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 1tjw_1_C DATA FIRST_RESID 20 DATA SEQUENCE DPIMEKLNSS IAYDQRLSEV DIQGSMAYAK ALEKAGILTK TELEKILSGL DATA SEQUENCE EKISEEWSKG VFVVKQSDED IHTANERRLK ELIGDIAGKL HTGRSRNDQV DATA SEQUENCE VTDLKLFMKN SLSIISTHLL QLIKTLVERA AIEIDVILPG YDHLQKAQPI DATA SEQUENCE RWSQFLLSHA VALTRDSERL GEVKKRINVL PLGSGALAGN PLDIDREMLR DATA SEQUENCE SELEFASISL NSMDAISERD FVVEFLSFAT LLMIHLSKMA EDLIIYSTSE DATA SEQUENCE FGFLTLSDAF STGSSLMPQK KNPDSLELIR SKAGRVFGRL ASILMVLKGL DATA SEQUENCE PSTYNKDLQE DKEAVFDVVD TLTAVLQVAT GVISTLQISK ENMEKALTPE DATA SEQUENCE MLATDLALYL VRKGVPFRQA HTASGKAVHL AETKGITINK LSLEDLKSIS DATA SEQUENCE PQFSSDVSQV FNFVNSVEQY TALAGTAKSS VTTQIEQLRE LMKKQKEQA 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 20 D HA 0.000 nan 4.640 nan 0.000 0.175 20 D C 0.000 176.308 176.300 0.013 0.000 2.045 20 D CA 0.000 54.007 54.000 0.012 0.000 0.868 20 D CB 0.000 40.807 40.800 0.012 0.000 0.688 21 P HA -0.101 nan 4.420 nan 0.000 0.218 21 P C 1.473 178.783 177.300 0.016 0.000 1.149 21 P CA 0.510 63.619 63.100 0.014 0.000 0.817 21 P CB 0.404 32.111 31.700 0.012 0.000 0.785 22 I N -0.834 119.746 120.570 0.015 0.000 2.286 22 I HA -0.137 4.034 4.170 0.001 0.000 0.245 22 I C 2.517 178.646 176.117 0.020 0.000 1.104 22 I CA 1.201 62.511 61.300 0.017 0.000 1.397 22 I CB -1.381 36.627 38.000 0.014 0.000 1.072 22 I HN 0.004 nan 8.210 nan 0.000 0.417 23 M N 1.423 121.034 119.600 0.019 0.000 2.086 23 M HA -0.174 4.306 4.480 0.001 0.000 0.261 23 M C 2.078 178.393 176.300 0.025 0.000 1.067 23 M CA 1.786 57.098 55.300 0.021 0.000 1.116 23 M CB -0.563 32.048 32.600 0.019 0.000 1.348 23 M HN 0.066 nan 8.290 nan 0.000 0.407 24 E N 0.593 120.806 120.200 0.023 0.000 2.058 24 E HA -0.217 4.133 4.350 0.001 0.000 0.194 24 E C 2.280 178.896 176.600 0.027 0.000 0.997 24 E CA 2.296 58.710 56.400 0.024 0.000 0.801 24 E CB -0.824 28.887 29.700 0.019 0.000 0.746 24 E HN 0.718 nan 8.360 nan 0.000 0.450 25 K N 1.145 121.562 120.400 0.028 0.000 2.057 25 K HA -0.074 4.246 4.320 0.001 0.000 0.206 25 K C 2.182 178.811 176.600 0.047 0.000 1.050 25 K CA 1.332 57.640 56.287 0.035 0.000 0.935 25 K CB -1.076 31.443 32.500 0.033 0.000 0.715 25 K HN 0.063 nan 8.250 nan 0.000 0.439 26 L N 1.635 122.884 121.223 0.044 0.000 2.046 26 L HA -0.091 4.249 4.340 0.001 0.000 0.208 26 L C 2.076 178.984 176.870 0.063 0.000 1.077 26 L CA 2.100 56.971 54.840 0.051 0.000 0.747 26 L CB -0.437 41.643 42.059 0.036 0.000 0.896 26 L HN 0.517 nan 8.230 nan 0.000 0.432 27 N N -0.850 117.881 118.700 0.052 0.000 2.270 27 N HA -0.093 4.647 4.740 0.001 0.000 0.181 27 N C 0.720 176.265 175.510 0.058 0.000 1.016 27 N CA 0.768 53.853 53.050 0.058 0.000 0.870 27 N CB -0.151 38.365 38.487 0.047 0.000 0.979 27 N HN 0.362 nan 8.380 nan 0.000 0.431 28 S N -0.740 114.984 115.700 0.041 0.000 2.549 28 S HA 0.125 4.596 4.470 0.001 0.000 0.286 28 S C 1.002 175.587 174.600 -0.026 0.000 1.314 28 S CA 0.098 58.301 58.200 0.006 0.000 1.062 28 S CB 0.380 63.581 63.200 0.002 0.000 0.865 28 S HN 0.380 nan 8.310 nan 0.000 0.498 29 S N 4.305 119.914 115.700 -0.151 0.000 2.603 29 S HA 0.105 4.575 4.470 0.001 0.000 0.232 29 S C 1.344 175.486 174.600 -0.763 0.000 1.016 29 S CA -0.248 57.642 58.200 -0.517 0.000 0.976 29 S CB -0.233 62.771 63.200 -0.326 0.000 0.921 29 S HN 0.668 nan 8.310 nan 0.000 0.516 30 I N 3.442 123.793 120.570 -0.365 0.000 2.248 30 I HA -0.092 4.079 4.170 0.001 0.000 0.248 30 I C 2.443 178.414 176.117 -0.243 0.000 1.107 30 I CA 1.107 62.247 61.300 -0.266 0.000 1.373 30 I CB -0.908 37.031 38.000 -0.103 0.000 1.055 30 I HN 0.379 nan 8.210 nan 0.000 0.418 31 A N -0.055 122.643 122.820 -0.203 0.000 1.948 31 A HA -0.250 4.070 4.320 0.001 0.000 0.220 31 A C 2.116 179.692 177.584 -0.013 0.000 1.177 31 A CA 2.410 54.416 52.037 -0.051 0.000 0.636 31 A CB -1.070 17.967 19.000 0.061 0.000 0.815 31 A HN 0.737 nan 8.150 nan 0.000 0.449 32 Y N -1.395 118.916 120.300 0.018 0.000 2.581 32 Y HA 0.222 4.772 4.550 0.001 0.000 0.271 32 Y C 1.282 177.206 175.900 0.041 0.000 1.100 32 Y CA 0.017 58.141 58.100 0.040 0.000 1.281 32 Y CB -0.439 38.097 38.460 0.128 0.000 1.237 32 Y HN 0.294 nan 8.280 nan 0.000 0.514 33 D N 0.883 121.094 120.400 -0.315 0.000 2.378 33 D HA -0.133 4.507 4.640 0.001 0.000 0.227 33 D C 1.226 177.358 176.300 -0.280 0.000 1.012 33 D CA 0.540 54.455 54.000 -0.142 0.000 0.905 33 D CB -0.271 40.377 40.800 -0.252 0.000 0.895 33 D HN 0.567 nan 8.370 nan 0.000 0.532 34 Q N -0.176 119.432 119.800 -0.321 0.000 2.224 34 Q HA -0.040 4.301 4.340 0.001 0.000 0.203 34 Q C 2.066 177.708 176.000 -0.597 0.000 0.970 34 Q CA 0.612 56.124 55.803 -0.484 0.000 0.865 34 Q CB -0.081 28.467 28.738 -0.317 0.000 0.922 34 Q HN 0.263 nan 8.270 nan 0.000 0.445 35 R N 0.608 120.823 120.500 -0.474 0.000 2.241 35 R HA -0.094 4.246 4.340 0.001 0.000 0.224 35 R C 1.158 177.171 176.300 -0.478 0.000 1.101 35 R CA 0.691 56.463 56.100 -0.547 0.000 0.995 35 R CB 0.023 29.787 30.300 -0.894 0.000 0.870 35 R HN 0.283 nan 8.270 nan 0.000 0.463 36 L N 0.798 121.777 121.223 -0.406 0.000 2.629 36 L HA 0.034 4.374 4.340 0.001 0.000 0.230 36 L C 2.058 178.721 176.870 -0.346 0.000 1.151 36 L CA 0.066 54.749 54.840 -0.262 0.000 0.924 36 L CB 0.051 42.029 42.059 -0.135 0.000 1.137 36 L HN 0.211 nan 8.230 nan 0.000 0.457 37 S N 0.319 115.639 115.700 -0.634 0.000 2.359 37 S HA -0.291 4.180 4.470 0.001 0.000 0.222 37 S C 1.850 176.149 174.600 -0.502 0.000 1.038 37 S CA 1.688 59.332 58.200 -0.928 0.000 1.051 37 S CB -0.231 61.709 63.200 -2.100 0.000 0.944 37 S HN 0.453 nan 8.310 nan 0.000 0.433 38 E N 1.709 121.707 120.200 -0.337 0.000 2.047 38 E HA -0.108 4.243 4.350 0.001 0.000 0.191 38 E C 2.137 178.706 176.600 -0.052 0.000 0.987 38 E CA 1.777 58.103 56.400 -0.124 0.000 0.799 38 E CB -0.725 28.939 29.700 -0.061 0.000 0.752 38 E HN 0.611 nan 8.360 nan 0.000 0.449 39 V N -0.716 119.180 119.914 -0.030 0.000 2.626 39 V HA -0.148 3.972 4.120 0.001 0.000 0.252 39 V C 2.070 178.183 176.094 0.032 0.000 1.067 39 V CA 2.134 64.451 62.300 0.028 0.000 1.081 39 V CB -0.829 31.048 31.823 0.090 0.000 0.686 39 V HN 0.163 nan 8.190 nan 0.000 0.468 40 D N 0.528 120.922 120.400 -0.010 0.000 2.097 40 D HA -0.155 4.486 4.640 0.001 0.000 0.195 40 D C 2.010 178.335 176.300 0.042 0.000 0.989 40 D CA 1.672 55.686 54.000 0.023 0.000 0.827 40 D CB -0.115 40.668 40.800 -0.028 0.000 0.966 40 D HN 0.343 nan 8.370 nan 0.000 0.456 41 I N 0.720 121.304 120.570 0.023 0.000 2.226 41 I HA -0.203 3.968 4.170 0.001 0.000 0.245 41 I C 2.230 178.389 176.117 0.070 0.000 1.100 41 I CA 1.117 62.455 61.300 0.064 0.000 1.374 41 I CB -1.151 36.895 38.000 0.076 0.000 1.057 41 I HN 0.242 nan 8.210 nan 0.000 0.413 42 Q N 0.545 120.379 119.800 0.057 0.000 2.084 42 Q HA -0.120 4.220 4.340 0.001 0.000 0.202 42 Q C 2.361 178.412 176.000 0.085 0.000 0.978 42 Q CA 1.744 57.585 55.803 0.062 0.000 0.844 42 Q CB -0.975 27.790 28.738 0.045 0.000 0.898 42 Q HN 0.572 nan 8.270 nan 0.000 0.426 43 G N 0.008 108.864 108.800 0.093 0.000 2.432 43 G HA2 -0.210 3.751 3.960 0.001 0.000 0.219 43 G HA3 -0.210 3.751 3.960 0.001 0.000 0.219 43 G C 1.664 176.640 174.900 0.127 0.000 1.135 43 G CA 0.998 46.164 45.100 0.111 0.000 0.767 43 G HN 0.326 nan 8.290 nan 0.000 0.550 44 S N 0.179 115.949 115.700 0.116 0.000 2.387 44 S HA 0.008 4.479 4.470 0.001 0.000 0.226 44 S C 2.395 177.089 174.600 0.157 0.000 1.026 44 S CA 1.011 59.300 58.200 0.147 0.000 0.972 44 S CB -0.198 63.075 63.200 0.122 0.000 0.814 44 S HN 0.355 nan 8.310 nan 0.000 0.477 45 M N 1.124 120.794 119.600 0.117 0.000 2.086 45 M HA -0.097 4.384 4.480 0.001 0.000 0.261 45 M C 2.504 178.860 176.300 0.094 0.000 1.067 45 M CA 1.498 56.854 55.300 0.094 0.000 1.116 45 M CB -0.556 32.088 32.600 0.073 0.000 1.348 45 M HN 0.387 nan 8.290 nan 0.000 0.407 46 A N -0.528 122.357 122.820 0.108 0.000 1.877 46 A HA -0.229 4.091 4.320 0.001 0.000 0.216 46 A C 2.015 179.671 177.584 0.119 0.000 1.186 46 A CA 1.568 53.667 52.037 0.104 0.000 0.620 46 A CB -1.113 17.960 19.000 0.121 0.000 0.822 46 A HN 0.556 nan 8.150 nan 0.000 0.443 47 Y N 0.483 120.803 120.300 0.033 0.000 2.200 47 Y HA -0.046 4.505 4.550 0.001 0.000 0.290 47 Y C 2.701 178.614 175.900 0.021 0.000 1.137 47 Y CA 0.949 59.062 58.100 0.022 0.000 1.163 47 Y CB -0.530 37.945 38.460 0.025 0.000 0.988 47 Y HN 0.321 nan 8.280 nan 0.000 0.518 48 A N 0.355 123.229 122.820 0.091 0.000 1.883 48 A HA -0.239 4.082 4.320 0.001 0.000 0.217 48 A C 2.209 179.762 177.584 -0.051 0.000 1.186 48 A CA 2.130 54.178 52.037 0.018 0.000 0.624 48 A CB -0.574 18.468 19.000 0.069 0.000 0.822 48 A HN 0.509 nan 8.150 nan 0.000 0.444 49 K N -0.380 120.005 120.400 -0.026 0.000 2.147 49 K HA -0.021 4.299 4.320 0.001 0.000 0.205 49 K C 2.159 178.712 176.600 -0.078 0.000 1.049 49 K CA 1.012 57.278 56.287 -0.035 0.000 0.936 49 K CB -0.266 32.229 32.500 -0.007 0.000 0.722 49 K HN 0.461 nan 8.250 nan 0.000 0.446 50 A N 1.196 123.936 122.820 -0.134 0.000 1.970 50 A HA -0.027 4.293 4.320 0.001 0.000 0.216 50 A C 2.038 179.484 177.584 -0.230 0.000 1.170 50 A CA 0.801 52.731 52.037 -0.177 0.000 0.645 50 A CB -0.380 18.490 19.000 -0.216 0.000 0.816 50 A HN 0.126 nan 8.150 nan 0.000 0.447 51 L N -0.601 120.439 121.223 -0.305 0.000 2.141 51 L HA -0.146 4.194 4.340 0.001 0.000 0.209 51 L C 2.711 179.505 176.870 -0.128 0.000 1.094 51 L CA 1.454 56.144 54.840 -0.250 0.000 0.763 51 L CB -0.347 41.571 42.059 -0.234 0.000 0.908 51 L HN 0.472 nan 8.230 nan 0.000 0.437 52 E N 1.040 121.183 120.200 -0.096 0.000 2.072 52 E HA -0.252 4.098 4.350 0.001 0.000 0.190 52 E C 2.075 178.643 176.600 -0.054 0.000 0.982 52 E CA 1.175 57.541 56.400 -0.057 0.000 0.803 52 E CB 0.111 29.788 29.700 -0.038 0.000 0.755 52 E HN 0.350 nan 8.360 nan 0.000 0.453 53 K N -0.033 120.330 120.400 -0.063 0.000 2.209 53 K HA -0.050 4.270 4.320 0.001 0.000 0.204 53 K C 1.680 178.248 176.600 -0.054 0.000 1.048 53 K CA 1.073 57.329 56.287 -0.051 0.000 0.940 53 K CB -0.063 32.406 32.500 -0.052 0.000 0.729 53 K HN 0.070 nan 8.250 nan 0.000 0.451 54 A N -0.084 122.693 122.820 -0.072 0.000 2.218 54 A HA 0.223 4.544 4.320 0.001 0.000 0.209 54 A C 1.351 178.905 177.584 -0.050 0.000 1.168 54 A CA 0.744 52.742 52.037 -0.065 0.000 0.804 54 A CB -0.197 18.749 19.000 -0.089 0.000 0.834 54 A HN 0.523 nan 8.150 nan 0.000 0.482 55 G N -0.529 108.243 108.800 -0.046 0.000 2.157 55 G HA2 -0.246 3.715 3.960 0.001 0.000 0.248 55 G HA3 -0.246 3.715 3.960 0.001 0.000 0.248 55 G C 0.761 175.643 174.900 -0.031 0.000 0.979 55 G CA 0.398 45.478 45.100 -0.033 0.000 0.650 55 G HN 0.331 nan 8.290 nan 0.000 0.529 56 I N -0.009 120.537 120.570 -0.042 0.000 2.546 56 I HA 0.202 4.372 4.170 0.001 0.000 0.255 56 I C 1.487 177.591 176.117 -0.021 0.000 1.163 56 I CA 1.210 62.491 61.300 -0.032 0.000 1.457 56 I CB -0.644 37.329 38.000 -0.045 0.000 1.092 56 I HN 0.228 nan 8.210 nan 0.000 0.434 57 L N 0.042 121.249 121.223 -0.027 0.000 2.341 57 L HA 0.342 4.682 4.340 0.001 0.000 0.267 57 L C 0.511 177.373 176.870 -0.014 0.000 1.009 57 L CA -0.622 54.209 54.840 -0.015 0.000 0.819 57 L CB 2.001 44.051 42.059 -0.015 0.000 1.323 57 L HN 0.030 nan 8.230 nan 0.000 0.425 58 T N -2.404 112.146 114.554 -0.006 0.000 2.847 58 T HA 0.370 4.721 4.350 0.001 0.000 0.279 58 T C 1.039 175.736 174.700 -0.004 0.000 0.984 58 T CA 0.066 62.163 62.100 -0.005 0.000 0.988 58 T CB 1.505 70.372 68.868 -0.002 0.000 1.040 58 T HN 0.676 nan 8.240 nan 0.000 0.528 59 K N 0.523 120.920 120.400 -0.004 0.000 2.026 59 K HA -0.072 4.248 4.320 0.001 0.000 0.208 59 K C 2.488 179.090 176.600 0.002 0.000 1.048 59 K CA 2.394 58.680 56.287 -0.002 0.000 0.929 59 K CB -1.956 30.543 32.500 -0.002 0.000 0.713 59 K HN 0.784 nan 8.250 nan 0.000 0.439 60 T N 0.821 115.377 114.554 0.003 0.000 2.708 60 T HA -0.132 4.218 4.350 0.001 0.000 0.266 60 T C 1.894 176.599 174.700 0.008 0.000 1.037 60 T CA 1.485 63.588 62.100 0.006 0.000 1.146 60 T CB -0.242 68.629 68.868 0.005 0.000 0.865 60 T HN 0.676 nan 8.240 nan 0.000 0.435 61 E N 0.510 120.715 120.200 0.008 0.000 2.097 61 E HA -0.159 4.192 4.350 0.001 0.000 0.196 61 E C 2.144 178.754 176.600 0.015 0.000 1.000 61 E CA 0.994 57.401 56.400 0.012 0.000 0.804 61 E CB -0.295 29.411 29.700 0.011 0.000 0.740 61 E HN 0.219 nan 8.360 nan 0.000 0.454 62 L N 1.706 122.936 121.223 0.011 0.000 2.012 62 L HA -0.214 4.126 4.340 0.001 0.000 0.210 62 L C 1.890 178.771 176.870 0.018 0.000 1.073 62 L CA 1.882 56.730 54.840 0.013 0.000 0.748 62 L CB -0.371 41.690 42.059 0.004 0.000 0.891 62 L HN 0.060 nan 8.230 nan 0.000 0.431 63 E N -0.365 119.844 120.200 0.015 0.000 2.070 63 E HA -0.281 4.070 4.350 0.001 0.000 0.197 63 E C 2.145 178.758 176.600 0.021 0.000 1.004 63 E CA 1.782 58.192 56.400 0.016 0.000 0.805 63 E CB -0.200 29.507 29.700 0.013 0.000 0.744 63 E HN 0.536 nan 8.360 nan 0.000 0.451 64 K N 0.506 120.918 120.400 0.020 0.000 2.026 64 K HA -0.140 4.180 4.320 0.001 0.000 0.208 64 K C 2.239 178.857 176.600 0.031 0.000 1.048 64 K CA 1.175 57.476 56.287 0.023 0.000 0.929 64 K CB -0.199 32.313 32.500 0.020 0.000 0.713 64 K HN 0.126 nan 8.250 nan 0.000 0.439 65 I N 1.270 121.861 120.570 0.035 0.000 2.179 65 I HA -0.301 3.869 4.170 0.001 0.000 0.242 65 I C 2.249 178.398 176.117 0.052 0.000 1.088 65 I CA 1.268 62.596 61.300 0.047 0.000 1.357 65 I CB -0.261 37.770 38.000 0.052 0.000 1.051 65 I HN 0.134 nan 8.210 nan 0.000 0.409 66 L N -0.374 120.876 121.223 0.045 0.000 2.046 66 L HA -0.219 4.121 4.340 0.001 0.000 0.208 66 L C 2.720 179.618 176.870 0.046 0.000 1.077 66 L CA 1.423 56.291 54.840 0.047 0.000 0.747 66 L CB -0.647 41.435 42.059 0.038 0.000 0.896 66 L HN 0.254 nan 8.230 nan 0.000 0.432 67 S N 0.070 115.793 115.700 0.038 0.000 2.383 67 S HA -0.113 4.357 4.470 0.001 0.000 0.227 67 S C 1.966 176.591 174.600 0.042 0.000 1.026 67 S CA 1.328 59.550 58.200 0.035 0.000 0.981 67 S CB -0.309 62.907 63.200 0.027 0.000 0.818 67 S HN 0.515 nan 8.310 nan 0.000 0.472 68 G N 1.055 109.882 108.800 0.045 0.000 2.421 68 G HA2 -0.003 3.957 3.960 0.001 0.000 0.217 68 G HA3 -0.003 3.957 3.960 0.001 0.000 0.217 68 G C 1.393 176.335 174.900 0.071 0.000 1.143 68 G CA 0.526 45.657 45.100 0.051 0.000 0.784 68 G HN 0.512 nan 8.290 nan 0.000 0.541 69 L N 0.446 121.716 121.223 0.077 0.000 2.156 69 L HA 0.068 4.408 4.340 0.001 0.000 0.208 69 L C 3.382 180.311 176.870 0.099 0.000 1.095 69 L CA 1.353 56.251 54.840 0.097 0.000 0.770 69 L CB -0.521 41.593 42.059 0.091 0.000 0.914 69 L HN 0.413 nan 8.230 nan 0.000 0.439 70 E N 0.959 121.206 120.200 0.077 0.000 2.153 70 E HA -0.244 4.106 4.350 0.001 0.000 0.194 70 E C 2.092 178.740 176.600 0.080 0.000 0.988 70 E CA 1.476 57.920 56.400 0.073 0.000 0.811 70 E CB -0.468 29.265 29.700 0.054 0.000 0.746 70 E HN 0.519 nan 8.360 nan 0.000 0.466 71 K N -0.323 120.120 120.400 0.073 0.000 2.097 71 K HA -0.014 4.307 4.320 0.001 0.000 0.205 71 K C 2.190 178.847 176.600 0.095 0.000 1.050 71 K CA 1.190 57.516 56.287 0.065 0.000 0.938 71 K CB -0.163 32.362 32.500 0.042 0.000 0.718 71 K HN 0.295 nan 8.250 nan 0.000 0.442 72 I N 1.010 121.662 120.570 0.137 0.000 2.179 72 I HA -0.256 3.914 4.170 0.001 0.000 0.242 72 I C 2.549 178.835 176.117 0.281 0.000 1.088 72 I CA 1.271 62.703 61.300 0.220 0.000 1.357 72 I CB -1.528 36.640 38.000 0.280 0.000 1.051 72 I HN 0.138 nan 8.210 nan 0.000 0.409 73 S N 0.591 116.435 115.700 0.240 0.000 2.372 73 S HA -0.231 4.240 4.470 0.001 0.000 0.227 73 S C 1.918 176.643 174.600 0.209 0.000 1.044 73 S CA 1.687 60.023 58.200 0.226 0.000 1.050 73 S CB -0.108 63.173 63.200 0.136 0.000 0.901 73 S HN 0.400 nan 8.310 nan 0.000 0.447 74 E N 0.953 121.240 120.200 0.145 0.000 2.051 74 E HA -0.119 4.232 4.350 0.001 0.000 0.192 74 E C 2.181 178.853 176.600 0.120 0.000 0.991 74 E CA 1.152 57.619 56.400 0.111 0.000 0.799 74 E CB -0.559 29.183 29.700 0.071 0.000 0.748 74 E HN 0.712 nan 8.360 nan 0.000 0.449 75 E N -0.270 119.994 120.200 0.107 0.000 2.097 75 E HA -0.199 4.151 4.350 0.001 0.000 0.196 75 E C 2.021 178.685 176.600 0.107 0.000 1.000 75 E CA 1.074 57.508 56.400 0.057 0.000 0.804 75 E CB -0.239 29.462 29.700 0.002 0.000 0.740 75 E HN 0.375 nan 8.360 nan 0.000 0.454 76 W N 0.453 121.839 121.300 0.143 0.000 2.407 76 W HA -0.135 4.525 4.660 0.001 0.000 0.305 76 W C 2.977 179.518 176.519 0.036 0.000 1.196 76 W CA 0.896 58.277 57.345 0.059 0.000 1.311 76 W CB -0.311 29.114 29.460 -0.057 0.000 1.135 76 W HN -0.002 nan 8.180 nan 0.000 0.514 77 S N 0.701 116.575 115.700 0.289 0.000 2.383 77 S HA -0.202 4.268 4.470 0.001 0.000 0.229 77 S C 1.563 176.238 174.600 0.126 0.000 1.030 77 S CA 1.554 59.854 58.200 0.166 0.000 1.002 77 S CB -0.231 63.042 63.200 0.123 0.000 0.829 77 S HN 0.230 nan 8.310 nan 0.000 0.467 78 K N -0.129 120.339 120.400 0.114 0.000 2.444 78 K HA 0.241 4.561 4.320 0.001 0.000 0.193 78 K C 1.141 177.787 176.600 0.078 0.000 1.024 78 K CA 0.462 56.794 56.287 0.076 0.000 1.077 78 K CB -0.022 32.508 32.500 0.051 0.000 0.833 78 K HN 0.469 nan 8.250 nan 0.000 0.517 79 G N 1.447 110.317 108.800 0.117 0.000 2.176 79 G HA2 -0.239 3.721 3.960 0.001 0.000 0.252 79 G HA3 -0.239 3.721 3.960 0.001 0.000 0.252 79 G C 0.480 175.417 174.900 0.062 0.000 1.024 79 G CA 0.388 45.558 45.100 0.116 0.000 0.755 79 G HN 0.298 nan 8.290 nan 0.000 0.507 80 V N -0.382 119.549 119.914 0.029 0.000 3.621 80 V HA 0.573 4.693 4.120 0.001 0.000 0.285 80 V C 1.057 177.078 176.094 -0.121 0.000 1.346 80 V CA 0.039 62.317 62.300 -0.036 0.000 1.104 80 V CB -0.372 31.427 31.823 -0.040 0.000 0.913 80 V HN 0.494 nan 8.190 nan 0.000 0.432 81 F N 1.309 121.054 119.950 -0.342 0.000 2.578 81 F HA 0.317 4.845 4.527 0.001 0.000 0.376 81 F C 0.156 175.681 175.800 -0.459 0.000 1.085 81 F CA 0.507 58.136 58.000 -0.618 0.000 1.260 81 F CB 0.913 39.015 39.000 -1.496 0.000 1.095 81 F HN -0.126 nan 8.300 nan 0.000 0.573 82 V N 7.782 127.216 119.914 -0.800 0.000 2.333 82 V HA 0.203 4.324 4.120 0.001 0.000 0.274 82 V C -0.219 175.685 176.094 -0.317 0.000 1.028 82 V CA -0.754 61.295 62.300 -0.417 0.000 0.851 82 V CB 1.013 32.623 31.823 -0.356 0.000 1.000 82 V HN 0.544 nan 8.190 nan 0.000 0.456 83 V N 6.350 126.272 119.914 0.013 0.000 2.649 83 V HA 0.363 4.484 4.120 0.001 0.000 0.292 83 V C 0.399 176.515 176.094 0.037 0.000 1.055 83 V CA -0.585 61.803 62.300 0.146 0.000 1.023 83 V CB 1.326 33.265 31.823 0.194 0.000 0.992 83 V HN 0.706 nan 8.190 nan 0.000 0.480 84 K N 3.007 123.434 120.400 0.045 0.000 2.156 84 K HA 0.494 4.815 4.320 0.001 0.000 0.250 84 K C 1.117 177.731 176.600 0.024 0.000 0.955 84 K CA -0.224 56.069 56.287 0.010 0.000 0.855 84 K CB 1.470 33.967 32.500 -0.006 0.000 1.101 84 K HN 0.664 nan 8.250 nan 0.000 0.434 85 Q N 0.617 120.424 119.800 0.011 0.000 2.234 85 Q HA -0.158 4.183 4.340 0.001 0.000 0.206 85 Q C 1.795 177.804 176.000 0.015 0.000 0.980 85 Q CA 2.514 58.325 55.803 0.013 0.000 0.869 85 Q CB -0.825 27.918 28.738 0.007 0.000 0.912 85 Q HN 0.753 nan 8.270 nan 0.000 0.436 86 S N 0.048 115.756 115.700 0.014 0.000 2.453 86 S HA -0.031 4.439 4.470 0.001 0.000 0.231 86 S C 0.257 174.870 174.600 0.021 0.000 1.005 86 S CA 0.318 58.526 58.200 0.015 0.000 0.949 86 S CB -0.111 63.096 63.200 0.011 0.000 0.774 86 S HN 0.610 nan 8.310 nan 0.000 0.510 87 D N 2.434 122.854 120.400 0.033 0.000 2.363 87 D HA 0.393 5.034 4.640 0.001 0.000 0.263 87 D C 1.247 177.556 176.300 0.016 0.000 1.258 87 D CA 0.752 54.776 54.000 0.040 0.000 0.907 87 D CB 0.966 41.815 40.800 0.082 0.000 1.107 87 D HN 0.642 nan 8.370 nan 0.000 0.495 88 E N 2.839 123.042 120.200 0.005 0.000 2.086 88 E HA -0.020 4.330 4.350 0.001 0.000 0.190 88 E C 0.596 177.168 176.600 -0.047 0.000 0.975 88 E CA 0.941 57.335 56.400 -0.009 0.000 0.813 88 E CB -0.342 29.361 29.700 0.006 0.000 0.768 88 E HN 0.690 nan 8.360 nan 0.000 0.457 89 D N -3.061 117.303 120.400 -0.061 0.000 2.652 89 D HA 0.350 4.991 4.640 0.001 0.000 0.285 89 D C 0.506 176.684 176.300 -0.203 0.000 1.173 89 D CA -0.578 53.328 54.000 -0.156 0.000 0.981 89 D CB 0.526 41.253 40.800 -0.122 0.000 1.440 89 D HN 0.000 nan 8.370 nan 0.000 0.485 90 I N 0.097 120.430 120.570 -0.394 0.000 2.493 90 I HA -0.187 3.983 4.170 0.001 0.000 0.254 90 I C 1.554 177.497 176.117 -0.289 0.000 1.160 90 I CA 1.582 62.665 61.300 -0.362 0.000 1.445 90 I CB -0.405 37.301 38.000 -0.490 0.000 1.086 90 I HN 0.361 nan 8.210 nan 0.000 0.433 91 H N -0.353 118.679 119.070 -0.064 0.000 2.293 91 H HA -0.078 4.478 4.556 0.001 0.000 0.300 91 H C 2.185 177.480 175.328 -0.055 0.000 1.082 91 H CA 1.999 58.006 56.048 -0.068 0.000 1.308 91 H CB -1.307 28.398 29.762 -0.094 0.000 1.375 91 H HN 0.277 nan 8.280 nan 0.000 0.495 92 T N 1.372 115.956 114.554 0.050 0.000 2.746 92 T HA -0.079 4.272 4.350 0.001 0.000 0.267 92 T C 2.347 177.084 174.700 0.061 0.000 1.039 92 T CA 1.303 63.419 62.100 0.026 0.000 1.142 92 T CB -0.428 68.450 68.868 0.017 0.000 0.866 92 T HN 0.472 nan 8.240 nan 0.000 0.444 93 A N 2.408 125.277 122.820 0.080 0.000 1.877 93 A HA -0.166 4.154 4.320 0.001 0.000 0.216 93 A C 2.273 180.019 177.584 0.269 0.000 1.186 93 A CA 1.568 53.720 52.037 0.193 0.000 0.620 93 A CB -0.633 18.502 19.000 0.224 0.000 0.822 93 A HN 0.375 nan 8.150 nan 0.000 0.443 94 N N -0.168 118.645 118.700 0.189 0.000 2.244 94 N HA -0.110 4.630 4.740 0.001 0.000 0.183 94 N C 1.628 177.238 175.510 0.167 0.000 1.016 94 N CA 1.421 54.602 53.050 0.218 0.000 0.866 94 N CB -0.340 38.240 38.487 0.155 0.000 0.980 94 N HN 0.675 nan 8.380 nan 0.000 0.430 95 E N 0.415 120.677 120.200 0.103 0.000 2.152 95 E HA -0.091 4.259 4.350 0.001 0.000 0.192 95 E C 2.010 178.652 176.600 0.069 0.000 0.983 95 E CA 0.334 56.773 56.400 0.064 0.000 0.818 95 E CB 0.103 29.803 29.700 0.001 0.000 0.758 95 E HN 0.277 nan 8.360 nan 0.000 0.467 96 R N 1.088 121.637 120.500 0.082 0.000 2.070 96 R HA -0.172 4.168 4.340 0.001 0.000 0.233 96 R C 2.367 178.701 176.300 0.057 0.000 1.137 96 R CA 1.516 57.653 56.100 0.061 0.000 0.945 96 R CB -0.038 30.302 30.300 0.066 0.000 0.845 96 R HN -0.098 nan 8.270 nan 0.000 0.430 97 R N 0.836 121.400 120.500 0.106 0.000 2.091 97 R HA -0.126 4.214 4.340 0.001 0.000 0.238 97 R C 2.172 178.506 176.300 0.057 0.000 1.136 97 R CA 1.451 57.586 56.100 0.060 0.000 0.959 97 R CB -0.994 29.412 30.300 0.176 0.000 0.856 97 R HN 0.350 nan 8.270 nan 0.000 0.437 98 L N 1.097 122.376 121.223 0.092 0.000 2.012 98 L HA -0.139 4.201 4.340 0.001 0.000 0.210 98 L C 2.218 179.114 176.870 0.044 0.000 1.073 98 L CA 2.139 57.023 54.840 0.073 0.000 0.748 98 L CB -0.653 41.456 42.059 0.084 0.000 0.891 98 L HN 0.256 nan 8.230 nan 0.000 0.431 99 K N -0.561 119.863 120.400 0.039 0.000 2.103 99 K HA -0.218 4.102 4.320 0.001 0.000 0.207 99 K C 1.899 178.504 176.600 0.009 0.000 1.048 99 K CA 1.819 58.121 56.287 0.025 0.000 0.930 99 K CB -0.121 32.392 32.500 0.023 0.000 0.716 99 K HN 0.512 nan 8.250 nan 0.000 0.444 100 E N 0.251 120.450 120.200 -0.001 0.000 2.150 100 E HA -0.134 4.216 4.350 0.001 0.000 0.193 100 E C 1.924 178.511 176.600 -0.021 0.000 0.985 100 E CA 0.873 57.260 56.400 -0.022 0.000 0.814 100 E CB 0.094 29.763 29.700 -0.051 0.000 0.752 100 E HN 0.329 nan 8.360 nan 0.000 0.466 101 L N 0.197 121.414 121.223 -0.010 0.000 2.307 101 L HA 0.079 4.420 4.340 0.001 0.000 0.211 101 L C 2.166 179.038 176.870 0.004 0.000 1.099 101 L CA 0.537 55.373 54.840 -0.006 0.000 0.816 101 L CB 0.162 42.222 42.059 0.003 0.000 0.952 101 L HN 0.201 nan 8.230 nan 0.000 0.455 102 I N -4.624 115.953 120.570 0.012 0.000 4.338 102 I HA 0.548 4.718 4.170 0.001 0.000 0.329 102 I C 0.784 176.909 176.117 0.014 0.000 1.378 102 I CA -0.015 61.294 61.300 0.015 0.000 1.170 102 I CB 0.509 38.523 38.000 0.023 0.000 1.206 102 I HN 0.099 nan 8.210 nan 0.000 0.432 103 G N 2.060 110.867 108.800 0.012 0.000 2.660 103 G HA2 -0.245 3.716 3.960 0.001 0.000 0.215 103 G HA3 -0.245 3.716 3.960 0.001 0.000 0.215 103 G C -0.134 174.776 174.900 0.017 0.000 1.345 103 G CA 0.161 45.268 45.100 0.011 0.000 0.877 103 G HN 0.221 nan 8.290 nan 0.000 0.549 104 D N -0.285 120.125 120.400 0.016 0.000 2.311 104 D HA -0.091 4.550 4.640 0.001 0.000 0.212 104 D C 2.267 178.582 176.300 0.025 0.000 0.972 104 D CA 1.042 55.053 54.000 0.020 0.000 0.887 104 D CB 0.036 40.846 40.800 0.016 0.000 0.915 104 D HN 0.471 nan 8.370 nan 0.000 0.497 105 I N 0.480 121.065 120.570 0.025 0.000 2.614 105 I HA -0.202 3.969 4.170 0.001 0.000 0.258 105 I C 1.922 178.063 176.117 0.040 0.000 1.189 105 I CA 0.542 61.860 61.300 0.029 0.000 1.462 105 I CB 0.119 38.134 38.000 0.025 0.000 1.092 105 I HN -0.136 nan 8.210 nan 0.000 0.442 106 A N 0.549 123.393 122.820 0.041 0.000 2.125 106 A HA -0.070 4.250 4.320 0.001 0.000 0.219 106 A C 2.217 179.839 177.584 0.064 0.000 1.156 106 A CA 1.310 53.379 52.037 0.053 0.000 0.671 106 A CB -1.168 17.861 19.000 0.049 0.000 0.794 106 A HN 0.527 nan 8.150 nan 0.000 0.459 107 G N -0.382 108.452 108.800 0.056 0.000 2.534 107 G HA2 -0.111 3.849 3.960 0.001 0.000 0.217 107 G HA3 -0.111 3.849 3.960 0.001 0.000 0.217 107 G C 1.462 176.412 174.900 0.084 0.000 1.128 107 G CA 0.687 45.826 45.100 0.066 0.000 0.784 107 G HN 0.598 nan 8.290 nan 0.000 0.542 108 K N -0.411 120.034 120.400 0.076 0.000 2.418 108 K HA 0.158 4.479 4.320 0.001 0.000 0.195 108 K C 2.093 178.763 176.600 0.115 0.000 1.035 108 K CA -0.074 56.260 56.287 0.079 0.000 1.003 108 K CB 0.015 32.546 32.500 0.051 0.000 0.793 108 K HN 0.256 nan 8.250 nan 0.000 0.494 109 L N 0.793 122.098 121.223 0.138 0.000 2.083 109 L HA -0.173 4.167 4.340 0.001 0.000 0.209 109 L C 1.923 178.971 176.870 0.296 0.000 1.083 109 L CA 1.965 56.923 54.840 0.197 0.000 0.752 109 L CB -0.462 41.699 42.059 0.169 0.000 0.899 109 L HN 0.188 nan 8.230 nan 0.000 0.433 110 H N -0.838 118.296 119.070 0.107 0.000 2.547 110 H HA 0.155 4.712 4.556 0.001 0.000 0.266 110 H C 0.014 175.395 175.328 0.089 0.000 0.988 110 H CA 0.131 56.213 56.048 0.057 0.000 1.147 110 H CB -0.612 29.155 29.762 0.007 0.000 1.365 110 H HN 0.254 nan 8.280 nan 0.000 0.589 111 T N 0.343 114.973 114.554 0.128 0.000 2.822 111 T HA 0.227 4.577 4.350 0.001 0.000 0.288 111 T C 1.373 176.126 174.700 0.089 0.000 0.991 111 T CA 0.944 63.086 62.100 0.069 0.000 1.176 111 T CB 0.013 68.925 68.868 0.074 0.000 0.951 111 T HN 0.657 nan 8.240 nan 0.000 0.526 112 G N 2.973 111.761 108.800 -0.020 0.000 2.184 112 G HA2 -0.285 3.676 3.960 0.001 0.000 0.264 112 G HA3 -0.285 3.676 3.960 0.001 0.000 0.264 112 G C 0.238 175.085 174.900 -0.088 0.000 0.975 112 G CA 0.492 45.592 45.100 -0.001 0.000 0.642 112 G HN 0.821 nan 8.290 nan 0.000 0.536 113 R N 0.127 120.424 120.500 -0.339 0.000 2.720 113 R HA 0.709 5.049 4.340 0.001 0.000 0.272 113 R C -0.115 175.779 176.300 -0.677 0.000 0.991 113 R CA 0.218 55.963 56.100 -0.592 0.000 1.010 113 R CB 1.435 31.194 30.300 -0.902 0.000 1.141 113 R HN 0.362 nan 8.270 nan 0.000 0.494 114 S N 0.248 115.719 115.700 -0.383 0.000 2.599 114 S HA 0.359 4.830 4.470 0.001 0.000 0.287 114 S C 0.441 174.978 174.600 -0.106 0.000 1.105 114 S CA -0.869 57.215 58.200 -0.192 0.000 0.899 114 S CB 1.669 64.762 63.200 -0.179 0.000 1.100 114 S HN 0.663 nan 8.310 nan 0.000 0.482 115 R N 1.953 122.391 120.500 -0.102 0.000 2.189 115 R HA 0.012 4.352 4.340 0.001 0.000 0.223 115 R C 1.257 177.360 176.300 -0.328 0.000 1.092 115 R CA 0.974 56.908 56.100 -0.277 0.000 0.989 115 R CB -1.278 28.870 30.300 -0.253 0.000 0.876 115 R HN 0.610 nan 8.270 nan 0.000 0.457 116 N N 1.483 119.997 118.700 -0.309 0.000 2.058 116 N HA -0.159 4.581 4.740 0.001 0.000 0.191 116 N C 1.241 176.653 175.510 -0.163 0.000 1.037 116 N CA 1.846 54.718 53.050 -0.295 0.000 0.848 116 N CB -0.446 37.868 38.487 -0.288 0.000 1.021 116 N HN 0.389 nan 8.380 nan 0.000 0.422 117 D N 0.083 120.387 120.400 -0.162 0.000 2.289 117 D HA -0.107 4.534 4.640 0.001 0.000 0.207 117 D C 1.685 177.894 176.300 -0.153 0.000 0.966 117 D CA 0.562 54.480 54.000 -0.137 0.000 0.868 117 D CB -0.500 40.217 40.800 -0.137 0.000 0.943 117 D HN 0.359 nan 8.370 nan 0.000 0.514 118 Q N 0.393 120.071 119.800 -0.203 0.000 2.046 118 Q HA -0.101 4.240 4.340 0.001 0.000 0.200 118 Q C 2.201 178.104 176.000 -0.162 0.000 0.975 118 Q CA 1.149 56.826 55.803 -0.210 0.000 0.836 118 Q CB -0.001 28.558 28.738 -0.298 0.000 0.896 118 Q HN 0.175 nan 8.270 nan 0.000 0.428 119 V N 0.477 120.264 119.914 -0.211 0.000 2.407 119 V HA -0.185 3.936 4.120 0.001 0.000 0.248 119 V C 2.231 178.374 176.094 0.081 0.000 1.055 119 V CA 1.834 64.128 62.300 -0.010 0.000 1.049 119 V CB -0.133 31.722 31.823 0.052 0.000 0.662 119 V HN 0.523 nan 8.190 nan 0.000 0.455 120 V N -2.732 117.210 119.914 0.048 0.000 2.667 120 V HA -0.132 3.989 4.120 0.001 0.000 0.252 120 V C 2.327 178.414 176.094 -0.011 0.000 1.065 120 V CA 2.257 64.599 62.300 0.070 0.000 1.083 120 V CB -1.576 30.274 31.823 0.045 0.000 0.692 120 V HN 0.526 nan 8.190 nan 0.000 0.468 121 T N 0.710 115.248 114.554 -0.027 0.000 2.777 121 T HA -0.144 4.207 4.350 0.001 0.000 0.266 121 T C 1.623 176.399 174.700 0.125 0.000 1.040 121 T CA 1.982 64.084 62.100 0.002 0.000 1.141 121 T CB -0.446 68.408 68.868 -0.024 0.000 0.868 121 T HN 0.556 nan 8.240 nan 0.000 0.444 122 D N 0.967 121.436 120.400 0.116 0.000 2.084 122 D HA -0.043 4.598 4.640 0.001 0.000 0.194 122 D C 2.026 178.444 176.300 0.197 0.000 0.990 122 D CA 0.607 54.698 54.000 0.152 0.000 0.826 122 D CB -0.571 40.324 40.800 0.159 0.000 0.971 122 D HN 0.129 nan 8.370 nan 0.000 0.453 123 L N 1.300 122.641 121.223 0.197 0.000 2.042 123 L HA -0.155 4.185 4.340 0.001 0.000 0.210 123 L C 1.880 178.916 176.870 0.277 0.000 1.076 123 L CA 1.803 56.800 54.840 0.261 0.000 0.749 123 L CB -0.389 41.846 42.059 0.293 0.000 0.893 123 L HN -0.073 nan 8.230 nan 0.000 0.432 124 K N -0.932 119.556 120.400 0.146 0.000 2.097 124 K HA -0.133 4.187 4.320 0.001 0.000 0.206 124 K C 2.094 178.772 176.600 0.130 0.000 1.049 124 K CA 1.370 57.706 56.287 0.083 0.000 0.933 124 K CB -0.278 32.206 32.500 -0.028 0.000 0.717 124 K HN 0.333 nan 8.250 nan 0.000 0.442 125 L N -0.045 121.279 121.223 0.168 0.000 2.093 125 L HA -0.158 4.183 4.340 0.001 0.000 0.208 125 L C 2.363 179.245 176.870 0.021 0.000 1.085 125 L CA 0.976 55.825 54.840 0.015 0.000 0.755 125 L CB -0.355 41.735 42.059 0.052 0.000 0.904 125 L HN 0.102 nan 8.230 nan 0.000 0.435 126 F N 0.425 120.382 119.950 0.011 0.000 2.102 126 F HA -0.238 4.289 4.527 0.001 0.000 0.298 126 F C 2.441 178.237 175.800 -0.006 0.000 1.105 126 F CA 1.576 59.589 58.000 0.021 0.000 1.239 126 F CB -0.129 38.933 39.000 0.103 0.000 0.991 126 F HN -0.068 nan 8.300 nan 0.000 0.474 127 M N 0.100 119.714 119.600 0.022 0.000 2.175 127 M HA -0.203 4.277 4.480 0.001 0.000 0.264 127 M C 2.333 178.499 176.300 -0.223 0.000 1.063 127 M CA 1.784 56.995 55.300 -0.148 0.000 1.119 127 M CB -0.507 32.079 32.600 -0.024 0.000 1.377 127 M HN 0.114 nan 8.290 nan 0.000 0.415 128 K N 0.539 120.842 120.400 -0.160 0.000 2.057 128 K HA -0.180 4.141 4.320 0.001 0.000 0.207 128 K C 1.589 178.066 176.600 -0.205 0.000 1.049 128 K CA 1.624 57.807 56.287 -0.173 0.000 0.931 128 K CB 0.017 32.399 32.500 -0.197 0.000 0.714 128 K HN 0.240 nan 8.250 nan 0.000 0.440 129 N N 0.393 118.945 118.700 -0.247 0.000 2.120 129 N HA -0.103 4.637 4.740 0.001 0.000 0.188 129 N C 1.796 177.140 175.510 -0.277 0.000 1.024 129 N CA 1.459 54.359 53.050 -0.250 0.000 0.852 129 N CB -0.423 37.903 38.487 -0.268 0.000 1.003 129 N HN 0.098 nan 8.380 nan 0.000 0.424 130 S N 0.541 115.999 115.700 -0.405 0.000 2.383 130 S HA 0.007 4.477 4.470 0.001 0.000 0.227 130 S C 1.756 176.265 174.600 -0.151 0.000 1.026 130 S CA 0.502 58.503 58.200 -0.333 0.000 0.981 130 S CB -0.106 62.805 63.200 -0.481 0.000 0.818 130 S HN 0.118 nan 8.310 nan 0.000 0.472 131 L N 1.382 122.509 121.223 -0.159 0.000 2.201 131 L HA 0.056 4.396 4.340 0.001 0.000 0.212 131 L C 2.510 179.338 176.870 -0.071 0.000 1.105 131 L CA 1.189 55.983 54.840 -0.075 0.000 0.775 131 L CB -1.148 40.846 42.059 -0.107 0.000 0.913 131 L HN 0.295 nan 8.230 nan 0.000 0.440 132 S N -0.627 115.010 115.700 -0.106 0.000 2.383 132 S HA -0.107 4.364 4.470 0.001 0.000 0.227 132 S C 2.022 176.559 174.600 -0.105 0.000 1.026 132 S CA 0.749 58.888 58.200 -0.101 0.000 0.981 132 S CB -0.034 63.098 63.200 -0.114 0.000 0.818 132 S HN 0.225 nan 8.310 nan 0.000 0.472 133 I N 2.340 122.846 120.570 -0.107 0.000 2.202 133 I HA -0.079 4.091 4.170 0.001 0.000 0.242 133 I C 2.206 178.252 176.117 -0.118 0.000 1.091 133 I CA 0.799 62.017 61.300 -0.135 0.000 1.368 133 I CB -1.424 36.541 38.000 -0.058 0.000 1.058 133 I HN 0.311 nan 8.210 nan 0.000 0.410 134 I N 0.420 121.015 120.570 0.041 0.000 2.163 134 I HA -0.273 3.897 4.170 0.001 0.000 0.243 134 I C 2.839 179.021 176.117 0.108 0.000 1.085 134 I CA 1.439 62.840 61.300 0.168 0.000 1.347 134 I CB -1.568 36.596 38.000 0.273 0.000 1.044 134 I HN 0.228 nan 8.210 nan 0.000 0.408 135 S N 0.326 116.046 115.700 0.033 0.000 2.365 135 S HA -0.221 4.249 4.470 0.001 0.000 0.225 135 S C 2.138 176.726 174.600 -0.020 0.000 1.039 135 S CA 2.465 60.671 58.200 0.009 0.000 1.033 135 S CB -0.345 62.834 63.200 -0.035 0.000 0.887 135 S HN 0.517 nan 8.310 nan 0.000 0.447 136 T N 1.498 115.988 114.554 -0.106 0.000 2.684 136 T HA -0.126 4.225 4.350 0.001 0.000 0.267 136 T C 1.654 176.291 174.700 -0.105 0.000 1.036 136 T CA 1.729 63.738 62.100 -0.152 0.000 1.148 136 T CB -0.636 68.067 68.868 -0.275 0.000 0.863 136 T HN 0.545 nan 8.240 nan 0.000 0.436 137 H N 0.434 119.526 119.070 0.037 0.000 2.389 137 H HA 0.152 4.709 4.556 0.001 0.000 0.299 137 H C 2.367 177.720 175.328 0.041 0.000 1.081 137 H CA 0.599 56.670 56.048 0.038 0.000 1.345 137 H CB -0.628 29.162 29.762 0.046 0.000 1.393 137 H HN 0.241 nan 8.280 nan 0.000 0.520 138 L N 0.427 121.751 121.223 0.168 0.000 2.027 138 L HA -0.139 4.202 4.340 0.001 0.000 0.206 138 L C 2.274 179.191 176.870 0.080 0.000 1.074 138 L CA 0.926 55.843 54.840 0.128 0.000 0.745 138 L CB -0.284 41.871 42.059 0.161 0.000 0.898 138 L HN 0.195 nan 8.230 nan 0.000 0.433 139 L N -0.557 120.700 121.223 0.057 0.000 2.083 139 L HA -0.246 4.094 4.340 0.001 0.000 0.209 139 L C 2.571 179.459 176.870 0.030 0.000 1.083 139 L CA 0.995 55.855 54.840 0.032 0.000 0.752 139 L CB -0.409 41.658 42.059 0.013 0.000 0.899 139 L HN 0.357 nan 8.230 nan 0.000 0.433 140 Q N 0.456 120.282 119.800 0.044 0.000 2.124 140 Q HA -0.193 4.147 4.340 0.001 0.000 0.202 140 Q C 2.130 178.151 176.000 0.036 0.000 0.977 140 Q CA 1.575 57.406 55.803 0.046 0.000 0.850 140 Q CB -0.294 28.490 28.738 0.077 0.000 0.901 140 Q HN 0.463 nan 8.270 nan 0.000 0.429 141 L N -0.421 120.826 121.223 0.039 0.000 2.017 141 L HA -0.168 4.173 4.340 0.001 0.000 0.208 141 L C 2.149 179.017 176.870 -0.004 0.000 1.073 141 L CA 1.416 56.262 54.840 0.010 0.000 0.745 141 L CB -0.289 41.776 42.059 0.009 0.000 0.894 141 L HN 0.351 nan 8.230 nan 0.000 0.432 142 I N -0.085 120.487 120.570 0.004 0.000 2.163 142 I HA -0.379 3.792 4.170 0.001 0.000 0.243 142 I C 2.634 178.743 176.117 -0.012 0.000 1.085 142 I CA 1.488 62.782 61.300 -0.010 0.000 1.347 142 I CB -0.402 37.598 38.000 -0.001 0.000 1.044 142 I HN 0.287 nan 8.210 nan 0.000 0.408 143 K N 0.573 120.973 120.400 -0.000 0.000 2.063 143 K HA -0.186 4.134 4.320 0.001 0.000 0.208 143 K C 2.060 178.661 176.600 0.001 0.000 1.048 143 K CA 1.960 58.248 56.287 0.001 0.000 0.928 143 K CB -0.072 32.433 32.500 0.009 0.000 0.713 143 K HN 0.266 nan 8.250 nan 0.000 0.442 144 T N 1.721 116.276 114.554 0.003 0.000 2.777 144 T HA -0.099 4.251 4.350 0.001 0.000 0.266 144 T C 1.809 176.507 174.700 -0.004 0.000 1.040 144 T CA 1.175 63.278 62.100 0.005 0.000 1.141 144 T CB -0.095 68.775 68.868 0.003 0.000 0.868 144 T HN 0.149 nan 8.240 nan 0.000 0.444 145 L N 0.640 121.848 121.223 -0.025 0.000 2.017 145 L HA -0.082 4.258 4.340 0.001 0.000 0.208 145 L C 2.658 179.498 176.870 -0.050 0.000 1.073 145 L CA 0.930 55.739 54.840 -0.050 0.000 0.745 145 L CB -0.584 41.430 42.059 -0.076 0.000 0.894 145 L HN 0.138 nan 8.230 nan 0.000 0.432 146 V N -0.426 119.465 119.914 -0.038 0.000 2.343 146 V HA -0.261 3.859 4.120 0.001 0.000 0.247 146 V C 2.344 178.431 176.094 -0.012 0.000 1.051 146 V CA 1.720 64.001 62.300 -0.032 0.000 1.036 146 V CB -0.475 31.334 31.823 -0.025 0.000 0.654 146 V HN 0.447 nan 8.190 nan 0.000 0.451 147 E N -0.117 120.083 120.200 0.001 0.000 2.072 147 E HA -0.241 4.109 4.350 0.001 0.000 0.191 147 E C 2.434 179.052 176.600 0.029 0.000 0.985 147 E CA 1.185 57.595 56.400 0.016 0.000 0.801 147 E CB -0.162 29.551 29.700 0.022 0.000 0.750 147 E HN 0.438 nan 8.360 nan 0.000 0.452 148 R N 0.611 121.130 120.500 0.032 0.000 2.096 148 R HA -0.111 4.229 4.340 0.001 0.000 0.235 148 R C 2.187 178.523 176.300 0.059 0.000 1.127 148 R CA 1.199 57.338 56.100 0.065 0.000 0.968 148 R CB -0.129 30.221 30.300 0.084 0.000 0.861 148 R HN 0.117 nan 8.270 nan 0.000 0.440 149 A N 0.516 123.335 122.820 -0.001 0.000 1.933 149 A HA -0.085 4.236 4.320 0.001 0.000 0.218 149 A C 2.311 179.910 177.584 0.024 0.000 1.175 149 A CA 1.575 53.599 52.037 -0.021 0.000 0.628 149 A CB -0.706 18.255 19.000 -0.065 0.000 0.814 149 A HN 0.515 nan 8.150 nan 0.000 0.444 150 A N -0.094 122.740 122.820 0.024 0.000 1.898 150 A HA -0.027 4.294 4.320 0.001 0.000 0.216 150 A C 1.971 179.585 177.584 0.050 0.000 1.181 150 A CA 1.583 53.640 52.037 0.032 0.000 0.620 150 A CB -0.416 18.598 19.000 0.024 0.000 0.819 150 A HN 0.398 nan 8.150 nan 0.000 0.442 151 I N 0.038 120.646 120.570 0.063 0.000 2.286 151 I HA -0.124 4.047 4.170 0.001 0.000 0.245 151 I C 1.364 177.538 176.117 0.097 0.000 1.104 151 I CA 1.185 62.529 61.300 0.074 0.000 1.397 151 I CB -1.398 36.649 38.000 0.079 0.000 1.072 151 I HN 0.421 nan 8.210 nan 0.000 0.417 152 E N 0.356 120.640 120.200 0.139 0.000 2.370 152 E HA 0.028 4.378 4.350 0.001 0.000 0.194 152 E C 1.571 178.284 176.600 0.189 0.000 1.057 152 E CA -0.277 56.239 56.400 0.194 0.000 1.011 152 E CB 0.140 30.050 29.700 0.350 0.000 1.132 152 E HN 0.149 nan 8.360 nan 0.000 0.450 153 I N 1.554 122.196 120.570 0.120 0.000 2.657 153 I HA -0.225 3.945 4.170 0.001 0.000 0.261 153 I C 1.047 177.222 176.117 0.096 0.000 1.212 153 I CA 1.473 62.832 61.300 0.098 0.000 1.453 153 I CB 0.030 38.069 38.000 0.065 0.000 1.092 153 I HN 0.035 nan 8.210 nan 0.000 0.452 154 D N -0.318 120.137 120.400 0.091 0.000 2.350 154 D HA 0.112 4.752 4.640 0.001 0.000 0.213 154 D C 0.522 176.864 176.300 0.070 0.000 1.031 154 D CA 0.208 54.251 54.000 0.073 0.000 0.861 154 D CB 0.327 41.160 40.800 0.055 0.000 0.926 154 D HN 0.106 nan 8.370 nan 0.000 0.520 155 V N 2.148 122.119 119.914 0.095 0.000 2.555 155 V HA 0.173 4.294 4.120 0.001 0.000 0.286 155 V C 0.576 176.709 176.094 0.065 0.000 1.044 155 V CA -0.056 62.278 62.300 0.056 0.000 1.026 155 V CB 1.248 33.097 31.823 0.045 0.000 0.981 155 V HN -0.065 nan 8.190 nan 0.000 0.480 156 I N 6.096 126.654 120.570 -0.021 0.000 2.569 156 I HA 0.697 4.867 4.170 0.001 0.000 0.296 156 I C -0.316 175.693 176.117 -0.179 0.000 1.028 156 I CA -0.574 60.700 61.300 -0.044 0.000 1.082 156 I CB 1.858 39.845 38.000 -0.022 0.000 1.264 156 I HN 0.598 nan 8.210 nan 0.000 0.429 157 L N 3.727 124.829 121.223 -0.201 0.000 2.654 157 L HA 0.788 5.129 4.340 0.001 0.000 0.257 157 L C -3.068 173.632 176.870 -0.284 0.000 1.093 157 L CA -2.099 52.514 54.840 -0.378 0.000 0.903 157 L CB 1.961 43.649 42.059 -0.618 0.000 1.520 157 L HN 0.149 nan 8.230 nan 0.000 0.402 158 P HA 0.322 nan 4.420 nan 0.000 0.278 158 P C -0.631 176.551 177.300 -0.197 0.000 1.238 158 P CA 0.005 62.928 63.100 -0.295 0.000 0.794 158 P CB 1.161 32.603 31.700 -0.429 0.000 0.955 159 G N 1.610 110.303 108.800 -0.178 0.000 2.348 159 G HA2 0.519 4.480 3.960 0.001 0.000 0.312 159 G HA3 0.519 4.480 3.960 0.001 0.000 0.312 159 G C -1.551 173.284 174.900 -0.109 0.000 1.126 159 G CA -0.162 44.939 45.100 0.001 0.000 0.865 159 G HN 0.305 nan 8.290 nan 0.000 0.474 160 Y N 0.693 121.083 120.300 0.150 0.000 2.468 160 Y HA 0.492 5.043 4.550 0.001 0.000 0.342 160 Y C -0.138 175.828 175.900 0.110 0.000 1.021 160 Y CA -1.054 57.142 58.100 0.160 0.000 1.079 160 Y CB 2.539 41.145 38.460 0.244 0.000 1.226 160 Y HN 0.593 nan 8.280 nan 0.000 0.460 161 D N 1.012 121.554 120.400 0.236 0.000 2.964 161 D HA 0.214 4.854 4.640 0.001 0.000 0.234 161 D C -0.381 175.999 176.300 0.134 0.000 1.223 161 D CA -0.615 53.425 54.000 0.067 0.000 0.889 161 D CB 1.020 41.820 40.800 -0.000 0.000 1.609 161 D HN 0.850 nan 8.370 nan 0.000 0.523 162 H N 1.407 120.568 119.070 0.151 0.000 2.992 162 H HA -0.178 4.378 4.556 0.001 0.000 0.266 162 H C 0.847 176.279 175.328 0.173 0.000 1.200 162 H CA 0.706 56.832 56.048 0.130 0.000 1.135 162 H CB -1.217 28.610 29.762 0.108 0.000 1.282 162 H HN 0.526 nan 8.280 nan 0.000 0.351 163 L N -0.908 120.492 121.223 0.295 0.000 3.843 163 L HA -0.265 4.076 4.340 0.001 0.000 0.411 163 L C -0.109 177.057 176.870 0.493 0.000 1.205 163 L CA 1.558 56.609 54.840 0.352 0.000 0.945 163 L CB -0.404 41.782 42.059 0.211 0.000 1.929 163 L HN 0.406 nan 8.230 nan 0.000 0.934 164 Q N 0.471 120.552 119.800 0.468 0.000 2.342 164 Q HA 0.391 4.732 4.340 0.001 0.000 0.267 164 Q C -0.048 176.054 176.000 0.171 0.000 1.038 164 Q CA -0.743 55.257 55.803 0.328 0.000 0.832 164 Q CB 1.792 30.659 28.738 0.215 0.000 1.323 164 Q HN 0.259 nan 8.270 nan 0.000 0.448 165 K N 1.088 121.468 120.400 -0.032 0.000 2.436 165 K HA 0.156 4.477 4.320 0.001 0.000 0.282 165 K C 0.334 176.840 176.600 -0.157 0.000 1.044 165 K CA 0.174 56.249 56.287 -0.352 0.000 1.028 165 K CB 0.679 33.026 32.500 -0.256 0.000 0.919 165 K HN 0.671 nan 8.250 nan 0.000 0.474 166 A N 3.919 126.632 122.820 -0.179 0.000 2.050 166 A HA 0.010 4.330 4.320 0.001 0.000 0.214 166 A C 0.299 177.864 177.584 -0.031 0.000 1.577 166 A CA 0.554 52.563 52.037 -0.047 0.000 0.752 166 A CB 0.259 19.257 19.000 -0.003 0.000 1.220 166 A HN 0.797 nan 8.150 nan 0.000 0.543 167 Q N -1.165 118.598 119.800 -0.060 0.000 2.590 167 Q HA 0.542 4.882 4.340 0.001 0.000 0.295 167 Q C -3.250 172.720 176.000 -0.050 0.000 0.973 167 Q CA -2.173 53.623 55.803 -0.010 0.000 0.768 167 Q CB 1.627 30.383 28.738 0.030 0.000 1.479 167 Q HN 0.059 nan 8.270 nan 0.000 0.419 168 P HA 0.280 nan 4.420 nan 0.000 0.276 168 P C -0.848 176.442 177.300 -0.017 0.000 1.230 168 P CA 0.016 63.105 63.100 -0.018 0.000 0.776 168 P CB 0.432 32.199 31.700 0.111 0.000 0.888 169 I N -1.360 119.191 120.570 -0.032 0.000 3.191 169 I HA 0.613 4.784 4.170 0.001 0.000 0.313 169 I C -0.734 175.404 176.117 0.036 0.000 1.193 169 I CA -1.713 59.580 61.300 -0.011 0.000 0.968 169 I CB 2.394 40.389 38.000 -0.007 0.000 1.262 169 I HN 0.010 nan 8.210 nan 0.000 0.456 170 R N 1.963 122.502 120.500 0.064 0.000 2.357 170 R HA 0.140 4.480 4.340 0.001 0.000 0.296 170 R C 0.574 176.984 176.300 0.184 0.000 1.052 170 R CA -0.446 55.721 56.100 0.110 0.000 0.988 170 R CB 1.200 31.556 30.300 0.093 0.000 1.025 170 R HN 0.883 nan 8.270 nan 0.000 0.469 171 W N 3.314 124.620 121.300 0.010 0.000 2.325 171 W HA -0.246 4.414 4.660 0.000 0.000 0.299 171 W C 0.619 177.238 176.519 0.166 0.000 1.215 171 W CA 1.642 59.020 57.345 0.055 0.000 1.244 171 W CB 0.092 29.548 29.460 -0.008 0.000 1.140 171 W HN 0.509 nan 8.180 nan 0.000 0.523 172 S N 0.613 116.335 115.700 0.036 0.000 2.382 172 S HA -0.297 4.173 4.470 0.001 0.000 0.228 172 S C 1.549 176.095 174.600 -0.089 0.000 1.027 172 S CA 1.851 59.991 58.200 -0.100 0.000 0.991 172 S CB -0.518 62.681 63.200 -0.002 0.000 0.823 172 S HN 0.345 nan 8.310 nan 0.000 0.469 173 Q N 0.891 120.685 119.800 -0.009 0.000 2.124 173 Q HA -0.104 4.236 4.340 0.001 0.000 0.202 173 Q C 1.735 177.708 176.000 -0.044 0.000 0.977 173 Q CA 1.562 57.352 55.803 -0.022 0.000 0.850 173 Q CB -0.539 28.205 28.738 0.009 0.000 0.901 173 Q HN 0.567 nan 8.270 nan 0.000 0.429 174 F N -0.155 119.709 119.950 -0.143 0.000 2.102 174 F HA -0.121 4.406 4.527 0.001 0.000 0.298 174 F C 1.472 177.142 175.800 -0.217 0.000 1.105 174 F CA 1.385 59.298 58.000 -0.144 0.000 1.239 174 F CB -0.202 38.772 39.000 -0.042 0.000 0.991 174 F HN 0.112 nan 8.300 nan 0.000 0.474 175 L N 0.024 121.011 121.223 -0.394 0.000 2.046 175 L HA -0.224 4.117 4.340 0.001 0.000 0.208 175 L C 2.473 179.154 176.870 -0.315 0.000 1.077 175 L CA 1.176 55.756 54.840 -0.434 0.000 0.747 175 L CB -0.815 40.998 42.059 -0.410 0.000 0.896 175 L HN 0.237 nan 8.230 nan 0.000 0.432 176 L N -0.389 120.685 121.223 -0.248 0.000 2.201 176 L HA -0.151 4.189 4.340 0.001 0.000 0.212 176 L C 2.856 179.583 176.870 -0.238 0.000 1.105 176 L CA 1.185 55.910 54.840 -0.191 0.000 0.775 176 L CB -0.545 41.436 42.059 -0.130 0.000 0.913 176 L HN 0.404 nan 8.230 nan 0.000 0.440 177 S N -1.490 114.006 115.700 -0.341 0.000 2.383 177 S HA -0.201 4.269 4.470 0.001 0.000 0.227 177 S C 1.934 176.231 174.600 -0.505 0.000 1.026 177 S CA 0.812 58.765 58.200 -0.412 0.000 0.981 177 S CB -0.497 62.416 63.200 -0.479 0.000 0.818 177 S HN 0.452 nan 8.310 nan 0.000 0.472 178 H N 1.718 120.549 119.070 -0.399 0.000 2.363 178 H HA 0.247 4.804 4.556 0.001 0.000 0.301 178 H C 2.703 177.865 175.328 -0.277 0.000 1.074 178 H CA 1.270 57.098 56.048 -0.367 0.000 1.354 178 H CB -0.814 28.695 29.762 -0.421 0.000 1.397 178 H HN 0.594 nan 8.280 nan 0.000 0.516 179 A N 0.863 123.601 122.820 -0.136 0.000 1.902 179 A HA -0.120 4.201 4.320 0.001 0.000 0.217 179 A C 2.819 180.335 177.584 -0.114 0.000 1.181 179 A CA 1.591 53.564 52.037 -0.107 0.000 0.623 179 A CB -0.867 18.074 19.000 -0.098 0.000 0.818 179 A HN 0.198 nan 8.150 nan 0.000 0.443 180 V N -0.164 119.662 119.914 -0.147 0.000 2.295 180 V HA -0.264 3.856 4.120 0.001 0.000 0.246 180 V C 3.068 179.072 176.094 -0.150 0.000 1.049 180 V CA 2.013 64.235 62.300 -0.130 0.000 1.024 180 V CB -1.271 30.470 31.823 -0.136 0.000 0.648 180 V HN 0.622 nan 8.190 nan 0.000 0.447 181 A N -0.337 122.333 122.820 -0.251 0.000 1.902 181 A HA -0.158 4.162 4.320 0.001 0.000 0.217 181 A C 2.197 179.619 177.584 -0.269 0.000 1.181 181 A CA 1.781 53.574 52.037 -0.407 0.000 0.623 181 A CB -0.559 17.949 19.000 -0.820 0.000 0.818 181 A HN 0.519 nan 8.150 nan 0.000 0.443 182 L N 0.035 121.162 121.223 -0.159 0.000 2.201 182 L HA -0.145 4.195 4.340 0.001 0.000 0.212 182 L C 2.936 179.829 176.870 0.039 0.000 1.105 182 L CA 1.643 56.482 54.840 -0.001 0.000 0.775 182 L CB -0.778 41.278 42.059 -0.005 0.000 0.913 182 L HN 0.675 nan 8.230 nan 0.000 0.440 183 T N -2.978 111.574 114.554 -0.003 0.000 2.867 183 T HA -0.163 4.187 4.350 0.001 0.000 0.268 183 T C 1.978 176.704 174.700 0.042 0.000 1.057 183 T CA 0.663 62.772 62.100 0.016 0.000 1.136 183 T CB -0.207 68.655 68.868 -0.010 0.000 0.874 183 T HN 0.276 nan 8.240 nan 0.000 0.466 184 R N 1.080 121.607 120.500 0.046 0.000 2.092 184 R HA -0.026 4.314 4.340 0.001 0.000 0.231 184 R C 2.197 178.582 176.300 0.142 0.000 1.119 184 R CA 1.483 57.630 56.100 0.078 0.000 0.970 184 R CB -0.294 30.053 30.300 0.079 0.000 0.864 184 R HN 0.478 nan 8.270 nan 0.000 0.440 185 D N 0.021 120.541 120.400 0.200 0.000 2.117 185 D HA -0.142 4.499 4.640 0.001 0.000 0.197 185 D C 1.825 178.313 176.300 0.313 0.000 0.987 185 D CA 1.264 55.447 54.000 0.305 0.000 0.829 185 D CB -0.262 40.716 40.800 0.296 0.000 0.961 185 D HN 0.045 nan 8.370 nan 0.000 0.460 186 S N 0.261 116.075 115.700 0.190 0.000 2.368 186 S HA -0.209 4.261 4.470 0.001 0.000 0.225 186 S C 1.856 176.475 174.600 0.032 0.000 1.030 186 S CA 1.493 59.754 58.200 0.102 0.000 0.999 186 S CB -0.050 63.191 63.200 0.068 0.000 0.844 186 S HN 0.244 nan 8.310 nan 0.000 0.459 187 E N 0.245 120.473 120.200 0.046 0.000 2.077 187 E HA -0.140 4.211 4.350 0.001 0.000 0.193 187 E C 2.413 179.020 176.600 0.010 0.000 0.989 187 E CA 0.917 57.330 56.400 0.022 0.000 0.800 187 E CB -0.060 29.659 29.700 0.030 0.000 0.746 187 E HN 0.458 nan 8.360 nan 0.000 0.452 188 R N 0.275 120.804 120.500 0.049 0.000 2.096 188 R HA -0.107 4.233 4.340 0.001 0.000 0.235 188 R C 2.653 178.885 176.300 -0.112 0.000 1.127 188 R CA 1.144 57.269 56.100 0.041 0.000 0.968 188 R CB -0.399 30.004 30.300 0.172 0.000 0.861 188 R HN 0.298 nan 8.270 nan 0.000 0.440 189 L N 0.189 121.236 121.223 -0.294 0.000 2.042 189 L HA -0.132 4.208 4.340 0.001 0.000 0.210 189 L C 2.178 178.889 176.870 -0.266 0.000 1.076 189 L CA 1.855 56.327 54.840 -0.612 0.000 0.749 189 L CB -0.630 41.036 42.059 -0.654 0.000 0.893 189 L HN 0.286 nan 8.230 nan 0.000 0.432 190 G N -0.882 107.832 108.800 -0.143 0.000 2.422 190 G HA2 -0.256 3.704 3.960 0.001 0.000 0.218 190 G HA3 -0.256 3.704 3.960 0.001 0.000 0.218 190 G C 1.313 176.179 174.900 -0.057 0.000 1.146 190 G CA 0.829 45.879 45.100 -0.083 0.000 0.769 190 G HN 0.517 nan 8.290 nan 0.000 0.547 191 E N -0.169 120.004 120.200 -0.044 0.000 2.072 191 E HA -0.055 4.295 4.350 0.001 0.000 0.191 191 E C 2.707 179.305 176.600 -0.003 0.000 0.985 191 E CA 0.804 57.197 56.400 -0.013 0.000 0.801 191 E CB -0.097 29.606 29.700 0.005 0.000 0.750 191 E HN 0.281 nan 8.360 nan 0.000 0.452 192 V N 1.542 121.445 119.914 -0.019 0.000 2.358 192 V HA -0.257 3.864 4.120 0.001 0.000 0.246 192 V C 2.337 178.444 176.094 0.022 0.000 1.047 192 V CA 1.701 64.017 62.300 0.025 0.000 1.035 192 V CB -0.359 31.482 31.823 0.030 0.000 0.658 192 V HN 0.187 nan 8.190 nan 0.000 0.452 193 K N 0.559 120.940 120.400 -0.032 0.000 2.103 193 K HA -0.237 4.083 4.320 0.001 0.000 0.207 193 K C 2.406 179.001 176.600 -0.008 0.000 1.048 193 K CA 1.939 58.207 56.287 -0.032 0.000 0.930 193 K CB -0.224 32.235 32.500 -0.068 0.000 0.716 193 K HN 0.491 nan 8.250 nan 0.000 0.444 194 K N 1.316 121.714 120.400 -0.004 0.000 2.032 194 K HA -0.159 4.161 4.320 0.001 0.000 0.209 194 K C 2.049 178.666 176.600 0.028 0.000 1.048 194 K CA 1.826 58.118 56.287 0.009 0.000 0.927 194 K CB -0.653 31.850 32.500 0.006 0.000 0.712 194 K HN 0.294 nan 8.250 nan 0.000 0.441 195 R N -0.671 119.853 120.500 0.040 0.000 2.189 195 R HA 0.218 4.559 4.340 0.001 0.000 0.218 195 R C 2.335 178.665 176.300 0.050 0.000 1.074 195 R CA 1.062 57.193 56.100 0.051 0.000 0.991 195 R CB -0.284 30.060 30.300 0.073 0.000 0.883 195 R HN 0.466 nan 8.270 nan 0.000 0.457 196 I N 0.666 121.271 120.570 0.059 0.000 2.500 196 I HA -0.177 3.993 4.170 0.001 0.000 0.252 196 I C 1.069 177.235 176.117 0.082 0.000 1.142 196 I CA 0.612 61.934 61.300 0.037 0.000 1.451 196 I CB -0.066 37.968 38.000 0.057 0.000 1.093 196 I HN 0.046 nan 8.210 nan 0.000 0.430 197 N N 1.185 119.943 118.700 0.097 0.000 2.652 197 N HA 0.056 4.796 4.740 0.001 0.000 0.259 197 N C -0.976 174.721 175.510 0.311 0.000 1.240 197 N CA 0.205 53.366 53.050 0.187 0.000 0.951 197 N CB -0.107 38.407 38.487 0.045 0.000 1.281 197 N HN -0.103 nan 8.380 nan 0.000 0.507 198 V N 1.687 121.739 119.914 0.231 0.000 2.483 198 V HA 0.286 4.406 4.120 0.001 0.000 0.297 198 V C -0.086 175.769 176.094 -0.399 0.000 1.027 198 V CA -1.158 61.141 62.300 -0.001 0.000 0.855 198 V CB 1.738 33.531 31.823 -0.050 0.000 0.995 198 V HN 0.168 nan 8.190 nan 0.000 0.424 199 L N 9.267 130.094 121.223 -0.661 0.000 2.477 199 L HA 0.351 4.691 4.340 0.001 0.000 0.272 199 L C -1.452 175.073 176.870 -0.574 0.000 1.157 199 L CA -0.152 54.029 54.840 -1.097 0.000 0.889 199 L CB 0.983 42.640 42.059 -0.670 0.000 1.158 199 L HN 0.443 nan 8.230 nan 0.000 0.473 200 P HA 0.020 nan 4.420 nan 0.000 0.268 200 P C 0.423 177.593 177.300 -0.216 0.000 1.248 200 P CA -0.004 62.918 63.100 -0.297 0.000 0.851 200 P CB 0.439 31.979 31.700 -0.267 0.000 1.238 201 L N 0.824 121.907 121.223 -0.233 0.000 2.525 201 L HA 0.182 4.523 4.340 0.001 0.000 0.278 201 L C 1.247 178.070 176.870 -0.078 0.000 1.218 201 L CA 1.820 56.579 54.840 -0.134 0.000 0.878 201 L CB -0.411 41.601 42.059 -0.078 0.000 1.127 201 L HN 0.351 nan 8.230 nan 0.000 0.492 202 G N 2.341 111.110 108.800 -0.051 0.000 2.138 202 G HA2 -0.222 3.739 3.960 0.001 0.000 0.193 202 G HA3 -0.222 3.739 3.960 0.001 0.000 0.193 202 G C 0.636 175.515 174.900 -0.035 0.000 0.998 202 G CA 0.231 45.330 45.100 -0.001 0.000 0.668 202 G HN 0.632 nan 8.290 nan 0.000 0.516 203 S N -0.213 115.448 115.700 -0.064 0.000 2.511 203 S HA 0.482 4.952 4.470 0.001 0.000 0.214 203 S C 1.864 176.428 174.600 -0.059 0.000 0.997 203 S CA 1.224 59.389 58.200 -0.057 0.000 0.908 203 S CB 0.345 63.508 63.200 -0.062 0.000 0.803 203 S HN 2.225 nan 8.310 nan 0.000 0.504 204 G N 1.797 110.549 108.800 -0.081 0.000 2.575 204 G HA2 -0.207 3.754 3.960 0.001 0.000 0.267 204 G HA3 -0.207 3.754 3.960 0.001 0.000 0.267 204 G C 0.876 175.715 174.900 -0.101 0.000 1.264 204 G CA -0.056 44.986 45.100 -0.096 0.000 0.935 204 G HN 0.662 nan 8.290 nan 0.000 0.568 205 A N -1.523 121.243 122.820 -0.090 0.000 2.014 205 A HA 0.427 4.747 4.320 0.001 0.000 0.218 205 A C 2.061 179.619 177.584 -0.044 0.000 1.163 205 A CA 3.445 55.431 52.037 -0.086 0.000 0.652 205 A CB -0.303 18.654 19.000 -0.072 0.000 0.808 205 A HN 2.397 nan 8.150 nan 0.000 0.449 206 L N -6.803 114.403 121.223 -0.028 0.000 3.727 206 L HA 0.431 4.772 4.340 0.001 0.000 0.408 206 L C 1.281 178.147 176.870 -0.006 0.000 0.948 206 L CA 0.899 55.737 54.840 -0.004 0.000 1.783 206 L CB -0.432 41.638 42.059 0.018 0.000 2.507 206 L HN 0.039 nan 8.230 nan 0.000 0.572 207 A N 0.441 123.253 122.820 -0.013 0.000 2.308 207 A HA 0.808 5.128 4.320 0.001 0.000 0.217 207 A C 1.276 178.851 177.584 -0.015 0.000 1.216 207 A CA 0.748 52.778 52.037 -0.011 0.000 0.864 207 A CB -0.565 18.430 19.000 -0.009 0.000 0.902 207 A HN 1.620 nan 8.150 nan 0.000 0.499 208 G N -0.445 108.342 108.800 -0.022 0.000 2.384 208 G HA2 -0.017 3.943 3.960 0.001 0.000 0.668 208 G HA3 -0.017 3.943 3.960 0.001 0.000 0.668 208 G C -0.734 174.151 174.900 -0.025 0.000 1.280 208 G CA -0.360 44.726 45.100 -0.023 0.000 0.992 208 G HN 0.619 nan 8.290 nan 0.000 0.512 209 N N 1.069 119.760 118.700 -0.015 0.000 2.472 209 N HA 0.632 5.372 4.740 0.001 0.000 0.277 209 N C -0.393 175.115 175.510 -0.003 0.000 1.081 209 N CA -1.174 51.876 53.050 -0.001 0.000 0.973 209 N CB 1.551 40.056 38.487 0.030 0.000 1.105 209 N HN 0.365 nan 8.380 nan 0.000 0.470 210 P HA 0.061 nan 4.420 nan 0.000 0.249 210 P C 0.072 177.368 177.300 -0.006 0.000 1.229 210 P CA 0.616 63.711 63.100 -0.008 0.000 0.788 210 P CB 0.311 32.004 31.700 -0.012 0.000 1.072 211 L N -0.521 120.700 121.223 -0.002 0.000 2.818 211 L HA 0.264 4.604 4.340 0.001 0.000 0.243 211 L C 0.269 177.128 176.870 -0.019 0.000 1.185 211 L CA -0.144 54.689 54.840 -0.011 0.000 0.988 211 L CB -0.644 41.407 42.059 -0.014 0.000 1.292 211 L HN -0.128 nan 8.230 nan 0.000 0.519 212 D N 1.143 121.535 120.400 -0.014 0.000 2.772 212 D HA -0.216 4.425 4.640 0.001 0.000 0.233 212 D C 0.338 176.622 176.300 -0.025 0.000 1.143 212 D CA 0.421 54.411 54.000 -0.017 0.000 0.700 212 D CB -0.421 40.368 40.800 -0.018 0.000 1.076 212 D HN 0.029 nan 8.370 nan 0.000 0.430 213 I N 1.030 121.586 120.570 -0.024 0.000 2.872 213 I HA -0.078 4.092 4.170 0.001 0.000 0.291 213 I C 0.696 176.794 176.117 -0.032 0.000 1.216 213 I CA 0.518 61.792 61.300 -0.042 0.000 1.424 213 I CB 0.583 38.574 38.000 -0.015 0.000 1.351 213 I HN 0.065 nan 8.210 nan 0.000 0.592 214 D N 7.562 127.936 120.400 -0.044 0.000 2.435 214 D HA 0.093 4.734 4.640 0.001 0.000 0.230 214 D C 1.237 177.527 176.300 -0.016 0.000 1.215 214 D CA -0.115 53.868 54.000 -0.029 0.000 0.947 214 D CB 0.383 41.164 40.800 -0.032 0.000 1.048 214 D HN 0.452 nan 8.370 nan 0.000 0.512 215 R N 2.116 122.610 120.500 -0.010 0.000 2.148 215 R HA -0.147 4.194 4.340 0.001 0.000 0.227 215 R C 1.576 177.874 176.300 -0.003 0.000 1.103 215 R CA 0.763 56.859 56.100 -0.006 0.000 0.983 215 R CB 0.175 30.464 30.300 -0.018 0.000 0.874 215 R HN 0.335 nan 8.270 nan 0.000 0.451 216 E N 1.541 121.739 120.200 -0.003 0.000 2.106 216 E HA -0.184 4.167 4.350 0.001 0.000 0.192 216 E C 1.896 178.504 176.600 0.013 0.000 0.984 216 E CA 1.265 57.667 56.400 0.004 0.000 0.806 216 E CB -0.129 29.572 29.700 0.000 0.000 0.750 216 E HN 0.240 nan 8.360 nan 0.000 0.458 217 M N -0.290 119.314 119.600 0.007 0.000 2.132 217 M HA -0.104 4.376 4.480 0.001 0.000 0.263 217 M C 1.874 178.191 176.300 0.029 0.000 1.065 217 M CA 1.377 56.683 55.300 0.010 0.000 1.122 217 M CB -0.064 32.532 32.600 -0.006 0.000 1.365 217 M HN 0.235 nan 8.290 nan 0.000 0.411 218 L N -0.317 120.926 121.223 0.033 0.000 2.046 218 L HA -0.237 4.103 4.340 0.001 0.000 0.208 218 L C 2.808 179.736 176.870 0.097 0.000 1.077 218 L CA 1.507 56.387 54.840 0.066 0.000 0.747 218 L CB -0.893 41.205 42.059 0.065 0.000 0.896 218 L HN 0.408 nan 8.230 nan 0.000 0.432 219 R N -0.172 120.374 120.500 0.077 0.000 2.080 219 R HA -0.218 4.123 4.340 0.001 0.000 0.236 219 R C 2.575 178.954 176.300 0.132 0.000 1.137 219 R CA 2.077 58.253 56.100 0.126 0.000 0.943 219 R CB -0.378 29.965 30.300 0.072 0.000 0.846 219 R HN 0.258 nan 8.270 nan 0.000 0.431 220 S N 0.249 115.993 115.700 0.074 0.000 2.359 220 S HA -0.151 4.319 4.470 0.001 0.000 0.224 220 S C 1.782 176.411 174.600 0.049 0.000 1.035 220 S CA 1.363 59.593 58.200 0.050 0.000 1.018 220 S CB -0.194 63.024 63.200 0.030 0.000 0.876 220 S HN 0.372 nan 8.310 nan 0.000 0.448 221 E N 0.909 121.143 120.200 0.056 0.000 2.058 221 E HA -0.066 4.284 4.350 0.001 0.000 0.194 221 E C 1.989 178.623 176.600 0.057 0.000 0.997 221 E CA 1.072 57.502 56.400 0.051 0.000 0.801 221 E CB -0.409 29.325 29.700 0.057 0.000 0.746 221 E HN 0.559 nan 8.360 nan 0.000 0.450 222 L N 0.243 121.531 121.223 0.108 0.000 2.591 222 L HA 0.039 4.380 4.340 0.001 0.000 0.228 222 L C 0.123 176.965 176.870 -0.047 0.000 1.133 222 L CA 0.191 55.090 54.840 0.099 0.000 0.880 222 L CB -0.243 42.003 42.059 0.312 0.000 1.033 222 L HN 0.086 nan 8.230 nan 0.000 0.450 223 E N -0.890 119.308 120.200 -0.003 0.000 2.513 223 E HA -0.229 4.122 4.350 0.001 0.000 0.257 223 E C -0.235 176.284 176.600 -0.134 0.000 1.098 223 E CA 0.150 56.508 56.400 -0.070 0.000 0.752 223 E CB -1.632 27.998 29.700 -0.116 0.000 1.324 223 E HN 0.266 nan 8.360 nan 0.000 0.403 224 F N -0.278 119.657 119.950 -0.024 0.000 2.380 224 F HA 0.375 4.902 4.527 0.001 0.000 0.325 224 F C 1.648 177.431 175.800 -0.029 0.000 1.136 224 F CA 0.331 58.311 58.000 -0.033 0.000 1.171 224 F CB 0.766 39.744 39.000 -0.037 0.000 1.230 224 F HN 0.047 nan 8.300 nan 0.000 0.554 225 A N 0.987 123.914 122.820 0.177 0.000 1.970 225 A HA 0.171 4.491 4.320 0.001 0.000 0.216 225 A C 0.624 178.252 177.584 0.074 0.000 1.170 225 A CA 1.320 53.409 52.037 0.086 0.000 0.645 225 A CB -0.427 18.605 19.000 0.053 0.000 0.816 225 A HN 0.679 nan 8.150 nan 0.000 0.447 226 S N -1.871 113.879 115.700 0.083 0.000 2.727 226 S HA 0.634 5.104 4.470 0.001 0.000 0.278 226 S C -0.675 173.920 174.600 -0.008 0.000 1.186 226 S CA -0.249 57.970 58.200 0.031 0.000 0.836 226 S CB 0.473 63.682 63.200 0.015 0.000 1.186 226 S HN 0.947 nan 8.310 nan 0.000 0.499 227 I N -0.324 120.223 120.570 -0.038 0.000 2.693 227 I HA 0.761 4.932 4.170 0.001 0.000 0.303 227 I C 0.007 176.073 176.117 -0.084 0.000 1.025 227 I CA -0.867 60.379 61.300 -0.089 0.000 1.086 227 I CB 2.169 40.124 38.000 -0.075 0.000 1.268 227 I HN 0.844 nan 8.210 nan 0.000 0.440 228 S N 4.606 120.235 115.700 -0.118 0.000 2.558 228 S HA 0.195 4.665 4.470 0.001 0.000 0.288 228 S C 0.826 175.393 174.600 -0.056 0.000 1.318 228 S CA -0.561 57.585 58.200 -0.089 0.000 1.056 228 S CB 0.901 64.035 63.200 -0.109 0.000 0.853 228 S HN 0.712 nan 8.310 nan 0.000 0.505 229 L N 1.165 122.366 121.223 -0.037 0.000 2.209 229 L HA 0.169 4.509 4.340 0.001 0.000 0.207 229 L C 1.066 177.924 176.870 -0.020 0.000 1.094 229 L CA 0.703 55.529 54.840 -0.024 0.000 0.790 229 L CB -0.577 41.474 42.059 -0.014 0.000 0.932 229 L HN 0.786 nan 8.230 nan 0.000 0.447 230 N N -1.241 117.448 118.700 -0.019 0.000 2.371 230 N HA 0.078 4.819 4.740 0.001 0.000 0.291 230 N C 0.839 176.340 175.510 -0.016 0.000 1.053 230 N CA 0.086 53.128 53.050 -0.013 0.000 0.870 230 N CB 1.514 39.998 38.487 -0.004 0.000 1.503 230 N HN -0.031 nan 8.380 nan 0.000 0.485 231 S N 3.568 119.258 115.700 -0.016 0.000 2.368 231 S HA -0.212 4.258 4.470 0.001 0.000 0.225 231 S C 1.656 176.253 174.600 -0.005 0.000 1.030 231 S CA 0.954 59.143 58.200 -0.018 0.000 0.999 231 S CB -0.336 62.852 63.200 -0.020 0.000 0.844 231 S HN 0.673 nan 8.310 nan 0.000 0.459 232 M N 1.662 121.265 119.600 0.004 0.000 2.086 232 M HA -0.079 4.401 4.480 0.001 0.000 0.261 232 M C 2.320 178.635 176.300 0.026 0.000 1.067 232 M CA 2.148 57.459 55.300 0.017 0.000 1.116 232 M CB -0.731 31.878 32.600 0.016 0.000 1.348 232 M HN 0.423 nan 8.290 nan 0.000 0.407 233 D N 0.443 120.855 120.400 0.019 0.000 2.097 233 D HA -0.149 4.492 4.640 0.001 0.000 0.195 233 D C 1.895 178.217 176.300 0.036 0.000 0.989 233 D CA 1.856 55.872 54.000 0.028 0.000 0.827 233 D CB 0.048 40.860 40.800 0.021 0.000 0.966 233 D HN 0.278 nan 8.370 nan 0.000 0.456 234 A N 0.125 122.952 122.820 0.012 0.000 1.948 234 A HA -0.153 4.167 4.320 0.001 0.000 0.220 234 A C 2.200 179.797 177.584 0.022 0.000 1.177 234 A CA 1.260 53.294 52.037 -0.006 0.000 0.636 234 A CB -0.609 18.363 19.000 -0.047 0.000 0.815 234 A HN 0.385 nan 8.150 nan 0.000 0.449 235 I N 0.079 120.672 120.570 0.037 0.000 2.480 235 I HA -0.088 4.083 4.170 0.001 0.000 0.251 235 I C 2.576 178.778 176.117 0.141 0.000 1.124 235 I CA 1.900 63.244 61.300 0.073 0.000 1.444 235 I CB -0.900 37.133 38.000 0.056 0.000 1.098 235 I HN 0.511 nan 8.210 nan 0.000 0.428 236 S N 0.157 115.924 115.700 0.110 0.000 2.503 236 S HA 0.030 4.500 4.470 0.001 0.000 0.215 236 S C 0.668 175.317 174.600 0.081 0.000 1.003 236 S CA -0.428 57.830 58.200 0.096 0.000 0.910 236 S CB -0.314 62.922 63.200 0.059 0.000 0.790 236 S HN 0.486 nan 8.310 nan 0.000 0.514 237 E N 1.220 121.484 120.200 0.107 0.000 2.366 237 E HA 0.433 4.783 4.350 0.001 0.000 0.266 237 E C 0.147 176.852 176.600 0.175 0.000 1.051 237 E CA -0.696 55.773 56.400 0.115 0.000 0.884 237 E CB 0.493 30.266 29.700 0.123 0.000 1.006 237 E HN -0.042 nan 8.360 nan 0.000 0.417 238 R N 2.284 122.807 120.500 0.038 0.000 2.668 238 R HA 0.133 4.473 4.340 0.001 0.000 0.435 238 R C -0.430 175.729 176.300 -0.235 0.000 1.059 238 R CA -0.240 55.730 56.100 -0.217 0.000 1.073 238 R CB -0.056 30.096 30.300 -0.246 0.000 1.401 238 R HN 0.641 nan 8.270 nan 0.000 0.590 239 D N 0.708 121.118 120.400 0.016 0.000 2.133 239 D HA -0.196 4.444 4.640 0.001 0.000 0.195 239 D C 1.616 177.959 176.300 0.072 0.000 0.997 239 D CA 1.488 55.523 54.000 0.058 0.000 0.840 239 D CB -0.188 40.691 40.800 0.132 0.000 0.947 239 D HN 0.370 nan 8.370 nan 0.000 0.452 240 F N -0.514 119.473 119.950 0.061 0.000 2.216 240 F HA -0.101 4.427 4.527 0.001 0.000 0.300 240 F C 1.973 177.849 175.800 0.126 0.000 1.085 240 F CA 0.505 58.555 58.000 0.083 0.000 1.326 240 F CB -0.844 38.193 39.000 0.063 0.000 1.027 240 F HN -0.156 nan 8.300 nan 0.000 0.497 241 V N 0.600 120.136 119.914 -0.630 0.000 2.346 241 V HA -0.194 3.926 4.120 0.001 0.000 0.244 241 V C 2.557 178.626 176.094 -0.041 0.000 1.037 241 V CA 1.464 63.566 62.300 -0.330 0.000 1.029 241 V CB -0.505 31.022 31.823 -0.493 0.000 0.663 241 V HN 0.341 nan 8.190 nan 0.000 0.454 242 V N -0.033 119.829 119.914 -0.086 0.000 2.287 242 V HA -0.296 3.824 4.120 0.001 0.000 0.248 242 V C 2.497 178.619 176.094 0.047 0.000 1.053 242 V CA 2.176 64.463 62.300 -0.022 0.000 1.027 242 V CB -0.687 31.118 31.823 -0.031 0.000 0.646 242 V HN 0.596 nan 8.190 nan 0.000 0.447 243 E N -0.634 119.620 120.200 0.089 0.000 2.070 243 E HA -0.280 4.070 4.350 0.001 0.000 0.197 243 E C 2.083 178.812 176.600 0.214 0.000 1.004 243 E CA 1.916 58.399 56.400 0.139 0.000 0.805 243 E CB -0.288 29.509 29.700 0.161 0.000 0.744 243 E HN 0.633 nan 8.360 nan 0.000 0.451 244 F N 1.499 121.519 119.950 0.117 0.000 2.134 244 F HA -0.155 4.372 4.527 0.001 0.000 0.299 244 F C 1.995 177.931 175.800 0.226 0.000 1.097 244 F CA 1.219 59.340 58.000 0.203 0.000 1.264 244 F CB -0.248 38.849 39.000 0.162 0.000 1.001 244 F HN -0.092 nan 8.300 nan 0.000 0.479 245 L N -0.682 120.510 121.223 -0.052 0.000 2.141 245 L HA -0.177 4.164 4.340 0.001 0.000 0.209 245 L C 2.452 179.230 176.870 -0.154 0.000 1.094 245 L CA 1.172 55.892 54.840 -0.200 0.000 0.763 245 L CB -0.875 41.140 42.059 -0.072 0.000 0.908 245 L HN 0.095 nan 8.230 nan 0.000 0.437 246 S N 0.077 115.752 115.700 -0.042 0.000 2.371 246 S HA -0.160 4.310 4.470 0.001 0.000 0.224 246 S C 1.771 176.345 174.600 -0.044 0.000 1.029 246 S CA 1.190 59.377 58.200 -0.021 0.000 0.978 246 S CB -0.351 62.867 63.200 0.031 0.000 0.833 246 S HN 0.462 nan 8.310 nan 0.000 0.466 247 F N 3.058 122.936 119.950 -0.121 0.000 2.102 247 F HA -0.081 4.447 4.527 0.001 0.000 0.298 247 F C 2.254 177.946 175.800 -0.181 0.000 1.105 247 F CA 1.096 59.027 58.000 -0.115 0.000 1.239 247 F CB -0.930 38.032 39.000 -0.062 0.000 0.991 247 F HN 0.155 nan 8.300 nan 0.000 0.474 248 A N 0.081 122.365 122.820 -0.892 0.000 1.902 248 A HA -0.159 4.162 4.320 0.001 0.000 0.217 248 A C 2.203 179.443 177.584 -0.573 0.000 1.181 248 A CA 2.346 53.795 52.037 -0.979 0.000 0.623 248 A CB -1.533 17.012 19.000 -0.759 0.000 0.818 248 A HN 0.507 nan 8.150 nan 0.000 0.443 249 T N 0.064 114.399 114.554 -0.365 0.000 2.746 249 T HA -0.065 4.286 4.350 0.001 0.000 0.267 249 T C 1.830 176.365 174.700 -0.274 0.000 1.039 249 T CA 1.252 63.219 62.100 -0.221 0.000 1.142 249 T CB -0.299 68.526 68.868 -0.071 0.000 0.866 249 T HN 0.339 nan 8.240 nan 0.000 0.444 250 L N 0.632 121.667 121.223 -0.314 0.000 2.093 250 L HA -0.029 4.312 4.340 0.001 0.000 0.208 250 L C 2.365 178.896 176.870 -0.565 0.000 1.085 250 L CA 0.941 55.543 54.840 -0.396 0.000 0.755 250 L CB -0.319 41.553 42.059 -0.311 0.000 0.904 250 L HN 0.256 nan 8.230 nan 0.000 0.435 251 L N -0.356 120.574 121.223 -0.489 0.000 2.017 251 L HA -0.246 4.094 4.340 0.001 0.000 0.208 251 L C 2.401 179.113 176.870 -0.264 0.000 1.073 251 L CA 1.906 56.526 54.840 -0.368 0.000 0.745 251 L CB -0.533 41.219 42.059 -0.513 0.000 0.894 251 L HN 0.188 nan 8.230 nan 0.000 0.432 252 M N -0.748 118.686 119.600 -0.278 0.000 2.213 252 M HA -0.150 4.331 4.480 0.001 0.000 0.263 252 M C 2.255 178.463 176.300 -0.154 0.000 1.062 252 M CA 1.183 56.375 55.300 -0.180 0.000 1.105 252 M CB -1.052 31.453 32.600 -0.159 0.000 1.385 252 M HN 0.269 nan 8.290 nan 0.000 0.417 253 I N -0.643 119.799 120.570 -0.213 0.000 2.202 253 I HA -0.276 3.895 4.170 0.001 0.000 0.242 253 I C 2.281 178.355 176.117 -0.071 0.000 1.091 253 I CA 1.572 62.767 61.300 -0.175 0.000 1.368 253 I CB -1.397 36.460 38.000 -0.238 0.000 1.058 253 I HN 0.408 nan 8.210 nan 0.000 0.410 254 H N 0.309 119.328 119.070 -0.086 0.000 2.319 254 H HA -0.128 4.428 4.556 0.001 0.000 0.299 254 H C 2.381 177.669 175.328 -0.067 0.000 1.092 254 H CA 0.957 56.971 56.048 -0.056 0.000 1.302 254 H CB 0.018 29.750 29.762 -0.051 0.000 1.373 254 H HN 0.217 nan 8.280 nan 0.000 0.497 255 L N 0.475 121.717 121.223 0.031 0.000 2.141 255 L HA -0.164 4.176 4.340 0.001 0.000 0.209 255 L C 2.744 179.572 176.870 -0.071 0.000 1.094 255 L CA 1.159 55.971 54.840 -0.048 0.000 0.763 255 L CB -0.411 41.608 42.059 -0.066 0.000 0.908 255 L HN 0.379 nan 8.230 nan 0.000 0.437 256 S N -0.116 115.548 115.700 -0.060 0.000 2.402 256 S HA -0.244 4.227 4.470 0.001 0.000 0.229 256 S C 1.993 176.557 174.600 -0.061 0.000 1.021 256 S CA 1.269 59.429 58.200 -0.066 0.000 0.974 256 S CB -0.206 62.952 63.200 -0.071 0.000 0.800 256 S HN 0.429 nan 8.310 nan 0.000 0.484 257 K N 0.735 121.117 120.400 -0.030 0.000 2.076 257 K HA 0.089 4.410 4.320 0.001 0.000 0.204 257 K C 2.407 178.984 176.600 -0.040 0.000 1.051 257 K CA 1.091 57.376 56.287 -0.002 0.000 0.949 257 K CB -0.318 32.223 32.500 0.067 0.000 0.726 257 K HN 0.454 nan 8.250 nan 0.000 0.443 258 M N 0.521 120.034 119.600 -0.146 0.000 2.159 258 M HA -0.141 4.339 4.480 0.001 0.000 0.263 258 M C 2.014 178.165 176.300 -0.247 0.000 1.063 258 M CA 1.745 56.776 55.300 -0.448 0.000 1.110 258 M CB -0.117 32.095 32.600 -0.647 0.000 1.374 258 M HN 0.310 nan 8.290 nan 0.000 0.411 259 A N 0.034 122.753 122.820 -0.168 0.000 1.877 259 A HA -0.242 4.078 4.320 0.001 0.000 0.216 259 A C 1.829 179.332 177.584 -0.136 0.000 1.186 259 A CA 2.147 54.106 52.037 -0.131 0.000 0.620 259 A CB -0.904 18.036 19.000 -0.100 0.000 0.822 259 A HN 0.639 nan 8.150 nan 0.000 0.443 260 E N 0.519 120.642 120.200 -0.128 0.000 2.058 260 E HA -0.226 4.124 4.350 0.001 0.000 0.194 260 E C 1.490 177.953 176.600 -0.228 0.000 0.997 260 E CA 1.877 58.191 56.400 -0.143 0.000 0.801 260 E CB -0.286 29.352 29.700 -0.104 0.000 0.746 260 E HN 0.545 nan 8.360 nan 0.000 0.450 261 D N -0.359 119.901 120.400 -0.233 0.000 2.092 261 D HA -0.165 4.475 4.640 0.001 0.000 0.193 261 D C 1.906 177.795 176.300 -0.684 0.000 0.994 261 D CA 1.132 54.861 54.000 -0.452 0.000 0.828 261 D CB -0.237 40.496 40.800 -0.113 0.000 0.963 261 D HN 0.201 nan 8.370 nan 0.000 0.450 262 L N 0.602 121.633 121.223 -0.320 0.000 2.141 262 L HA -0.053 4.287 4.340 0.001 0.000 0.209 262 L C 2.445 179.226 176.870 -0.149 0.000 1.094 262 L CA 0.788 55.528 54.840 -0.167 0.000 0.763 262 L CB -0.553 41.489 42.059 -0.028 0.000 0.908 262 L HN 0.062 nan 8.230 nan 0.000 0.437 263 I N -1.223 119.242 120.570 -0.175 0.000 2.179 263 I HA -0.297 3.873 4.170 0.001 0.000 0.242 263 I C 2.214 178.206 176.117 -0.208 0.000 1.088 263 I CA 0.952 62.166 61.300 -0.143 0.000 1.357 263 I CB -0.146 37.777 38.000 -0.128 0.000 1.051 263 I HN 0.153 nan 8.210 nan 0.000 0.409 264 I N -0.043 120.319 120.570 -0.347 0.000 2.202 264 I HA -0.287 3.884 4.170 0.001 0.000 0.242 264 I C 2.275 178.039 176.117 -0.589 0.000 1.091 264 I CA 1.586 62.554 61.300 -0.553 0.000 1.368 264 I CB -0.991 36.563 38.000 -0.744 0.000 1.058 264 I HN 0.162 nan 8.210 nan 0.000 0.410 265 Y N 0.490 120.490 120.300 -0.501 0.000 2.403 265 Y HA -0.107 4.444 4.550 0.001 0.000 0.291 265 Y C 2.735 178.547 175.900 -0.147 0.000 1.143 265 Y CA 0.822 58.750 58.100 -0.287 0.000 1.257 265 Y CB -1.491 36.986 38.460 0.028 0.000 0.984 265 Y HN 0.345 nan 8.280 nan 0.000 0.550 266 S N -0.900 114.809 115.700 0.014 0.000 2.558 266 S HA -0.004 4.466 4.470 0.001 0.000 0.217 266 S C 0.965 175.560 174.600 -0.009 0.000 0.975 266 S CA 0.050 58.261 58.200 0.019 0.000 0.912 266 S CB -1.099 62.109 63.200 0.014 0.000 0.776 266 S HN 0.386 nan 8.310 nan 0.000 0.526 267 T N 0.772 115.302 114.554 -0.039 0.000 2.856 267 T HA 0.264 4.615 4.350 0.001 0.000 0.306 267 T C 1.403 176.111 174.700 0.014 0.000 1.062 267 T CA 0.060 62.155 62.100 -0.009 0.000 1.083 267 T CB 1.004 69.879 68.868 0.011 0.000 0.984 267 T HN 0.346 nan 8.240 nan 0.000 0.542 268 S N 0.589 116.295 115.700 0.011 0.000 2.402 268 S HA -0.116 4.354 4.470 0.001 0.000 0.229 268 S C 1.627 176.222 174.600 -0.009 0.000 1.021 268 S CA 0.753 58.953 58.200 0.000 0.000 0.974 268 S CB -0.571 62.628 63.200 -0.002 0.000 0.800 268 S HN 0.790 nan 8.310 nan 0.000 0.484 269 E N 1.113 121.324 120.200 0.019 0.000 2.058 269 E HA 0.003 4.354 4.350 0.001 0.000 0.194 269 E C 1.516 178.052 176.600 -0.106 0.000 0.997 269 E CA 1.427 57.823 56.400 -0.007 0.000 0.801 269 E CB -0.438 29.302 29.700 0.066 0.000 0.746 269 E HN 0.604 nan 8.360 nan 0.000 0.450 270 F N -0.742 119.025 119.950 -0.304 0.000 2.118 270 F HA 0.170 4.697 4.527 0.001 0.000 0.293 270 F C 1.943 177.348 175.800 -0.658 0.000 1.102 270 F CA 1.260 58.868 58.000 -0.653 0.000 1.247 270 F CB -0.519 38.018 39.000 -0.771 0.000 1.017 270 F HN 0.175 nan 8.300 nan 0.000 0.475 271 G N -0.533 108.170 108.800 -0.161 0.000 2.198 271 G HA2 -0.316 3.645 3.960 0.001 0.000 0.260 271 G HA3 -0.316 3.645 3.960 0.001 0.000 0.260 271 G C 0.783 175.724 174.900 0.069 0.000 1.025 271 G CA 0.485 45.554 45.100 -0.052 0.000 0.769 271 G HN 0.242 nan 8.290 nan 0.000 0.507 272 F N -0.599 119.345 119.950 -0.010 0.000 2.293 272 F HA 0.395 4.923 4.527 0.001 0.000 0.297 272 F C 1.524 177.223 175.800 -0.168 0.000 1.089 272 F CA 0.878 58.793 58.000 -0.141 0.000 1.377 272 F CB -0.323 38.528 39.000 -0.249 0.000 1.051 272 F HN 0.477 nan 8.300 nan 0.000 0.511 273 L N -3.976 117.315 121.223 0.112 0.000 2.720 273 L HA 0.789 5.129 4.340 0.001 0.000 0.261 273 L C -0.842 176.062 176.870 0.058 0.000 1.046 273 L CA -0.750 54.118 54.840 0.047 0.000 0.886 273 L CB 1.932 44.023 42.059 0.053 0.000 1.493 273 L HN -0.369 nan 8.230 nan 0.000 0.407 274 T N 1.406 115.991 114.554 0.052 0.000 2.881 274 T HA 0.634 4.985 4.350 0.001 0.000 0.290 274 T C -0.367 174.376 174.700 0.072 0.000 1.000 274 T CA -0.465 61.666 62.100 0.053 0.000 0.978 274 T CB 1.394 70.285 68.868 0.039 0.000 0.997 274 T HN 0.607 nan 8.240 nan 0.000 0.443 275 L N 2.590 123.860 121.223 0.079 0.000 2.453 275 L HA 0.407 4.747 4.340 0.001 0.000 0.261 275 L C 1.335 178.275 176.870 0.116 0.000 1.179 275 L CA -0.601 54.305 54.840 0.110 0.000 0.813 275 L CB 0.845 42.974 42.059 0.116 0.000 1.110 275 L HN 0.796 nan 8.230 nan 0.000 0.466 276 S N -0.283 115.517 115.700 0.166 0.000 2.600 276 S HA 0.043 4.513 4.470 0.001 0.000 0.265 276 S C 0.556 175.204 174.600 0.079 0.000 1.325 276 S CA -0.708 57.569 58.200 0.129 0.000 1.002 276 S CB 1.034 64.337 63.200 0.170 0.000 0.921 276 S HN 0.575 nan 8.310 nan 0.000 0.554 277 D N 1.371 121.783 120.400 0.020 0.000 2.149 277 D HA -0.045 4.595 4.640 0.001 0.000 0.198 277 D C 2.131 178.376 176.300 -0.093 0.000 0.990 277 D CA 1.776 55.763 54.000 -0.022 0.000 0.839 277 D CB -0.800 39.983 40.800 -0.029 0.000 0.948 277 D HN 0.724 nan 8.370 nan 0.000 0.460 278 A N -0.461 122.240 122.820 -0.199 0.000 2.019 278 A HA -0.097 4.223 4.320 0.001 0.000 0.219 278 A C 1.375 178.575 177.584 -0.638 0.000 1.164 278 A CA 0.800 52.552 52.037 -0.474 0.000 0.644 278 A CB -0.546 18.025 19.000 -0.714 0.000 0.805 278 A HN 0.243 nan 8.150 nan 0.000 0.449 279 F N 0.020 119.974 119.950 0.007 0.000 2.708 279 F HA 0.253 4.780 4.527 0.001 0.000 0.300 279 F C 0.900 176.702 175.800 0.002 0.000 1.118 279 F CA 0.262 58.265 58.000 0.004 0.000 1.307 279 F CB 0.392 39.397 39.000 0.007 0.000 0.986 279 F HN 0.202 nan 8.300 nan 0.000 0.522 280 S N -1.935 113.820 115.700 0.091 0.000 2.685 280 S HA 0.772 5.242 4.470 0.001 0.000 0.282 280 S C -0.562 174.051 174.600 0.022 0.000 1.159 280 S CA -0.670 57.568 58.200 0.064 0.000 0.833 280 S CB 2.367 65.604 63.200 0.063 0.000 1.151 280 S HN -0.135 nan 8.310 nan 0.000 0.485 281 T N -0.029 114.536 114.554 0.018 0.000 2.916 281 T HA 0.893 5.244 4.350 0.001 0.000 0.292 281 T C 0.003 174.706 174.700 0.005 0.000 1.055 281 T CA -0.223 61.880 62.100 0.005 0.000 1.009 281 T CB 1.532 70.403 68.868 0.005 0.000 1.118 281 T HN 1.230 nan 8.240 nan 0.000 0.497 282 G N 0.149 108.950 108.800 0.000 0.000 2.721 282 G HA2 0.633 4.594 3.960 0.001 0.000 0.296 282 G HA3 0.633 4.594 3.960 0.001 0.000 0.296 282 G C -1.523 173.376 174.900 -0.001 0.000 1.383 282 G CA -0.490 44.611 45.100 0.001 0.000 0.788 282 G HN 0.718 nan 8.290 nan 0.000 0.500 283 S N -1.656 114.043 115.700 -0.001 0.000 2.548 283 S HA 0.540 5.011 4.470 0.001 0.000 0.286 283 S C 1.350 175.949 174.600 -0.001 0.000 1.098 283 S CA 0.386 58.585 58.200 -0.001 0.000 0.930 283 S CB 1.682 64.881 63.200 -0.001 0.000 1.070 283 S HN 1.384 nan 8.310 nan 0.000 0.480 284 S N 3.628 119.326 115.700 -0.002 0.000 2.481 284 S HA 0.045 4.516 4.470 0.001 0.000 0.231 284 S C 1.593 176.192 174.600 -0.001 0.000 0.996 284 S CA 0.412 58.611 58.200 -0.002 0.000 0.942 284 S CB -0.527 62.672 63.200 -0.002 0.000 0.768 284 S HN 0.688 nan 8.310 nan 0.000 0.520 285 L N -0.353 120.869 121.223 -0.001 0.000 2.240 285 L HA 0.291 4.631 4.340 0.001 0.000 0.211 285 L C 1.104 177.974 176.870 -0.001 0.000 1.106 285 L CA 0.816 55.655 54.840 -0.001 0.000 0.793 285 L CB -0.318 41.740 42.059 -0.001 0.000 0.927 285 L HN 0.348 nan 8.230 nan 0.000 0.446 286 M N 0.479 120.079 119.600 -0.000 0.000 2.389 286 M HA 0.204 4.684 4.480 0.001 0.000 0.206 286 M C -1.733 174.567 176.300 0.001 0.000 0.976 286 M CA -1.167 54.133 55.300 -0.000 0.000 0.648 286 M CB 1.589 34.189 32.600 -0.000 0.000 1.474 286 M HN -0.228 nan 8.290 nan 0.000 0.398 287 P HA -0.200 nan 4.420 nan 0.000 0.220 287 P C 0.740 178.041 177.300 0.003 0.000 1.144 287 P CA 1.458 64.559 63.100 0.001 0.000 0.800 287 P CB 0.249 31.950 31.700 0.001 0.000 0.772 288 Q N -0.218 119.584 119.800 0.003 0.000 2.424 288 Q HA 0.033 4.373 4.340 0.001 0.000 0.204 288 Q C 1.074 177.077 176.000 0.005 0.000 0.933 288 Q CA 0.443 56.248 55.803 0.004 0.000 0.929 288 Q CB -0.089 28.651 28.738 0.003 0.000 1.037 288 Q HN 0.386 nan 8.270 nan 0.000 0.511 289 K N 1.603 122.005 120.400 0.004 0.000 2.285 289 K HA 0.165 4.486 4.320 0.001 0.000 0.286 289 K C -0.703 175.901 176.600 0.007 0.000 1.072 289 K CA -0.013 56.277 56.287 0.004 0.000 0.913 289 K CB 0.478 32.979 32.500 0.002 0.000 1.067 289 K HN -0.259 nan 8.250 nan 0.000 0.479 290 K N 3.796 124.202 120.400 0.010 0.000 2.358 290 K HA 0.279 4.599 4.320 0.001 0.000 0.260 290 K C -1.024 175.584 176.600 0.013 0.000 0.956 290 K CA -0.989 55.306 56.287 0.014 0.000 0.834 290 K CB 1.324 33.838 32.500 0.023 0.000 1.102 290 K HN 0.605 nan 8.250 nan 0.000 0.431 291 N N 4.114 122.821 118.700 0.013 0.000 2.434 291 N HA 0.168 4.908 4.740 0.001 0.000 0.272 291 N C -2.333 173.189 175.510 0.020 0.000 1.040 291 N CA -1.634 51.422 53.050 0.010 0.000 0.956 291 N CB 1.195 39.686 38.487 0.006 0.000 1.108 291 N HN 0.290 nan 8.380 nan 0.000 0.481 292 P HA 0.160 nan 4.420 nan 0.000 0.220 292 P C -0.421 176.893 177.300 0.023 0.000 1.806 292 P CA -0.171 62.944 63.100 0.024 0.000 0.976 292 P CB 0.084 31.786 31.700 0.003 0.000 1.952 293 D N 0.684 121.104 120.400 0.033 0.000 2.133 293 D HA -0.189 4.451 4.640 0.001 0.000 0.195 293 D C 2.231 178.555 176.300 0.041 0.000 0.997 293 D CA 2.092 56.110 54.000 0.030 0.000 0.840 293 D CB -0.319 40.500 40.800 0.031 0.000 0.947 293 D HN 0.303 nan 8.370 nan 0.000 0.452 294 S N 0.350 116.097 115.700 0.077 0.000 2.359 294 S HA -0.178 4.293 4.470 0.001 0.000 0.224 294 S C 2.101 176.712 174.600 0.019 0.000 1.035 294 S CA 0.844 59.097 58.200 0.088 0.000 1.018 294 S CB -0.831 62.473 63.200 0.173 0.000 0.876 294 S HN 0.276 nan 8.310 nan 0.000 0.448 295 L N 1.292 122.514 121.223 -0.002 0.000 2.141 295 L HA -0.031 4.309 4.340 0.001 0.000 0.209 295 L C 2.888 179.736 176.870 -0.036 0.000 1.094 295 L CA 1.442 56.260 54.840 -0.037 0.000 0.763 295 L CB -0.640 41.390 42.059 -0.049 0.000 0.908 295 L HN 0.410 nan 8.230 nan 0.000 0.437 296 E N 0.304 120.492 120.200 -0.021 0.000 2.072 296 E HA -0.176 4.175 4.350 0.001 0.000 0.191 296 E C 2.355 178.945 176.600 -0.017 0.000 0.985 296 E CA 0.872 57.258 56.400 -0.023 0.000 0.801 296 E CB -0.097 29.594 29.700 -0.015 0.000 0.750 296 E HN 0.426 nan 8.360 nan 0.000 0.452 297 L N 0.855 122.075 121.223 -0.006 0.000 2.012 297 L HA -0.225 4.115 4.340 0.001 0.000 0.210 297 L C 2.391 179.252 176.870 -0.014 0.000 1.073 297 L CA 0.698 55.536 54.840 -0.003 0.000 0.748 297 L CB -0.397 41.669 42.059 0.012 0.000 0.891 297 L HN 0.197 nan 8.230 nan 0.000 0.431 298 I N -0.100 120.455 120.570 -0.024 0.000 2.163 298 I HA -0.311 3.860 4.170 0.001 0.000 0.243 298 I C 2.706 178.795 176.117 -0.046 0.000 1.085 298 I CA 1.516 62.792 61.300 -0.040 0.000 1.347 298 I CB -1.230 36.735 38.000 -0.058 0.000 1.044 298 I HN 0.343 nan 8.210 nan 0.000 0.408 299 R N 1.188 121.660 120.500 -0.048 0.000 2.083 299 R HA -0.194 4.146 4.340 0.001 0.000 0.237 299 R C 2.558 178.834 176.300 -0.041 0.000 1.137 299 R CA 2.299 58.368 56.100 -0.051 0.000 0.951 299 R CB -0.185 30.083 30.300 -0.053 0.000 0.851 299 R HN 0.501 nan 8.270 nan 0.000 0.434 300 S N 0.231 115.913 115.700 -0.030 0.000 2.419 300 S HA -0.072 4.398 4.470 0.001 0.000 0.233 300 S C 1.533 176.124 174.600 -0.015 0.000 1.016 300 S CA 0.810 58.999 58.200 -0.019 0.000 0.974 300 S CB -0.052 63.141 63.200 -0.012 0.000 0.786 300 S HN 0.252 nan 8.310 nan 0.000 0.492 301 K N 1.667 122.054 120.400 -0.021 0.000 2.365 301 K HA 0.259 4.579 4.320 0.001 0.000 0.199 301 K C 2.271 178.856 176.600 -0.026 0.000 1.045 301 K CA 0.922 57.197 56.287 -0.020 0.000 0.962 301 K CB -0.954 31.531 32.500 -0.025 0.000 0.759 301 K HN 0.540 nan 8.250 nan 0.000 0.469 302 A N 1.179 123.976 122.820 -0.037 0.000 1.902 302 A HA -0.079 4.241 4.320 0.001 0.000 0.217 302 A C 2.459 180.052 177.584 0.015 0.000 1.181 302 A CA 2.009 54.018 52.037 -0.046 0.000 0.623 302 A CB -0.953 18.001 19.000 -0.076 0.000 0.818 302 A HN 0.361 nan 8.150 nan 0.000 0.443 303 G N -0.906 107.911 108.800 0.029 0.000 2.394 303 G HA2 -0.201 3.759 3.960 0.001 0.000 0.215 303 G HA3 -0.201 3.759 3.960 0.001 0.000 0.215 303 G C 1.728 176.685 174.900 0.095 0.000 1.165 303 G CA 0.888 46.050 45.100 0.103 0.000 0.784 303 G HN 0.535 nan 8.290 nan 0.000 0.535 304 R N -0.031 120.490 120.500 0.036 0.000 2.081 304 R HA -0.048 4.293 4.340 0.001 0.000 0.235 304 R C 2.554 178.855 176.300 0.000 0.000 1.131 304 R CA 1.570 57.677 56.100 0.011 0.000 0.960 304 R CB -0.340 29.962 30.300 0.003 0.000 0.856 304 R HN 0.269 nan 8.270 nan 0.000 0.436 305 V N 0.799 120.715 119.914 0.003 0.000 2.323 305 V HA -0.211 3.910 4.120 0.001 0.000 0.244 305 V C 2.043 178.139 176.094 0.003 0.000 1.041 305 V CA 1.717 64.002 62.300 -0.025 0.000 1.025 305 V CB -0.721 31.059 31.823 -0.072 0.000 0.656 305 V HN 0.336 nan 8.190 nan 0.000 0.451 306 F N 2.489 122.377 119.950 -0.102 0.000 2.126 306 F HA -0.110 4.417 4.527 0.000 0.000 0.299 306 F C 2.131 177.886 175.800 -0.075 0.000 1.096 306 F CA 1.635 59.578 58.000 -0.094 0.000 1.255 306 F CB -1.007 37.943 39.000 -0.085 0.000 0.997 306 F HN 0.135 nan 8.300 nan 0.000 0.479 307 G N 0.668 109.325 108.800 -0.238 0.000 2.442 307 G HA2 -0.246 3.714 3.960 0.001 0.000 0.219 307 G HA3 -0.246 3.714 3.960 0.001 0.000 0.219 307 G C 1.815 176.544 174.900 -0.286 0.000 1.141 307 G CA 0.605 45.495 45.100 -0.350 0.000 0.763 307 G HN 0.222 nan 8.290 nan 0.000 0.554 308 R N -0.272 120.119 120.500 -0.181 0.000 2.092 308 R HA 0.054 4.394 4.340 0.001 0.000 0.231 308 R C 2.462 178.664 176.300 -0.164 0.000 1.119 308 R CA 0.769 56.784 56.100 -0.143 0.000 0.970 308 R CB -1.184 29.066 30.300 -0.084 0.000 0.864 308 R HN 0.469 nan 8.270 nan 0.000 0.440 309 L N 0.889 122.003 121.223 -0.182 0.000 2.017 309 L HA -0.037 4.303 4.340 0.001 0.000 0.208 309 L C 2.193 178.933 176.870 -0.217 0.000 1.073 309 L CA 2.096 56.842 54.840 -0.156 0.000 0.745 309 L CB -0.804 41.201 42.059 -0.089 0.000 0.894 309 L HN 0.134 nan 8.230 nan 0.000 0.432 310 A N -0.540 122.041 122.820 -0.399 0.000 1.883 310 A HA -0.249 4.072 4.320 0.001 0.000 0.217 310 A C 2.516 179.955 177.584 -0.242 0.000 1.186 310 A CA 2.439 54.238 52.037 -0.397 0.000 0.624 310 A CB -1.298 17.302 19.000 -0.667 0.000 0.822 310 A HN 0.705 nan 8.150 nan 0.000 0.444 311 S N -0.008 115.557 115.700 -0.224 0.000 2.356 311 S HA -0.138 4.332 4.470 0.001 0.000 0.223 311 S C 1.800 176.320 174.600 -0.132 0.000 1.032 311 S CA 1.501 59.605 58.200 -0.160 0.000 1.005 311 S CB -0.575 62.538 63.200 -0.146 0.000 0.867 311 S HN 0.327 nan 8.310 nan 0.000 0.449 312 I N 2.194 122.686 120.570 -0.131 0.000 2.315 312 I HA -0.035 4.135 4.170 0.001 0.000 0.248 312 I C 2.480 178.536 176.117 -0.101 0.000 1.117 312 I CA 0.794 62.025 61.300 -0.115 0.000 1.404 312 I CB -1.559 36.372 38.000 -0.116 0.000 1.071 312 I HN 0.324 nan 8.210 nan 0.000 0.419 313 L N -0.284 120.880 121.223 -0.098 0.000 2.046 313 L HA -0.224 4.117 4.340 0.001 0.000 0.208 313 L C 2.677 179.504 176.870 -0.072 0.000 1.077 313 L CA 1.429 56.223 54.840 -0.076 0.000 0.747 313 L CB -0.421 41.598 42.059 -0.068 0.000 0.896 313 L HN 0.246 nan 8.230 nan 0.000 0.432 314 M N -0.843 118.707 119.600 -0.083 0.000 2.200 314 M HA -0.145 4.336 4.480 0.001 0.000 0.265 314 M C 2.138 178.396 176.300 -0.069 0.000 1.066 314 M CA 1.352 56.609 55.300 -0.072 0.000 1.127 314 M CB 0.109 32.663 32.600 -0.077 0.000 1.379 314 M HN -0.001 nan 8.290 nan 0.000 0.420 315 V N 1.200 121.066 119.914 -0.080 0.000 2.287 315 V HA -0.294 3.826 4.120 0.001 0.000 0.248 315 V C 2.305 178.354 176.094 -0.075 0.000 1.053 315 V CA 1.826 64.079 62.300 -0.079 0.000 1.027 315 V CB -0.660 31.109 31.823 -0.091 0.000 0.646 315 V HN 0.546 nan 8.190 nan 0.000 0.447 316 L N -0.616 120.563 121.223 -0.073 0.000 2.217 316 L HA -0.018 4.322 4.340 0.001 0.000 0.211 316 L C 1.533 178.373 176.870 -0.050 0.000 1.107 316 L CA 0.603 55.404 54.840 -0.064 0.000 0.783 316 L CB -0.378 41.644 42.059 -0.062 0.000 0.919 316 L HN 0.168 nan 8.230 nan 0.000 0.442 317 K N 1.477 121.849 120.400 -0.047 0.000 2.453 317 K HA -0.013 4.307 4.320 0.001 0.000 0.280 317 K C 0.943 177.522 176.600 -0.034 0.000 1.045 317 K CA 0.996 57.261 56.287 -0.036 0.000 1.059 317 K CB 0.343 32.822 32.500 -0.035 0.000 0.901 317 K HN 0.306 nan 8.250 nan 0.000 0.475 318 G N 3.681 112.465 108.800 -0.027 0.000 2.155 318 G HA2 -0.271 3.689 3.960 0.001 0.000 0.257 318 G HA3 -0.271 3.689 3.960 0.001 0.000 0.257 318 G C 0.251 175.134 174.900 -0.029 0.000 0.983 318 G CA 0.402 45.487 45.100 -0.025 0.000 0.676 318 G HN 0.552 nan 8.290 nan 0.000 0.528 319 L N 2.015 123.216 121.223 -0.036 0.000 2.380 319 L HA 0.390 4.730 4.340 0.001 0.000 0.273 319 L C -0.673 176.177 176.870 -0.033 0.000 1.138 319 L CA -1.587 53.228 54.840 -0.043 0.000 0.832 319 L CB 0.507 42.530 42.059 -0.060 0.000 1.124 319 L HN 0.106 nan 8.230 nan 0.000 0.454 320 P HA 0.226 nan 4.420 nan 0.000 0.278 320 P C -0.809 176.480 177.300 -0.018 0.000 1.258 320 P CA -0.581 62.507 63.100 -0.020 0.000 0.811 320 P CB 1.153 32.844 31.700 -0.016 0.000 1.063 321 S N 0.016 115.712 115.700 -0.005 0.000 2.585 321 S HA 0.247 4.718 4.470 0.001 0.000 0.273 321 S C 0.984 175.591 174.600 0.012 0.000 1.339 321 S CA -0.148 58.055 58.200 0.005 0.000 1.028 321 S CB 0.571 63.778 63.200 0.011 0.000 0.906 321 S HN 0.537 nan 8.310 nan 0.000 0.528 322 T N 0.515 115.088 114.554 0.032 0.000 3.556 322 T HA 0.161 4.511 4.350 0.001 0.000 0.204 322 T C -0.239 174.498 174.700 0.062 0.000 0.896 322 T CA 0.003 62.133 62.100 0.050 0.000 1.380 322 T CB -0.414 68.496 68.868 0.070 0.000 1.584 322 T HN 0.591 nan 8.240 nan 0.000 0.411 323 Y N 3.066 123.367 120.300 0.002 0.000 2.309 323 Y HA 0.455 5.006 4.550 0.001 0.000 0.327 323 Y C -0.205 175.698 175.900 0.004 0.000 1.172 323 Y CA -0.542 57.560 58.100 0.005 0.000 1.280 323 Y CB 0.389 38.851 38.460 0.003 0.000 1.234 323 Y HN 0.208 nan 8.280 nan 0.000 0.512 324 N N 4.161 122.345 118.700 -0.860 0.000 2.416 324 N HA 0.130 4.870 4.740 0.001 0.000 0.276 324 N C -0.029 175.009 175.510 -0.786 0.000 1.261 324 N CA -0.753 51.981 53.050 -0.527 0.000 0.790 324 N CB 2.041 40.368 38.487 -0.268 0.000 1.554 324 N HN 0.517 nan 8.380 nan 0.000 0.481 325 K N 0.881 121.092 120.400 -0.315 0.000 2.283 325 K HA -0.070 4.250 4.320 0.001 0.000 0.202 325 K C 0.197 176.708 176.600 -0.148 0.000 1.048 325 K CA 1.170 57.367 56.287 -0.149 0.000 0.948 325 K CB -0.197 32.306 32.500 0.006 0.000 0.742 325 K HN 0.506 nan 8.250 nan 0.000 0.458 326 D N 0.695 120.990 120.400 -0.174 0.000 2.190 326 D HA -0.182 4.458 4.640 0.001 0.000 0.200 326 D C 1.681 177.903 176.300 -0.129 0.000 0.992 326 D CA 0.852 54.776 54.000 -0.127 0.000 0.854 326 D CB -0.183 40.543 40.800 -0.123 0.000 0.936 326 D HN 0.177 nan 8.370 nan 0.000 0.462 327 L N 0.310 121.417 121.223 -0.194 0.000 2.353 327 L HA -0.169 4.172 4.340 0.001 0.000 0.220 327 L C 2.364 179.213 176.870 -0.034 0.000 1.133 327 L CA 0.709 55.473 54.840 -0.126 0.000 0.798 327 L CB -0.496 41.470 42.059 -0.155 0.000 0.922 327 L HN 0.099 nan 8.230 nan 0.000 0.445 328 Q N 0.467 120.270 119.800 0.005 0.000 2.364 328 Q HA -0.194 4.147 4.340 0.001 0.000 0.209 328 Q C 1.669 177.682 176.000 0.022 0.000 0.977 328 Q CA 0.989 56.838 55.803 0.078 0.000 0.885 328 Q CB 0.176 28.989 28.738 0.125 0.000 0.941 328 Q HN 0.433 nan 8.270 nan 0.000 0.464 329 E N 1.070 121.243 120.200 -0.045 0.000 2.478 329 E HA -0.140 4.210 4.350 0.001 0.000 0.198 329 E C 1.138 177.651 176.600 -0.145 0.000 1.046 329 E CA 0.983 57.320 56.400 -0.105 0.000 0.870 329 E CB 0.074 29.713 29.700 -0.102 0.000 0.818 329 E HN 0.655 nan 8.360 nan 0.000 0.527 330 D N 0.997 121.322 120.400 -0.126 0.000 2.097 330 D HA -0.181 4.459 4.640 0.001 0.000 0.197 330 D C 1.682 177.833 176.300 -0.248 0.000 0.984 330 D CA 0.906 54.806 54.000 -0.167 0.000 0.826 330 D CB -0.328 40.379 40.800 -0.155 0.000 0.973 330 D HN -0.074 nan 8.370 nan 0.000 0.460 331 K N 0.670 120.903 120.400 -0.278 0.000 2.015 331 K HA -0.162 4.159 4.320 0.001 0.000 0.216 331 K C 2.246 178.375 176.600 -0.785 0.000 1.052 331 K CA 1.833 57.778 56.287 -0.570 0.000 0.937 331 K CB -0.355 32.006 32.500 -0.232 0.000 0.719 331 K HN 0.307 nan 8.250 nan 0.000 0.446 332 E N -0.609 119.279 120.200 -0.521 0.000 2.110 332 E HA -0.187 4.164 4.350 0.001 0.000 0.193 332 E C 1.935 178.411 176.600 -0.207 0.000 0.988 332 E CA 1.060 57.240 56.400 -0.366 0.000 0.804 332 E CB -0.134 29.302 29.700 -0.440 0.000 0.745 332 E HN 0.392 nan 8.360 nan 0.000 0.458 333 A N 0.762 123.459 122.820 -0.204 0.000 1.873 333 A HA -0.139 4.181 4.320 0.001 0.000 0.215 333 A C 2.498 180.072 177.584 -0.016 0.000 1.186 333 A CA 1.155 53.133 52.037 -0.100 0.000 0.616 333 A CB -0.674 18.264 19.000 -0.104 0.000 0.823 333 A HN 0.116 nan 8.150 nan 0.000 0.442 334 V N -0.709 119.159 119.914 -0.077 0.000 2.287 334 V HA -0.289 3.832 4.120 0.001 0.000 0.248 334 V C 2.366 178.593 176.094 0.222 0.000 1.053 334 V CA 2.160 64.507 62.300 0.079 0.000 1.027 334 V CB -1.100 30.672 31.823 -0.084 0.000 0.646 334 V HN 0.632 nan 8.190 nan 0.000 0.447 335 F N 0.444 120.463 119.950 0.114 0.000 2.095 335 F HA -0.248 4.279 4.527 0.001 0.000 0.298 335 F C 2.527 178.409 175.800 0.137 0.000 1.104 335 F CA 1.546 59.619 58.000 0.122 0.000 1.232 335 F CB -0.409 38.594 39.000 0.005 0.000 0.987 335 F HN 0.258 nan 8.300 nan 0.000 0.475 336 D N 0.626 121.188 120.400 0.271 0.000 2.104 336 D HA -0.158 4.482 4.640 0.001 0.000 0.194 336 D C 2.088 178.492 176.300 0.173 0.000 0.994 336 D CA 1.341 55.444 54.000 0.170 0.000 0.830 336 D CB -0.312 40.539 40.800 0.084 0.000 0.959 336 D HN 0.040 nan 8.370 nan 0.000 0.452 337 V N -0.060 119.971 119.914 0.195 0.000 2.343 337 V HA -0.190 3.930 4.120 0.001 0.000 0.247 337 V C 2.734 179.005 176.094 0.294 0.000 1.051 337 V CA 1.240 63.653 62.300 0.187 0.000 1.036 337 V CB -0.379 31.533 31.823 0.148 0.000 0.654 337 V HN 0.139 nan 8.190 nan 0.000 0.451 338 V N 0.395 120.570 119.914 0.434 0.000 2.287 338 V HA -0.284 3.837 4.120 0.001 0.000 0.248 338 V C 2.300 178.556 176.094 0.270 0.000 1.053 338 V CA 2.378 64.927 62.300 0.415 0.000 1.027 338 V CB -0.668 31.401 31.823 0.410 0.000 0.646 338 V HN 0.576 nan 8.190 nan 0.000 0.447 339 D N -0.551 119.989 120.400 0.234 0.000 2.144 339 D HA -0.116 4.524 4.640 0.001 0.000 0.200 339 D C 2.262 178.629 176.300 0.112 0.000 0.978 339 D CA 1.666 55.760 54.000 0.156 0.000 0.833 339 D CB -0.429 40.453 40.800 0.136 0.000 0.961 339 D HN 0.396 nan 8.370 nan 0.000 0.470 340 T N 1.466 116.085 114.554 0.109 0.000 2.674 340 T HA -0.086 4.265 4.350 0.001 0.000 0.265 340 T C 2.226 176.956 174.700 0.050 0.000 1.039 340 T CA 0.616 62.753 62.100 0.062 0.000 1.150 340 T CB -0.350 68.545 68.868 0.044 0.000 0.864 340 T HN 0.115 nan 8.240 nan 0.000 0.427 341 L N 0.652 121.921 121.223 0.077 0.000 2.012 341 L HA -0.153 4.187 4.340 0.001 0.000 0.210 341 L C 2.933 179.852 176.870 0.082 0.000 1.073 341 L CA 1.408 56.291 54.840 0.071 0.000 0.748 341 L CB -1.217 40.921 42.059 0.131 0.000 0.891 341 L HN 0.326 nan 8.230 nan 0.000 0.431 342 T N -0.104 114.517 114.554 0.112 0.000 2.720 342 T HA -0.190 4.160 4.350 0.001 0.000 0.268 342 T C 1.962 176.618 174.700 -0.074 0.000 1.037 342 T CA 1.454 63.595 62.100 0.067 0.000 1.144 342 T CB -0.206 68.734 68.868 0.120 0.000 0.864 342 T HN 0.470 nan 8.240 nan 0.000 0.444 343 A N 0.777 123.584 122.820 -0.021 0.000 1.855 343 A HA -0.001 4.320 4.320 0.001 0.000 0.215 343 A C 2.597 180.157 177.584 -0.041 0.000 1.191 343 A CA 1.181 53.197 52.037 -0.034 0.000 0.613 343 A CB -1.048 17.955 19.000 0.005 0.000 0.829 343 A HN 0.321 nan 8.150 nan 0.000 0.442 344 V N 0.224 120.124 119.914 -0.024 0.000 2.332 344 V HA -0.274 3.847 4.120 0.001 0.000 0.248 344 V C 2.597 178.661 176.094 -0.051 0.000 1.055 344 V CA 2.078 64.358 62.300 -0.033 0.000 1.038 344 V CB -0.722 31.083 31.823 -0.030 0.000 0.651 344 V HN 0.562 nan 8.190 nan 0.000 0.450 345 L N -0.761 120.437 121.223 -0.043 0.000 2.083 345 L HA -0.232 4.108 4.340 0.001 0.000 0.209 345 L C 2.653 179.482 176.870 -0.068 0.000 1.083 345 L CA 1.615 56.436 54.840 -0.031 0.000 0.752 345 L CB -0.557 41.529 42.059 0.045 0.000 0.899 345 L HN 0.378 nan 8.230 nan 0.000 0.433 346 Q N -0.784 118.936 119.800 -0.132 0.000 2.119 346 Q HA -0.149 4.191 4.340 0.001 0.000 0.201 346 Q C 2.362 178.318 176.000 -0.074 0.000 0.972 346 Q CA 1.276 57.007 55.803 -0.119 0.000 0.847 346 Q CB -0.111 28.515 28.738 -0.187 0.000 0.903 346 Q HN 0.359 nan 8.270 nan 0.000 0.433 347 V N 1.024 120.898 119.914 -0.067 0.000 2.427 347 V HA -0.260 3.860 4.120 0.001 0.000 0.248 347 V C 2.271 178.183 176.094 -0.303 0.000 1.051 347 V CA 1.760 63.998 62.300 -0.103 0.000 1.048 347 V CB -0.922 30.899 31.823 -0.004 0.000 0.666 347 V HN 0.375 nan 8.190 nan 0.000 0.456 348 A N -0.199 122.506 122.820 -0.191 0.000 1.877 348 A HA -0.232 4.088 4.320 0.001 0.000 0.216 348 A C 2.413 179.872 177.584 -0.209 0.000 1.186 348 A CA 2.537 54.457 52.037 -0.196 0.000 0.620 348 A CB -1.052 17.875 19.000 -0.123 0.000 0.822 348 A HN 0.483 nan 8.150 nan 0.000 0.443 349 T N -0.171 114.295 114.554 -0.147 0.000 2.684 349 T HA -0.093 4.257 4.350 0.001 0.000 0.267 349 T C 1.961 176.571 174.700 -0.150 0.000 1.036 349 T CA 1.667 63.706 62.100 -0.101 0.000 1.148 349 T CB -0.721 68.127 68.868 -0.033 0.000 0.863 349 T HN 0.608 nan 8.240 nan 0.000 0.436 350 G N 0.941 109.593 108.800 -0.248 0.000 2.421 350 G HA2 -0.181 3.780 3.960 0.001 0.000 0.216 350 G HA3 -0.181 3.780 3.960 0.001 0.000 0.216 350 G C 1.724 176.285 174.900 -0.565 0.000 1.171 350 G CA 0.926 45.840 45.100 -0.309 0.000 0.775 350 G HN 0.432 nan 8.290 nan 0.000 0.543 351 V N 1.040 120.410 119.914 -0.907 0.000 2.255 351 V HA -0.206 3.915 4.120 0.001 0.000 0.247 351 V C 2.810 178.797 176.094 -0.179 0.000 1.051 351 V CA 1.895 63.857 62.300 -0.565 0.000 1.018 351 V CB -0.418 31.147 31.823 -0.431 0.000 0.641 351 V HN 0.366 nan 8.190 nan 0.000 0.445 352 I N 0.888 121.376 120.570 -0.136 0.000 2.252 352 I HA -0.206 3.964 4.170 0.001 0.000 0.245 352 I C 2.611 178.746 176.117 0.030 0.000 1.102 352 I CA 1.867 63.156 61.300 -0.019 0.000 1.385 352 I CB -0.465 37.516 38.000 -0.033 0.000 1.064 352 I HN 0.443 nan 8.210 nan 0.000 0.414 353 S N -0.881 114.822 115.700 0.006 0.000 2.453 353 S HA -0.111 4.359 4.470 0.001 0.000 0.231 353 S C 1.856 176.505 174.600 0.082 0.000 1.005 353 S CA 1.213 59.443 58.200 0.050 0.000 0.949 353 S CB -0.820 62.407 63.200 0.046 0.000 0.774 353 S HN 0.572 nan 8.310 nan 0.000 0.510 354 T N -0.120 114.490 114.554 0.092 0.000 3.054 354 T HA 0.429 4.780 4.350 0.001 0.000 0.255 354 T C 0.439 175.218 174.700 0.132 0.000 1.035 354 T CA -0.393 61.789 62.100 0.136 0.000 0.941 354 T CB -0.709 68.296 68.868 0.228 0.000 1.026 354 T HN 0.422 nan 8.240 nan 0.000 0.533 355 L N 0.363 121.657 121.223 0.119 0.000 2.464 355 L HA 0.738 5.078 4.340 0.001 0.000 0.264 355 L C -0.050 176.883 176.870 0.106 0.000 1.199 355 L CA -0.621 54.291 54.840 0.120 0.000 0.818 355 L CB -0.535 41.602 42.059 0.131 0.000 1.102 355 L HN 0.209 nan 8.230 nan 0.000 0.473 356 Q N 3.484 123.332 119.800 0.079 0.000 2.322 356 Q HA 0.713 5.054 4.340 0.001 0.000 0.265 356 Q C -0.459 175.546 176.000 0.009 0.000 0.985 356 Q CA -0.377 55.455 55.803 0.047 0.000 0.849 356 Q CB 1.267 30.028 28.738 0.038 0.000 1.274 356 Q HN 0.920 nan 8.270 nan 0.000 0.449 357 I N -1.332 119.213 120.570 -0.042 0.000 2.664 357 I HA 0.803 4.973 4.170 0.001 0.000 0.308 357 I C 0.294 176.335 176.117 -0.127 0.000 0.984 357 I CA -0.766 60.439 61.300 -0.158 0.000 1.213 357 I CB 2.455 40.224 38.000 -0.385 0.000 1.379 357 I HN 0.450 nan 8.210 nan 0.000 0.501 358 S N 3.022 118.638 115.700 -0.141 0.000 2.528 358 S HA 0.337 4.808 4.470 0.001 0.000 0.303 358 S C 0.671 175.182 174.600 -0.149 0.000 1.123 358 S CA -0.774 57.370 58.200 -0.092 0.000 1.138 358 S CB 0.412 63.597 63.200 -0.026 0.000 0.984 358 S HN 0.777 nan 8.310 nan 0.000 0.474 359 K N 2.428 122.738 120.400 -0.151 0.000 2.103 359 K HA -0.106 4.214 4.320 0.001 0.000 0.207 359 K C 2.463 178.988 176.600 -0.126 0.000 1.048 359 K CA 1.670 57.858 56.287 -0.165 0.000 0.930 359 K CB -0.251 32.183 32.500 -0.109 0.000 0.716 359 K HN 0.760 nan 8.250 nan 0.000 0.444 360 E N 2.244 122.396 120.200 -0.079 0.000 2.023 360 E HA -0.239 4.112 4.350 0.001 0.000 0.196 360 E C 1.745 178.315 176.600 -0.051 0.000 1.003 360 E CA 1.876 58.245 56.400 -0.053 0.000 0.809 360 E CB -0.881 28.800 29.700 -0.030 0.000 0.755 360 E HN 0.316 nan 8.360 nan 0.000 0.449 361 N N -0.146 118.538 118.700 -0.026 0.000 2.166 361 N HA -0.049 4.691 4.740 0.001 0.000 0.186 361 N C 1.990 177.514 175.510 0.023 0.000 1.019 361 N CA 1.600 54.673 53.050 0.037 0.000 0.856 361 N CB -0.265 38.289 38.487 0.113 0.000 0.993 361 N HN 0.498 nan 8.380 nan 0.000 0.426 362 M N 0.543 120.048 119.600 -0.159 0.000 2.117 362 M HA -0.133 4.347 4.480 0.001 0.000 0.262 362 M C 2.128 178.217 176.300 -0.352 0.000 1.065 362 M CA 1.354 56.358 55.300 -0.493 0.000 1.114 362 M CB -0.206 32.024 32.600 -0.616 0.000 1.361 362 M HN 0.188 nan 8.290 nan 0.000 0.408 363 E N 0.848 120.907 120.200 -0.236 0.000 2.107 363 E HA -0.227 4.123 4.350 0.001 0.000 0.191 363 E C 1.935 178.416 176.600 -0.199 0.000 0.982 363 E CA 1.117 57.388 56.400 -0.215 0.000 0.809 363 E CB -0.005 29.622 29.700 -0.121 0.000 0.756 363 E HN 0.389 nan 8.360 nan 0.000 0.459 364 K N 0.151 120.483 120.400 -0.113 0.000 2.211 364 K HA -0.112 4.208 4.320 0.001 0.000 0.204 364 K C 1.827 178.376 176.600 -0.085 0.000 1.047 364 K CA 1.092 57.337 56.287 -0.070 0.000 0.935 364 K CB -0.131 32.352 32.500 -0.028 0.000 0.728 364 K HN 0.141 nan 8.250 nan 0.000 0.452 365 A N 0.845 123.613 122.820 -0.087 0.000 2.168 365 A HA 0.074 4.394 4.320 0.001 0.000 0.215 365 A C 0.673 178.144 177.584 -0.188 0.000 1.152 365 A CA 0.254 52.254 52.037 -0.062 0.000 0.716 365 A CB -0.272 18.797 19.000 0.116 0.000 0.794 365 A HN 0.218 nan 8.150 nan 0.000 0.465 366 L N 1.726 122.728 121.223 -0.369 0.000 2.410 366 L HA 0.273 4.614 4.340 0.001 0.000 0.273 366 L C 0.624 177.275 176.870 -0.365 0.000 1.144 366 L CA -0.122 54.312 54.840 -0.676 0.000 0.863 366 L CB 0.749 41.866 42.059 -1.571 0.000 1.140 366 L HN 0.367 nan 8.230 nan 0.000 0.463 367 T N -0.521 113.992 114.554 -0.068 0.000 2.908 367 T HA 0.438 4.788 4.350 0.001 0.000 0.290 367 T C -2.179 172.744 174.700 0.372 0.000 1.034 367 T CA -2.042 60.165 62.100 0.177 0.000 1.010 367 T CB 2.230 71.135 68.868 0.062 0.000 1.068 367 T HN 0.208 nan 8.240 nan 0.000 0.481 368 P HA -0.032 nan 4.420 nan 0.000 0.216 368 P C 1.116 178.514 177.300 0.163 0.000 1.150 368 P CA 0.909 64.121 63.100 0.186 0.000 0.837 368 P CB 0.074 31.803 31.700 0.048 0.000 0.786 369 E N -0.921 119.347 120.200 0.113 0.000 2.209 369 E HA -0.127 4.224 4.350 0.001 0.000 0.196 369 E C 1.771 178.432 176.600 0.101 0.000 0.993 369 E CA 1.134 57.584 56.400 0.083 0.000 0.819 369 E CB -1.004 28.725 29.700 0.048 0.000 0.745 369 E HN 0.325 nan 8.360 nan 0.000 0.477 370 M N -0.429 119.251 119.600 0.134 0.000 2.686 370 M HA 0.016 4.496 4.480 0.001 0.000 0.246 370 M C 0.767 177.159 176.300 0.153 0.000 1.096 370 M CA 0.697 56.074 55.300 0.128 0.000 1.076 370 M CB 0.210 32.886 32.600 0.127 0.000 1.504 370 M HN 0.047 nan 8.290 nan 0.000 0.524 371 L N -1.129 120.191 121.223 0.160 0.000 2.728 371 L HA 0.283 4.623 4.340 0.001 0.000 0.238 371 L C 2.255 179.169 176.870 0.073 0.000 1.143 371 L CA -0.348 54.558 54.840 0.111 0.000 0.937 371 L CB -0.414 41.693 42.059 0.080 0.000 1.225 371 L HN 0.178 nan 8.230 nan 0.000 0.507 372 A N 0.219 123.093 122.820 0.090 0.000 1.930 372 A HA -0.152 4.168 4.320 0.001 0.000 0.217 372 A C 2.328 179.946 177.584 0.057 0.000 1.175 372 A CA 2.181 54.258 52.037 0.067 0.000 0.627 372 A CB -0.533 18.496 19.000 0.047 0.000 0.815 372 A HN 0.303 nan 8.150 nan 0.000 0.443 373 T N 0.293 114.894 114.554 0.078 0.000 2.746 373 T HA -0.121 4.230 4.350 0.001 0.000 0.267 373 T C 1.463 176.225 174.700 0.104 0.000 1.039 373 T CA 1.631 63.796 62.100 0.108 0.000 1.142 373 T CB -0.415 68.539 68.868 0.143 0.000 0.866 373 T HN 0.475 nan 8.240 nan 0.000 0.444 374 D N 0.844 121.290 120.400 0.076 0.000 2.178 374 D HA -0.030 4.610 4.640 0.001 0.000 0.201 374 D C 1.937 178.254 176.300 0.028 0.000 0.980 374 D CA 0.425 54.448 54.000 0.039 0.000 0.842 374 D CB -0.420 40.371 40.800 -0.014 0.000 0.948 374 D HN 0.181 nan 8.370 nan 0.000 0.472 375 L N 0.750 121.974 121.223 0.002 0.000 2.046 375 L HA -0.051 4.290 4.340 0.001 0.000 0.208 375 L C 2.090 179.089 176.870 0.215 0.000 1.077 375 L CA 1.519 56.389 54.840 0.051 0.000 0.747 375 L CB -0.724 41.357 42.059 0.036 0.000 0.896 375 L HN -0.019 nan 8.230 nan 0.000 0.432 376 A N -0.678 122.233 122.820 0.152 0.000 1.902 376 A HA -0.160 4.161 4.320 0.001 0.000 0.217 376 A C 2.234 179.908 177.584 0.150 0.000 1.181 376 A CA 1.860 53.983 52.037 0.143 0.000 0.623 376 A CB -0.874 18.188 19.000 0.103 0.000 0.818 376 A HN 0.475 nan 8.150 nan 0.000 0.443 377 L N -1.904 119.404 121.223 0.143 0.000 2.131 377 L HA -0.196 4.144 4.340 0.001 0.000 0.210 377 L C 2.534 179.457 176.870 0.088 0.000 1.092 377 L CA 1.608 56.511 54.840 0.106 0.000 0.759 377 L CB -0.648 41.453 42.059 0.070 0.000 0.903 377 L HN 0.635 nan 8.230 nan 0.000 0.435 378 Y N 0.743 121.047 120.300 0.008 0.000 2.165 378 Y HA -0.261 4.289 4.550 0.001 0.000 0.286 378 Y C 2.274 178.165 175.900 -0.016 0.000 1.155 378 Y CA 1.601 59.701 58.100 0.001 0.000 1.164 378 Y CB -0.116 38.364 38.460 0.034 0.000 0.978 378 Y HN 0.007 nan 8.280 nan 0.000 0.513 379 L N -1.177 120.083 121.223 0.062 0.000 2.056 379 L HA -0.189 4.151 4.340 0.001 0.000 0.207 379 L C 2.402 179.201 176.870 -0.119 0.000 1.078 379 L CA 0.959 55.730 54.840 -0.116 0.000 0.749 379 L CB -0.768 41.226 42.059 -0.108 0.000 0.901 379 L HN 0.123 nan 8.230 nan 0.000 0.433 380 V N 0.145 120.040 119.914 -0.031 0.000 2.332 380 V HA -0.305 3.816 4.120 0.001 0.000 0.248 380 V C 2.529 178.586 176.094 -0.063 0.000 1.055 380 V CA 1.795 64.091 62.300 -0.006 0.000 1.038 380 V CB -0.668 31.196 31.823 0.069 0.000 0.651 380 V HN 0.443 nan 8.190 nan 0.000 0.450 381 R N -0.008 120.428 120.500 -0.107 0.000 2.285 381 R HA -0.074 4.266 4.340 0.001 0.000 0.213 381 R C 1.668 177.866 176.300 -0.171 0.000 1.068 381 R CA 0.726 56.746 56.100 -0.133 0.000 1.004 381 R CB -0.182 30.029 30.300 -0.148 0.000 0.873 381 R HN 0.514 nan 8.270 nan 0.000 0.467 382 K N -0.515 119.756 120.400 -0.215 0.000 2.397 382 K HA 0.137 4.458 4.320 0.001 0.000 0.202 382 K C 0.651 177.174 176.600 -0.129 0.000 1.022 382 K CA 0.447 56.613 56.287 -0.203 0.000 1.141 382 K CB 1.231 33.557 32.500 -0.290 0.000 0.857 382 K HN 0.287 nan 8.250 nan 0.000 0.514 383 G N 1.036 109.778 108.800 -0.097 0.000 2.175 383 G HA2 -0.224 3.736 3.960 0.001 0.000 0.244 383 G HA3 -0.224 3.736 3.960 0.001 0.000 0.244 383 G C 0.138 175.007 174.900 -0.051 0.000 0.982 383 G CA -0.229 44.834 45.100 -0.063 0.000 0.641 383 G HN 0.115 nan 8.290 nan 0.000 0.527 384 V N 2.269 122.145 119.914 -0.064 0.000 2.555 384 V HA 0.375 4.496 4.120 0.001 0.000 0.286 384 V C -1.155 174.936 176.094 -0.005 0.000 1.044 384 V CA -1.118 61.152 62.300 -0.050 0.000 1.026 384 V CB 1.186 32.958 31.823 -0.086 0.000 0.981 384 V HN 0.144 nan 8.190 nan 0.000 0.480 385 P HA -0.002 nan 4.420 nan 0.000 0.268 385 P C 0.585 177.945 177.300 0.101 0.000 1.208 385 P CA -0.113 63.022 63.100 0.059 0.000 0.777 385 P CB 0.355 32.081 31.700 0.042 0.000 0.875 386 F N 3.379 123.331 119.950 0.002 0.000 2.063 386 F HA -0.301 4.226 4.527 0.001 0.000 0.298 386 F C 2.012 177.840 175.800 0.046 0.000 1.109 386 F CA 1.898 59.912 58.000 0.023 0.000 1.212 386 F CB -0.221 38.786 39.000 0.011 0.000 0.973 386 F HN 0.167 nan 8.300 nan 0.000 0.480 387 R N 0.355 120.743 120.500 -0.188 0.000 2.073 387 R HA -0.164 4.177 4.340 0.001 0.000 0.234 387 R C 2.136 178.345 176.300 -0.150 0.000 1.134 387 R CA 1.891 57.826 56.100 -0.275 0.000 0.952 387 R CB -1.201 29.044 30.300 -0.091 0.000 0.850 387 R HN 0.416 nan 8.270 nan 0.000 0.433 388 Q N -0.017 119.740 119.800 -0.072 0.000 2.167 388 Q HA 0.035 4.375 4.340 0.001 0.000 0.202 388 Q C 1.998 177.971 176.000 -0.045 0.000 0.970 388 Q CA 1.641 57.417 55.803 -0.045 0.000 0.855 388 Q CB -0.227 28.491 28.738 -0.033 0.000 0.911 388 Q HN 0.380 nan 8.270 nan 0.000 0.438 389 A N -0.370 122.418 122.820 -0.053 0.000 1.969 389 A HA -0.212 4.109 4.320 0.001 0.000 0.218 389 A C 1.809 179.384 177.584 -0.015 0.000 1.169 389 A CA 1.661 53.679 52.037 -0.033 0.000 0.635 389 A CB -0.636 18.366 19.000 0.003 0.000 0.810 389 A HN 0.513 nan 8.150 nan 0.000 0.445 390 H N -0.355 118.599 119.070 -0.193 0.000 2.326 390 H HA -0.070 4.487 4.556 0.001 0.000 0.301 390 H C 2.151 177.425 175.328 -0.090 0.000 1.081 390 H CA 2.292 58.225 56.048 -0.191 0.000 1.334 390 H CB -0.161 29.353 29.762 -0.413 0.000 1.385 390 H HN 0.359 nan 8.280 nan 0.000 0.504 391 T N 0.278 114.855 114.554 0.038 0.000 2.708 391 T HA -0.166 4.185 4.350 0.001 0.000 0.266 391 T C 2.210 176.912 174.700 0.005 0.000 1.037 391 T CA 1.305 63.419 62.100 0.023 0.000 1.146 391 T CB -0.687 68.193 68.868 0.020 0.000 0.865 391 T HN 0.554 nan 8.240 nan 0.000 0.435 392 A N 0.920 123.754 122.820 0.022 0.000 1.902 392 A HA -0.098 4.223 4.320 0.001 0.000 0.217 392 A C 2.576 180.249 177.584 0.150 0.000 1.181 392 A CA 2.123 54.214 52.037 0.090 0.000 0.623 392 A CB -1.083 17.956 19.000 0.065 0.000 0.818 392 A HN 0.448 nan 8.150 nan 0.000 0.443 393 S N -0.688 115.075 115.700 0.105 0.000 2.382 393 S HA -0.031 4.439 4.470 0.001 0.000 0.228 393 S C 2.019 176.624 174.600 0.008 0.000 1.027 393 S CA 1.644 59.899 58.200 0.092 0.000 0.991 393 S CB -0.645 62.572 63.200 0.030 0.000 0.823 393 S HN 0.707 nan 8.310 nan 0.000 0.469 394 G N 0.957 109.714 108.800 -0.070 0.000 2.422 394 G HA2 -0.167 3.794 3.960 0.001 0.000 0.218 394 G HA3 -0.167 3.794 3.960 0.001 0.000 0.218 394 G C 1.544 176.460 174.900 0.027 0.000 1.146 394 G CA 0.666 45.733 45.100 -0.056 0.000 0.769 394 G HN 0.533 nan 8.290 nan 0.000 0.547 395 K N 0.474 120.897 120.400 0.038 0.000 2.097 395 K HA 0.116 4.436 4.320 0.001 0.000 0.205 395 K C 2.931 179.584 176.600 0.088 0.000 1.050 395 K CA 0.873 57.197 56.287 0.061 0.000 0.938 395 K CB -0.156 32.376 32.500 0.054 0.000 0.718 395 K HN 0.261 nan 8.250 nan 0.000 0.442 396 A N 1.042 123.905 122.820 0.072 0.000 1.898 396 A HA -0.106 4.214 4.320 0.001 0.000 0.216 396 A C 2.352 179.947 177.584 0.018 0.000 1.181 396 A CA 1.246 53.298 52.037 0.025 0.000 0.620 396 A CB -0.603 18.381 19.000 -0.027 0.000 0.819 396 A HN 0.056 nan 8.150 nan 0.000 0.442 397 V N -0.168 119.767 119.914 0.035 0.000 2.343 397 V HA -0.276 3.844 4.120 0.001 0.000 0.247 397 V C 2.570 178.684 176.094 0.033 0.000 1.051 397 V CA 2.218 64.533 62.300 0.024 0.000 1.036 397 V CB -0.957 30.882 31.823 0.027 0.000 0.654 397 V HN 0.797 nan 8.190 nan 0.000 0.451 398 H N -0.225 118.836 119.070 -0.015 0.000 2.357 398 H HA -0.119 4.437 4.556 0.001 0.000 0.301 398 H C 2.210 177.528 175.328 -0.017 0.000 1.082 398 H CA 2.060 58.101 56.048 -0.012 0.000 1.342 398 H CB 0.028 29.787 29.762 -0.006 0.000 1.389 398 H HN 0.351 nan 8.280 nan 0.000 0.511 399 L N 1.333 122.635 121.223 0.132 0.000 2.046 399 L HA -0.063 4.277 4.340 0.001 0.000 0.208 399 L C 2.599 179.447 176.870 -0.037 0.000 1.077 399 L CA 2.128 57.006 54.840 0.063 0.000 0.747 399 L CB -1.211 40.881 42.059 0.055 0.000 0.896 399 L HN 0.277 nan 8.230 nan 0.000 0.432 400 A N -0.873 121.915 122.820 -0.053 0.000 1.930 400 A HA -0.234 4.086 4.320 0.001 0.000 0.217 400 A C 2.337 179.861 177.584 -0.099 0.000 1.175 400 A CA 1.593 53.581 52.037 -0.081 0.000 0.627 400 A CB -0.704 18.244 19.000 -0.088 0.000 0.815 400 A HN 0.638 nan 8.150 nan 0.000 0.443 401 E N -0.120 120.003 120.200 -0.128 0.000 2.077 401 E HA -0.190 4.161 4.350 0.001 0.000 0.193 401 E C 2.101 178.599 176.600 -0.169 0.000 0.989 401 E CA 1.859 58.166 56.400 -0.156 0.000 0.800 401 E CB -0.172 29.403 29.700 -0.208 0.000 0.746 401 E HN 0.753 nan 8.360 nan 0.000 0.452 402 T N -1.236 113.193 114.554 -0.207 0.000 2.867 402 T HA -0.068 4.282 4.350 0.001 0.000 0.268 402 T C 1.699 176.348 174.700 -0.084 0.000 1.057 402 T CA 0.996 63.008 62.100 -0.148 0.000 1.136 402 T CB -0.146 68.652 68.868 -0.117 0.000 0.874 402 T HN 0.062 nan 8.240 nan 0.000 0.466 403 K N 0.861 121.216 120.400 -0.076 0.000 2.418 403 K HA 0.274 4.595 4.320 0.001 0.000 0.195 403 K C 1.488 178.051 176.600 -0.062 0.000 1.035 403 K CA 0.378 56.629 56.287 -0.059 0.000 1.003 403 K CB -0.156 32.309 32.500 -0.058 0.000 0.793 403 K HN 0.562 nan 8.250 nan 0.000 0.494 404 G N 2.509 111.267 108.800 -0.071 0.000 2.160 404 G HA2 -0.249 3.711 3.960 0.001 0.000 0.244 404 G HA3 -0.249 3.711 3.960 0.001 0.000 0.244 404 G C 0.131 174.992 174.900 -0.065 0.000 1.022 404 G CA 0.658 45.720 45.100 -0.064 0.000 0.741 404 G HN 0.446 nan 8.290 nan 0.000 0.508 405 I N -3.084 117.441 120.570 -0.076 0.000 3.264 405 I HA 0.926 5.097 4.170 0.001 0.000 0.309 405 I C 0.466 176.525 176.117 -0.096 0.000 1.099 405 I CA -0.670 60.578 61.300 -0.086 0.000 0.989 405 I CB 1.894 39.836 38.000 -0.097 0.000 1.250 405 I HN 0.185 nan 8.210 nan 0.000 0.478 406 T N -0.618 113.866 114.554 -0.116 0.000 2.928 406 T HA 0.410 4.761 4.350 0.001 0.000 0.284 406 T C 1.361 175.942 174.700 -0.197 0.000 1.008 406 T CA -0.585 61.440 62.100 -0.126 0.000 1.057 406 T CB 1.607 70.408 68.868 -0.112 0.000 1.018 406 T HN 0.740 nan 8.240 nan 0.000 0.493 407 I N 0.423 120.883 120.570 -0.184 0.000 2.315 407 I HA -0.207 3.964 4.170 0.001 0.000 0.251 407 I C 2.047 177.769 176.117 -0.657 0.000 1.125 407 I CA 1.640 62.789 61.300 -0.251 0.000 1.392 407 I CB -0.850 37.119 38.000 -0.051 0.000 1.065 407 I HN 0.713 nan 8.210 nan 0.000 0.424 408 N N 1.557 119.713 118.700 -0.907 0.000 2.573 408 N HA -0.154 4.587 4.740 0.001 0.000 0.187 408 N C 1.214 176.254 175.510 -0.783 0.000 1.107 408 N CA 0.783 52.908 53.050 -1.541 0.000 0.918 408 N CB -0.262 37.656 38.487 -0.948 0.000 0.966 408 N HN 0.450 nan 8.380 nan 0.000 0.448 409 K N 0.501 120.613 120.400 -0.480 0.000 2.353 409 K HA 0.285 4.605 4.320 0.001 0.000 0.195 409 K C 0.516 176.969 176.600 -0.245 0.000 1.031 409 K CA -0.310 55.800 56.287 -0.295 0.000 1.079 409 K CB 0.371 32.750 32.500 -0.202 0.000 0.857 409 K HN 0.230 nan 8.250 nan 0.000 0.535 410 L N 2.882 123.936 121.223 -0.281 0.000 2.490 410 L HA -0.035 4.305 4.340 0.001 0.000 0.274 410 L C 0.954 177.719 176.870 -0.174 0.000 1.201 410 L CA -0.055 54.664 54.840 -0.202 0.000 0.869 410 L CB 0.269 42.202 42.059 -0.209 0.000 1.123 410 L HN 0.093 nan 8.230 nan 0.000 0.484 411 S N 2.656 118.284 115.700 -0.120 0.000 2.600 411 S HA 0.074 4.544 4.470 0.001 0.000 0.265 411 S C 0.845 175.396 174.600 -0.082 0.000 1.325 411 S CA -0.760 57.386 58.200 -0.090 0.000 1.002 411 S CB 1.085 64.249 63.200 -0.061 0.000 0.921 411 S HN 0.562 nan 8.310 nan 0.000 0.554 412 L N 0.960 122.150 121.223 -0.055 0.000 2.083 412 L HA -0.023 4.318 4.340 0.001 0.000 0.209 412 L C 2.518 179.383 176.870 -0.009 0.000 1.083 412 L CA 2.104 56.926 54.840 -0.031 0.000 0.752 412 L CB -1.220 40.837 42.059 -0.003 0.000 0.899 412 L HN 1.020 nan 8.230 nan 0.000 0.433 413 E N -0.785 119.409 120.200 -0.010 0.000 2.051 413 E HA -0.252 4.098 4.350 0.001 0.000 0.192 413 E C 1.680 178.282 176.600 0.003 0.000 0.991 413 E CA 1.475 57.878 56.400 0.004 0.000 0.799 413 E CB -0.023 29.676 29.700 -0.002 0.000 0.748 413 E HN 0.546 nan 8.360 nan 0.000 0.449 414 D N 0.657 121.044 120.400 -0.023 0.000 2.106 414 D HA -0.196 4.445 4.640 0.001 0.000 0.191 414 D C 2.195 178.483 176.300 -0.019 0.000 0.997 414 D CA 1.054 55.037 54.000 -0.028 0.000 0.834 414 D CB -0.348 40.415 40.800 -0.062 0.000 0.956 414 D HN 0.271 nan 8.370 nan 0.000 0.448 415 L N 0.502 121.686 121.223 -0.065 0.000 2.042 415 L HA -0.165 4.175 4.340 0.001 0.000 0.210 415 L C 2.350 179.337 176.870 0.195 0.000 1.076 415 L CA 1.194 55.980 54.840 -0.091 0.000 0.749 415 L CB -0.297 41.549 42.059 -0.355 0.000 0.893 415 L HN -0.035 nan 8.230 nan 0.000 0.432 416 K N -0.230 120.265 120.400 0.157 0.000 2.365 416 K HA -0.091 4.230 4.320 0.001 0.000 0.199 416 K C 2.242 178.918 176.600 0.126 0.000 1.045 416 K CA 1.253 57.646 56.287 0.177 0.000 0.962 416 K CB -0.045 32.525 32.500 0.117 0.000 0.759 416 K HN 0.372 nan 8.250 nan 0.000 0.469 417 S N 0.388 116.146 115.700 0.095 0.000 2.453 417 S HA -0.030 4.440 4.470 0.001 0.000 0.231 417 S C 1.800 176.452 174.600 0.086 0.000 1.005 417 S CA 0.624 58.865 58.200 0.069 0.000 0.949 417 S CB -0.171 63.056 63.200 0.045 0.000 0.774 417 S HN 0.202 nan 8.310 nan 0.000 0.510 418 I N 0.239 120.892 120.570 0.138 0.000 2.927 418 I HA 0.207 4.377 4.170 0.001 0.000 0.268 418 I C 0.863 177.076 176.117 0.160 0.000 1.153 418 I CA 0.346 61.741 61.300 0.159 0.000 1.459 418 I CB 0.431 38.564 38.000 0.221 0.000 1.149 418 I HN 0.306 nan 8.210 nan 0.000 0.443 419 S N -0.437 115.397 115.700 0.223 0.000 2.626 419 S HA 0.336 4.807 4.470 0.001 0.000 0.275 419 S C -2.309 172.342 174.600 0.085 0.000 1.175 419 S CA -0.984 57.252 58.200 0.059 0.000 0.982 419 S CB 1.513 64.576 63.200 -0.228 0.000 1.093 419 S HN -0.229 nan 8.310 nan 0.000 0.472 420 P HA -0.047 nan 4.420 nan 0.000 0.222 420 P C 1.214 178.539 177.300 0.042 0.000 1.147 420 P CA 0.707 63.838 63.100 0.052 0.000 0.790 420 P CB 0.208 31.922 31.700 0.023 0.000 0.780 421 Q N -1.635 118.140 119.800 -0.042 0.000 2.364 421 Q HA -0.020 4.321 4.340 0.001 0.000 0.207 421 Q C 0.235 176.266 176.000 0.051 0.000 0.970 421 Q CA 0.665 56.427 55.803 -0.070 0.000 0.888 421 Q CB -0.472 28.153 28.738 -0.189 0.000 0.951 421 Q HN 0.317 nan 8.270 nan 0.000 0.469 422 F N 0.990 121.043 119.950 0.171 0.000 2.471 422 F HA 0.094 4.622 4.527 0.001 0.000 0.365 422 F C 0.854 176.740 175.800 0.143 0.000 1.095 422 F CA -0.174 57.943 58.000 0.196 0.000 1.174 422 F CB 0.578 39.618 39.000 0.068 0.000 1.105 422 F HN -0.286 nan 8.300 nan 0.000 0.535 423 S N 0.574 116.518 115.700 0.407 0.000 2.767 423 S HA 0.228 4.698 4.470 0.001 0.000 0.300 423 S C 1.084 175.780 174.600 0.160 0.000 1.123 423 S CA -0.262 58.084 58.200 0.244 0.000 0.992 423 S CB 1.507 64.845 63.200 0.231 0.000 1.138 423 S HN 0.632 nan 8.310 nan 0.000 0.550 424 S N 1.045 116.810 115.700 0.107 0.000 2.442 424 S HA -0.152 4.319 4.470 0.001 0.000 0.236 424 S C 1.090 175.724 174.600 0.055 0.000 1.007 424 S CA 1.364 59.600 58.200 0.061 0.000 0.965 424 S CB -0.658 62.570 63.200 0.047 0.000 0.773 424 S HN 0.812 nan 8.310 nan 0.000 0.504 425 D N 1.342 121.803 120.400 0.102 0.000 2.378 425 D HA 0.026 4.667 4.640 0.001 0.000 0.227 425 D C 1.567 177.897 176.300 0.049 0.000 1.012 425 D CA 0.219 54.282 54.000 0.106 0.000 0.905 425 D CB -0.512 40.387 40.800 0.164 0.000 0.895 425 D HN 0.372 nan 8.370 nan 0.000 0.532 426 V N 1.203 121.056 119.914 -0.102 0.000 2.913 426 V HA -0.227 3.893 4.120 0.001 0.000 0.260 426 V C 2.230 178.173 176.094 -0.252 0.000 1.098 426 V CA 2.037 64.045 62.300 -0.486 0.000 1.121 426 V CB -0.741 30.762 31.823 -0.534 0.000 0.714 426 V HN 0.421 nan 8.190 nan 0.000 0.487 427 S N -0.835 114.835 115.700 -0.050 0.000 2.419 427 S HA -0.297 4.173 4.470 0.001 0.000 0.233 427 S C 1.765 176.365 174.600 -0.000 0.000 1.016 427 S CA 1.599 59.840 58.200 0.068 0.000 0.974 427 S CB -0.519 62.709 63.200 0.046 0.000 0.786 427 S HN 0.764 nan 8.310 nan 0.000 0.492 428 Q N 0.444 120.209 119.800 -0.059 0.000 2.364 428 Q HA 0.035 4.375 4.340 0.001 0.000 0.207 428 Q C 2.061 177.971 176.000 -0.150 0.000 0.970 428 Q CA 1.045 56.811 55.803 -0.062 0.000 0.888 428 Q CB -0.346 28.386 28.738 -0.010 0.000 0.951 428 Q HN 0.527 nan 8.270 nan 0.000 0.469 429 V N -0.028 119.690 119.914 -0.328 0.000 2.427 429 V HA -0.176 3.944 4.120 0.001 0.000 0.248 429 V C 0.820 176.566 176.094 -0.579 0.000 1.051 429 V CA 1.281 63.272 62.300 -0.514 0.000 1.048 429 V CB -0.279 31.017 31.823 -0.879 0.000 0.666 429 V HN 0.265 nan 8.190 nan 0.000 0.456 430 F N 2.001 121.842 119.950 -0.181 0.000 2.640 430 F HA 0.361 4.889 4.527 0.001 0.000 0.354 430 F C 0.602 176.206 175.800 -0.326 0.000 1.213 430 F CA 0.096 57.937 58.000 -0.266 0.000 1.314 430 F CB -0.364 38.500 39.000 -0.227 0.000 1.679 430 F HN 0.118 nan 8.300 nan 0.000 0.622 431 N N 1.171 119.705 118.700 -0.276 0.000 2.578 431 N HA 0.096 4.836 4.740 0.001 0.000 0.282 431 N C 0.115 175.484 175.510 -0.235 0.000 1.119 431 N CA -0.409 52.490 53.050 -0.252 0.000 0.948 431 N CB 0.627 39.056 38.487 -0.096 0.000 1.546 431 N HN 0.191 nan 8.380 nan 0.000 0.525 432 F N 1.471 121.444 119.950 0.038 0.000 2.234 432 F HA -0.108 4.420 4.527 0.001 0.000 0.299 432 F C 2.268 178.090 175.800 0.037 0.000 1.087 432 F CA 0.751 58.771 58.000 0.033 0.000 1.340 432 F CB 0.260 39.272 39.000 0.019 0.000 1.031 432 F HN 0.309 nan 8.300 nan 0.000 0.500 433 V N 0.129 120.151 119.914 0.180 0.000 2.358 433 V HA -0.268 3.853 4.120 0.001 0.000 0.246 433 V C 1.963 178.113 176.094 0.094 0.000 1.047 433 V CA 1.793 64.167 62.300 0.124 0.000 1.035 433 V CB -0.651 31.225 31.823 0.088 0.000 0.658 433 V HN 0.302 nan 8.190 nan 0.000 0.452 434 N N 0.076 118.808 118.700 0.054 0.000 2.166 434 N HA -0.151 4.589 4.740 0.001 0.000 0.186 434 N C 2.139 177.678 175.510 0.048 0.000 1.019 434 N CA 1.718 54.784 53.050 0.028 0.000 0.856 434 N CB -0.580 37.898 38.487 -0.014 0.000 0.993 434 N HN 0.430 nan 8.380 nan 0.000 0.426 435 S N 0.378 116.124 115.700 0.077 0.000 2.353 435 S HA -0.128 4.342 4.470 0.001 0.000 0.222 435 S C 2.101 176.843 174.600 0.236 0.000 1.035 435 S CA 1.858 60.140 58.200 0.136 0.000 1.025 435 S CB -0.454 62.860 63.200 0.190 0.000 0.902 435 S HN 0.238 nan 8.310 nan 0.000 0.440 436 V N 0.047 120.104 119.914 0.238 0.000 2.515 436 V HA 0.033 4.154 4.120 0.001 0.000 0.250 436 V C 2.031 178.294 176.094 0.281 0.000 1.058 436 V CA 1.744 64.220 62.300 0.292 0.000 1.064 436 V CB -0.966 30.961 31.823 0.175 0.000 0.675 436 V HN 0.310 nan 8.190 nan 0.000 0.461 437 E N 0.637 120.927 120.200 0.151 0.000 2.472 437 E HA -0.145 4.206 4.350 0.001 0.000 0.200 437 E C 2.184 178.798 176.600 0.023 0.000 1.046 437 E CA 0.869 57.322 56.400 0.089 0.000 0.871 437 E CB -0.209 29.524 29.700 0.055 0.000 0.806 437 E HN 0.791 nan 8.360 nan 0.000 0.533 438 Q N -0.618 119.151 119.800 -0.051 0.000 2.230 438 Q HA -0.102 4.239 4.340 0.001 0.000 0.202 438 Q C 0.206 175.969 176.000 -0.395 0.000 0.963 438 Q CA 0.677 56.312 55.803 -0.280 0.000 0.866 438 Q CB -0.033 28.395 28.738 -0.517 0.000 0.931 438 Q HN 0.372 nan 8.270 nan 0.000 0.452 439 Y N 0.791 121.106 120.300 0.024 0.000 2.830 439 Y HA 0.030 4.580 4.550 0.001 0.000 0.371 439 Y C 1.467 177.376 175.900 0.014 0.000 1.246 439 Y CA 0.190 58.302 58.100 0.020 0.000 1.890 439 Y CB -0.421 38.053 38.460 0.024 0.000 1.995 439 Y HN 0.107 nan 8.280 nan 0.000 0.430 440 T N -2.745 111.838 114.554 0.049 0.000 3.054 440 T HA 0.220 4.570 4.350 0.001 0.000 0.259 440 T C 1.174 175.897 174.700 0.038 0.000 1.092 440 T CA 0.171 62.295 62.100 0.040 0.000 1.121 440 T CB -0.046 68.826 68.868 0.008 0.000 0.912 440 T HN 0.406 nan 8.240 nan 0.000 0.489 441 A N 3.016 125.858 122.820 0.038 0.000 2.531 441 A HA 0.436 4.756 4.320 0.001 0.000 0.236 441 A C 0.671 178.280 177.584 0.043 0.000 1.062 441 A CA -0.550 51.506 52.037 0.033 0.000 0.760 441 A CB -0.226 18.794 19.000 0.034 0.000 0.995 441 A HN 0.449 nan 8.150 nan 0.000 0.501 442 L N 1.022 122.261 121.223 0.026 0.000 2.678 442 L HA 0.034 4.374 4.340 0.001 0.000 0.285 442 L C 1.506 178.390 176.870 0.022 0.000 1.233 442 L CA 2.083 56.935 54.840 0.020 0.000 0.920 442 L CB -1.011 41.054 42.059 0.010 0.000 1.176 442 L HN 1.647 nan 8.230 nan 0.000 0.495 443 A N 2.500 125.330 122.820 0.018 0.000 3.410 443 A HA -0.125 4.196 4.320 0.001 0.000 0.253 443 A C 0.969 178.563 177.584 0.016 0.000 1.178 443 A CA 0.757 52.798 52.037 0.006 0.000 1.334 443 A CB -2.074 16.924 19.000 -0.004 0.000 1.097 443 A HN 0.969 nan 8.150 nan 0.000 0.921 444 G N -1.588 107.245 108.800 0.054 0.000 2.621 444 G HA2 0.434 4.394 3.960 0.001 0.000 0.271 444 G HA3 0.434 4.394 3.960 0.001 0.000 0.271 444 G C 0.783 175.723 174.900 0.067 0.000 1.236 444 G CA 0.884 46.038 45.100 0.089 0.000 0.958 444 G HN 0.918 nan 8.290 nan 0.000 0.512 445 T N -0.495 114.094 114.554 0.059 0.000 3.129 445 T HA 0.384 4.735 4.350 0.001 0.000 0.251 445 T C 1.297 176.061 174.700 0.107 0.000 1.117 445 T CA 0.627 62.752 62.100 0.042 0.000 1.034 445 T CB -0.836 68.006 68.868 -0.043 0.000 0.968 445 T HN 0.803 nan 8.240 nan 0.000 0.526 446 A N 0.992 123.906 122.820 0.157 0.000 2.466 446 A HA 0.304 4.624 4.320 0.001 0.000 0.238 446 A C 1.535 179.167 177.584 0.081 0.000 1.074 446 A CA -0.088 52.026 52.037 0.128 0.000 0.774 446 A CB 0.149 19.216 19.000 0.112 0.000 1.015 446 A HN 0.522 nan 8.150 nan 0.000 0.498 447 K N 0.887 121.328 120.400 0.070 0.000 2.063 447 K HA -0.185 4.135 4.320 0.001 0.000 0.208 447 K C 2.161 178.786 176.600 0.042 0.000 1.048 447 K CA 2.121 58.440 56.287 0.054 0.000 0.928 447 K CB -0.190 32.341 32.500 0.051 0.000 0.713 447 K HN 0.881 nan 8.250 nan 0.000 0.442 448 S N -0.435 115.289 115.700 0.039 0.000 2.382 448 S HA -0.152 4.319 4.470 0.001 0.000 0.228 448 S C 2.115 176.731 174.600 0.028 0.000 1.027 448 S CA 1.583 59.801 58.200 0.030 0.000 0.991 448 S CB -0.373 62.843 63.200 0.026 0.000 0.823 448 S HN 0.342 nan 8.310 nan 0.000 0.469 449 S N 0.705 116.426 115.700 0.036 0.000 2.387 449 S HA 0.001 4.472 4.470 0.001 0.000 0.226 449 S C 1.829 176.442 174.600 0.021 0.000 1.026 449 S CA 1.032 59.250 58.200 0.031 0.000 0.972 449 S CB -0.600 62.628 63.200 0.048 0.000 0.814 449 S HN 0.413 nan 8.310 nan 0.000 0.477 450 V N 1.617 121.546 119.914 0.024 0.000 2.358 450 V HA -0.123 3.998 4.120 0.001 0.000 0.246 450 V C 2.688 178.788 176.094 0.009 0.000 1.047 450 V CA 2.260 64.568 62.300 0.013 0.000 1.035 450 V CB -1.365 30.471 31.823 0.021 0.000 0.658 450 V HN 0.547 nan 8.190 nan 0.000 0.452 451 T N -0.416 114.147 114.554 0.016 0.000 2.684 451 T HA -0.218 4.133 4.350 0.001 0.000 0.267 451 T C 1.970 176.674 174.700 0.007 0.000 1.036 451 T CA 2.192 64.300 62.100 0.013 0.000 1.148 451 T CB -0.404 68.474 68.868 0.017 0.000 0.863 451 T HN 0.533 nan 8.240 nan 0.000 0.436 452 T N 2.199 116.758 114.554 0.007 0.000 2.708 452 T HA -0.124 4.227 4.350 0.001 0.000 0.266 452 T C 2.179 176.877 174.700 -0.003 0.000 1.037 452 T CA 1.194 63.296 62.100 0.003 0.000 1.146 452 T CB -0.319 68.552 68.868 0.005 0.000 0.865 452 T HN 0.484 nan 8.240 nan 0.000 0.435 453 Q N 0.214 120.010 119.800 -0.007 0.000 2.096 453 Q HA -0.060 4.280 4.340 0.001 0.000 0.204 453 Q C 2.351 178.340 176.000 -0.019 0.000 0.982 453 Q CA 1.342 57.134 55.803 -0.017 0.000 0.850 453 Q CB -0.419 28.303 28.738 -0.026 0.000 0.901 453 Q HN 0.527 nan 8.270 nan 0.000 0.422 454 I N 0.724 121.285 120.570 -0.015 0.000 2.361 454 I HA -0.269 3.901 4.170 0.001 0.000 0.251 454 I C 1.931 178.043 176.117 -0.009 0.000 1.133 454 I CA 1.213 62.505 61.300 -0.014 0.000 1.413 454 I CB -0.200 37.797 38.000 -0.007 0.000 1.073 454 I HN 0.237 nan 8.210 nan 0.000 0.424 455 E N 0.429 120.626 120.200 -0.005 0.000 2.072 455 E HA -0.240 4.111 4.350 0.001 0.000 0.191 455 E C 2.210 178.806 176.600 -0.006 0.000 0.985 455 E CA 0.981 57.379 56.400 -0.003 0.000 0.801 455 E CB -0.087 29.613 29.700 -0.001 0.000 0.750 455 E HN 0.553 nan 8.360 nan 0.000 0.452 456 Q N 0.099 119.894 119.800 -0.009 0.000 2.119 456 Q HA -0.143 4.197 4.340 0.001 0.000 0.201 456 Q C 2.023 178.015 176.000 -0.014 0.000 0.972 456 Q CA 0.791 56.588 55.803 -0.011 0.000 0.847 456 Q CB 0.053 28.783 28.738 -0.013 0.000 0.903 456 Q HN 0.153 nan 8.270 nan 0.000 0.433 457 L N 0.384 121.597 121.223 -0.017 0.000 2.072 457 L HA -0.126 4.214 4.340 0.001 0.000 0.205 457 L C 2.395 179.257 176.870 -0.014 0.000 1.079 457 L CA 1.634 56.462 54.840 -0.020 0.000 0.752 457 L CB -0.612 41.430 42.059 -0.028 0.000 0.906 457 L HN 0.111 nan 8.230 nan 0.000 0.436 458 R N -0.078 120.416 120.500 -0.011 0.000 2.091 458 R HA -0.154 4.187 4.340 0.001 0.000 0.238 458 R C 2.000 178.297 176.300 -0.006 0.000 1.136 458 R CA 1.467 57.563 56.100 -0.006 0.000 0.959 458 R CB -0.319 29.978 30.300 -0.004 0.000 0.856 458 R HN 0.263 nan 8.270 nan 0.000 0.437 459 E N 0.654 120.851 120.200 -0.006 0.000 2.072 459 E HA -0.151 4.199 4.350 0.001 0.000 0.191 459 E C 2.128 178.724 176.600 -0.006 0.000 0.985 459 E CA 1.229 57.625 56.400 -0.005 0.000 0.801 459 E CB -0.274 29.423 29.700 -0.005 0.000 0.750 459 E HN 0.420 nan 8.360 nan 0.000 0.452 460 L N 0.218 121.436 121.223 -0.008 0.000 2.017 460 L HA -0.172 4.168 4.340 0.001 0.000 0.208 460 L C 2.679 179.546 176.870 -0.006 0.000 1.073 460 L CA 1.079 55.915 54.840 -0.007 0.000 0.745 460 L CB -0.338 41.715 42.059 -0.010 0.000 0.894 460 L HN 0.164 nan 8.230 nan 0.000 0.432 461 M N -0.707 118.890 119.600 -0.006 0.000 2.108 461 M HA -0.256 4.225 4.480 0.001 0.000 0.261 461 M C 2.262 178.559 176.300 -0.005 0.000 1.066 461 M CA 1.802 57.099 55.300 -0.004 0.000 1.107 461 M CB -0.379 32.219 32.600 -0.004 0.000 1.356 461 M HN 0.128 nan 8.290 nan 0.000 0.406 462 K N 0.932 121.329 120.400 -0.005 0.000 2.009 462 K HA -0.188 4.132 4.320 0.001 0.000 0.210 462 K C 1.881 178.477 176.600 -0.008 0.000 1.049 462 K CA 1.795 58.078 56.287 -0.006 0.000 0.929 462 K CB -0.252 32.245 32.500 -0.005 0.000 0.714 462 K HN 0.442 nan 8.250 nan 0.000 0.440 463 K N 0.741 121.136 120.400 -0.007 0.000 2.288 463 K HA -0.127 4.194 4.320 0.001 0.000 0.201 463 K C 1.916 178.511 176.600 -0.010 0.000 1.048 463 K CA 1.136 57.419 56.287 -0.008 0.000 0.956 463 K CB -0.015 32.480 32.500 -0.007 0.000 0.746 463 K HN 0.189 nan 8.250 nan 0.000 0.461 464 Q N 1.207 121.002 119.800 -0.009 0.000 2.123 464 Q HA -0.038 4.302 4.340 0.001 0.000 0.196 464 Q C 2.118 178.109 176.000 -0.016 0.000 0.958 464 Q CA 1.013 56.810 55.803 -0.011 0.000 0.841 464 Q CB 0.061 28.796 28.738 -0.005 0.000 0.915 464 Q HN 0.319 nan 8.270 nan 0.000 0.455 465 K N 1.335 121.727 120.400 -0.014 0.000 2.026 465 K HA -0.235 4.085 4.320 0.001 0.000 0.208 465 K C 1.932 178.520 176.600 -0.021 0.000 1.048 465 K CA 1.409 57.685 56.287 -0.018 0.000 0.929 465 K CB -0.007 32.484 32.500 -0.015 0.000 0.713 465 K HN 0.142 nan 8.250 nan 0.000 0.439 466 E N 0.295 120.485 120.200 -0.017 0.000 2.049 466 E HA -0.282 4.068 4.350 0.001 0.000 0.198 466 E C 2.119 178.707 176.600 -0.020 0.000 1.007 466 E CA 2.025 58.415 56.400 -0.017 0.000 0.809 466 E CB -0.194 29.498 29.700 -0.013 0.000 0.749 466 E HN 0.510 nan 8.360 nan 0.000 0.450 467 Q N 0.410 120.198 119.800 -0.020 0.000 2.576 467 Q HA 0.155 4.495 4.340 0.001 0.000 0.218 467 Q C 0.782 176.764 176.000 -0.030 0.000 0.983 467 Q CA 1.572 57.361 55.803 -0.023 0.000 0.920 467 Q CB -1.073 27.652 28.738 -0.021 0.000 0.973 467 Q HN 0.659 nan 8.270 nan 0.000 0.528 468 A N 0.000 122.801 122.820 -0.032 0.000 2.254 468 A HA 0.000 4.320 4.320 0.001 0.000 0.244 468 A CA 0.000 52.012 52.037 -0.041 0.000 0.836 468 A CB 0.000 18.973 19.000 -0.045 0.000 0.831 468 A HN 0.000 nan 8.150 nan 0.000 0.486