000 0.771 259 G HN 0.492 nan 8.290 nan 0.000 0.551 260 I N 0.628 121.223 120.570 0.042 0.000 2.248 260 I HA -0.191 3.979 4.170 -0.001 0.000 0.248 260 I C 2.638 178.783 176.117 0.047 0.000 1.107 260 I CA 0.822 62.154 61.300 0.053 0.000 1.373 260 I CB -0.133 37.907 38.000 0.067 0.000 1.055 260 I HN 0.180 nan 8.210 nan 0.000 0.418 261 I N -0.391 120.181 120.570 0.003 0.000 2.202 261 I HA -0.295 3.874 4.170 -0.001 0.000 0.242 261 I C 2.317 178.405 176.117 -0.047 0.000 1.091 261 I CA 1.621 62.887 61.300 -0.057 0.000 1.368 261 I CB -0.345 37.550 38.000 -0.175 0.000 1.058 261 I HN 0.084 nan 8.210 nan 0.000 0.410 262 F N 0.889 120.805 119.950 -0.056 0.000 2.216 262 F HA -0.136 4.390 4.527 -0.001 0.000 0.300 262 F C 2.459 178.279 175.800 0.034 0.000 1.085 262 F CA 1.447 59.447 58.000 0.000 0.000 1.326 262 F CB -0.639 38.327 39.000 -0.057 0.000 1.027 262 F HN 0.041 nan 8.300 nan 0.000 0.497 263 G N -0.010 108.892 108.800 0.170 0.000 2.484 263 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.218 263 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.218 263 G C 1.552 176.488 174.900 0.059 0.000 1.130 263 G CA 0.931 46.080 45.100 0.082 0.000 0.784 263 G HN 0.536 nan 8.290 nan 0.000 0.543 264 I N -3.534 117.081 120.570 0.076 0.000 2.867 264 I HA 0.378 4.547 4.170 -0.001 0.000 0.265 264 I C 2.251 178.400 176.117 0.052 0.000 1.162 264 I CA 0.250 61.584 61.300 0.057 0.000 1.471 264 I CB -0.096 37.943 38.000 0.064 0.000 1.123 264 I HN -0.026 nan 8.210 nan 0.000 0.440 265 F N 2.657 122.565 119.950 -0.070 0.000 2.325 265 F HA 0.212 4.738 4.527 -0.001 0.000 0.299 265 F C 2.227 177.975 175.800 -0.087 0.000 1.090 265 F CA 1.084 59.020 58.000 -0.107 0.000 1.392 265 F CB -0.617 38.301 39.000 -0.137 0.000 1.053 265 F HN 0.114 nan 8.300 nan 0.000 0.521 266 G N 1.173 109.966 108.800 -0.013 0.000 2.586 266 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.218 266 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.218 266 G C -0.634 174.158 174.900 -0.179 0.000 1.216 266 G CA 1.188 46.250 45.100 -0.063 0.000 0.786 266 G HN 0.291 nan 8.290 nan 0.000 0.583 267 P HA -0.066 nan 4.420 nan 0.000 0.213 267 P C 2.061 179.172 177.300 -0.314 0.000 1.170 267 P CA 0.896 63.891 63.100 -0.174 0.000 0.898 267 P CB -0.179 31.454 31.700 -0.111 0.000 0.787 268 I N -2.108 118.201 120.570 -0.435 0.000 2.236 268 I HA -0.298 3.871 4.170 -0.001 0.000 0.249 268 I C 2.267 177.674 176.117 -1.183 0.000 1.102 268 I CA 1.634 62.494 61.300 -0.733 0.000 1.365 268 I CB -0.619 36.929 38.000 -0.753 0.000 1.051 268 I HN -0.101 nan 8.210 nan 0.000 0.420 269 F N 1.725 120.943 119.950 -1.220 0.000 2.206 269 F HA -0.148 4.379 4.527 -0.001 0.000 0.298 269 F C 2.124 177.651 175.800 -0.454 0.000 1.090 269 F CA 1.650 59.064 58.000 -0.977 0.000 1.323 269 F CB -0.490 37.972 39.000 -0.897 0.000 1.028 269 F HN 0.068 nan 8.300 nan 0.000 0.492 270 N N 0.028 118.537 118.700 -0.318 0.000 2.120 270 N HA -0.192 4.548 4.740 -0.001 0.000 0.188 270 N C 1.742 177.138 175.510 -0.191 0.000 1.024 270 N CA 1.070 53.994 53.050 -0.211 0.000 0.852 270 N CB -0.092 38.329 38.487 -0.110 0.000 1.003 270 N HN 0.254 nan 8.380 nan 0.000 0.424 271 K N 0.472 120.735 120.400 -0.229 0.000 2.001 271 K HA -0.185 4.134 4.320 -0.001 0.000 0.214 271 K C 1.851 178.475 176.600 0.040 0.000 1.050 271 K CA 1.634 57.862 56.287 -0.099 0.000 0.934 271 K CB -0.139 32.291 32.500 -0.117 0.000 0.718 271 K HN 0.267 nan 8.250 nan 0.000 0.443 272 W N 0.195 121.377 121.300 -0.196 0.000 2.333 272 W HA -0.163 4.496 4.660 -0.001 0.000 0.316 272 W C 2.191 178.574 176.519 -0.228 0.000 1.215 272 W CA 0.304 57.524 57.345 -0.209 0.000 1.278 272 W CB -1.454 27.854 29.460 -0.252 0.000 1.154 272 W HN -0.017 nan 8.180 nan 0.000 0.486 273 V N 1.076 120.905 119.914 -0.141 0.000 2.324 273 V HA -0.313 3.806 4.120 -0.001 0.000 0.250 273 V C 2.156 178.282 176.094 0.052 0.000 1.060 273 V CA 2.120 64.366 62.300 -0.090 0.000 1.042 273 V CB -0.571 31.148 31.823 -0.173 0.000 0.650 273 V HN 0.120 nan 8.190 nan 0.000 0.450 274 L N -0.077 121.167 121.223 0.034 0.000 2.023 274 L HA 0.090 4.430 4.340 -0.001 0.000 0.205 274 L C 2.714 179.611 176.870 0.044 0.000 1.073 274 L CA 1.658 56.528 54.840 0.050 0.000 0.745 274 L CB -1.410 40.670 42.059 0.035 0.000 0.900 274 L HN 0.435 nan 8.230 nan 0.000 0.435 275 G N 0.069 108.901 108.800 0.054 0.000 2.587 275 G HA2 -0.407 3.552 3.960 -0.001 0.000 0.217 275 G HA3 -0.407 3.552 3.960 -0.001 0.000 0.217 275 G C 1.545 176.459 174.900 0.024 0.000 1.240 275 G CA 1.286 46.413 45.100 0.046 0.000 0.794 275 G HN 0.221 nan 8.290 nan 0.000 0.580 276 M N 0.566 120.181 119.600 0.025 0.000 2.192 276 M HA -0.167 4.312 4.480 -0.001 0.000 0.259 276 M C 2.430 178.742 176.300 0.021 0.000 1.071 276 M CA 2.022 57.325 55.300 0.005 0.000 1.082 276 M CB -0.514 32.092 32.600 0.010 0.000 1.373 276 M HN 0.482 nan 8.290 nan 0.000 0.408 277 Q N -0.431 119.393 119.800 0.040 0.000 2.050 277 Q HA -0.197 4.143 4.340 -0.001 0.000 0.202 277 Q C 1.516 177.534 176.000 0.030 0.000 0.980 277 Q CA 1.935 57.767 55.803 0.048 0.000 0.840 277 Q CB -0.042 28.727 28.738 0.051 0.000 0.898 277 Q HN 0.556 nan 8.270 nan 0.000 0.424 278 D N 0.579 120.984 120.400 0.008 0.000 2.077 278 D HA -0.207 4.432 4.640 -0.001 0.000 0.193 278 D C 1.903 178.190 176.300 -0.022 0.000 0.989 278 D CA 1.020 55.012 54.000 -0.013 0.000 0.831 278 D CB -0.549 40.240 40.800 -0.019 0.000 0.979 278 D HN 0.262 nan 8.370 nan 0.000 0.449 279 L N 0.484 121.688 121.223 -0.032 0.000 2.263 279 L HA -0.164 4.176 4.340 -0.001 0.000 0.216 279 L C 2.109 178.925 176.870 -0.090 0.000 1.111 279 L CA 0.973 55.779 54.840 -0.056 0.000 0.773 279 L CB -0.038 41.990 42.059 -0.051 0.000 0.906 279 L HN 0.043 nan 8.230 nan 0.000 0.439 280 L N -1.464 119.711 121.223 -0.080 0.000 2.270 280 L HA -0.151 4.188 4.340 -0.001 0.000 0.210 280 L C 2.367 179.025 176.870 -0.353 0.000 1.104 280 L CA 0.756 55.518 54.840 -0.130 0.000 0.804 280 L CB -0.506 41.538 42.059 -0.025 0.000 0.937 280 L HN 0.396 nan 8.230 nan 0.000 0.450 281 H N 0.917 119.741 119.070 -0.411 0.000 2.319 281 H HA -0.165 4.390 4.556 -0.001 0.000 0.299 281 H C 2.361 177.177 175.328 -0.853 0.000 1.092 281 H CA 1.900 57.526 56.048 -0.702 0.000 1.302 281 H CB 0.175 29.751 29.762 -0.311 0.000 1.373 281 H HN 0.096 nan 8.280 nan 0.000 0.497 282 R N -0.311 119.955 120.500 -0.390 0.000 2.117 282 R HA -0.131 4.208 4.340 -0.001 0.000 0.243 282 R C 2.386 178.434 176.300 -0.421 0.000 1.143 282 R CA 1.407 57.311 56.100 -0.325 0.000 0.968 282 R CB -0.646 29.557 30.300 -0.162 0.000 0.863 282 R HN 0.210 nan 8.270 nan 0.000 0.444 283 V N 1.428 121.072 119.914 -0.450 0.000 2.278 283 V HA -0.297 3.822 4.120 -0.001 0.000 0.251 283 V C 2.026 177.929 176.094 -0.319 0.000 1.062 283 V CA 2.490 64.594 62.300 -0.326 0.000 1.038 283 V CB -0.736 30.941 31.823 -0.243 0.000 0.646 283 V HN 0.607 nan 8.190 nan 0.000 0.447 284 H N -1.587 117.265 119.070 -0.363 0.000 2.648 284 H HA 0.482 5.038 4.556 -0.001 0.000 0.265 284 H C 1.687 176.830 175.328 -0.308 0.000 0.961 284 H CA 0.624 56.479 56.048 -0.322 0.000 1.185 284 H CB 0.061 29.573 29.762 -0.416 0.000 1.449 284 H HN 0.340 nan 8.280 nan 0.000 0.523 285 G N 0.182 108.651 108.800 -0.552 0.000 2.412 285 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.252 285 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.252 285 G C 1.342 176.038 174.900 -0.340 0.000 1.038 285 G CA 0.888 45.767 45.100 -0.369 0.000 0.628 285 G HN 1.536 nan 8.290 nan 0.000 0.531 286 G N -0.887 107.824 108.800 -0.149 0.000 2.425 286 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.177 286 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.177 286 G C -0.101 174.959 174.900 0.268 0.000 0.999 286 G CA 0.614 45.788 45.100 0.124 0.000 0.723 286 G HN 1.515 nan 8.290 nan 0.000 0.491 287 N N 1.487 120.295 118.700 0.180 0.000 2.416 287 N HA 0.255 4.994 4.740 -0.001 0.000 0.265 287 N C 1.566 177.195 175.510 0.198 0.000 1.195 287 N CA -0.188 52.951 53.050 0.148 0.000 0.943 287 N CB 0.284 38.821 38.487 0.084 0.000 1.115 287 N HN 0.208 nan 8.380 nan 0.000 0.481 288 I N 2.463 123.124 120.570 0.152 0.000 2.597 288 I HA -0.324 3.845 4.170 -0.001 0.000 0.262 288 I C 0.790 176.992 176.117 0.141 0.000 1.194 288 I CA 1.303 62.672 61.300 0.115 0.000 1.437 288 I CB 0.041 38.047 38.000 0.011 0.000 1.096 288 I HN 0.586 nan 8.210 nan 0.000 0.451 289 T N 0.182 114.811 114.554 0.126 0.000 2.901 289 T HA -0.055 4.294 4.350 -0.001 0.000 0.252 289 T C 1.760 176.524 174.700 0.107 0.000 1.035 289 T CA 0.732 62.898 62.100 0.111 0.000 1.142 289 T CB 0.091 69.006 68.868 0.078 0.000 0.869 289 T HN 0.291 nan 8.240 nan 0.000 0.442 290 K N 0.207 120.670 120.400 0.105 0.000 2.283 290 K HA -0.067 4.252 4.320 -0.001 0.000 0.202 290 K C 1.945 178.611 176.600 0.110 0.000 1.048 290 K CA 0.723 57.062 56.287 0.088 0.000 0.948 290 K CB 0.024 32.566 32.500 0.069 0.000 0.742 290 K HN 0.316 nan 8.250 nan 0.000 0.458 291 W N 1.180 122.431 121.300 -0.082 0.000 2.423 291 W HA -0.133 4.526 4.660 -0.001 0.000 0.321 291 W C 1.755 178.126 176.519 -0.247 0.000 1.180 291 W CA 0.876 58.049 57.345 -0.286 0.000 1.322 291 W CB -0.738 28.468 29.460 -0.424 0.000 1.174 291 W HN -0.249 nan 8.180 nan 0.000 0.470 292 V N 1.483 121.500 119.914 0.171 0.000 2.546 292 V HA -0.315 3.804 4.120 -0.001 0.000 0.254 292 V C 2.350 178.433 176.094 -0.018 0.000 1.076 292 V CA 1.637 63.974 62.300 0.062 0.000 1.087 292 V CB -1.051 30.871 31.823 0.165 0.000 0.674 292 V HN 0.166 nan 8.190 nan 0.000 0.470 293 L N -1.495 119.737 121.223 0.015 0.000 2.162 293 L HA -0.069 4.271 4.340 -0.001 0.000 0.205 293 L C 2.402 179.250 176.870 -0.036 0.000 1.086 293 L CA 1.346 56.188 54.840 0.004 0.000 0.778 293 L CB -0.336 41.741 42.059 0.031 0.000 0.928 293 L HN 0.320 nan 8.230 nan 0.000 0.446 294 M N -0.366 119.201 119.600 -0.056 0.000 2.229 294 M HA -0.096 4.383 4.480 -0.001 0.000 0.264 294 M C 2.037 178.214 176.300 -0.205 0.000 1.063 294 M CA 1.706 56.961 55.300 -0.075 0.000 1.114 294 M CB -0.317 32.260 32.600 -0.039 0.000 1.387 294 M HN 0.283 nan 8.290 nan 0.000 0.420 295 G N -0.333 108.153 108.800 -0.523 0.000 2.484 295 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.215 295 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.215 295 G C 1.371 176.030 174.900 -0.401 0.000 1.219 295 G CA 0.869 45.246 45.100 -1.204 0.000 0.791 295 G HN 0.576 nan 8.290 nan 0.000 0.550 296 G N 0.900 109.567 108.800 -0.222 0.000 2.499 296 G HA2 0.027 3.986 3.960 -0.001 0.000 0.221 296 G HA3 0.027 3.986 3.960 -0.001 0.000 0.221 296 G C 1.880 176.735 174.900 -0.075 0.000 1.109 296 G CA 1.646 46.708 45.100 -0.062 0.000 0.749 296 G HN 0.714 nan 8.290 nan 0.000 0.568 297 A N 0.874 123.673 122.820 -0.035 0.000 1.840 297 A HA 0.150 4.469 4.320 -0.001 0.000 0.214 297 A C 2.370 179.935 177.584 -0.031 0.000 1.198 297 A CA 1.150 53.222 52.037 0.059 0.000 0.608 297 A CB -0.322 18.730 19.000 0.087 0.000 0.839 297 A HN 0.323 nan 8.150 nan 0.000 0.443 298 I N 0.056 120.615 120.570 -0.018 0.000 2.163 298 I HA -0.219 3.951 4.170 -0.001 0.000 0.243 298 I C 2.745 178.843 176.117 -0.032 0.000 1.085 298 I CA 1.113 62.420 61.300 0.012 0.000 1.347 298 I CB -1.078 36.969 38.000 0.079 0.000 1.044 298 I HN 0.401 nan 8.210 nan 0.000 0.408 299 G N 1.130 109.920 108.800 -0.018 0.000 2.672 299 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.218 299 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.218 299 G C 1.712 176.471 174.900 -0.235 0.000 1.238 299 G CA 1.281 46.358 45.100 -0.039 0.000 0.791 299 G HN 0.505 nan 8.290 nan 0.000 0.606 300 G N 0.697 109.163 108.800 -0.557 0.000 2.513 300 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.219 300 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.219 300 G C 1.811 176.194 174.900 -0.863 0.000 1.160 300 G CA 1.323 45.668 45.100 -1.258 0.000 0.767 300 G HN 0.574 nan 8.290 nan 0.000 0.571 301 L N 0.526 121.479 121.223 -0.450 0.000 2.081 301 L HA -0.099 4.240 4.340 -0.001 0.000 0.212 301 L C 2.730 179.594 176.870 -0.010 0.000 1.080 301 L CA 1.691 56.516 54.840 -0.025 0.000 0.754 301 L CB -0.835 41.264 42.059 0.067 0.000 0.893 301 L HN 0.277 nan 8.230 nan 0.000 0.433 302 C N -0.123 119.146 119.300 -0.051 0.000 2.462 302 C HA -0.024 4.435 4.460 -0.001 0.000 0.278 302 C C 2.800 177.799 174.990 0.015 0.000 1.253 302 C CA 0.753 59.773 59.018 0.003 0.000 1.713 302 C CB -1.847 25.901 27.740 0.013 0.000 2.049 302 C HN 0.750 nan 8.230 nan 0.000 0.477 303 G N -0.056 108.726 108.800 -0.029 0.000 2.462 303 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.220 303 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.220 303 G C 1.548 176.488 174.900 0.066 0.000 1.121 303 G CA 0.907 46.013 45.100 0.009 0.000 0.758 303 G HN 0.504 nan 8.290 nan 0.000 0.559 304 L N -0.044 121.221 121.223 0.070 0.000 2.072 304 L HA 0.194 4.533 4.340 -0.001 0.000 0.205 304 L C 2.696 179.670 176.870 0.174 0.000 1.079 304 L CA 1.107 56.029 54.840 0.136 0.000 0.752 304 L CB -0.148 42.033 42.059 0.205 0.000 0.906 304 L HN 0.166 nan 8.230 nan 0.000 0.436 305 L N -0.923 120.385 121.223 0.142 0.000 2.109 305 L HA -0.065 4.274 4.340 -0.001 0.000 0.207 305 L C 2.333 179.295 176.870 0.153 0.000 1.086 305 L CA 1.067 55.996 54.840 0.148 0.000 0.760 305 L CB -1.216 40.908 42.059 0.108 0.000 0.910 305 L HN 0.440 nan 8.230 nan 0.000 0.437 306 G N -1.205 107.676 108.800 0.134 0.000 2.653 306 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.212 306 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.212 306 G C 1.217 176.215 174.900 0.163 0.000 1.138 306 G CA 0.247 45.421 45.100 0.123 0.000 0.782 306 G HN 0.349 nan 8.290 nan 0.000 0.535 307 F N 0.248 120.226 119.950 0.047 0.000 2.537 307 F HA 0.155 4.682 4.527 -0.001 0.000 0.277 307 F C 2.055 177.891 175.800 0.060 0.000 1.013 307 F CA 0.660 58.683 58.000 0.038 0.000 1.332 307 F CB 0.413 39.417 39.000 0.008 0.000 1.108 307 F HN 0.016 nan 8.300 nan 0.000 0.679 308 V N -0.930 119.182 119.914 0.330 0.000 3.514 308 V HA 0.676 4.795 4.120 -0.001 0.000 0.301 308 V C 0.093 176.285 176.094 0.162 0.000 1.346 308 V CA 0.539 62.992 62.300 0.255 0.000 1.156 308 V CB -0.669 31.359 31.823 0.340 0.000 1.029 308 V HN 0.522 nan 8.190 nan 0.000 0.428 309 A N -0.185 122.717 122.820 0.136 0.000 1.959 309 A HA 0.469 4.788 4.320 -0.001 0.000 0.239 309 A C -1.990 175.677 177.584 0.139 0.000 1.707 309 A CA 0.011 52.144 52.037 0.161 0.000 1.784 309 A CB -0.401 18.753 19.000 0.256 0.000 0.844 309 A HN 0.293 nan 8.150 nan 0.000 0.888 310 P HA -0.145 nan 4.420 nan 0.000 0.220 310 P C 1.721 179.078 177.300 0.094 0.000 1.144 310 P CA 1.940 65.094 63.100 0.089 0.000 0.800 310 P CB 0.289 32.031 31.700 0.070 0.000 0.772 311 A N -0.606 122.278 122.820 0.108 0.000 2.066 311 A HA -0.122 4.197 4.320 -0.001 0.000 0.218 311 A C 2.154 179.749 177.584 0.018 0.000 1.157 311 A CA 1.994 54.073 52.037 0.070 0.000 0.670 311 A CB -1.653 17.364 19.000 0.028 0.000 0.804 311 A HN 0.340 nan 8.150 nan 0.000 0.453 312 T N -3.676 110.894 114.554 0.026 0.000 3.014 312 T HA 0.127 4.476 4.350 -0.001 0.000 0.263 312 T C 1.181 175.878 174.700 -0.005 0.000 1.078 312 T CA 1.087 63.161 62.100 -0.043 0.000 1.135 312 T CB -0.190 68.643 68.868 -0.059 0.000 0.895 312 T HN 0.263 nan 8.240 nan 0.000 0.480 313 S N -0.711 115.010 115.700 0.035 0.000 2.748 313 S HA 0.663 5.132 4.470 -0.001 0.000 0.299 313 S C 0.490 175.114 174.600 0.040 0.000 1.119 313 S CA 0.277 58.502 58.200 0.042 0.000 0.997 313 S CB 0.703 63.938 63.200 0.059 0.000 1.223 313 S HN 1.437 nan 8.310 nan 0.000 0.541 314 G N -0.189 108.635 108.800 0.039 0.000 2.781 314 G HA2 -0.018 3.941 3.960 -0.001 0.000 0.683 314 G HA3 -0.018 3.941 3.960 -0.001 0.000 0.683 314 G C 0.791 175.694 174.900 0.005 0.000 1.390 314 G CA -0.019 45.100 45.100 0.032 0.000 0.850 314 G HN 1.433 nan 8.290 nan 0.000 0.557 315 G N -0.718 108.068 108.800 -0.023 0.000 2.476 315 G HA2 0.314 4.273 3.960 -0.001 0.000 0.218 315 G HA3 0.314 4.273 3.960 -0.001 0.000 0.218 315 G C 2.081 176.886 174.900 -0.157 0.000 1.164 315 G CA 2.499 47.528 45.100 -0.118 0.000 0.768 315 G HN 2.796 nan 8.290 nan 0.000 0.560 316 G N -1.189 107.576 108.800 -0.058 0.000 2.284 316 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.201 316 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.201 316 G C 1.204 176.201 174.900 0.161 0.000 0.998 316 G CA 0.436 45.551 45.100 0.024 0.000 0.651 316 G HN 0.401 nan 8.290 nan 0.000 0.489 317 F N 1.540 121.556 119.950 0.110 0.000 2.120 317 F HA -0.176 4.351 4.527 -0.001 0.000 0.300 317 F C 2.665 178.528 175.800 0.104 0.000 1.095 317 F CA 1.307 59.374 58.000 0.110 0.000 1.249 317 F CB -0.152 38.920 39.000 0.120 0.000 0.995 317 F HN 0.147 nan 8.300 nan 0.000 0.480 318 N N 0.999 119.874 118.700 0.293 0.000 2.149 318 N HA -0.177 4.562 4.740 -0.001 0.000 0.188 318 N C 1.700 177.333 175.510 0.205 0.000 1.019 318 N CA 1.481 54.654 53.050 0.205 0.000 0.857 318 N CB -0.625 37.959 38.487 0.161 0.000 0.997 318 N HN 0.382 nan 8.380 nan 0.000 0.426 319 L N -1.862 119.503 121.223 0.238 0.000 2.509 319 L HA 0.271 4.610 4.340 -0.001 0.000 0.222 319 L C 1.714 178.766 176.870 0.304 0.000 1.123 319 L CA 0.723 55.751 54.840 0.313 0.000 0.856 319 L CB -0.298 41.937 42.059 0.293 0.000 0.985 319 L HN -0.045 nan 8.230 nan 0.000 0.456 320 I N 0.755 121.470 120.570 0.242 0.000 2.099 320 I HA -0.156 4.013 4.170 -0.001 0.000 0.239 320 I C -0.019 176.189 176.117 0.152 0.000 1.066 320 I CA 1.579 62.999 61.300 0.200 0.000 1.324 320 I CB -1.679 36.437 38.000 0.192 0.000 1.037 320 I HN 0.273 nan 8.210 nan 0.000 0.401 321 P HA -0.175 nan 4.420 nan 0.000 0.215 321 P C 1.904 179.230 177.300 0.043 0.000 1.157 321 P CA 1.700 64.837 63.100 0.062 0.000 0.874 321 P CB -0.053 31.674 31.700 0.046 0.000 0.790 322 I N -0.881 119.713 120.570 0.039 0.000 2.208 322 I HA -0.262 3.907 4.170 -0.001 0.000 0.245 322 I C 2.274 178.335 176.117 -0.093 0.000 1.097 322 I CA 1.676 62.910 61.300 -0.111 0.000 1.363 322 I CB -0.769 37.095 38.000 -0.227 0.000 1.051 322 I HN -0.078 nan 8.210 nan 0.000 0.413 323 A N 0.149 123.089 122.820 0.200 0.000 2.016 323 A HA -0.107 4.213 4.320 -0.001 0.000 0.217 323 A C 2.307 179.996 177.584 0.175 0.000 1.162 323 A CA 1.778 54.013 52.037 0.329 0.000 0.662 323 A CB -0.798 18.456 19.000 0.423 0.000 0.812 323 A HN 0.391 nan 8.150 nan 0.000 0.450 324 T N 0.104 114.731 114.554 0.122 0.000 2.985 324 T HA 0.154 4.503 4.350 -0.001 0.000 0.266 324 T C 1.729 176.468 174.700 0.065 0.000 1.076 324 T CA 0.987 63.143 62.100 0.094 0.000 1.135 324 T CB -0.141 68.769 68.868 0.070 0.000 0.890 324 T HN 0.494 nan 8.240 nan 0.000 0.480 325 A N 0.882 123.721 122.820 0.033 0.000 2.302 325 A HA 0.542 4.861 4.320 -0.001 0.000 0.219 325 A C 1.792 179.377 177.584 0.003 0.000 1.243 325 A CA 0.330 52.372 52.037 0.008 0.000 0.856 325 A CB -1.093 17.893 19.000 -0.022 0.000 0.893 325 A HN 0.606 nan 8.150 nan 0.000 0.491 326 G N 0.103 108.923 108.800 0.034 0.000 2.341 326 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.292 326 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.292 326 G C 0.423 175.321 174.900 -0.005 0.000 1.021 326 G CA 0.688 45.814 45.100 0.044 0.000 0.905 326 G HN 0.712 nan 8.290 nan 0.000 0.508 327 N N -1.262 117.379 118.700 -0.097 0.000 2.336 327 N HA 0.236 4.976 4.740 -0.001 0.000 0.189 327 N C -0.108 175.237 175.510 -0.274 0.000 1.113 327 N CA -0.218 52.709 53.050 -0.204 0.000 0.858 327 N CB 0.168 38.479 38.487 -0.292 0.000 0.970 327 N HN 0.349 nan 8.380 nan 0.000 0.471 328 F N 0.781 120.755 119.950 0.041 0.000 2.425 328 F HA 0.271 4.797 4.527 -0.001 0.000 0.331 328 F C 1.055 176.875 175.800 0.033 0.000 1.085 328 F CA -1.359 56.668 58.000 0.045 0.000 1.028 328 F CB 1.046 40.085 39.000 0.064 0.000 1.177 328 F HN -0.157 nan 8.300 nan 0.000 0.487 329 S N 1.864 117.709 115.700 0.241 0.000 2.600 329 S HA 0.127 4.596 4.470 -0.001 0.000 0.265 329 S C 1.058 175.729 174.600 0.118 0.000 1.325 329 S CA -0.691 57.588 58.200 0.131 0.000 1.002 329 S CB 0.610 63.864 63.200 0.091 0.000 0.921 329 S HN 0.810 nan 8.310 nan 0.000 0.554 330 M N 1.945 121.583 119.600 0.064 0.000 2.279 330 M HA 0.100 4.579 4.480 -0.001 0.000 0.264 330 M C 1.728 178.055 176.300 0.046 0.000 1.062 330 M CA 1.991 57.315 55.300 0.040 0.000 1.099 330 M CB -1.197 31.406 32.600 0.006 0.000 1.394 330 M HN 0.886 nan 8.290 nan 0.000 0.426 331 G N 0.111 108.942 108.800 0.052 0.000 2.464 331 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.214 331 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.214 331 G C 1.384 176.338 174.900 0.090 0.000 1.218 331 G CA 0.982 46.116 45.100 0.057 0.000 0.794 331 G HN 0.475 nan 8.290 nan 0.000 0.542 332 M N 0.440 120.092 119.600 0.086 0.000 2.260 332 M HA 0.047 4.526 4.480 -0.001 0.000 0.261 332 M C 2.237 178.559 176.300 0.037 0.000 1.066 332 M CA 1.059 56.414 55.300 0.091 0.000 1.082 332 M CB -0.364 32.317 32.600 0.135 0.000 1.388 332 M HN 0.204 nan 8.290 nan 0.000 0.419 333 L N -2.162 119.082 121.223 0.035 0.000 2.068 333 L HA -0.144 4.195 4.340 -0.001 0.000 0.204 333 L C 2.203 179.103 176.870 0.051 0.000 1.076 333 L CA 0.754 55.591 54.840 -0.005 0.000 0.753 333 L CB -0.698 41.378 42.059 0.028 0.000 0.910 333 L HN 0.062 nan 8.230 nan 0.000 0.439 334 V N -0.308 119.653 119.914 0.077 0.000 2.515 334 V HA -0.309 3.811 4.120 -0.001 0.000 0.250 334 V C 2.169 178.367 176.094 0.174 0.000 1.058 334 V CA 1.710 64.074 62.300 0.107 0.000 1.064 334 V CB -0.478 31.391 31.823 0.076 0.000 0.675 334 V HN 0.337 nan 8.190 nan 0.000 0.461 335 F N 0.782 120.749 119.950 0.029 0.000 2.031 335 F HA -0.224 4.303 4.527 -0.001 0.000 0.295 335 F C 2.180 177.991 175.800 0.019 0.000 1.133 335 F CA 2.139 60.152 58.000 0.022 0.000 1.188 335 F CB -0.221 38.778 39.000 -0.001 0.000 0.974 335 F HN 0.045 nan 8.300 nan 0.000 0.473 336 I N -0.432 120.106 120.570 -0.052 0.000 2.315 336 I HA -0.325 3.844 4.170 -0.001 0.000 0.251 336 I C 2.270 178.319 176.117 -0.113 0.000 1.125 336 I CA 1.365 62.554 61.300 -0.185 0.000 1.392 336 I CB -0.620 37.282 38.000 -0.163 0.000 1.065 336 I HN 0.253 nan 8.210 nan 0.000 0.424 337 F N 0.963 120.820 119.950 -0.154 0.000 2.113 337 F HA -0.164 4.362 4.527 -0.001 0.000 0.297 337 F C 2.316 178.064 175.800 -0.086 0.000 1.103 337 F CA 1.482 59.414 58.000 -0.113 0.000 1.248 337 F CB -0.392 38.543 39.000 -0.108 0.000 0.999 337 F HN -0.248 nan 8.300 nan 0.000 0.475 338 V N 0.379 120.245 119.914 -0.079 0.000 2.244 338 V HA -0.272 3.848 4.120 -0.001 0.000 0.244 338 V C 2.738 178.701 176.094 -0.219 0.000 1.042 338 V CA 1.866 64.086 62.300 -0.134 0.000 1.006 338 V CB -1.481 30.321 31.823 -0.035 0.000 0.641 338 V HN 0.432 nan 8.190 nan 0.000 0.446 339 A N -0.528 122.077 122.820 -0.359 0.000 1.997 339 A HA -0.292 4.028 4.320 -0.001 0.000 0.221 339 A C 2.352 179.805 177.584 -0.218 0.000 1.172 339 A CA 2.203 54.015 52.037 -0.374 0.000 0.645 339 A CB -0.506 18.066 19.000 -0.713 0.000 0.813 339 A HN 0.539 nan 8.150 nan 0.000 0.454 340 R N -1.399 118.973 120.500 -0.213 0.000 2.090 340 R HA 0.061 4.400 4.340 -0.001 0.000 0.219 340 R C 2.083 178.334 176.300 -0.081 0.000 1.100 340 R CA 0.976 56.997 56.100 -0.132 0.000 0.991 340 R CB -0.421 29.803 30.300 -0.127 0.000 0.893 340 R HN 0.382 nan 8.270 nan 0.000 0.443 341 V N 1.954 121.776 119.914 -0.153 0.000 2.282 341 V HA -0.310 3.809 4.120 -0.001 0.000 0.249 341 V C 2.309 178.460 176.094 0.095 0.000 1.057 341 V CA 1.919 64.246 62.300 0.046 0.000 1.032 341 V CB -0.407 31.436 31.823 0.034 0.000 0.645 341 V HN 0.263 nan 8.190 nan 0.000 0.447 342 I N 0.633 121.198 120.570 -0.008 0.000 2.113 342 I HA -0.262 3.907 4.170 -0.001 0.000 0.238 342 I C 2.749 178.878 176.117 0.021 0.000 1.070 342 I CA 2.241 63.532 61.300 -0.015 0.000 1.332 342 I CB -0.763 37.205 38.000 -0.054 0.000 1.044 342 I HN 0.526 nan 8.210 nan 0.000 0.402 343 T N -2.840 111.721 114.554 0.012 0.000 2.915 343 T HA -0.112 4.238 4.350 -0.001 0.000 0.269 343 T C 1.770 176.522 174.700 0.087 0.000 1.071 343 T CA 1.619 63.744 62.100 0.041 0.000 1.132 343 T CB -0.713 68.169 68.868 0.023 0.000 0.878 343 T HN 0.227 nan 8.240 nan 0.000 0.479 344 T N 2.393 117.009 114.554 0.104 0.000 2.701 344 T HA 0.124 4.474 4.350 -0.001 0.000 0.263 344 T C 1.894 176.716 174.700 0.205 0.000 1.040 344 T CA 1.229 63.426 62.100 0.162 0.000 1.147 344 T CB -0.518 68.475 68.868 0.208 0.000 0.865 344 T HN 0.275 nan 8.240 nan 0.000 0.426 345 L N 0.272 121.600 121.223 0.175 0.000 1.955 345 L HA -0.128 4.211 4.340 -0.001 0.000 0.213 345 L C 2.521 179.486 176.870 0.158 0.000 1.072 345 L CA 1.079 56.004 54.840 0.142 0.000 0.755 345 L CB -0.729 41.371 42.059 0.068 0.000 0.888 345 L HN 0.185 nan 8.230 nan 0.000 0.432 346 L N -0.542 120.749 121.223 0.113 0.000 2.064 346 L HA -0.326 4.013 4.340 -0.001 0.000 0.216 346 L C 2.591 179.561 176.870 0.168 0.000 1.077 346 L CA 1.865 56.773 54.840 0.113 0.000 0.766 346 L CB -0.770 41.337 42.059 0.081 0.000 0.890 346 L HN 0.399 nan 8.230 nan 0.000 0.435 347 C N -2.337 117.076 119.300 0.190 0.000 2.464 347 C HA -0.082 4.377 4.460 -0.001 0.000 0.278 347 C C 2.523 177.676 174.990 0.271 0.000 1.375 347 C CA 0.311 59.462 59.018 0.223 0.000 1.761 347 C CB -0.864 26.990 27.740 0.190 0.000 1.944 347 C HN 0.608 nan 8.230 nan 0.000 0.509 348 F N 1.060 121.086 119.950 0.127 0.000 2.419 348 F HA 0.086 4.612 4.527 -0.001 0.000 0.283 348 F C 2.371 178.253 175.800 0.136 0.000 1.044 348 F CA 1.268 59.342 58.000 0.124 0.000 1.376 348 F CB -0.506 38.566 39.000 0.120 0.000 1.131 348 F HN -0.068 nan 8.300 nan 0.000 0.585 349 S N 0.077 115.897 115.700 0.200 0.000 2.419 349 S HA -0.205 4.264 4.470 -0.001 0.000 0.235 349 S C 2.086 176.735 174.600 0.082 0.000 1.019 349 S CA 1.381 59.635 58.200 0.089 0.000 0.982 349 S CB -0.795 62.482 63.200 0.128 0.000 0.789 349 S HN 0.586 nan 8.310 nan 0.000 0.490 350 S N 0.537 116.331 115.700 0.156 0.000 2.515 350 S HA 0.243 4.713 4.470 -0.001 0.000 0.231 350 S C 1.566 176.449 174.600 0.473 0.000 0.987 350 S CA 0.940 59.314 58.200 0.289 0.000 0.936 350 S CB -0.250 63.153 63.200 0.338 0.000 0.766 350 S HN 0.805 nan 8.310 nan 0.000 0.528 351 G N 0.440 109.372 108.800 0.219 0.000 2.176 351 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.232 351 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.232 351 G C 0.295 175.140 174.900 -0.092 0.000 0.986 351 G CA -0.050 45.145 45.100 0.158 0.000 0.643 351 G HN 1.320 nan 8.290 nan 0.000 0.522 352 A N 1.054 123.771 122.820 -0.170 0.000 2.520 352 A HA 0.570 4.889 4.320 -0.001 0.000 0.235 352 A C -1.502 175.914 177.584 -0.280 0.000 1.065 352 A CA -0.049 51.658 52.037 -0.551 0.000 0.764 352 A CB 0.049 18.792 19.000 -0.428 0.000 1.002 352 A HN 0.243 nan 8.150 nan 0.000 0.502 353 P HA 0.473 nan 4.420 nan 0.000 0.276 353 P C 0.109 177.395 177.300 -0.023 0.000 1.243 353 P CA 0.779 63.806 63.100 -0.121 0.000 0.768 353 P CB 0.851 32.491 31.700 -0.101 0.000 0.856 354 G N 1.650 110.475 108.800 0.041 0.000 2.301 354 G HA2 0.407 4.366 3.960 -0.001 0.000 0.290 354 G HA3 0.407 4.366 3.960 -0.001 0.000 0.290 354 G C -0.377 174.663 174.900 0.232 0.000 1.669 354 G CA -0.398 44.765 45.100 0.105 0.000 0.945 354 G HN 0.579 nan 8.290 nan 0.000 0.710 355 G N -0.705 108.210 108.800 0.192 0.000 2.636 355 G HA2 0.500 4.459 3.960 -0.001 0.000 0.246 355 G HA3 0.500 4.459 3.960 -0.001 0.000 0.246 355 G C 0.921 175.957 174.900 0.228 0.000 1.216 355 G CA -0.064 45.197 45.100 0.268 0.000 0.854 355 G HN 1.159 nan 8.290 nan 0.000 0.572 356 I N 0.222 120.843 120.570 0.086 0.000 4.018 356 I HA 0.206 4.375 4.170 -0.001 0.000 0.337 356 I C 1.559 177.666 176.117 -0.018 0.000 1.327 356 I CA -0.396 60.781 61.300 -0.205 0.000 1.100 356 I CB -0.005 37.426 38.000 -0.948 0.000 1.025 356 I HN 0.565 nan 8.210 nan 0.000 0.396 357 F N 1.809 121.757 119.950 -0.003 0.000 2.026 357 F HA -0.271 4.255 4.527 -0.001 0.000 0.296 357 F C 2.579 178.412 175.800 0.056 0.000 1.133 357 F CA 2.467 60.495 58.000 0.046 0.000 1.188 357 F CB -0.413 38.700 39.000 0.189 0.000 0.968 357 F HN 0.118 nan 8.300 nan 0.000 0.476 358 A N 0.194 123.237 122.820 0.373 0.000 1.892 358 A HA -0.176 4.143 4.320 -0.001 0.000 0.218 358 A C -0.354 177.222 177.584 -0.014 0.000 1.188 358 A CA 2.109 54.243 52.037 0.162 0.000 0.631 358 A CB -2.227 16.735 19.000 -0.064 0.000 0.822 358 A HN 0.329 nan 8.150 nan 0.000 0.447 359 P HA -0.085 nan 4.420 nan 0.000 0.228 359 P C 1.427 178.698 177.300 -0.048 0.000 1.151 359 P CA 1.016 64.099 63.100 -0.030 0.000 0.770 359 P CB -0.094 31.609 31.700 0.005 0.000 0.786 360 M N -1.969 117.578 119.600 -0.088 0.000 2.287 360 M HA -0.024 4.455 4.480 -0.001 0.000 0.266 360 M C 1.905 178.137 176.300 -0.114 0.000 1.079 360 M CA 1.227 56.429 55.300 -0.163 0.000 1.146 360 M CB -0.577 31.861 32.600 -0.270 0.000 1.374 360 M HN -0.053 nan 8.290 nan 0.000 0.435 361 L N 0.058 121.233 121.223 -0.080 0.000 1.989 361 L HA -0.224 4.116 4.340 -0.001 0.000 0.211 361 L C 2.815 179.716 176.870 0.053 0.000 1.071 361 L CA 1.603 56.434 54.840 -0.015 0.000 0.749 361 L CB -0.958 41.161 42.059 0.100 0.000 0.890 361 L HN 0.296 nan 8.230 nan 0.000 0.431 362 A N -0.229 122.637 122.820 0.077 0.000 1.940 362 A HA -0.195 4.124 4.320 -0.001 0.000 0.219 362 A C 2.270 179.913 177.584 0.097 0.000 1.176 362 A CA 1.575 53.671 52.037 0.099 0.000 0.631 362 A CB -0.723 18.321 19.000 0.073 0.000 0.814 362 A HN 0.380 nan 8.150 nan 0.000 0.446 363 L N -1.039 120.222 121.223 0.064 0.000 2.027 363 L HA -0.119 4.220 4.340 -0.001 0.000 0.206 363 L C 2.845 179.862 176.870 0.246 0.000 1.074 363 L CA 1.171 56.086 54.840 0.126 0.000 0.745 363 L CB -0.734 41.314 42.059 -0.019 0.000 0.898 363 L HN 0.511 nan 8.230 nan 0.000 0.433 364 G N -1.204 107.712 108.800 0.194 0.000 2.402 364 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.216 364 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.216 364 G C 1.519 176.560 174.900 0.235 0.000 1.162 364 G CA 1.109 46.393 45.100 0.306 0.000 0.777 364 G HN 0.244 nan 8.290 nan 0.000 0.539 365 T N 1.059 115.691 114.554 0.130 0.000 2.570 365 T HA -0.198 4.152 4.350 -0.001 0.000 0.266 365 T C 2.513 177.301 174.700 0.147 0.000 1.071 365 T CA 1.756 63.933 62.100 0.127 0.000 1.172 365 T CB -0.571 68.371 68.868 0.124 0.000 0.864 365 T HN 0.028 nan 8.240 nan 0.000 0.421 366 V N 1.481 121.482 119.914 0.146 0.000 2.252 366 V HA -0.179 3.940 4.120 -0.001 0.000 0.249 366 V C 2.446 178.546 176.094 0.010 0.000 1.056 366 V CA 1.867 64.233 62.300 0.111 0.000 1.022 366 V CB -0.805 31.103 31.823 0.141 0.000 0.641 366 V HN 0.328 nan 8.190 nan 0.000 0.445 367 L N 1.131 122.305 121.223 -0.081 0.000 1.990 367 L HA -0.118 4.221 4.340 -0.001 0.000 0.213 367 L C 2.408 179.220 176.870 -0.095 0.000 1.072 367 L CA 2.652 57.265 54.840 -0.379 0.000 0.755 367 L CB -1.425 40.265 42.059 -0.616 0.000 0.889 367 L HN 0.301 nan 8.230 nan 0.000 0.432 368 G N -1.989 106.891 108.800 0.133 0.000 2.476 368 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.218 368 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.218 368 G C 1.407 176.451 174.900 0.241 0.000 1.164 368 G CA 1.439 46.683 45.100 0.240 0.000 0.768 368 G HN 0.475 nan 8.290 nan 0.000 0.560 369 T N 1.994 116.654 114.554 0.177 0.000 2.570 369 T HA -0.158 4.192 4.350 -0.001 0.000 0.266 369 T C 2.802 177.560 174.700 0.097 0.000 1.071 369 T CA 2.237 64.432 62.100 0.160 0.000 1.172 369 T CB -0.770 68.189 68.868 0.152 0.000 0.864 369 T HN 0.444 nan 8.240 nan 0.000 0.421 370 A N 0.993 123.835 122.820 0.036 0.000 1.927 370 A HA -0.160 4.159 4.320 -0.001 0.000 0.220 370 A C 2.055 179.613 177.584 -0.045 0.000 1.185 370 A CA 2.045 54.066 52.037 -0.026 0.000 0.639 370 A CB -1.173 17.768 19.000 -0.100 0.000 0.820 370 A HN 0.502 nan 8.150 nan 0.000 0.451 371 F N 0.867 120.722 119.950 -0.159 0.000 2.069 371 F HA -0.047 4.479 4.527 -0.001 0.000 0.298 371 F C 2.390 177.992 175.800 -0.330 0.000 1.113 371 F CA 1.783 59.650 58.000 -0.222 0.000 1.214 371 F CB -0.810 38.078 39.000 -0.186 0.000 0.978 371 F HN 0.221 nan 8.300 nan 0.000 0.474 372 G N 0.730 109.451 108.800 -0.132 0.000 2.491 372 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.218 372 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.218 372 G C 1.682 176.435 174.900 -0.245 0.000 1.180 372 G CA 1.244 46.162 45.100 -0.303 0.000 0.774 372 G HN 0.380 nan 8.290 nan 0.000 0.562 373 M N 0.036 119.567 119.600 -0.114 0.000 2.089 373 M HA -0.159 4.320 4.480 -0.001 0.000 0.257 373 M C 2.697 178.896 176.300 -0.169 0.000 1.071 373 M CA 1.389 56.632 55.300 -0.096 0.000 1.096 373 M CB -0.745 31.826 32.600 -0.049 0.000 1.330 373 M HN 0.171 nan 8.290 nan 0.000 0.403 374 V N 0.135 119.892 119.914 -0.262 0.000 2.358 374 V HA -0.197 3.923 4.120 -0.001 0.000 0.246 374 V C 2.688 178.577 176.094 -0.341 0.000 1.047 374 V CA 1.802 63.922 62.300 -0.300 0.000 1.035 374 V CB -1.317 30.292 31.823 -0.356 0.000 0.658 374 V HN 0.516 nan 8.190 nan 0.000 0.452 375 A N -0.148 122.371 122.820 -0.501 0.000 1.908 375 A HA -0.177 4.142 4.320 -0.001 0.000 0.218 375 A C 2.421 179.962 177.584 -0.072 0.000 1.181 375 A CA 2.088 53.899 52.037 -0.376 0.000 0.627 375 A CB -0.746 17.740 19.000 -0.856 0.000 0.818 375 A HN 0.321 nan 8.150 nan 0.000 0.445 376 V N 0.742 120.581 119.914 -0.124 0.000 2.407 376 V HA -0.290 3.830 4.120 -0.001 0.000 0.248 376 V C 2.617 178.676 176.094 -0.058 0.000 1.055 376 V CA 2.471 64.756 62.300 -0.025 0.000 1.049 376 V CB -0.689 31.122 31.823 -0.019 0.000 0.662 376 V HN 0.939 nan 8.190 nan 0.000 0.455 377 E N -0.034 120.092 120.200 -0.124 0.000 2.170 377 E HA -0.108 4.242 4.350 -0.001 0.000 0.191 377 E C 2.002 178.457 176.600 -0.243 0.000 0.981 377 E CA 0.868 57.178 56.400 -0.151 0.000 0.830 377 E CB -0.252 29.363 29.700 -0.141 0.000 0.775 377 E HN 0.578 nan 8.360 nan 0.000 0.470 378 L N -0.219 120.779 121.223 -0.376 0.000 2.478 378 L HA 0.109 4.449 4.340 -0.001 0.000 0.223 378 L C 0.179 176.395 176.870 -1.089 0.000 1.140 378 L CA 0.386 54.764 54.840 -0.769 0.000 0.842 378 L CB 0.015 41.434 42.059 -1.068 0.000 0.953 378 L HN 0.114 nan 8.230 nan 0.000 0.452 379 F N -1.013 118.860 119.950 -0.127 0.000 2.766 379 F HA 0.288 4.814 4.527 -0.001 0.000 0.355 379 F C -1.732 173.969 175.800 -0.165 0.000 1.434 379 F CA -1.401 56.484 58.000 -0.191 0.000 1.139 379 F CB 0.395 39.273 39.000 -0.202 0.000 1.816 379 F HN -0.214 nan 8.300 nan 0.000 0.600 380 P HA -0.230 nan 4.420 nan 0.000 0.221 380 P C 1.220 178.404 177.300 -0.192 0.000 1.145 380 P CA 1.345 64.374 63.100 -0.118 0.000 0.795 380 P CB 0.276 31.896 31.700 -0.132 0.000 0.775 381 Q N -0.932 118.795 119.800 -0.123 0.000 2.472 381 Q HA -0.110 4.229 4.340 -0.001 0.000 0.208 381 Q C 1.240 177.337 176.000 0.161 0.000 0.958 381 Q CA 0.938 56.706 55.803 -0.059 0.000 0.932 381 Q CB -0.904 27.792 28.738 -0.070 0.000 1.007 381 Q HN 0.416 nan 8.270 nan 0.000 0.508 382 Y N 0.165 120.560 120.300 0.159 0.000 2.457 382 Y HA 0.076 4.625 4.550 -0.001 0.000 0.263 382 Y C -0.219 175.834 175.900 0.255 0.000 1.164 382 Y CA -0.504 57.714 58.100 0.198 0.000 1.274 382 Y CB 0.147 38.680 38.460 0.122 0.000 1.097 382 Y HN 0.274 nan 8.280 nan 0.000 0.523 383 H N -0.054 119.150 119.070 0.223 0.000 2.594 383 H HA -0.197 4.359 4.556 -0.001 0.000 0.316 383 H C -0.082 175.336 175.328 0.151 0.000 1.107 383 H CA 0.243 56.380 56.048 0.149 0.000 1.133 383 H CB -2.068 27.762 29.762 0.112 0.000 1.459 383 H HN 0.299 nan 8.280 nan 0.000 0.411 384 L N -0.012 121.357 121.223 0.244 0.000 2.474 384 L HA 0.188 4.528 4.340 -0.001 0.000 0.259 384 L C 1.024 178.010 176.870 0.193 0.000 1.232 384 L CA 0.412 55.399 54.840 0.245 0.000 0.821 384 L CB 0.519 42.749 42.059 0.284 0.000 1.108 384 L HN 0.456 nan 8.230 nan 0.000 0.495 385 E N -0.325 120.003 120.200 0.212 0.000 2.241 385 E HA 0.374 4.724 4.350 -0.001 0.000 0.263 385 E C 0.103 176.848 176.600 0.242 0.000 0.882 385 E CA -0.359 56.142 56.400 0.168 0.000 0.769 385 E CB 1.881 31.652 29.700 0.118 0.000 1.185 385 E HN 0.636 nan 8.360 nan 0.000 0.415 386 A N 3.852 126.794 122.820 0.204 0.000 1.940 386 A HA -0.148 4.171 4.320 -0.001 0.000 0.219 386 A C 1.938 179.692 177.584 0.284 0.000 1.176 386 A CA 1.986 54.176 52.037 0.255 0.000 0.631 386 A CB -1.072 18.012 19.000 0.140 0.000 0.814 386 A HN 0.840 nan 8.150 nan 0.000 0.446 387 G N -0.110 108.797 108.800 0.177 0.000 2.547 387 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.221 387 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.221 387 G C 1.785 176.751 174.900 0.110 0.000 1.140 387 G CA 2.501 47.678 45.100 0.128 0.000 0.760 387 G HN 0.812 nan 8.290 nan 0.000 0.583 388 T N -1.362 113.244 114.554 0.087 0.000 2.788 388 T HA -0.081 4.268 4.350 -0.001 0.000 0.268 388 T C 2.111 176.786 174.700 -0.041 0.000 1.044 388 T CA 1.396 63.469 62.100 -0.045 0.000 1.139 388 T CB -0.462 68.321 68.868 -0.142 0.000 0.867 388 T HN 0.209 nan 8.240 nan 0.000 0.454 389 F N 2.041 122.130 119.950 0.231 0.000 2.259 389 F HA 0.357 4.883 4.527 -0.001 0.000 0.298 389 F C 2.955 178.851 175.800 0.158 0.000 1.088 389 F CA 0.396 58.555 58.000 0.265 0.000 1.358 389 F CB -0.808 38.340 39.000 0.247 0.000 1.040 389 F HN 0.251 nan 8.300 nan 0.000 0.505 390 A N 0.558 123.543 122.820 0.276 0.000 1.908 390 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 390 A C 2.233 179.868 177.584 0.084 0.000 1.181 390 A CA 1.537 53.678 52.037 0.172 0.000 0.627 390 A CB -0.817 18.273 19.000 0.150 0.000 0.818 390 A HN 0.283 nan 8.150 nan 0.000 0.445 391 I N -0.335 120.256 120.570 0.035 0.000 2.439 391 I HA -0.183 3.987 4.170 -0.001 0.000 0.251 391 I C 2.825 178.883 176.117 -0.099 0.000 1.139 391 I CA 1.331 62.606 61.300 -0.042 0.000 1.438 391 I CB -1.310 36.648 38.000 -0.071 0.000 1.085 391 I HN 0.380 nan 8.210 nan 0.000 0.427 392 A N 0.648 123.415 122.820 -0.087 0.000 1.968 392 A HA -0.011 4.308 4.320 -0.001 0.000 0.217 392 A C 2.379 179.861 177.584 -0.171 0.000 1.169 392 A CA 1.591 53.543 52.037 -0.142 0.000 0.638 392 A CB -0.968 18.002 19.000 -0.051 0.000 0.812 392 A HN 0.422 nan 8.150 nan 0.000 0.446 393 G N -1.300 107.443 108.800 -0.094 0.000 2.683 393 G HA2 0.008 3.967 3.960 -0.001 0.000 0.213 393 G HA3 0.008 3.967 3.960 -0.001 0.000 0.213 393 G C 1.465 176.180 174.900 -0.307 0.000 1.142 393 G CA 0.711 45.666 45.100 -0.242 0.000 0.793 393 G HN 0.445 nan 8.290 nan 0.000 0.534 394 M N 1.035 120.540 119.600 -0.157 0.000 2.108 394 M HA -0.001 4.478 4.480 -0.001 0.000 0.261 394 M C 2.200 178.372 176.300 -0.213 0.000 1.066 394 M CA 1.911 57.138 55.300 -0.122 0.000 1.107 394 M CB -0.068 32.486 32.600 -0.076 0.000 1.356 394 M HN 0.186 nan 8.290 nan 0.000 0.406 395 G N -1.513 107.126 108.800 -0.269 0.000 3.189 395 G HA2 0.342 4.301 3.960 -0.001 0.000 0.225 395 G HA3 0.342 4.301 3.960 -0.001 0.000 0.225 395 G C 1.128 175.798 174.900 -0.383 0.000 1.159 395 G CA 0.482 45.407 45.100 -0.292 0.000 0.763 395 G HN 0.577 nan 8.290 nan 0.000 0.549 396 A N 0.367 122.828 122.820 -0.598 0.000 1.903 396 A HA 0.234 4.553 4.320 -0.001 0.000 0.213 396 A C 2.149 179.374 177.584 -0.597 0.000 1.185 396 A CA 0.515 52.049 52.037 -0.838 0.000 0.628 396 A CB -0.330 17.639 19.000 -1.718 0.000 0.830 396 A HN 0.325 nan 8.150 nan 0.000 0.446 397 L N -0.227 120.741 121.223 -0.426 0.000 2.017 397 L HA -0.157 4.183 4.340 -0.001 0.000 0.208 397 L C 2.487 179.253 176.870 -0.173 0.000 1.073 397 L CA 1.509 56.337 54.840 -0.020 0.000 0.745 397 L CB -0.452 41.635 42.059 0.046 0.000 0.894 397 L HN 0.419 nan 8.230 nan 0.000 0.432 398 L N -0.404 120.643 121.223 -0.293 0.000 2.089 398 L HA -0.290 4.049 4.340 -0.001 0.000 0.213 398 L C 2.769 179.495 176.870 -0.241 0.000 1.079 398 L CA 1.495 56.118 54.840 -0.361 0.000 0.758 398 L CB -0.623 41.147 42.059 -0.481 0.000 0.891 398 L HN 0.368 nan 8.230 nan 0.000 0.433 399 A N -0.463 122.227 122.820 -0.218 0.000 1.855 399 A HA -0.140 4.179 4.320 -0.001 0.000 0.215 399 A C 2.393 179.911 177.584 -0.110 0.000 1.191 399 A CA 1.766 53.709 52.037 -0.158 0.000 0.613 399 A CB -0.619 18.273 19.000 -0.180 0.000 0.829 399 A HN 0.439 nan 8.150 nan 0.000 0.442 400 A N -1.660 121.111 122.820 -0.081 0.000 2.072 400 A HA 0.172 4.491 4.320 -0.001 0.000 0.216 400 A C 2.265 179.821 177.584 -0.047 0.000 1.156 400 A CA 1.654 53.670 52.037 -0.035 0.000 0.701 400 A CB -0.296 18.732 19.000 0.047 0.000 0.816 400 A HN 0.404 nan 8.150 nan 0.000 0.458 401 S N -0.957 114.703 115.700 -0.068 0.000 2.475 401 S HA 0.261 4.731 4.470 -0.001 0.000 0.224 401 S C 1.473 176.012 174.600 -0.101 0.000 1.042 401 S CA 0.372 58.532 58.200 -0.067 0.000 0.935 401 S CB -0.025 63.152 63.200 -0.037 0.000 0.801 401 S HN 0.485 nan 8.310 nan 0.000 0.509 402 I N 0.720 121.208 120.570 -0.136 0.000 3.854 402 I HA 0.176 4.346 4.170 -0.001 0.000 0.312 402 I C -0.071 176.025 176.117 -0.036 0.000 1.273 402 I CA 0.205 61.435 61.300 -0.118 0.000 1.298 402 I CB 0.141 38.037 38.000 -0.172 0.000 1.071 402 I HN 0.106 nan 8.210 nan 0.000 0.428 403 R N 0.785 121.253 120.500 -0.054 0.000 3.531 403 R HA -0.168 4.171 4.340 -0.001 0.000 0.280 403 R C 0.279 176.568 176.300 -0.018 0.000 1.130 403 R CA 0.769 56.844 56.100 -0.041 0.000 0.757 403 R CB -2.759 27.523 30.300 -0.030 0.000 1.218 403 R HN 0.398 nan 8.270 nan 0.000 0.454 404 A N 0.233 123.047 122.820 -0.009 0.000 3.154 404 A HA 0.402 4.721 4.320 -0.001 0.000 0.310 404 A C -0.784 176.801 177.584 0.000 0.000 1.093 404 A CA -0.896 51.164 52.037 0.038 0.000 1.006 404 A CB 0.471 19.564 19.000 0.155 0.000 1.084 404 A HN 0.049 nan 8.150 nan 0.000 0.549 405 P HA -0.215 nan 4.420 nan 0.000 0.214 405 P C 1.655 178.928 177.300 -0.045 0.000 1.163 405 P CA 0.828 63.888 63.100 -0.067 0.000 0.883 405 P CB 0.164 31.820 31.700 -0.074 0.000 0.788 406 L N -0.005 121.203 121.223 -0.024 0.000 2.051 406 L HA -0.160 4.179 4.340 -0.001 0.000 0.214 406 L C 2.354 179.229 176.870 0.008 0.000 1.076 406 L CA 2.322 57.155 54.840 -0.011 0.000 0.758 406 L CB -1.932 40.125 42.059 -0.003 0.000 0.890 406 L HN -0.019 nan 8.230 nan 0.000 0.433 407 T N -0.767 113.815 114.554 0.046 0.000 2.777 407 T HA -0.072 4.277 4.350 -0.001 0.000 0.266 407 T C 1.673 176.410 174.700 0.061 0.000 1.040 407 T CA 1.167 63.327 62.100 0.100 0.000 1.141 407 T CB -0.776 68.235 68.868 0.238 0.000 0.868 407 T HN 0.592 nan 8.240 nan 0.000 0.444 408 G N 1.606 110.413 108.800 0.011 0.000 2.480 408 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.216 408 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.216 408 G C 1.517 176.363 174.900 -0.090 0.000 1.200 408 G CA 0.741 45.797 45.100 -0.073 0.000 0.782 408 G HN 0.482 nan 8.290 nan 0.000 0.554 409 I N 0.605 121.122 120.570 -0.089 0.000 2.113 409 I HA -0.271 3.898 4.170 -0.001 0.000 0.242 409 I C 2.719 178.801 176.117 -0.059 0.000 1.057 409 I CA 1.342 62.590 61.300 -0.086 0.000 1.314 409 I CB -0.259 37.695 38.000 -0.075 0.000 1.022 409 I HN 0.160 nan 8.210 nan 0.000 0.408 410 I N -0.279 120.271 120.570 -0.034 0.000 2.546 410 I HA -0.249 3.920 4.170 -0.001 0.000 0.255 410 I C 2.376 178.467 176.117 -0.044 0.000 1.163 410 I CA 0.712 61.998 61.300 -0.024 0.000 1.457 410 I CB -0.108 37.885 38.000 -0.011 0.000 1.092 410 I HN 0.243 nan 8.210 nan 0.000 0.434 411 L N 0.206 121.395 121.223 -0.057 0.000 2.027 411 L HA -0.143 4.196 4.340 -0.001 0.000 0.206 411 L C 2.378 179.167 176.870 -0.136 0.000 1.074 411 L CA 1.778 56.554 54.840 -0.106 0.000 0.745 411 L CB -0.361 41.621 42.059 -0.128 0.000 0.898 411 L HN -0.049 nan 8.230 nan 0.000 0.433 412 V N -0.668 119.171 119.914 -0.126 0.000 2.307 412 V HA -0.279 3.840 4.120 -0.001 0.000 0.245 412 V C 2.503 178.546 176.094 -0.085 0.000 1.045 412 V CA 1.707 63.935 62.300 -0.120 0.000 1.024 412 V CB -0.564 31.184 31.823 -0.125 0.000 0.651 412 V HN 0.454 nan 8.190 nan 0.000 0.449 413 L N 0.273 121.460 121.223 -0.060 0.000 1.976 413 L HA -0.293 4.046 4.340 -0.001 0.000 0.223 413 L C 2.503 179.355 176.870 -0.031 0.000 1.081 413 L CA 2.290 57.117 54.840 -0.021 0.000 0.784 413 L CB -0.642 41.426 42.059 0.015 0.000 0.896 413 L HN 0.363 nan 8.230 nan 0.000 0.438 414 E N -1.441 118.733 120.200 -0.044 0.000 2.331 414 E HA -0.233 4.116 4.350 -0.001 0.000 0.199 414 E C 1.954 178.523 176.600 -0.052 0.000 1.008 414 E CA 1.216 57.590 56.400 -0.044 0.000 0.843 414 E CB -0.084 29.588 29.700 -0.047 0.000 0.761 414 E HN 0.571 nan 8.360 nan 0.000 0.507 415 M N -1.159 118.397 119.600 -0.074 0.000 2.367 415 M HA 0.016 4.495 4.480 -0.001 0.000 0.256 415 M C 1.491 177.744 176.300 -0.078 0.000 1.091 415 M CA 0.713 55.958 55.300 -0.092 0.000 1.049 415 M CB 0.838 33.348 32.600 -0.150 0.000 1.406 415 M HN 0.082 nan 8.290 nan 0.000 0.498 416 T N -5.559 108.960 114.554 -0.059 0.000 3.041 416 T HA 0.098 4.448 4.350 -0.001 0.000 0.276 416 T C 0.441 175.125 174.700 -0.026 0.000 0.948 416 T CA -0.084 61.988 62.100 -0.046 0.000 0.885 416 T CB 0.194 69.031 68.868 -0.051 0.000 1.175 416 T HN 0.175 nan 8.240 nan 0.000 0.529 417 D N 2.120 122.510 120.400 -0.017 0.000 2.701 417 D HA -0.172 4.468 4.640 -0.001 0.000 0.235 417 D C -0.610 175.698 176.300 0.014 0.000 1.155 417 D CA 0.474 54.476 54.000 0.003 0.000 0.649 417 D CB -1.822 38.978 40.800 -0.000 0.000 1.050 417 D HN 0.623 nan 8.370 nan 0.000 0.425 418 N N 0.676 119.380 118.700 0.006 0.000 3.040 418 N HA 0.008 4.747 4.740 -0.001 0.000 0.305 418 N C 0.573 176.081 175.510 -0.003 0.000 1.611 418 N CA -0.384 52.662 53.050 -0.007 0.000 1.049 418 N CB 0.175 38.636 38.487 -0.044 0.000 1.342 418 N HN 0.257 nan 8.380 nan 0.000 0.497 419 Y N 2.008 122.266 120.300 -0.070 0.000 2.483 419 Y HA -0.215 4.334 4.550 -0.001 0.000 0.291 419 Y C 1.843 177.691 175.900 -0.086 0.000 1.143 419 Y CA 1.703 59.758 58.100 -0.075 0.000 1.289 419 Y CB 0.308 38.734 38.460 -0.057 0.000 0.983 419 Y HN 0.322 nan 8.280 nan 0.000 0.556 420 Q N 0.058 119.750 119.800 -0.181 0.000 2.291 420 Q HA -0.088 4.252 4.340 -0.001 0.000 0.206 420 Q C 1.537 177.338 176.000 -0.331 0.000 0.976 420 Q CA 1.519 57.168 55.803 -0.256 0.000 0.875 420 Q CB -0.558 28.102 28.738 -0.130 0.000 0.927 420 Q HN 0.501 nan 8.270 nan 0.000 0.450 421 L N -0.038 120.999 121.223 -0.309 0.000 2.627 421 L HA 0.094 4.433 4.340 -0.001 0.000 0.232 421 L C 1.446 178.072 176.870 -0.408 0.000 1.150 421 L CA -0.284 54.341 54.840 -0.358 0.000 0.917 421 L CB -0.205 41.669 42.059 -0.309 0.000 1.104 421 L HN 0.215 nan 8.230 nan 0.000 0.445 422 I N 0.405 120.688 120.570 -0.478 0.000 2.151 422 I HA -0.314 3.855 4.170 -0.001 0.000 0.243 422 I C 2.178 178.093 176.117 -0.336 0.000 1.080 422 I CA 1.743 62.785 61.300 -0.430 0.000 1.339 422 I CB -0.008 37.584 38.000 -0.679 0.000 1.039 422 I HN 0.138 nan 8.210 nan 0.000 0.409 423 L N 0.783 121.803 121.223 -0.339 0.000 1.970 423 L HA -0.141 4.199 4.340 -0.001 0.000 0.212 423 L C -0.393 176.274 176.870 -0.338 0.000 1.071 423 L CA 2.478 57.157 54.840 -0.268 0.000 0.751 423 L CB -2.065 39.864 42.059 -0.216 0.000 0.889 423 L HN 0.169 nan 8.230 nan 0.000 0.432 424 P HA -0.207 nan 4.420 nan 0.000 0.217 424 P C 1.938 178.858 177.300 -0.634 0.000 1.151 424 P CA 1.729 64.273 63.100 -0.927 0.000 0.849 424 P CB -0.064 30.651 31.700 -1.641 0.000 0.787 425 M N -1.664 117.654 119.600 -0.470 0.000 2.062 425 M HA -0.118 4.361 4.480 -0.001 0.000 0.259 425 M C 2.255 178.417 176.300 -0.230 0.000 1.076 425 M CA 1.851 56.960 55.300 -0.319 0.000 1.122 425 M CB -1.005 31.439 32.600 -0.260 0.000 1.312 425 M HN -0.157 nan 8.290 nan 0.000 0.412 426 I N 0.514 120.967 120.570 -0.195 0.000 2.185 426 I HA -0.357 3.812 4.170 -0.001 0.000 0.246 426 I C 2.305 178.350 176.117 -0.121 0.000 1.088 426 I CA 1.633 62.850 61.300 -0.138 0.000 1.347 426 I CB -0.456 37.476 38.000 -0.112 0.000 1.041 426 I HN 0.313 nan 8.210 nan 0.000 0.415 427 I N -0.016 120.475 120.570 -0.130 0.000 2.202 427 I HA -0.262 3.908 4.170 -0.001 0.000 0.242 427 I C 2.531 178.615 176.117 -0.055 0.000 1.091 427 I CA 1.569 62.826 61.300 -0.071 0.000 1.368 427 I CB -0.487 37.492 38.000 -0.036 0.000 1.058 427 I HN 0.195 nan 8.210 nan 0.000 0.410 428 T N 0.269 114.776 114.554 -0.078 0.000 2.746 428 T HA -0.122 4.227 4.350 -0.001 0.000 0.267 428 T C 1.865 176.493 174.700 -0.121 0.000 1.039 428 T CA 1.517 63.575 62.100 -0.069 0.000 1.142 428 T CB -0.654 68.163 68.868 -0.085 0.000 0.866 428 T HN 0.585 nan 8.240 nan 0.000 0.444 429 G N 0.883 109.590 108.800 -0.154 0.000 2.394 429 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.215 429 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.215 429 G C 1.532 176.362 174.900 -0.117 0.000 1.165 429 G CA 0.508 45.508 45.100 -0.166 0.000 0.784 429 G HN 0.428 nan 8.290 nan 0.000 0.535 430 L N 0.967 122.134 121.223 -0.093 0.000 2.005 430 L HA 0.171 4.510 4.340 -0.001 0.000 0.207 430 L C 2.912 179.741 176.870 -0.068 0.000 1.072 430 L CA 2.061 56.856 54.840 -0.076 0.000 0.744 430 L CB -0.689 41.335 42.059 -0.059 0.000 0.895 430 L HN 0.197 nan 8.230 nan 0.000 0.433 431 G N -1.110 107.663 108.800 -0.046 0.000 2.485 431 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.221 431 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.221 431 G C 1.543 176.428 174.900 -0.025 0.000 1.115 431 G CA 0.827 45.914 45.100 -0.022 0.000 0.751 431 G HN 0.615 nan 8.290 nan 0.000 0.567 432 A N 0.131 122.928 122.820 -0.039 0.000 1.872 432 A HA 0.035 4.354 4.320 -0.001 0.000 0.214 432 A C 2.515 180.068 177.584 -0.052 0.000 1.187 432 A CA 2.280 54.307 52.037 -0.017 0.000 0.614 432 A CB -0.866 18.103 19.000 -0.050 0.000 0.826 432 A HN 0.258 nan 8.150 nan 0.000 0.442 433 T N 0.421 114.923 114.554 -0.088 0.000 2.788 433 T HA -0.048 4.302 4.350 -0.001 0.000 0.268 433 T C 1.800 176.395 174.700 -0.174 0.000 1.044 433 T CA 1.126 63.160 62.100 -0.112 0.000 1.139 433 T CB -0.324 68.479 68.868 -0.107 0.000 0.867 433 T HN 0.308 nan 8.240 nan 0.000 0.454 434 L N 0.517 121.622 121.223 -0.197 0.000 2.042 434 L HA -0.070 4.269 4.340 -0.001 0.000 0.210 434 L C 2.361 178.967 176.870 -0.441 0.000 1.076 434 L CA 1.241 55.865 54.840 -0.361 0.000 0.749 434 L CB -0.395 41.525 42.059 -0.232 0.000 0.893 434 L HN 0.300 nan 8.230 nan 0.000 0.432 435 L N -1.024 120.090 121.223 -0.181 0.000 2.270 435 L HA -0.059 4.280 4.340 -0.001 0.000 0.210 435 L C 2.765 179.602 176.870 -0.056 0.000 1.104 435 L CA 1.130 55.929 54.840 -0.068 0.000 0.804 435 L CB -1.041 41.032 42.059 0.024 0.000 0.937 435 L HN 0.206 nan 8.230 nan 0.000 0.450 436 A N -0.204 122.570 122.820 -0.078 0.000 1.940 436 A HA -0.281 4.038 4.320 -0.001 0.000 0.219 436 A C 2.262 179.804 177.584 -0.071 0.000 1.176 436 A CA 1.902 53.904 52.037 -0.059 0.000 0.631 436 A CB -0.416 18.548 19.000 -0.060 0.000 0.814 436 A HN 0.502 nan 8.150 nan 0.000 0.446 437 Q N -1.334 118.372 119.800 -0.156 0.000 1.965 437 Q HA -0.140 4.199 4.340 -0.001 0.000 0.200 437 Q C 1.551 177.561 176.000 0.016 0.000 0.981 437 Q CA 1.725 57.444 55.803 -0.140 0.000 0.834 437 Q CB -0.270 28.284 28.738 -0.307 0.000 0.900 437 Q HN 0.543 nan 8.270 nan 0.000 0.426 438 F N 0.737 120.695 119.950 0.013 0.000 2.546 438 F HA -0.036 4.490 4.527 -0.001 0.000 0.298 438 F C 2.185 177.993 175.800 0.013 0.000 1.120 438 F CA 1.370 59.379 58.000 0.015 0.000 1.456 438 F CB -0.781 38.229 39.000 0.018 0.000 1.088 438 F HN 0.284 nan 8.300 nan 0.000 0.572 439 T N -2.925 111.724 114.554 0.158 0.000 3.105 439 T HA 0.432 4.782 4.350 -0.001 0.000 0.253 439 T C 1.117 175.852 174.700 0.058 0.000 1.047 439 T CA 0.229 62.385 62.100 0.093 0.000 0.944 439 T CB -0.347 68.558 68.868 0.061 0.000 1.016 439 T HN 0.404 nan 8.240 nan 0.000 0.544 440 G N 0.064 108.904 108.800 0.067 0.000 2.460 440 G HA2 0.270 4.230 3.960 -0.001 0.000 0.259 440 G HA3 0.270 4.230 3.960 -0.001 0.000 0.259 440 G C 0.118 175.027 174.900 0.016 0.000 0.959 440 G CA -0.322 44.806 45.100 0.048 0.000 1.330 440 G HN 1.118 nan 8.290 nan 0.000 0.451 441 G N -0.021 108.781 108.800 0.004 0.000 2.766 441 G HA2 0.852 4.811 3.960 -0.001 0.000 0.288 441 G HA3 0.852 4.811 3.960 -0.001 0.000 0.288 441 G C -0.777 174.121 174.900 -0.003 0.000 1.408 441 G CA -0.889 44.203 45.100 -0.014 0.000 0.852 441 G HN 0.552 nan 8.290 nan 0.000 0.487 442 K N -0.185 120.213 120.400 -0.003 0.000 2.444 442 K HA 0.530 4.849 4.320 -0.001 0.000 0.252 442 K C -2.743 173.865 176.600 0.013 0.000 0.993 442 K CA -1.760 54.537 56.287 0.016 0.000 0.847 442 K CB 2.619 35.140 32.500 0.035 0.000 1.340 442 K HN 0.150 nan 8.250 nan 0.000 0.446 443 P HA -0.111 nan 4.420 nan 0.000 0.255 443 P C 0.489 177.823 177.300 0.058 0.000 1.173 443 P CA 0.280 63.401 63.100 0.036 0.000 0.780 443 P CB 0.284 32.021 31.700 0.061 0.000 0.758 444 L N 4.193 125.425 121.223 0.016 0.000 2.079 444 L HA -0.207 4.133 4.340 -0.001 0.000 0.210 444 L C 1.451 178.413 176.870 0.154 0.000 1.081 444 L CA 2.037 56.897 54.840 0.033 0.000 0.752 444 L CB -0.641 41.389 42.059 -0.048 0.000 0.896 444 L HN 0.445 nan 8.230 nan 0.000 0.433 445 Y N -0.971 119.400 120.300 0.119 0.000 2.483 445 Y HA -0.201 4.348 4.550 -0.001 0.000 0.291 445 Y C 2.748 178.711 175.900 0.106 0.000 1.143 445 Y CA 0.664 58.848 58.100 0.140 0.000 1.289 445 Y CB 0.232 38.792 38.460 0.167 0.000 0.983 445 Y HN 0.255 nan 8.280 nan 0.000 0.556 446 S N -0.884 114.955 115.700 0.231 0.000 2.468 446 S HA 0.048 4.517 4.470 -0.001 0.000 0.226 446 S C 2.111 176.789 174.600 0.130 0.000 1.051 446 S CA 0.558 58.856 58.200 0.162 0.000 0.943 446 S CB -0.056 63.229 63.200 0.142 0.000 0.810 446 S HN 0.434 nan 8.310 nan 0.000 0.509 447 A N 1.026 123.916 122.820 0.117 0.000 2.067 447 A HA 0.073 4.392 4.320 -0.001 0.000 0.219 447 A C 1.832 179.474 177.584 0.096 0.000 1.158 447 A CA 0.909 52.999 52.037 0.089 0.000 0.661 447 A CB -0.520 18.521 19.000 0.069 0.000 0.801 447 A HN 0.528 nan 8.150 nan 0.000 0.452 448 I N -1.288 119.364 120.570 0.136 0.000 2.480 448 I HA -0.116 4.053 4.170 -0.001 0.000 0.251 448 I C 2.249 178.426 176.117 0.101 0.000 1.124 448 I CA 0.469 61.851 61.300 0.137 0.000 1.444 448 I CB -0.073 38.057 38.000 0.216 0.000 1.098 448 I HN 0.336 nan 8.210 nan 0.000 0.428 449 L N 1.215 122.499 121.223 0.102 0.000 2.083 449 L HA -0.112 4.227 4.340 -0.001 0.000 0.209 449 L C 2.477 179.378 176.870 0.052 0.000 1.083 449 L CA 2.050 56.931 54.840 0.068 0.000 0.752 449 L CB -0.707 41.393 42.059 0.069 0.000 0.899 449 L HN 0.180 nan 8.230 nan 0.000 0.433 450 A N -0.899 121.955 122.820 0.057 0.000 1.968 450 A HA -0.099 4.221 4.320 -0.001 0.000 0.217 450 A C 2.292 179.893 177.584 0.028 0.000 1.169 450 A CA 0.856 52.916 52.037 0.038 0.000 0.638 450 A CB -0.358 18.667 19.000 0.041 0.000 0.812 450 A HN 0.370 nan 8.150 nan 0.000 0.446 451 R N -0.545 119.976 120.500 0.035 0.000 2.082 451 R HA -0.084 4.255 4.340 -0.001 0.000 0.228 451 R C 2.234 178.543 176.300 0.016 0.000 1.140 451 R CA 1.845 57.958 56.100 0.022 0.000 0.920 451 R CB -1.651 28.666 30.300 0.028 0.000 0.828 451 R HN 0.468 nan 8.270 nan 0.000 0.430 452 T N 2.303 116.872 114.554 0.024 0.000 2.653 452 T HA -0.187 4.163 4.350 -0.001 0.000 0.267 452 T C 1.844 176.551 174.700 0.013 0.000 1.037 452 T CA 1.726 63.837 62.100 0.019 0.000 1.159 452 T CB -0.245 68.637 68.868 0.024 0.000 0.859 452 T HN -0.016 nan 8.240 nan 0.000 0.449 453 L N 0.461 121.692 121.223 0.014 0.000 2.156 453 L HA 0.202 4.542 4.340 -0.001 0.000 0.208 453 L C 2.654 179.526 176.870 0.004 0.000 1.095 453 L CA 1.413 56.258 54.840 0.009 0.000 0.770 453 L CB -1.141 40.923 42.059 0.008 0.000 0.914 453 L HN 0.257 nan 8.230 nan 0.000 0.439 454 A N -1.361 121.461 122.820 0.003 0.000 2.014 454 A HA -0.149 4.170 4.320 -0.001 0.000 0.218 454 A C 2.331 179.913 177.584 -0.003 0.000 1.163 454 A CA 1.200 53.236 52.037 -0.001 0.000 0.652 454 A CB -0.265 18.734 19.000 -0.002 0.000 0.808 454 A HN 0.341 nan 8.150 nan 0.000 0.449 455 K N -0.985 119.413 120.400 -0.004 0.000 2.137 455 K HA -0.025 4.294 4.320 -0.001 0.000 0.202 455 K C 2.181 178.781 176.600 -0.001 0.000 1.052 455 K CA 0.938 57.220 56.287 -0.007 0.000 0.961 455 K CB -0.059 32.432 32.500 -0.014 0.000 0.741 455 K HN 0.538 nan 8.250 nan 0.000 0.452 456 Q N 0.757 120.559 119.800 0.003 0.000 2.364 456 Q HA -0.183 4.156 4.340 -0.001 0.000 0.207 456 Q C 1.743 177.746 176.000 0.004 0.000 0.970 456 Q CA 1.237 57.043 55.803 0.006 0.000 0.888 456 Q CB 0.307 29.049 28.738 0.007 0.000 0.951 456 Q HN 0.316 nan 8.270 nan 0.000 0.469 457 E N -0.451 119.750 120.200 0.002 0.000 2.045 457 E HA 0.058 4.407 4.350 -0.001 0.000 0.190 457 E C 0.403 177.003 176.600 0.000 0.000 0.968 457 E CA 0.557 56.958 56.400 0.001 0.000 0.813 457 E CB 0.014 29.713 29.700 -0.002 0.000 0.780 457 E HN 0.284 nan 8.360 nan 0.000 0.455 458 A N 0.000 122.819 122.820 -0.002 0.000 2.254 458 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 458 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 458 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 458 A HN 0.000 nan 8.150 nan 0.000 0.486