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 1w5b_1_A DATA FIRST_RESID 22 DATA SEQUENCE LSPEDKELLE YLQQTKAKIT VVGCGGAGNN TITRLKMEGI EGAKTVAINT DATA SEQUENCE DAQQLIRTKA DKKILIGKKL TRGLGAGGNP KIGEEAAKES AEEIKAAIQD DATA SEQUENCE SDMVFITCGL GGGTGTGSAP VVAEISKKIG ALTVAVVTLP FVMEGKVRMK DATA SEQUENCE NAMEGLERLK QHTDTLVVIP NEKLFEIVPN MPLKLAFKVA DEVLINAVKG DATA SEQUENCE LVELITKDGL INVDFADVKA VMNNGGLAMI GIGESDSEKR AKEAVSMALN DATA SEQUENCE SPLLDVDIDG ATGALIHVMG PEDLTLEEAR EVVATVSSRL DPNATIIWGA DATA SEQUENCE TIDENLENTV RVLLVITGVQ SRIEFTDTGL KRKK 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 22 L HA 0.000 nan 4.340 nan 0.000 0.249 22 L C 0.000 176.872 176.870 0.004 0.000 1.165 22 L CA 0.000 54.842 54.840 0.004 0.000 0.813 22 L CB 0.000 42.062 42.059 0.005 0.000 0.961 23 S N -1.064 114.639 115.700 0.004 0.000 2.739 23 S HA 0.710 5.179 4.470 -0.000 0.000 0.306 23 S C -2.278 172.326 174.600 0.007 0.000 1.115 23 S CA -1.251 56.952 58.200 0.005 0.000 0.985 23 S CB 2.278 65.480 63.200 0.003 0.000 1.133 23 S HN 0.468 nan 8.310 nan 0.000 0.541 24 P HA -0.137 nan 4.420 nan 0.000 0.214 24 P C 1.309 178.616 177.300 0.012 0.000 1.163 24 P CA 1.489 64.594 63.100 0.009 0.000 0.889 24 P CB 0.011 31.716 31.700 0.008 0.000 0.790 25 E N -0.651 119.554 120.200 0.009 0.000 2.023 25 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 25 E C 1.763 178.370 176.600 0.011 0.000 1.003 25 E CA 1.520 57.926 56.400 0.009 0.000 0.809 25 E CB -0.558 29.143 29.700 0.003 0.000 0.755 25 E HN 0.262 nan 8.360 nan 0.000 0.449 26 D N 0.495 120.900 120.400 0.008 0.000 2.104 26 D HA -0.148 4.492 4.640 -0.000 0.000 0.194 26 D C 1.794 178.104 176.300 0.017 0.000 0.994 26 D CA 1.093 55.098 54.000 0.008 0.000 0.830 26 D CB -0.186 40.617 40.800 0.005 0.000 0.959 26 D HN 0.079 nan 8.370 nan 0.000 0.452 27 K N 0.533 120.943 120.400 0.017 0.000 2.074 27 K HA -0.171 4.149 4.320 -0.000 0.000 0.209 27 K C 2.104 178.724 176.600 0.032 0.000 1.048 27 K CA 1.184 57.483 56.287 0.020 0.000 0.926 27 K CB -0.107 32.403 32.500 0.016 0.000 0.713 27 K HN 0.301 nan 8.250 nan 0.000 0.444 28 E N 0.910 121.132 120.200 0.037 0.000 2.017 28 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 28 E C 2.184 178.838 176.600 0.090 0.000 0.997 28 E CA 1.101 57.535 56.400 0.057 0.000 0.804 28 E CB -0.208 29.525 29.700 0.055 0.000 0.757 28 E HN 0.198 nan 8.360 nan 0.000 0.448 29 L N 1.184 122.447 121.223 0.067 0.000 1.990 29 L HA -0.227 4.112 4.340 -0.000 0.000 0.213 29 L C 2.674 179.600 176.870 0.093 0.000 1.072 29 L CA 0.812 55.691 54.840 0.065 0.000 0.755 29 L CB -0.590 41.470 42.059 0.003 0.000 0.889 29 L HN 0.306 nan 8.230 nan 0.000 0.432 30 L N 0.375 121.633 121.223 0.059 0.000 2.043 30 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 30 L C 2.364 179.276 176.870 0.070 0.000 1.075 30 L CA 2.169 57.041 54.840 0.053 0.000 0.752 30 L CB -0.784 41.293 42.059 0.030 0.000 0.891 30 L HN 0.469 nan 8.230 nan 0.000 0.432 31 E N -1.358 118.885 120.200 0.071 0.000 2.110 31 E HA -0.296 4.054 4.350 -0.000 0.000 0.193 31 E C 2.161 178.807 176.600 0.077 0.000 0.988 31 E CA 1.239 57.671 56.400 0.054 0.000 0.804 31 E CB -0.320 29.402 29.700 0.037 0.000 0.745 31 E HN 0.575 nan 8.360 nan 0.000 0.458 32 Y N 1.133 121.432 120.300 -0.001 0.000 2.145 32 Y HA -0.187 4.363 4.550 -0.001 0.000 0.286 32 Y C 2.004 177.904 175.900 -0.001 0.000 1.145 32 Y CA 1.539 59.639 58.100 0.000 0.000 1.148 32 Y CB -0.325 38.136 38.460 0.002 0.000 0.981 32 Y HN 0.036 nan 8.280 nan 0.000 0.507 33 L N 0.009 121.393 121.223 0.269 0.000 2.187 33 L HA -0.270 4.069 4.340 -0.000 0.000 0.213 33 L C 2.491 179.412 176.870 0.086 0.000 1.100 33 L CA 1.593 56.529 54.840 0.160 0.000 0.765 33 L CB -0.557 41.552 42.059 0.084 0.000 0.904 33 L HN 0.285 nan 8.230 nan 0.000 0.437 34 Q N 0.415 120.249 119.800 0.057 0.000 1.993 34 Q HA -0.279 4.061 4.340 -0.000 0.000 0.202 34 Q C 2.163 178.160 176.000 -0.005 0.000 0.984 34 Q CA 2.147 57.959 55.803 0.015 0.000 0.837 34 Q CB -0.296 28.444 28.738 0.003 0.000 0.902 34 Q HN 0.473 nan 8.270 nan 0.000 0.423 35 Q N -0.372 119.407 119.800 -0.035 0.000 2.020 35 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 35 Q C 0.378 176.359 176.000 -0.032 0.000 0.982 35 Q CA 1.487 57.249 55.803 -0.068 0.000 0.838 35 Q CB -0.425 28.214 28.738 -0.164 0.000 0.899 35 Q HN 0.399 nan 8.270 nan 0.000 0.423 36 T N 0.379 114.941 114.554 0.014 0.000 2.802 36 T HA 0.191 4.541 4.350 -0.000 0.000 0.305 36 T C -0.245 174.481 174.700 0.043 0.000 1.053 36 T CA -0.072 62.076 62.100 0.079 0.000 1.058 36 T CB 0.749 69.755 68.868 0.231 0.000 0.988 36 T HN 0.216 nan 8.240 nan 0.000 0.539 37 K N 0.002 120.414 120.400 0.020 0.000 3.576 37 K HA 0.524 4.844 4.320 -0.000 0.000 0.461 37 K C -1.845 174.668 176.600 -0.145 0.000 0.855 37 K CA -0.186 56.073 56.287 -0.046 0.000 0.746 37 K CB 0.563 33.032 32.500 -0.052 0.000 1.444 37 K HN 0.583 nan 8.250 nan 0.000 0.568 38 A N 2.189 124.863 122.820 -0.244 0.000 3.422 38 A HA 0.335 4.655 4.320 -0.000 0.000 0.271 38 A C -1.066 176.327 177.584 -0.318 0.000 1.104 38 A CA -0.474 51.247 52.037 -0.526 0.000 0.899 38 A CB 0.243 18.785 19.000 -0.763 0.000 1.309 38 A HN 0.204 nan 8.150 nan 0.000 0.580 39 K N 1.592 121.890 120.400 -0.170 0.000 2.338 39 K HA 0.397 4.717 4.320 -0.000 0.000 0.290 39 K C -0.426 176.154 176.600 -0.033 0.000 1.069 39 K CA 0.352 56.592 56.287 -0.079 0.000 0.941 39 K CB 0.469 32.948 32.500 -0.035 0.000 1.023 39 K HN 0.639 nan 8.250 nan 0.000 0.477 40 I N 2.107 122.672 120.570 -0.008 0.000 2.404 40 I HA 0.246 4.415 4.170 -0.000 0.000 0.293 40 I C 0.050 176.219 176.117 0.087 0.000 0.992 40 I CA -0.584 60.768 61.300 0.087 0.000 1.149 40 I CB 2.042 40.105 38.000 0.105 0.000 1.315 40 I HN 0.304 nan 8.210 nan 0.000 0.446 41 T N 5.058 119.698 114.554 0.143 0.000 2.848 41 T HA 0.465 4.815 4.350 -0.000 0.000 0.285 41 T C -0.468 174.331 174.700 0.166 0.000 0.995 41 T CA -0.480 61.685 62.100 0.109 0.000 0.970 41 T CB 2.217 71.131 68.868 0.077 0.000 0.976 41 T HN 0.169 nan 8.240 nan 0.000 0.441 42 V N 3.573 123.549 119.914 0.104 0.000 2.398 42 V HA 0.498 4.618 4.120 -0.000 0.000 0.286 42 V C -0.285 175.858 176.094 0.081 0.000 1.026 42 V CA -0.700 61.668 62.300 0.114 0.000 0.868 42 V CB 1.651 33.489 31.823 0.025 0.000 0.982 42 V HN 0.714 nan 8.190 nan 0.000 0.443 43 V N 4.046 124.018 119.914 0.096 0.000 2.378 43 V HA 0.667 4.787 4.120 -0.000 0.000 0.288 43 V C 0.672 176.798 176.094 0.053 0.000 1.016 43 V CA -0.377 61.959 62.300 0.061 0.000 0.840 43 V CB 1.651 33.506 31.823 0.054 0.000 0.994 43 V HN 0.944 nan 8.190 nan 0.000 0.431 44 G N 3.412 112.233 108.800 0.034 0.000 2.335 44 G HA2 0.497 4.457 3.960 -0.000 0.000 0.314 44 G HA3 0.497 4.457 3.960 -0.000 0.000 0.314 44 G C -0.421 174.490 174.900 0.017 0.000 1.129 44 G CA -0.275 44.840 45.100 0.026 0.000 0.912 44 G HN 0.768 nan 8.290 nan 0.000 0.443 45 C N 1.760 121.070 119.300 0.016 0.000 2.355 45 C HA 0.965 5.425 4.460 -0.000 0.000 0.332 45 C C 1.027 176.018 174.990 0.003 0.000 1.255 45 C CA 0.273 59.296 59.018 0.009 0.000 1.792 45 C CB 0.212 27.958 27.740 0.010 0.000 2.300 45 C HN 1.538 nan 8.230 nan 0.000 0.515 46 G N 2.393 111.192 108.800 -0.003 0.000 2.828 46 G HA2 0.190 4.150 3.960 -0.000 0.000 0.463 46 G HA3 0.190 4.150 3.960 -0.000 0.000 0.463 46 G C 0.727 175.618 174.900 -0.015 0.000 1.394 46 G CA -0.037 45.057 45.100 -0.009 0.000 0.862 46 G HN 1.368 nan 8.290 nan 0.000 0.540 47 G N -0.303 108.481 108.800 -0.026 0.000 2.459 47 G HA2 0.200 4.160 3.960 -0.000 0.000 0.217 47 G HA3 0.200 4.160 3.960 -0.000 0.000 0.217 47 G C 2.215 177.093 174.900 -0.037 0.000 1.183 47 G CA 3.179 48.257 45.100 -0.036 0.000 0.776 47 G HN 2.066 nan 8.290 nan 0.000 0.552 48 A N 0.761 123.556 122.820 -0.042 0.000 1.902 48 A HA 0.146 4.465 4.320 -0.000 0.000 0.217 48 A C 2.708 180.287 177.584 -0.008 0.000 1.181 48 A CA 2.163 54.182 52.037 -0.030 0.000 0.623 48 A CB -1.062 17.924 19.000 -0.024 0.000 0.818 48 A HN 0.574 nan 8.150 nan 0.000 0.443 49 G N -0.117 108.680 108.800 -0.004 0.000 2.418 49 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.217 49 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.217 49 G C 1.386 176.288 174.900 0.004 0.000 1.158 49 G CA 1.083 46.187 45.100 0.006 0.000 0.771 49 G HN 0.531 nan 8.290 nan 0.000 0.545 50 N N 0.887 119.585 118.700 -0.003 0.000 2.142 50 N HA -0.099 4.640 4.740 -0.000 0.000 0.186 50 N C 1.994 177.501 175.510 -0.004 0.000 1.023 50 N CA 1.207 54.255 53.050 -0.003 0.000 0.852 50 N CB -0.531 37.951 38.487 -0.008 0.000 0.998 50 N HN 0.349 nan 8.380 nan 0.000 0.424 51 N N 0.232 118.928 118.700 -0.007 0.000 2.120 51 N HA -0.091 4.649 4.740 -0.000 0.000 0.188 51 N C 1.318 176.829 175.510 0.002 0.000 1.024 51 N CA 1.603 54.650 53.050 -0.004 0.000 0.852 51 N CB -0.337 38.145 38.487 -0.008 0.000 1.003 51 N HN 0.110 nan 8.380 nan 0.000 0.424 52 T N 0.932 115.489 114.554 0.005 0.000 2.746 52 T HA -0.038 4.312 4.350 -0.000 0.000 0.267 52 T C 1.778 176.478 174.700 0.001 0.000 1.039 52 T CA 0.801 62.905 62.100 0.006 0.000 1.142 52 T CB -0.108 68.766 68.868 0.011 0.000 0.866 52 T HN 0.172 nan 8.240 nan 0.000 0.444 53 I N 1.750 122.321 120.570 0.002 0.000 2.226 53 I HA -0.147 4.022 4.170 -0.000 0.000 0.245 53 I C 2.644 178.759 176.117 -0.004 0.000 1.100 53 I CA 1.493 62.793 61.300 -0.001 0.000 1.374 53 I CB -1.686 36.316 38.000 0.003 0.000 1.057 53 I HN 0.272 nan 8.210 nan 0.000 0.413 54 T N 0.762 115.315 114.554 -0.003 0.000 2.665 54 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 54 T C 2.127 176.824 174.700 -0.004 0.000 1.035 54 T CA 1.239 63.337 62.100 -0.003 0.000 1.151 54 T CB -0.189 68.677 68.868 -0.003 0.000 0.862 54 T HN 0.223 nan 8.240 nan 0.000 0.438 55 R N 0.502 121.000 120.500 -0.003 0.000 2.070 55 R HA 0.003 4.342 4.340 -0.000 0.000 0.233 55 R C 2.547 178.841 176.300 -0.009 0.000 1.137 55 R CA 1.193 57.291 56.100 -0.004 0.000 0.945 55 R CB -0.853 29.446 30.300 -0.002 0.000 0.845 55 R HN 0.420 nan 8.270 nan 0.000 0.430 56 L N 0.634 121.849 121.223 -0.012 0.000 2.042 56 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 56 L C 2.576 179.435 176.870 -0.018 0.000 1.076 56 L CA 1.401 56.229 54.840 -0.020 0.000 0.749 56 L CB -0.479 41.564 42.059 -0.027 0.000 0.893 56 L HN 0.078 nan 8.230 nan 0.000 0.432 57 K N 0.545 120.937 120.400 -0.013 0.000 2.026 57 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 57 K C 2.056 178.650 176.600 -0.010 0.000 1.048 57 K CA 1.705 57.985 56.287 -0.011 0.000 0.929 57 K CB -0.204 32.291 32.500 -0.008 0.000 0.713 57 K HN 0.115 nan 8.250 nan 0.000 0.439 58 M N 0.072 119.667 119.600 -0.008 0.000 2.067 58 M HA -0.130 4.350 4.480 -0.000 0.000 0.260 58 M C 1.854 178.149 176.300 -0.008 0.000 1.069 58 M CA 1.846 57.142 55.300 -0.007 0.000 1.117 58 M CB -0.278 32.319 32.600 -0.005 0.000 1.334 58 M HN 0.152 nan 8.290 nan 0.000 0.407 59 E N 0.138 120.332 120.200 -0.009 0.000 2.482 59 E HA 0.092 4.441 4.350 -0.000 0.000 0.196 59 E C 0.314 176.907 176.600 -0.012 0.000 1.047 59 E CA 0.090 56.484 56.400 -0.010 0.000 0.869 59 E CB -0.053 29.640 29.700 -0.011 0.000 0.836 59 E HN 0.608 nan 8.360 nan 0.000 0.520 60 G N 2.304 111.096 108.800 -0.013 0.000 3.341 60 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.374 60 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.374 60 G C -0.390 174.498 174.900 -0.020 0.000 0.885 60 G CA -0.096 44.995 45.100 -0.015 0.000 0.740 60 G HN 0.292 nan 8.290 nan 0.000 0.390 61 I N 1.285 121.840 120.570 -0.026 0.000 2.385 61 I HA 0.517 4.687 4.170 -0.000 0.000 0.294 61 I C 0.670 176.766 176.117 -0.035 0.000 0.988 61 I CA -0.897 60.381 61.300 -0.036 0.000 1.265 61 I CB 0.974 38.942 38.000 -0.053 0.000 1.388 61 I HN 0.615 nan 8.210 nan 0.000 0.480 62 E N 5.080 125.260 120.200 -0.033 0.000 2.316 62 E HA 0.289 4.639 4.350 -0.000 0.000 0.275 62 E C 0.733 177.308 176.600 -0.041 0.000 1.029 62 E CA 0.594 56.975 56.400 -0.031 0.000 0.871 62 E CB 0.741 30.428 29.700 -0.020 0.000 1.022 62 E HN 0.912 nan 8.360 nan 0.000 0.418 63 G N 2.776 111.553 108.800 -0.038 0.000 2.341 63 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.292 63 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.292 63 G C -0.130 174.743 174.900 -0.046 0.000 1.021 63 G CA 0.485 45.558 45.100 -0.045 0.000 0.905 63 G HN 0.683 nan 8.290 nan 0.000 0.508 64 A N -0.817 121.980 122.820 -0.040 0.000 2.486 64 A HA 0.804 5.123 4.320 -0.000 0.000 0.300 64 A C -0.147 177.425 177.584 -0.020 0.000 1.048 64 A CA -0.123 51.896 52.037 -0.031 0.000 0.696 64 A CB 1.389 20.355 19.000 -0.057 0.000 1.278 64 A HN 0.644 nan 8.150 nan 0.000 0.405 65 K N 1.174 121.572 120.400 -0.004 0.000 2.143 65 K HA 0.568 4.887 4.320 -0.000 0.000 0.272 65 K C -0.319 176.285 176.600 0.007 0.000 1.001 65 K CA -0.013 56.274 56.287 0.000 0.000 0.915 65 K CB 0.793 33.296 32.500 0.006 0.000 1.047 65 K HN 0.797 nan 8.250 nan 0.000 0.458 66 T N -0.134 114.421 114.554 0.003 0.000 2.824 66 T HA 0.500 4.850 4.350 -0.000 0.000 0.280 66 T C -0.481 174.225 174.700 0.010 0.000 0.995 66 T CA -0.853 61.251 62.100 0.006 0.000 1.009 66 T CB 1.441 70.307 68.868 -0.002 0.000 0.955 66 T HN 0.213 nan 8.240 nan 0.000 0.452 67 V N 1.843 121.767 119.914 0.017 0.000 2.577 67 V HA 0.783 4.903 4.120 -0.000 0.000 0.303 67 V C -0.079 176.024 176.094 0.015 0.000 1.042 67 V CA -0.993 61.316 62.300 0.015 0.000 0.872 67 V CB 1.540 33.375 31.823 0.020 0.000 0.998 67 V HN 1.315 nan 8.190 nan 0.000 0.423 68 A N 6.280 129.106 122.820 0.009 0.000 2.342 68 A HA 0.989 5.308 4.320 -0.000 0.000 0.323 68 A C -0.697 176.890 177.584 0.005 0.000 1.125 68 A CA -0.594 51.447 52.037 0.007 0.000 0.785 68 A CB 1.192 20.194 19.000 0.003 0.000 1.221 68 A HN 1.115 nan 8.150 nan 0.000 0.463 69 I N -0.397 120.176 120.570 0.004 0.000 2.730 69 I HA 0.817 4.987 4.170 -0.000 0.000 0.298 69 I C -0.978 175.138 176.117 -0.001 0.000 1.089 69 I CA -0.773 60.528 61.300 0.002 0.000 1.041 69 I CB 2.386 40.387 38.000 0.003 0.000 1.235 69 I HN 0.744 nan 8.210 nan 0.000 0.423 70 N N 1.446 120.145 118.700 -0.003 0.000 3.127 70 N HA 0.286 5.025 4.740 -0.000 0.000 0.239 70 N C 0.182 175.689 175.510 -0.005 0.000 1.407 70 N CA 0.024 53.071 53.050 -0.005 0.000 0.891 70 N CB 2.071 40.554 38.487 -0.006 0.000 1.447 70 N HN 0.811 nan 8.380 nan 0.000 0.507 71 T N -2.516 112.035 114.554 -0.006 0.000 2.976 71 T HA 0.020 4.370 4.350 -0.000 0.000 0.257 71 T C 0.488 175.184 174.700 -0.006 0.000 1.051 71 T CA 0.570 62.667 62.100 -0.005 0.000 1.141 71 T CB -0.143 68.722 68.868 -0.005 0.000 0.881 71 T HN 0.393 nan 8.240 nan 0.000 0.461 72 D N 1.890 122.286 120.400 -0.007 0.000 2.342 72 D HA 0.382 5.022 4.640 -0.000 0.000 0.260 72 D C 1.264 177.560 176.300 -0.008 0.000 1.278 72 D CA 0.109 54.104 54.000 -0.008 0.000 0.910 72 D CB 1.184 41.977 40.800 -0.012 0.000 1.079 72 D HN 0.322 nan 8.370 nan 0.000 0.496 73 A N 4.663 127.479 122.820 -0.006 0.000 2.015 73 A HA -0.176 4.143 4.320 -0.000 0.000 0.219 73 A C 1.984 179.564 177.584 -0.006 0.000 1.163 73 A CA 0.919 52.952 52.037 -0.006 0.000 0.646 73 A CB -0.125 18.872 19.000 -0.005 0.000 0.806 73 A HN 0.560 nan 8.150 nan 0.000 0.448 74 Q N -0.240 119.556 119.800 -0.007 0.000 2.046 74 Q HA -0.189 4.151 4.340 -0.000 0.000 0.200 74 Q C 2.216 178.210 176.000 -0.009 0.000 0.975 74 Q CA 1.816 57.614 55.803 -0.008 0.000 0.836 74 Q CB -0.345 28.388 28.738 -0.008 0.000 0.896 74 Q HN 0.826 nan 8.270 nan 0.000 0.428 75 Q N -0.104 119.689 119.800 -0.012 0.000 2.079 75 Q HA -0.140 4.199 4.340 -0.000 0.000 0.200 75 Q C 2.132 178.125 176.000 -0.011 0.000 0.974 75 Q CA 0.800 56.595 55.803 -0.014 0.000 0.840 75 Q CB -0.101 28.627 28.738 -0.018 0.000 0.898 75 Q HN 0.160 nan 8.270 nan 0.000 0.430 76 L N 0.850 122.067 121.223 -0.009 0.000 2.046 76 L HA -0.139 4.200 4.340 -0.000 0.000 0.208 76 L C 2.062 178.929 176.870 -0.006 0.000 1.077 76 L CA 1.373 56.209 54.840 -0.006 0.000 0.747 76 L CB -0.388 41.668 42.059 -0.005 0.000 0.896 76 L HN 0.237 nan 8.230 nan 0.000 0.432 77 I N -0.226 120.341 120.570 -0.006 0.000 2.394 77 I HA -0.287 3.882 4.170 -0.000 0.000 0.251 77 I C 2.356 178.470 176.117 -0.005 0.000 1.136 77 I CA 1.210 62.507 61.300 -0.005 0.000 1.425 77 I CB -0.151 37.846 38.000 -0.005 0.000 1.079 77 I HN 0.389 nan 8.210 nan 0.000 0.425 78 R N -0.432 120.065 120.500 -0.006 0.000 2.310 78 R HA 0.134 4.473 4.340 -0.000 0.000 0.202 78 R C 0.535 176.831 176.300 -0.006 0.000 0.933 78 R CA 0.106 56.203 56.100 -0.006 0.000 1.054 78 R CB -0.808 29.488 30.300 -0.007 0.000 0.985 78 R HN 0.144 nan 8.270 nan 0.000 0.489 79 T N 1.456 116.006 114.554 -0.006 0.000 2.882 79 T HA 0.235 4.585 4.350 -0.000 0.000 0.287 79 T C -0.333 174.365 174.700 -0.004 0.000 1.014 79 T CA -0.191 61.907 62.100 -0.005 0.000 1.049 79 T CB 1.341 70.206 68.868 -0.005 0.000 1.001 79 T HN 0.115 nan 8.240 nan 0.000 0.525 80 K N 1.072 121.470 120.400 -0.004 0.000 2.426 80 K HA 0.733 5.053 4.320 -0.000 0.000 0.254 80 K C -0.883 175.715 176.600 -0.003 0.000 0.936 80 K CA -0.662 55.623 56.287 -0.003 0.000 0.801 80 K CB 2.026 34.524 32.500 -0.004 0.000 1.139 80 K HN 0.704 nan 8.250 nan 0.000 0.424 81 A N 1.667 124.486 122.820 -0.003 0.000 2.586 81 A HA 0.281 4.601 4.320 -0.000 0.000 0.290 81 A C -0.556 177.027 177.584 -0.002 0.000 1.086 81 A CA -0.692 51.344 52.037 -0.002 0.000 0.665 81 A CB 0.876 19.876 19.000 0.000 0.000 1.279 81 A HN 0.663 nan 8.150 nan 0.000 0.423 82 D N -0.237 120.162 120.400 -0.002 0.000 2.224 82 D HA 0.061 4.701 4.640 -0.000 0.000 0.205 82 D C 0.248 176.548 176.300 -0.001 0.000 0.965 82 D CA 1.612 55.611 54.000 -0.002 0.000 0.852 82 D CB 0.267 41.065 40.800 -0.002 0.000 0.947 82 D HN 0.363 nan 8.370 nan 0.000 0.494 83 K N 0.298 120.699 120.400 0.001 0.000 2.543 83 K HA 0.310 4.630 4.320 -0.000 0.000 0.255 83 K C -1.642 174.960 176.600 0.002 0.000 0.934 83 K CA -0.550 55.738 56.287 0.001 0.000 0.810 83 K CB 2.001 34.503 32.500 0.003 0.000 1.315 83 K HN -0.313 nan 8.250 nan 0.000 0.433 84 K N 3.843 124.243 120.400 0.001 0.000 2.316 84 K HA 0.594 4.913 4.320 -0.000 0.000 0.251 84 K C -0.687 175.913 176.600 0.000 0.000 0.934 84 K CA -0.765 55.522 56.287 0.001 0.000 0.802 84 K CB 1.862 34.361 32.500 -0.001 0.000 1.171 84 K HN 0.462 nan 8.250 nan 0.000 0.426 85 I N 3.480 124.050 120.570 0.000 0.000 2.468 85 I HA 0.158 4.328 4.170 -0.000 0.000 0.284 85 I C -1.079 175.037 176.117 -0.002 0.000 1.038 85 I CA -0.988 60.312 61.300 -0.001 0.000 1.083 85 I CB 1.553 39.553 38.000 0.000 0.000 1.223 85 I HN 0.333 nan 8.210 nan 0.000 0.443 86 L N 8.789 130.010 121.223 -0.002 0.000 2.295 86 L HA 0.464 4.804 4.340 -0.000 0.000 0.288 86 L C -0.007 176.861 176.870 -0.003 0.000 1.079 86 L CA 0.024 54.862 54.840 -0.003 0.000 0.830 86 L CB 0.213 42.270 42.059 -0.003 0.000 1.200 86 L HN 0.451 nan 8.230 nan 0.000 0.438 87 I N 1.951 122.519 120.570 -0.004 0.000 2.566 87 I HA 0.723 4.892 4.170 -0.000 0.000 0.303 87 I C 1.105 177.219 176.117 -0.004 0.000 0.983 87 I CA -0.366 60.931 61.300 -0.004 0.000 1.235 87 I CB 1.310 39.307 38.000 -0.005 0.000 1.386 87 I HN 0.774 nan 8.210 nan 0.000 0.494 88 G N 3.612 112.410 108.800 -0.004 0.000 2.221 88 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.265 88 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.265 88 G C 0.661 175.559 174.900 -0.003 0.000 1.041 88 G CA 0.616 45.714 45.100 -0.004 0.000 0.807 88 G HN 0.907 nan 8.290 nan 0.000 0.502 89 K N -0.080 120.318 120.400 -0.003 0.000 2.015 89 K HA -0.177 4.143 4.320 -0.000 0.000 0.216 89 K C 2.548 179.147 176.600 -0.002 0.000 1.052 89 K CA 1.979 58.265 56.287 -0.003 0.000 0.937 89 K CB -0.217 32.281 32.500 -0.003 0.000 0.719 89 K HN 0.495 nan 8.250 nan 0.000 0.446 90 K N 0.423 120.822 120.400 -0.002 0.000 2.097 90 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 90 K C 2.133 178.732 176.600 -0.001 0.000 1.049 90 K CA 0.990 57.276 56.287 -0.002 0.000 0.933 90 K CB -0.131 32.368 32.500 -0.002 0.000 0.717 90 K HN 0.033 nan 8.250 nan 0.000 0.442 91 L N 0.753 121.975 121.223 -0.002 0.000 2.102 91 L HA -0.080 4.260 4.340 -0.000 0.000 0.202 91 L C 2.132 179.001 176.870 -0.001 0.000 1.076 91 L CA 1.898 56.737 54.840 -0.001 0.000 0.761 91 L CB -0.343 41.715 42.059 -0.001 0.000 0.921 91 L HN 0.256 nan 8.230 nan 0.000 0.444 92 T N -4.358 110.195 114.554 -0.002 0.000 2.990 92 T HA 0.191 4.541 4.350 -0.000 0.000 0.250 92 T C 0.654 175.353 174.700 -0.002 0.000 1.041 92 T CA -0.212 61.887 62.100 -0.002 0.000 1.010 92 T CB -0.135 68.731 68.868 -0.002 0.000 1.003 92 T HN 0.302 nan 8.240 nan 0.000 0.499 93 R N 1.219 121.718 120.500 -0.002 0.000 3.152 93 R HA -0.117 4.222 4.340 -0.000 0.000 0.252 93 R C 1.147 177.446 176.300 -0.003 0.000 0.930 93 R CA 0.190 56.289 56.100 -0.002 0.000 0.642 93 R CB -2.353 27.946 30.300 -0.002 0.000 1.205 93 R HN 0.829 nan 8.270 nan 0.000 0.452 94 G N -0.255 108.543 108.800 -0.003 0.000 2.200 94 G HA2 -0.341 3.618 3.960 -0.000 0.000 0.267 94 G HA3 -0.341 3.618 3.960 -0.000 0.000 0.267 94 G C 0.286 175.183 174.900 -0.004 0.000 0.993 94 G CA 0.908 46.006 45.100 -0.004 0.000 0.701 94 G HN 0.380 nan 8.290 nan 0.000 0.524 95 L N -0.206 121.015 121.223 -0.004 0.000 2.334 95 L HA 0.697 5.037 4.340 -0.000 0.000 0.270 95 L C 1.494 178.361 176.870 -0.005 0.000 1.018 95 L CA -0.693 54.144 54.840 -0.004 0.000 0.811 95 L CB 1.300 43.357 42.059 -0.003 0.000 1.271 95 L HN 0.173 nan 8.230 nan 0.000 0.443 96 G N 0.044 108.840 108.800 -0.006 0.000 2.683 96 G HA2 0.294 4.253 3.960 -0.000 0.000 0.260 96 G HA3 0.294 4.253 3.960 -0.000 0.000 0.260 96 G C 0.593 175.490 174.900 -0.005 0.000 1.238 96 G CA 0.243 45.339 45.100 -0.007 0.000 0.934 96 G HN 0.806 nan 8.290 nan 0.000 0.534 97 A N -1.175 121.643 122.820 -0.005 0.000 2.275 97 A HA 0.477 4.797 4.320 -0.000 0.000 0.212 97 A C 1.950 179.534 177.584 -0.000 0.000 1.201 97 A CA 1.150 53.186 52.037 -0.002 0.000 0.843 97 A CB -0.571 18.428 19.000 -0.001 0.000 0.873 97 A HN 2.341 nan 8.150 nan 0.000 0.492 98 G N -1.149 107.650 108.800 -0.002 0.000 2.321 98 G HA2 0.069 4.028 3.960 -0.000 0.000 0.287 98 G HA3 0.069 4.028 3.960 -0.000 0.000 0.287 98 G C 1.477 176.379 174.900 0.003 0.000 1.018 98 G CA 0.991 46.091 45.100 0.000 0.000 0.855 98 G HN 2.073 nan 8.290 nan 0.000 0.507 99 G N -1.240 107.561 108.800 0.003 0.000 2.179 99 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.260 99 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.260 99 G C 0.245 175.151 174.900 0.009 0.000 0.977 99 G CA 0.692 45.796 45.100 0.007 0.000 0.641 99 G HN 1.364 nan 8.290 nan 0.000 0.533 100 N N 1.054 119.758 118.700 0.007 0.000 2.469 100 N HA 0.403 5.142 4.740 -0.000 0.000 0.239 100 N C -0.998 174.517 175.510 0.008 0.000 1.053 100 N CA -1.856 51.199 53.050 0.008 0.000 0.937 100 N CB 1.519 40.010 38.487 0.007 0.000 1.163 100 N HN 0.015 nan 8.380 nan 0.000 0.509 101 P HA -0.118 nan 4.420 nan 0.000 0.218 101 P C 0.759 178.065 177.300 0.010 0.000 1.148 101 P CA 1.415 64.521 63.100 0.011 0.000 0.822 101 P CB 0.405 32.115 31.700 0.016 0.000 0.784 102 K N -0.915 119.491 120.400 0.010 0.000 2.211 102 K HA -0.047 4.272 4.320 -0.000 0.000 0.203 102 K C 1.968 178.572 176.600 0.006 0.000 1.050 102 K CA 0.983 57.276 56.287 0.009 0.000 0.945 102 K CB -0.405 32.101 32.500 0.010 0.000 0.732 102 K HN 0.217 nan 8.250 nan 0.000 0.451 103 I N 0.284 120.857 120.570 0.005 0.000 2.286 103 I HA -0.136 4.033 4.170 -0.000 0.000 0.245 103 I C 2.445 178.562 176.117 0.001 0.000 1.104 103 I CA 1.123 62.424 61.300 0.002 0.000 1.397 103 I CB -0.541 37.460 38.000 0.002 0.000 1.072 103 I HN 0.248 nan 8.210 nan 0.000 0.417 104 G N 0.277 109.077 108.800 0.001 0.000 2.422 104 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 104 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 104 G C 1.548 176.446 174.900 -0.003 0.000 1.146 104 G CA 0.611 45.711 45.100 -0.001 0.000 0.769 104 G HN 0.417 nan 8.290 nan 0.000 0.547 105 E N 0.100 120.300 120.200 -0.001 0.000 2.047 105 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 105 E C 2.350 178.945 176.600 -0.007 0.000 0.987 105 E CA 0.852 57.249 56.400 -0.005 0.000 0.799 105 E CB -0.016 29.684 29.700 0.001 0.000 0.752 105 E HN 0.325 nan 8.360 nan 0.000 0.449 106 E N 0.335 120.533 120.200 -0.003 0.000 2.077 106 E HA -0.186 4.163 4.350 -0.000 0.000 0.193 106 E C 2.004 178.601 176.600 -0.005 0.000 0.989 106 E CA 0.957 57.355 56.400 -0.004 0.000 0.800 106 E CB -0.267 29.432 29.700 -0.001 0.000 0.746 106 E HN 0.338 nan 8.360 nan 0.000 0.452 107 A N 1.736 124.553 122.820 -0.005 0.000 1.883 107 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 107 A C 2.463 180.043 177.584 -0.008 0.000 1.186 107 A CA 2.294 54.327 52.037 -0.005 0.000 0.624 107 A CB -0.685 18.313 19.000 -0.004 0.000 0.822 107 A HN 0.281 nan 8.150 nan 0.000 0.444 108 A N -0.378 122.436 122.820 -0.010 0.000 1.933 108 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 108 A C 2.108 179.682 177.584 -0.017 0.000 1.175 108 A CA 1.817 53.846 52.037 -0.014 0.000 0.628 108 A CB -0.422 18.567 19.000 -0.019 0.000 0.814 108 A HN 0.572 nan 8.150 nan 0.000 0.444 109 K N -0.586 119.803 120.400 -0.017 0.000 2.026 109 K HA -0.181 4.138 4.320 -0.000 0.000 0.208 109 K C 2.090 178.683 176.600 -0.012 0.000 1.048 109 K CA 1.429 57.706 56.287 -0.017 0.000 0.929 109 K CB -0.195 32.296 32.500 -0.014 0.000 0.713 109 K HN 0.695 nan 8.250 nan 0.000 0.439 110 E N 0.713 120.908 120.200 -0.009 0.000 2.209 110 E HA -0.138 4.212 4.350 -0.000 0.000 0.196 110 E C 0.478 177.074 176.600 -0.007 0.000 0.993 110 E CA 1.079 57.475 56.400 -0.007 0.000 0.819 110 E CB 0.189 29.886 29.700 -0.005 0.000 0.745 110 E HN 0.100 nan 8.360 nan 0.000 0.477 111 S N -0.372 115.323 115.700 -0.008 0.000 2.601 111 S HA 0.330 4.800 4.470 -0.000 0.000 0.244 111 S C 1.103 175.698 174.600 -0.009 0.000 1.001 111 S CA 0.132 58.327 58.200 -0.007 0.000 0.984 111 S CB 1.130 64.326 63.200 -0.006 0.000 0.842 111 S HN 0.380 nan 8.310 nan 0.000 0.474 112 A N 2.621 125.434 122.820 -0.011 0.000 1.903 112 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 112 A C 2.141 179.719 177.584 -0.010 0.000 1.191 112 A CA 1.520 53.549 52.037 -0.014 0.000 0.638 112 A CB -0.380 18.610 19.000 -0.016 0.000 0.823 112 A HN 0.368 nan 8.150 nan 0.000 0.451 113 E N -0.494 119.702 120.200 -0.007 0.000 2.077 113 E HA -0.202 4.147 4.350 -0.000 0.000 0.193 113 E C 1.957 178.555 176.600 -0.004 0.000 0.989 113 E CA 1.378 57.774 56.400 -0.005 0.000 0.800 113 E CB -0.363 29.335 29.700 -0.004 0.000 0.746 113 E HN 0.820 nan 8.360 nan 0.000 0.452 114 E N 0.226 120.423 120.200 -0.004 0.000 2.072 114 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 114 E C 2.254 178.853 176.600 -0.002 0.000 0.985 114 E CA 0.492 56.891 56.400 -0.003 0.000 0.801 114 E CB 0.002 29.700 29.700 -0.003 0.000 0.750 114 E HN 0.198 nan 8.360 nan 0.000 0.452 115 I N 1.015 121.583 120.570 -0.003 0.000 2.179 115 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 115 I C 2.644 178.760 176.117 -0.001 0.000 1.088 115 I CA 1.110 62.408 61.300 -0.002 0.000 1.357 115 I CB -0.317 37.679 38.000 -0.006 0.000 1.051 115 I HN 0.062 nan 8.210 nan 0.000 0.409 116 K N 1.586 121.984 120.400 -0.003 0.000 2.074 116 K HA -0.239 4.080 4.320 -0.000 0.000 0.209 116 K C 2.173 178.773 176.600 0.001 0.000 1.048 116 K CA 1.798 58.084 56.287 -0.002 0.000 0.926 116 K CB -0.158 32.340 32.500 -0.003 0.000 0.713 116 K HN 0.307 nan 8.250 nan 0.000 0.444 117 A N 0.766 123.586 122.820 0.000 0.000 1.972 117 A HA -0.065 4.254 4.320 -0.000 0.000 0.219 117 A C 2.265 179.851 177.584 0.002 0.000 1.169 117 A CA 1.754 53.791 52.037 0.001 0.000 0.635 117 A CB -0.641 18.359 19.000 -0.001 0.000 0.810 117 A HN 0.515 nan 8.150 nan 0.000 0.446 118 A N 0.200 123.023 122.820 0.004 0.000 1.968 118 A HA 0.082 4.402 4.320 -0.000 0.000 0.217 118 A C 1.891 179.481 177.584 0.011 0.000 1.169 118 A CA 1.350 53.391 52.037 0.006 0.000 0.638 118 A CB -0.526 18.478 19.000 0.007 0.000 0.812 118 A HN 1.013 nan 8.150 nan 0.000 0.446 119 I N -3.889 116.688 120.570 0.012 0.000 4.025 119 I HA 0.213 4.383 4.170 -0.000 0.000 0.336 119 I C 1.661 177.787 176.117 0.016 0.000 1.390 119 I CA 0.454 61.765 61.300 0.018 0.000 1.099 119 I CB 0.035 38.049 38.000 0.022 0.000 1.049 119 I HN 0.164 nan 8.210 nan 0.000 0.394 120 Q N 2.983 122.789 119.800 0.010 0.000 2.007 120 Q HA -0.274 4.065 4.340 -0.000 0.000 0.214 120 Q C 0.862 176.868 176.000 0.009 0.000 1.031 120 Q CA 2.609 58.417 55.803 0.008 0.000 0.886 120 Q CB -0.371 28.369 28.738 0.003 0.000 0.992 120 Q HN 0.602 nan 8.270 nan 0.000 0.415 121 D N 0.361 120.765 120.400 0.008 0.000 2.690 121 D HA 0.131 4.771 4.640 -0.000 0.000 0.236 121 D C -0.658 175.649 176.300 0.013 0.000 1.218 121 D CA 0.082 54.087 54.000 0.007 0.000 0.829 121 D CB 0.051 40.851 40.800 -0.000 0.000 1.009 121 D HN 0.060 nan 8.370 nan 0.000 0.482 122 S N 0.605 116.318 115.700 0.022 0.000 2.537 122 S HA 0.102 4.571 4.470 -0.000 0.000 0.275 122 S C 1.021 175.651 174.600 0.051 0.000 1.272 122 S CA -0.655 57.565 58.200 0.034 0.000 1.050 122 S CB 1.994 65.221 63.200 0.045 0.000 0.961 122 S HN 0.128 nan 8.310 nan 0.000 0.496 123 D N 1.311 121.749 120.400 0.064 0.000 2.271 123 D HA 0.091 4.731 4.640 -0.000 0.000 0.206 123 D C 0.376 176.788 176.300 0.186 0.000 0.967 123 D CA 0.809 54.886 54.000 0.128 0.000 0.867 123 D CB 0.305 41.180 40.800 0.124 0.000 0.960 123 D HN 0.412 nan 8.370 nan 0.000 0.509 124 M N 0.874 120.568 119.600 0.157 0.000 2.322 124 M HA 0.306 4.786 4.480 -0.000 0.000 0.286 124 M C -2.302 174.063 176.300 0.109 0.000 1.111 124 M CA -0.477 54.908 55.300 0.141 0.000 0.941 124 M CB 2.768 35.533 32.600 0.275 0.000 1.671 124 M HN -0.406 nan 8.290 nan 0.000 0.470 125 V N 4.905 124.822 119.914 0.006 0.000 2.444 125 V HA 0.536 4.655 4.120 -0.000 0.000 0.294 125 V C -1.211 174.855 176.094 -0.046 0.000 1.022 125 V CA -0.439 61.891 62.300 0.050 0.000 0.850 125 V CB 1.669 33.511 31.823 0.032 0.000 0.992 125 V HN 0.722 nan 8.190 nan 0.000 0.426 126 F N 4.900 124.874 119.950 0.039 0.000 2.415 126 F HA 0.613 5.139 4.527 -0.001 0.000 0.348 126 F C 0.257 176.074 175.800 0.028 0.000 1.119 126 F CA -0.557 57.465 58.000 0.037 0.000 1.069 126 F CB 1.355 40.377 39.000 0.037 0.000 1.124 126 F HN 0.255 nan 8.300 nan 0.000 0.472 127 I N 2.840 123.504 120.570 0.157 0.000 2.362 127 I HA 0.344 4.514 4.170 -0.000 0.000 0.289 127 I C -0.079 176.100 176.117 0.104 0.000 0.994 127 I CA -0.305 61.057 61.300 0.103 0.000 1.158 127 I CB 1.852 39.885 38.000 0.055 0.000 1.315 127 I HN 0.478 nan 8.210 nan 0.000 0.451 128 T N 5.717 120.323 114.554 0.087 0.000 2.876 128 T HA 0.768 5.118 4.350 -0.000 0.000 0.289 128 T C -0.847 173.878 174.700 0.042 0.000 1.014 128 T CA -0.343 61.799 62.100 0.069 0.000 0.986 128 T CB 1.112 70.023 68.868 0.071 0.000 1.021 128 T HN 0.924 nan 8.240 nan 0.000 0.458 129 C N 1.414 120.733 119.300 0.032 0.000 3.165 129 C HA 0.869 5.329 4.460 -0.000 0.000 0.345 129 C C 0.007 175.004 174.990 0.012 0.000 1.367 129 C CA -0.610 58.419 59.018 0.018 0.000 1.205 129 C CB 0.518 28.268 27.740 0.016 0.000 1.447 129 C HN 1.148 nan 8.230 nan 0.000 0.451 130 G N 1.254 110.057 108.800 0.006 0.000 2.335 130 G HA2 0.595 4.555 3.960 -0.000 0.000 0.314 130 G HA3 0.595 4.555 3.960 -0.000 0.000 0.314 130 G C -0.703 174.199 174.900 0.003 0.000 1.129 130 G CA -0.588 44.515 45.100 0.005 0.000 0.912 130 G HN 0.915 nan 8.290 nan 0.000 0.443 131 L N 1.926 123.148 121.223 -0.003 0.000 2.397 131 L HA 0.535 4.875 4.340 -0.000 0.000 0.271 131 L C 1.429 178.302 176.870 0.005 0.000 1.148 131 L CA 0.835 55.673 54.840 -0.002 0.000 0.825 131 L CB 1.359 43.409 42.059 -0.014 0.000 1.117 131 L HN 0.856 nan 8.230 nan 0.000 0.456 132 G N 1.491 110.297 108.800 0.010 0.000 2.705 132 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.193 132 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.193 132 G C 0.333 175.244 174.900 0.020 0.000 1.015 132 G CA -0.275 44.837 45.100 0.020 0.000 0.743 132 G HN 0.956 nan 8.290 nan 0.000 0.476 133 G N -0.402 108.405 108.800 0.011 0.000 2.532 133 G HA2 0.565 4.525 3.960 -0.000 0.000 0.291 133 G HA3 0.565 4.525 3.960 -0.000 0.000 0.291 133 G C 1.183 176.087 174.900 0.006 0.000 1.349 133 G CA 0.303 45.406 45.100 0.005 0.000 1.038 133 G HN 1.081 nan 8.290 nan 0.000 0.518 134 G N -1.705 107.097 108.800 0.003 0.000 2.459 134 G HA2 0.058 4.018 3.960 -0.000 0.000 0.213 134 G HA3 0.058 4.018 3.960 -0.000 0.000 0.213 134 G C 1.546 176.448 174.900 0.002 0.000 1.155 134 G CA 1.542 46.644 45.100 0.004 0.000 0.811 134 G HN 0.558 nan 8.290 nan 0.000 0.534 135 T N 0.858 115.411 114.554 -0.001 0.000 2.735 135 T HA 0.063 4.413 4.350 -0.000 0.000 0.256 135 T C 2.525 177.226 174.700 0.000 0.000 1.042 135 T CA 1.287 63.386 62.100 -0.002 0.000 1.147 135 T CB -0.672 68.193 68.868 -0.005 0.000 0.865 135 T HN 0.271 nan 8.240 nan 0.000 0.421 136 G N 1.398 110.198 108.800 0.000 0.000 2.459 136 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.217 136 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.217 136 G C 1.732 176.637 174.900 0.008 0.000 1.183 136 G CA 1.660 46.762 45.100 0.004 0.000 0.776 136 G HN 0.461 nan 8.290 nan 0.000 0.552 137 T N 0.860 115.419 114.554 0.009 0.000 2.665 137 T HA -0.086 4.264 4.350 -0.000 0.000 0.268 137 T C 2.434 177.143 174.700 0.016 0.000 1.035 137 T CA 1.689 63.797 62.100 0.013 0.000 1.151 137 T CB -0.556 68.320 68.868 0.013 0.000 0.862 137 T HN 0.383 nan 8.240 nan 0.000 0.438 138 G N 0.913 109.720 108.800 0.011 0.000 2.408 138 G HA2 -0.108 3.851 3.960 -0.000 0.000 0.215 138 G HA3 -0.108 3.851 3.960 -0.000 0.000 0.215 138 G C 1.876 176.777 174.900 0.002 0.000 1.156 138 G CA 1.015 46.120 45.100 0.009 0.000 0.793 138 G HN 0.625 nan 8.290 nan 0.000 0.535 139 S N 0.734 116.434 115.700 -0.001 0.000 2.458 139 S HA 0.364 4.834 4.470 -0.000 0.000 0.223 139 S C 2.560 177.154 174.600 -0.010 0.000 1.019 139 S CA 1.090 59.285 58.200 -0.008 0.000 0.937 139 S CB -0.116 63.081 63.200 -0.006 0.000 0.788 139 S HN 0.462 nan 8.310 nan 0.000 0.511 140 A N 3.311 126.132 122.820 0.002 0.000 1.892 140 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 140 A C 0.080 177.665 177.584 0.001 0.000 1.188 140 A CA 1.783 53.826 52.037 0.009 0.000 0.631 140 A CB -1.893 17.120 19.000 0.023 0.000 0.822 140 A HN 0.534 nan 8.150 nan 0.000 0.447 141 P HA -0.065 nan 4.420 nan 0.000 0.218 141 P C 1.538 178.743 177.300 -0.158 0.000 1.149 141 P CA 1.058 64.145 63.100 -0.021 0.000 0.817 141 P CB -0.049 31.670 31.700 0.032 0.000 0.785 142 V N -0.657 119.188 119.914 -0.116 0.000 2.453 142 V HA -0.159 3.961 4.120 -0.000 0.000 0.247 142 V C 2.388 178.419 176.094 -0.105 0.000 1.048 142 V CA 1.551 63.769 62.300 -0.136 0.000 1.049 142 V CB -1.057 30.720 31.823 -0.077 0.000 0.672 142 V HN -0.035 nan 8.190 nan 0.000 0.457 143 V N 0.414 120.293 119.914 -0.060 0.000 2.427 143 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 143 V C 2.695 178.769 176.094 -0.034 0.000 1.051 143 V CA 1.898 64.178 62.300 -0.033 0.000 1.048 143 V CB -1.062 30.756 31.823 -0.008 0.000 0.666 143 V HN 0.547 nan 8.190 nan 0.000 0.456 144 A N -0.338 122.460 122.820 -0.036 0.000 1.902 144 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 144 A C 2.302 179.872 177.584 -0.022 0.000 1.181 144 A CA 1.941 53.974 52.037 -0.007 0.000 0.623 144 A CB -0.509 18.516 19.000 0.043 0.000 0.818 144 A HN 0.610 nan 8.150 nan 0.000 0.443 145 E N -0.147 119.967 120.200 -0.144 0.000 2.077 145 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 145 E C 1.872 178.441 176.600 -0.050 0.000 0.989 145 E CA 1.400 57.712 56.400 -0.146 0.000 0.800 145 E CB -0.225 29.239 29.700 -0.394 0.000 0.746 145 E HN 0.679 nan 8.360 nan 0.000 0.452 146 I N 0.415 120.950 120.570 -0.058 0.000 2.315 146 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 146 I C 2.714 178.826 176.117 -0.008 0.000 1.117 146 I CA 0.878 62.162 61.300 -0.027 0.000 1.404 146 I CB -0.333 37.651 38.000 -0.027 0.000 1.071 146 I HN 0.130 nan 8.210 nan 0.000 0.419 147 S N 0.867 116.563 115.700 -0.006 0.000 2.370 147 S HA -0.214 4.255 4.470 -0.000 0.000 0.226 147 S C 2.059 176.665 174.600 0.010 0.000 1.033 147 S CA 1.566 59.769 58.200 0.005 0.000 1.011 147 S CB -0.078 63.124 63.200 0.004 0.000 0.852 147 S HN 0.342 nan 8.310 nan 0.000 0.457 148 K N 0.481 120.891 120.400 0.016 0.000 2.103 148 K HA 0.021 4.340 4.320 -0.000 0.000 0.204 148 K C 2.323 178.935 176.600 0.020 0.000 1.052 148 K CA 0.987 57.287 56.287 0.022 0.000 0.945 148 K CB -0.135 32.389 32.500 0.040 0.000 0.722 148 K HN 0.319 nan 8.250 nan 0.000 0.443 149 K N 0.939 121.350 120.400 0.019 0.000 2.152 149 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 149 K C 1.894 178.500 176.600 0.011 0.000 1.048 149 K CA 1.394 57.690 56.287 0.015 0.000 0.933 149 K CB -0.269 32.237 32.500 0.010 0.000 0.721 149 K HN 0.242 nan 8.250 nan 0.000 0.447 150 I N -2.603 117.973 120.570 0.011 0.000 3.564 150 I HA 0.236 4.405 4.170 -0.000 0.000 0.294 150 I C 0.749 176.876 176.117 0.015 0.000 1.289 150 I CA 0.440 61.746 61.300 0.011 0.000 1.325 150 I CB 0.014 38.020 38.000 0.010 0.000 1.039 150 I HN 0.145 nan 8.210 nan 0.000 0.474 151 G N 0.671 109.481 108.800 0.016 0.000 2.182 151 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.248 151 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.248 151 G C 0.193 175.109 174.900 0.026 0.000 1.042 151 G CA -0.011 45.101 45.100 0.019 0.000 0.775 151 G HN 1.013 nan 8.290 nan 0.000 0.501 152 A N -0.534 122.300 122.820 0.024 0.000 2.312 152 A HA 0.832 5.151 4.320 -0.000 0.000 0.328 152 A C 0.294 177.885 177.584 0.011 0.000 1.158 152 A CA -0.576 51.481 52.037 0.033 0.000 0.821 152 A CB 1.241 20.261 19.000 0.034 0.000 1.170 152 A HN 1.563 nan 8.150 nan 0.000 0.490 153 L N 1.942 123.174 121.223 0.014 0.000 2.477 153 L HA 0.323 4.663 4.340 -0.000 0.000 0.272 153 L C 0.055 176.875 176.870 -0.084 0.000 1.157 153 L CA 1.160 55.977 54.840 -0.040 0.000 0.889 153 L CB 0.136 42.166 42.059 -0.048 0.000 1.158 153 L HN 0.595 nan 8.230 nan 0.000 0.473 154 T N 5.414 119.914 114.554 -0.090 0.000 2.756 154 T HA 0.579 4.929 4.350 -0.000 0.000 0.290 154 T C -0.469 174.140 174.700 -0.152 0.000 0.985 154 T CA -0.391 61.647 62.100 -0.104 0.000 0.955 154 T CB 0.905 69.752 68.868 -0.036 0.000 0.930 154 T HN 0.378 nan 8.240 nan 0.000 0.451 155 V N 2.513 122.271 119.914 -0.261 0.000 2.656 155 V HA 0.847 4.967 4.120 -0.000 0.000 0.307 155 V C -0.071 175.948 176.094 -0.125 0.000 1.051 155 V CA -1.001 61.141 62.300 -0.264 0.000 0.893 155 V CB 1.789 33.279 31.823 -0.555 0.000 0.999 155 V HN 1.023 nan 8.190 nan 0.000 0.426 156 A N 3.854 126.661 122.820 -0.022 0.000 2.340 156 A HA 0.926 5.246 4.320 -0.000 0.000 0.331 156 A C -0.997 176.634 177.584 0.078 0.000 1.140 156 A CA -0.616 51.447 52.037 0.044 0.000 0.801 156 A CB 1.873 20.898 19.000 0.043 0.000 1.234 156 A HN 0.786 nan 8.150 nan 0.000 0.469 157 V N 2.967 122.942 119.914 0.101 0.000 2.445 157 V HA 0.493 4.612 4.120 -0.000 0.000 0.283 157 V C -0.278 175.853 176.094 0.062 0.000 1.014 157 V CA -0.354 62.003 62.300 0.096 0.000 0.852 157 V CB 0.847 32.753 31.823 0.138 0.000 1.021 157 V HN 1.156 nan 8.190 nan 0.000 0.435 158 V N 1.818 121.754 119.914 0.036 0.000 3.126 158 V HA 0.999 5.119 4.120 -0.000 0.000 0.314 158 V C -0.044 176.043 176.094 -0.012 0.000 1.138 158 V CA -0.519 61.790 62.300 0.015 0.000 1.034 158 V CB 2.337 34.167 31.823 0.012 0.000 1.075 158 V HN 0.794 nan 8.190 nan 0.000 0.442 159 T N 0.507 115.044 114.554 -0.027 0.000 2.912 159 T HA 0.786 5.136 4.350 -0.000 0.000 0.288 159 T C -0.901 173.753 174.700 -0.077 0.000 1.030 159 T CA -0.682 61.379 62.100 -0.065 0.000 1.020 159 T CB 1.622 70.444 68.868 -0.077 0.000 1.056 159 T HN 0.641 nan 8.240 nan 0.000 0.480 160 L N 3.141 124.295 121.223 -0.116 0.000 2.344 160 L HA 0.615 4.955 4.340 -0.000 0.000 0.272 160 L C -1.971 174.815 176.870 -0.140 0.000 1.035 160 L CA -2.413 52.361 54.840 -0.109 0.000 0.807 160 L CB 1.009 42.996 42.059 -0.120 0.000 1.237 160 L HN 0.583 nan 8.230 nan 0.000 0.442 161 P HA 0.105 nan 4.420 nan 0.000 0.274 161 P C -0.597 176.678 177.300 -0.042 0.000 1.246 161 P CA -0.281 62.803 63.100 -0.025 0.000 0.795 161 P CB 0.447 32.195 31.700 0.081 0.000 1.006 162 F N -0.382 119.612 119.950 0.074 0.000 2.450 162 F HA -0.017 4.510 4.527 -0.000 0.000 0.339 162 F C 2.145 177.992 175.800 0.077 0.000 1.146 162 F CA -0.050 57.991 58.000 0.068 0.000 1.267 162 F CB -0.174 38.854 39.000 0.047 0.000 1.178 162 F HN 0.034 nan 8.300 nan 0.000 0.585 163 V N 3.128 123.217 119.914 0.291 0.000 2.324 163 V HA -0.371 3.749 4.120 -0.000 0.000 0.250 163 V C 2.276 178.450 176.094 0.135 0.000 1.060 163 V CA 2.403 64.797 62.300 0.158 0.000 1.042 163 V CB -0.841 31.046 31.823 0.108 0.000 0.650 163 V HN 0.868 nan 8.190 nan 0.000 0.450 164 M N -0.446 119.239 119.600 0.143 0.000 2.706 164 M HA -0.135 4.344 4.480 -0.000 0.000 0.253 164 M C 1.389 177.758 176.300 0.115 0.000 1.063 164 M CA 1.759 57.109 55.300 0.084 0.000 1.067 164 M CB -0.706 31.911 32.600 0.029 0.000 1.423 164 M HN 0.334 nan 8.290 nan 0.000 0.530 165 E N 1.385 121.685 120.200 0.168 0.000 2.479 165 E HA 0.318 4.668 4.350 -0.000 0.000 0.193 165 E C 0.683 177.348 176.600 0.108 0.000 1.049 165 E CA 0.199 56.699 56.400 0.166 0.000 0.870 165 E CB 0.282 30.120 29.700 0.230 0.000 0.944 165 E HN 0.734 nan 8.360 nan 0.000 0.492 166 G N 1.519 110.370 108.800 0.086 0.000 2.663 166 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.686 166 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.686 166 G C 0.049 174.980 174.900 0.052 0.000 1.246 166 G CA -0.459 44.676 45.100 0.059 0.000 0.795 166 G HN 0.038 nan 8.290 nan 0.000 0.627 167 K N 0.038 120.461 120.400 0.038 0.000 2.155 167 K HA 0.054 4.374 4.320 -0.000 0.000 0.203 167 K C 2.638 179.256 176.600 0.029 0.000 1.052 167 K CA 1.347 57.653 56.287 0.031 0.000 0.948 167 K CB -0.083 32.432 32.500 0.025 0.000 0.728 167 K HN 0.352 nan 8.250 nan 0.000 0.448 168 V N 1.312 121.244 119.914 0.030 0.000 2.295 168 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 168 V C 2.383 178.495 176.094 0.029 0.000 1.049 168 V CA 1.743 64.059 62.300 0.027 0.000 1.024 168 V CB -0.435 31.404 31.823 0.026 0.000 0.648 168 V HN 0.286 nan 8.190 nan 0.000 0.447 169 R N -0.634 119.889 120.500 0.038 0.000 2.096 169 R HA -0.184 4.156 4.340 -0.000 0.000 0.235 169 R C 2.180 178.499 176.300 0.032 0.000 1.127 169 R CA 1.909 58.034 56.100 0.041 0.000 0.968 169 R CB -0.276 30.062 30.300 0.062 0.000 0.861 169 R HN 0.455 nan 8.270 nan 0.000 0.440 170 M N 0.666 120.285 119.600 0.030 0.000 2.200 170 M HA -0.062 4.418 4.480 -0.000 0.000 0.265 170 M C 1.936 178.238 176.300 0.003 0.000 1.066 170 M CA 1.689 56.997 55.300 0.013 0.000 1.127 170 M CB -0.076 32.533 32.600 0.016 0.000 1.379 170 M HN -0.011 nan 8.290 nan 0.000 0.420 171 K N -0.212 120.195 120.400 0.012 0.000 2.002 171 K HA -0.159 4.161 4.320 -0.000 0.000 0.209 171 K C 1.727 178.336 176.600 0.014 0.000 1.048 171 K CA 2.101 58.396 56.287 0.013 0.000 0.930 171 K CB -0.322 32.189 32.500 0.019 0.000 0.714 171 K HN 0.556 nan 8.250 nan 0.000 0.438 172 N N -0.035 118.675 118.700 0.016 0.000 2.149 172 N HA -0.193 4.547 4.740 -0.000 0.000 0.188 172 N C 1.789 177.307 175.510 0.013 0.000 1.019 172 N CA 0.913 53.973 53.050 0.017 0.000 0.857 172 N CB -0.147 38.351 38.487 0.018 0.000 0.997 172 N HN 0.287 nan 8.380 nan 0.000 0.426 173 A N 1.207 124.029 122.820 0.004 0.000 1.873 173 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 173 A C 2.133 179.701 177.584 -0.026 0.000 1.186 173 A CA 1.139 53.169 52.037 -0.011 0.000 0.616 173 A CB -0.248 18.740 19.000 -0.020 0.000 0.823 173 A HN 0.131 nan 8.150 nan 0.000 0.442 174 M N -0.671 118.908 119.600 -0.036 0.000 2.229 174 M HA -0.096 4.384 4.480 -0.000 0.000 0.264 174 M C 1.954 178.266 176.300 0.020 0.000 1.063 174 M CA 1.693 56.959 55.300 -0.057 0.000 1.114 174 M CB -1.231 31.336 32.600 -0.054 0.000 1.387 174 M HN 0.695 nan 8.290 nan 0.000 0.420 175 E N -0.131 120.091 120.200 0.036 0.000 2.072 175 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 175 E C 2.055 178.696 176.600 0.068 0.000 0.982 175 E CA 1.307 57.744 56.400 0.061 0.000 0.803 175 E CB -0.223 29.504 29.700 0.046 0.000 0.755 175 E HN 0.493 nan 8.360 nan 0.000 0.453 176 G N 0.892 109.721 108.800 0.047 0.000 2.443 176 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 176 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 176 G C 1.474 176.416 174.900 0.070 0.000 1.131 176 G CA 0.672 45.803 45.100 0.052 0.000 0.775 176 G HN 0.287 nan 8.290 nan 0.000 0.547 177 L N 0.544 121.803 121.223 0.060 0.000 2.093 177 L HA 0.099 4.439 4.340 -0.000 0.000 0.208 177 L C 2.563 179.576 176.870 0.239 0.000 1.085 177 L CA 2.162 57.053 54.840 0.084 0.000 0.755 177 L CB -0.283 41.732 42.059 -0.074 0.000 0.904 177 L HN 0.299 nan 8.230 nan 0.000 0.435 178 E N -0.397 119.957 120.200 0.257 0.000 2.072 178 E HA -0.172 4.178 4.350 -0.000 0.000 0.190 178 E C 2.321 179.001 176.600 0.133 0.000 0.982 178 E CA 1.264 57.817 56.400 0.255 0.000 0.803 178 E CB -0.080 29.744 29.700 0.206 0.000 0.755 178 E HN 0.381 nan 8.360 nan 0.000 0.453 179 R N -0.347 120.226 120.500 0.122 0.000 2.075 179 R HA -0.083 4.257 4.340 -0.000 0.000 0.232 179 R C 2.337 178.739 176.300 0.170 0.000 1.126 179 R CA 1.211 57.386 56.100 0.125 0.000 0.963 179 R CB -0.478 29.892 30.300 0.117 0.000 0.858 179 R HN 0.230 nan 8.270 nan 0.000 0.435 180 L N 1.779 123.092 121.223 0.149 0.000 2.046 180 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 180 L C 2.169 179.114 176.870 0.125 0.000 1.077 180 L CA 1.835 56.764 54.840 0.149 0.000 0.747 180 L CB -0.490 41.633 42.059 0.106 0.000 0.896 180 L HN -0.076 nan 8.230 nan 0.000 0.432 181 K N -0.767 119.700 120.400 0.112 0.000 2.218 181 K HA -0.204 4.116 4.320 -0.000 0.000 0.205 181 K C 1.896 178.482 176.600 -0.023 0.000 1.046 181 K CA 1.490 57.816 56.287 0.066 0.000 0.933 181 K CB -0.143 32.408 32.500 0.085 0.000 0.728 181 K HN 0.436 nan 8.250 nan 0.000 0.454 182 Q N -0.565 119.189 119.800 -0.076 0.000 2.245 182 Q HA -0.062 4.277 4.340 -0.000 0.000 0.201 182 Q C 1.033 176.800 176.000 -0.389 0.000 0.955 182 Q CA 1.155 56.800 55.803 -0.263 0.000 0.870 182 Q CB 0.125 28.627 28.738 -0.394 0.000 0.945 182 Q HN 0.614 nan 8.270 nan 0.000 0.461 183 H N 0.005 119.077 119.070 0.003 0.000 2.672 183 H HA 0.199 4.754 4.556 -0.000 0.000 0.277 183 H C 0.342 175.664 175.328 -0.008 0.000 1.074 183 H CA 0.369 56.416 56.048 -0.002 0.000 1.173 183 H CB 0.751 30.515 29.762 0.002 0.000 1.558 183 H HN 0.142 nan 8.280 nan 0.000 0.539 184 T N -1.930 112.663 114.554 0.065 0.000 2.940 184 T HA 0.212 4.562 4.350 -0.000 0.000 0.288 184 T C 0.674 175.371 174.700 -0.006 0.000 1.033 184 T CA -0.814 61.304 62.100 0.029 0.000 1.033 184 T CB 2.557 71.442 68.868 0.029 0.000 1.079 184 T HN -0.115 nan 8.240 nan 0.000 0.496 185 D N 0.828 121.212 120.400 -0.027 0.000 2.216 185 D HA 0.117 4.757 4.640 -0.000 0.000 0.208 185 D C 0.195 176.473 176.300 -0.037 0.000 0.960 185 D CA 0.998 54.975 54.000 -0.039 0.000 0.861 185 D CB 0.331 41.097 40.800 -0.057 0.000 0.985 185 D HN 0.617 nan 8.370 nan 0.000 0.493 186 T N 0.951 115.480 114.554 -0.042 0.000 2.991 186 T HA 0.384 4.734 4.350 -0.000 0.000 0.303 186 T C -1.133 173.564 174.700 -0.005 0.000 1.015 186 T CA -0.592 61.494 62.100 -0.023 0.000 1.007 186 T CB 2.347 71.196 68.868 -0.032 0.000 1.034 186 T HN -0.150 nan 8.240 nan 0.000 0.446 187 L N 4.930 126.169 121.223 0.026 0.000 2.318 187 L HA 0.642 4.981 4.340 -0.000 0.000 0.277 187 L C -0.970 175.934 176.870 0.057 0.000 1.008 187 L CA -0.613 54.255 54.840 0.048 0.000 0.846 187 L CB 0.853 42.958 42.059 0.077 0.000 1.220 187 L HN 0.461 nan 8.230 nan 0.000 0.423 188 V N 6.033 125.980 119.914 0.055 0.000 2.385 188 V HA 0.420 4.540 4.120 -0.000 0.000 0.269 188 V C -0.001 176.117 176.094 0.040 0.000 1.043 188 V CA -0.519 61.815 62.300 0.055 0.000 0.906 188 V CB 1.288 33.155 31.823 0.073 0.000 0.995 188 V HN 0.495 nan 8.190 nan 0.000 0.467 189 V N 6.810 126.739 119.914 0.025 0.000 2.417 189 V HA 0.508 4.628 4.120 -0.000 0.000 0.291 189 V C -0.138 175.943 176.094 -0.022 0.000 1.024 189 V CA -0.440 61.855 62.300 -0.008 0.000 0.861 189 V CB 1.734 33.535 31.823 -0.036 0.000 0.985 189 V HN 0.682 nan 8.190 nan 0.000 0.436 190 I N 6.599 127.147 120.570 -0.038 0.000 2.354 190 I HA 0.365 4.535 4.170 -0.000 0.000 0.286 190 I C -2.554 173.505 176.117 -0.096 0.000 1.007 190 I CA -2.013 59.255 61.300 -0.053 0.000 1.167 190 I CB 2.198 40.170 38.000 -0.046 0.000 1.320 190 I HN 0.412 nan 8.210 nan 0.000 0.458 191 P HA 0.227 nan 4.420 nan 0.000 0.273 191 P C 0.199 177.382 177.300 -0.195 0.000 1.428 191 P CA -0.063 62.961 63.100 -0.127 0.000 0.995 191 P CB 0.209 31.861 31.700 -0.079 0.000 1.286 192 N N 2.083 120.572 118.700 -0.350 0.000 2.132 192 N HA -0.271 4.468 4.740 -0.000 0.000 0.191 192 N C 1.598 176.782 175.510 -0.543 0.000 1.015 192 N CA 0.881 53.518 53.050 -0.689 0.000 0.864 192 N CB -0.032 37.632 38.487 -1.372 0.000 1.006 192 N HN 0.410 nan 8.380 nan 0.000 0.430 193 E N 1.555 121.612 120.200 -0.237 0.000 2.160 193 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 193 E C 1.228 177.936 176.600 0.180 0.000 0.991 193 E CA 1.272 57.776 56.400 0.172 0.000 0.810 193 E CB 0.107 29.899 29.700 0.154 0.000 0.742 193 E HN 0.129 nan 8.360 nan 0.000 0.466 194 K N -0.095 120.329 120.400 0.040 0.000 2.362 194 K HA -0.057 4.263 4.320 -0.000 0.000 0.200 194 K C 1.642 178.265 176.600 0.039 0.000 1.046 194 K CA 0.258 56.575 56.287 0.049 0.000 0.952 194 K CB -0.191 32.313 32.500 0.006 0.000 0.753 194 K HN 0.216 nan 8.250 nan 0.000 0.466 195 L N -0.054 121.158 121.223 -0.018 0.000 2.187 195 L HA -0.092 4.248 4.340 -0.000 0.000 0.213 195 L C 1.767 178.582 176.870 -0.092 0.000 1.100 195 L CA 1.365 56.157 54.840 -0.080 0.000 0.765 195 L CB -1.002 40.980 42.059 -0.128 0.000 0.904 195 L HN 0.025 nan 8.230 nan 0.000 0.437 196 F N -0.270 119.735 119.950 0.091 0.000 2.604 196 F HA -0.060 4.466 4.527 -0.000 0.000 0.298 196 F C 2.321 178.135 175.800 0.023 0.000 1.131 196 F CA 0.545 58.570 58.000 0.043 0.000 1.457 196 F CB -0.287 38.735 39.000 0.036 0.000 1.095 196 F HN 0.239 nan 8.300 nan 0.000 0.574 197 E N -0.308 119.996 120.200 0.174 0.000 2.318 197 E HA 0.001 4.351 4.350 -0.000 0.000 0.193 197 E C 2.200 178.838 176.600 0.065 0.000 0.998 197 E CA 0.405 56.868 56.400 0.104 0.000 0.859 197 E CB 0.101 29.847 29.700 0.077 0.000 0.812 197 E HN 0.398 nan 8.360 nan 0.000 0.492 198 I N 0.218 120.816 120.570 0.047 0.000 2.480 198 I HA -0.053 4.117 4.170 -0.000 0.000 0.251 198 I C 0.952 177.084 176.117 0.024 0.000 1.124 198 I CA 0.524 61.837 61.300 0.022 0.000 1.444 198 I CB 0.779 38.779 38.000 0.000 0.000 1.098 198 I HN -0.113 nan 8.210 nan 0.000 0.428 199 V N 2.226 122.160 119.914 0.032 0.000 2.465 199 V HA 0.286 4.406 4.120 -0.000 0.000 0.263 199 V C -2.024 174.128 176.094 0.095 0.000 0.981 199 V CA -1.521 60.802 62.300 0.037 0.000 0.838 199 V CB 1.164 32.988 31.823 0.003 0.000 1.068 199 V HN -0.061 nan 8.190 nan 0.000 0.458 200 P HA -0.133 nan 4.420 nan 0.000 0.216 200 P C 0.724 178.089 177.300 0.107 0.000 1.153 200 P CA 1.710 64.878 63.100 0.113 0.000 0.858 200 P CB 0.007 31.743 31.700 0.060 0.000 0.789 201 N N -1.259 117.483 118.700 0.071 0.000 2.389 201 N HA 0.061 4.801 4.740 -0.000 0.000 0.237 201 N C 0.156 175.704 175.510 0.064 0.000 1.148 201 N CA -0.164 52.918 53.050 0.053 0.000 0.854 201 N CB -1.127 37.376 38.487 0.027 0.000 1.115 201 N HN 0.152 nan 8.380 nan 0.000 0.492 202 M N 0.871 120.539 119.600 0.114 0.000 2.227 202 M HA 0.294 4.774 4.480 -0.000 0.000 0.349 202 M C -2.429 173.930 176.300 0.098 0.000 1.443 202 M CA -1.509 53.841 55.300 0.083 0.000 1.110 202 M CB 0.540 33.161 32.600 0.035 0.000 1.773 202 M HN -0.034 nan 8.290 nan 0.000 0.463 203 P HA 0.002 nan 4.420 nan 0.000 0.271 203 P C 0.603 177.906 177.300 0.005 0.000 1.220 203 P CA -0.508 62.605 63.100 0.020 0.000 0.768 203 P CB 0.573 32.276 31.700 0.005 0.000 0.848 204 L N 3.522 124.747 121.223 0.003 0.000 2.089 204 L HA -0.223 4.116 4.340 -0.000 0.000 0.213 204 L C 2.026 178.857 176.870 -0.065 0.000 1.079 204 L CA 2.243 57.059 54.840 -0.040 0.000 0.758 204 L CB -1.266 40.768 42.059 -0.040 0.000 0.891 204 L HN 0.563 nan 8.230 nan 0.000 0.433 205 K N -1.118 119.269 120.400 -0.020 0.000 2.519 205 K HA -0.159 4.161 4.320 -0.000 0.000 0.196 205 K C 1.425 178.029 176.600 0.007 0.000 1.041 205 K CA 0.954 57.245 56.287 0.007 0.000 0.954 205 K CB -0.063 32.445 32.500 0.014 0.000 0.774 205 K HN 0.155 nan 8.250 nan 0.000 0.480 206 L N 0.093 121.297 121.223 -0.032 0.000 2.766 206 L HA 0.343 4.683 4.340 -0.000 0.000 0.242 206 L C 2.018 178.831 176.870 -0.096 0.000 1.136 206 L CA 0.429 55.250 54.840 -0.032 0.000 0.933 206 L CB 0.230 42.272 42.059 -0.027 0.000 1.241 206 L HN 0.248 nan 8.230 nan 0.000 0.522 207 A N -0.163 122.513 122.820 -0.240 0.000 1.903 207 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 207 A C 1.997 179.400 177.584 -0.301 0.000 1.191 207 A CA 2.151 53.877 52.037 -0.518 0.000 0.638 207 A CB -0.801 17.560 19.000 -1.065 0.000 0.823 207 A HN 0.319 nan 8.150 nan 0.000 0.451 208 F N -0.379 119.590 119.950 0.033 0.000 2.367 208 F HA 0.034 4.561 4.527 -0.000 0.000 0.298 208 F C 2.241 178.077 175.800 0.060 0.000 1.094 208 F CA 1.101 59.172 58.000 0.118 0.000 1.409 208 F CB -0.050 39.010 39.000 0.099 0.000 1.064 208 F HN 0.025 nan 8.300 nan 0.000 0.528 209 K N 0.231 120.733 120.400 0.170 0.000 2.148 209 K HA -0.040 4.280 4.320 -0.000 0.000 0.204 209 K C 2.200 178.837 176.600 0.061 0.000 1.050 209 K CA 0.804 57.150 56.287 0.098 0.000 0.942 209 K CB -0.717 31.819 32.500 0.059 0.000 0.724 209 K HN 0.175 nan 8.250 nan 0.000 0.446 210 V N 1.157 121.092 119.914 0.035 0.000 2.407 210 V HA -0.144 3.976 4.120 -0.000 0.000 0.245 210 V C 2.410 178.520 176.094 0.027 0.000 1.041 210 V CA 1.679 63.983 62.300 0.006 0.000 1.040 210 V CB -0.641 31.154 31.823 -0.046 0.000 0.671 210 V HN 0.227 nan 8.190 nan 0.000 0.455 211 A N 0.032 122.897 122.820 0.074 0.000 1.908 211 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 211 A C 1.951 179.573 177.584 0.063 0.000 1.181 211 A CA 2.128 54.205 52.037 0.065 0.000 0.627 211 A CB -0.674 18.407 19.000 0.136 0.000 0.818 211 A HN 0.524 nan 8.150 nan 0.000 0.445 212 D N -0.539 119.917 120.400 0.094 0.000 2.106 212 D HA -0.160 4.480 4.640 -0.000 0.000 0.191 212 D C 1.928 178.248 176.300 0.033 0.000 0.997 212 D CA 1.707 55.746 54.000 0.065 0.000 0.834 212 D CB -0.327 40.514 40.800 0.069 0.000 0.956 212 D HN 0.479 nan 8.370 nan 0.000 0.448 213 E N 0.112 120.328 120.200 0.026 0.000 2.085 213 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 213 E C 2.128 178.729 176.600 0.002 0.000 0.994 213 E CA 0.484 56.890 56.400 0.010 0.000 0.801 213 E CB -0.230 29.473 29.700 0.005 0.000 0.743 213 E HN 0.072 nan 8.360 nan 0.000 0.453 214 V N 0.418 120.333 119.914 0.001 0.000 2.358 214 V HA -0.231 3.888 4.120 -0.000 0.000 0.246 214 V C 2.446 178.539 176.094 -0.001 0.000 1.047 214 V CA 1.521 63.817 62.300 -0.007 0.000 1.035 214 V CB -0.454 31.358 31.823 -0.019 0.000 0.658 214 V HN 0.287 nan 8.190 nan 0.000 0.452 215 L N -0.838 120.388 121.223 0.004 0.000 1.989 215 L HA -0.223 4.116 4.340 -0.000 0.000 0.211 215 L C 2.383 179.257 176.870 0.007 0.000 1.071 215 L CA 1.828 56.674 54.840 0.009 0.000 0.749 215 L CB -0.390 41.679 42.059 0.017 0.000 0.890 215 L HN 0.247 nan 8.230 nan 0.000 0.431 216 I N -0.121 120.451 120.570 0.004 0.000 2.208 216 I HA -0.337 3.833 4.170 -0.000 0.000 0.245 216 I C 2.304 178.414 176.117 -0.012 0.000 1.097 216 I CA 1.427 62.723 61.300 -0.006 0.000 1.363 216 I CB -0.543 37.453 38.000 -0.006 0.000 1.051 216 I HN 0.294 nan 8.210 nan 0.000 0.413 217 N N 0.381 119.075 118.700 -0.010 0.000 2.223 217 N HA -0.134 4.606 4.740 -0.000 0.000 0.185 217 N C 1.887 177.395 175.510 -0.004 0.000 1.016 217 N CA 1.506 54.547 53.050 -0.016 0.000 0.863 217 N CB -0.101 38.375 38.487 -0.018 0.000 0.983 217 N HN 0.409 nan 8.380 nan 0.000 0.429 218 A N 0.745 123.570 122.820 0.008 0.000 1.854 218 A HA -0.039 4.281 4.320 -0.000 0.000 0.214 218 A C 2.535 180.138 177.584 0.031 0.000 1.192 218 A CA 1.058 53.113 52.037 0.030 0.000 0.611 218 A CB -0.711 18.311 19.000 0.035 0.000 0.832 218 A HN 0.072 nan 8.150 nan 0.000 0.442 219 V N 0.296 120.213 119.914 0.006 0.000 2.244 219 V HA -0.241 3.879 4.120 -0.000 0.000 0.244 219 V C 2.552 178.574 176.094 -0.120 0.000 1.042 219 V CA 2.360 64.632 62.300 -0.047 0.000 1.006 219 V CB -0.694 31.105 31.823 -0.039 0.000 0.641 219 V HN 0.668 nan 8.190 nan 0.000 0.446 220 K N 0.258 120.613 120.400 -0.075 0.000 2.032 220 K HA -0.167 4.153 4.320 -0.000 0.000 0.209 220 K C 2.168 178.757 176.600 -0.018 0.000 1.048 220 K CA 1.744 57.989 56.287 -0.069 0.000 0.927 220 K CB -0.715 31.760 32.500 -0.041 0.000 0.712 220 K HN 0.484 nan 8.250 nan 0.000 0.441 221 G N 1.404 110.215 108.800 0.018 0.000 2.440 221 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 221 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 221 G C 1.496 176.536 174.900 0.234 0.000 1.154 221 G CA 0.792 45.965 45.100 0.121 0.000 0.767 221 G HN 0.253 nan 8.290 nan 0.000 0.552 222 L N -0.109 121.170 121.223 0.093 0.000 2.044 222 L HA -0.045 4.295 4.340 -0.000 0.000 0.205 222 L C 3.051 179.914 176.870 -0.012 0.000 1.075 222 L CA 0.543 55.441 54.840 0.096 0.000 0.747 222 L CB -0.251 41.907 42.059 0.165 0.000 0.903 222 L HN 0.125 nan 8.230 nan 0.000 0.435 223 V N -0.076 119.695 119.914 -0.238 0.000 2.295 223 V HA -0.282 3.837 4.120 -0.000 0.000 0.246 223 V C 2.322 178.355 176.094 -0.102 0.000 1.049 223 V CA 1.866 63.977 62.300 -0.316 0.000 1.024 223 V CB -0.474 31.077 31.823 -0.454 0.000 0.648 223 V HN 0.481 nan 8.190 nan 0.000 0.447 224 E N -0.105 120.075 120.200 -0.032 0.000 2.204 224 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 224 E C 2.109 178.676 176.600 -0.056 0.000 0.989 224 E CA 1.007 57.419 56.400 0.020 0.000 0.824 224 E CB -0.231 29.539 29.700 0.116 0.000 0.756 224 E HN 0.466 nan 8.360 nan 0.000 0.477 225 L N 1.040 122.152 121.223 -0.185 0.000 2.127 225 L HA -0.156 4.184 4.340 -0.000 0.000 0.211 225 L C 1.868 178.607 176.870 -0.218 0.000 1.089 225 L CA 1.593 56.107 54.840 -0.543 0.000 0.757 225 L CB -0.135 41.681 42.059 -0.405 0.000 0.899 225 L HN 0.052 nan 8.230 nan 0.000 0.434 226 I N -1.280 119.249 120.570 -0.068 0.000 2.731 226 I HA -0.095 4.075 4.170 -0.000 0.000 0.260 226 I C 2.004 178.115 176.117 -0.010 0.000 1.138 226 I CA 1.182 62.493 61.300 0.020 0.000 1.461 226 I CB -0.407 37.683 38.000 0.150 0.000 1.128 226 I HN 0.423 nan 8.210 nan 0.000 0.438 227 T N -2.305 112.229 114.554 -0.033 0.000 3.014 227 T HA 0.084 4.433 4.350 -0.000 0.000 0.250 227 T C 0.825 175.502 174.700 -0.039 0.000 1.060 227 T CA -0.177 61.897 62.100 -0.044 0.000 1.040 227 T CB 0.107 68.946 68.868 -0.049 0.000 0.971 227 T HN 0.007 nan 8.240 nan 0.000 0.497 228 K N 2.061 122.440 120.400 -0.034 0.000 2.201 228 K HA 0.207 4.527 4.320 -0.000 0.000 0.278 228 K C -0.978 175.608 176.600 -0.023 0.000 1.027 228 K CA -0.662 55.616 56.287 -0.015 0.000 0.909 228 K CB 0.580 33.094 32.500 0.023 0.000 1.062 228 K HN 0.110 nan 8.250 nan 0.000 0.465 229 D N 2.630 123.020 120.400 -0.017 0.000 2.458 229 D HA 0.109 4.749 4.640 -0.000 0.000 0.243 229 D C 0.224 176.518 176.300 -0.009 0.000 1.146 229 D CA 0.523 54.511 54.000 -0.021 0.000 0.877 229 D CB 1.484 42.274 40.800 -0.015 0.000 1.176 229 D HN 0.747 nan 8.370 nan 0.000 0.461 230 G N 0.471 109.257 108.800 -0.023 0.000 3.176 230 G HA2 0.356 4.315 3.960 -0.000 0.000 0.272 230 G HA3 0.356 4.315 3.960 -0.000 0.000 0.272 230 G C 0.767 175.660 174.900 -0.012 0.000 1.349 230 G CA -0.686 44.411 45.100 -0.004 0.000 0.953 230 G HN 0.417 nan 8.290 nan 0.000 0.559 231 L N -0.407 120.821 121.223 0.008 0.000 2.551 231 L HA 0.353 4.693 4.340 -0.000 0.000 0.228 231 L C 0.662 177.517 176.870 -0.024 0.000 1.153 231 L CA 0.810 55.658 54.840 0.014 0.000 0.851 231 L CB -0.301 41.794 42.059 0.061 0.000 0.959 231 L HN 0.249 nan 8.230 nan 0.000 0.451 232 I N -1.114 119.399 120.570 -0.095 0.000 2.775 232 I HA 0.183 4.353 4.170 -0.000 0.000 0.295 232 I C -0.771 175.217 176.117 -0.215 0.000 1.287 232 I CA -0.732 60.457 61.300 -0.185 0.000 1.029 232 I CB 2.281 40.058 38.000 -0.371 0.000 1.282 232 I HN -0.131 nan 8.210 nan 0.000 0.426 233 N N 4.761 123.353 118.700 -0.180 0.000 2.492 233 N HA 0.288 5.028 4.740 -0.000 0.000 0.262 233 N C -1.376 174.013 175.510 -0.203 0.000 1.202 233 N CA 0.067 53.027 53.050 -0.151 0.000 0.926 233 N CB 1.064 39.491 38.487 -0.100 0.000 1.078 233 N HN 0.309 nan 8.380 nan 0.000 0.454 234 V N 3.058 122.878 119.914 -0.157 0.000 2.357 234 V HA 0.166 4.286 4.120 -0.000 0.000 0.284 234 V C -0.285 175.776 176.094 -0.056 0.000 1.018 234 V CA -0.826 61.385 62.300 -0.149 0.000 0.841 234 V CB 1.005 32.744 31.823 -0.140 0.000 0.991 234 V HN 0.763 nan 8.190 nan 0.000 0.437 235 D N 2.932 123.303 120.400 -0.048 0.000 2.312 235 D HA 0.133 4.773 4.640 -0.000 0.000 0.252 235 D C 0.710 177.051 176.300 0.068 0.000 1.150 235 D CA -0.227 53.780 54.000 0.011 0.000 0.870 235 D CB 0.803 41.593 40.800 -0.017 0.000 1.153 235 D HN 0.361 nan 8.370 nan 0.000 0.457 236 F N 4.374 124.306 119.950 -0.031 0.000 2.171 236 F HA -0.106 4.421 4.527 -0.000 0.000 0.300 236 F C 2.008 177.803 175.800 -0.008 0.000 1.090 236 F CA 1.609 59.602 58.000 -0.012 0.000 1.293 236 F CB -0.400 38.600 39.000 -0.001 0.000 1.013 236 F HN 0.510 nan 8.300 nan 0.000 0.486 237 A N -0.051 122.728 122.820 -0.070 0.000 1.902 237 A HA -0.203 4.116 4.320 -0.000 0.000 0.217 237 A C 2.061 179.543 177.584 -0.169 0.000 1.181 237 A CA 1.995 53.938 52.037 -0.157 0.000 0.623 237 A CB -0.984 17.988 19.000 -0.046 0.000 0.818 237 A HN 0.417 nan 8.150 nan 0.000 0.443 238 D N -0.239 120.099 120.400 -0.103 0.000 2.144 238 D HA -0.095 4.544 4.640 -0.000 0.000 0.199 238 D C 2.092 178.328 176.300 -0.106 0.000 0.984 238 D CA 1.438 55.389 54.000 -0.082 0.000 0.834 238 D CB -0.366 40.404 40.800 -0.049 0.000 0.955 238 D HN 0.240 nan 8.370 nan 0.000 0.465 239 V N 1.237 121.069 119.914 -0.136 0.000 2.343 239 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 239 V C 2.405 178.374 176.094 -0.209 0.000 1.051 239 V CA 1.448 63.671 62.300 -0.128 0.000 1.036 239 V CB -0.358 31.420 31.823 -0.075 0.000 0.654 239 V HN 0.157 nan 8.190 nan 0.000 0.451 240 K N 0.185 120.360 120.400 -0.375 0.000 2.026 240 K HA -0.168 4.151 4.320 -0.000 0.000 0.208 240 K C 2.374 178.863 176.600 -0.185 0.000 1.048 240 K CA 1.549 57.629 56.287 -0.346 0.000 0.929 240 K CB -0.488 31.755 32.500 -0.428 0.000 0.713 240 K HN 0.464 nan 8.250 nan 0.000 0.439 241 A N 0.908 123.639 122.820 -0.149 0.000 1.917 241 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 241 A C 2.334 179.878 177.584 -0.066 0.000 1.182 241 A CA 1.755 53.738 52.037 -0.090 0.000 0.633 241 A CB -0.673 18.285 19.000 -0.069 0.000 0.819 241 A HN 0.113 nan 8.150 nan 0.000 0.448 242 V N -0.359 119.519 119.914 -0.061 0.000 2.453 242 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 242 V C 2.492 178.564 176.094 -0.038 0.000 1.048 242 V CA 1.916 64.195 62.300 -0.034 0.000 1.049 242 V CB -0.532 31.283 31.823 -0.013 0.000 0.672 242 V HN 0.558 nan 8.190 nan 0.000 0.457 243 M N -0.102 119.462 119.600 -0.059 0.000 2.514 243 M HA 0.025 4.505 4.480 -0.000 0.000 0.258 243 M C 1.972 178.230 176.300 -0.070 0.000 1.119 243 M CA 0.687 55.950 55.300 -0.061 0.000 1.111 243 M CB -0.706 31.848 32.600 -0.076 0.000 1.390 243 M HN 0.394 nan 8.290 nan 0.000 0.475 244 N N 2.066 120.719 118.700 -0.078 0.000 2.137 244 N HA -0.177 4.563 4.740 -0.000 0.000 0.190 244 N C 0.245 175.725 175.510 -0.051 0.000 1.017 244 N CA 1.437 54.445 53.050 -0.070 0.000 0.859 244 N CB 0.036 38.481 38.487 -0.070 0.000 1.002 244 N HN 0.244 nan 8.380 nan 0.000 0.428 245 N N -1.644 117.030 118.700 -0.043 0.000 2.517 245 N HA 0.294 5.033 4.740 -0.000 0.000 0.285 245 N C 0.572 176.066 175.510 -0.026 0.000 1.528 245 N CA 0.095 53.125 53.050 -0.034 0.000 0.892 245 N CB 0.743 39.212 38.487 -0.031 0.000 1.356 245 N HN 0.211 nan 8.380 nan 0.000 0.495 246 G N -0.014 108.771 108.800 -0.025 0.000 2.479 246 G HA2 0.116 4.076 3.960 -0.000 0.000 0.220 246 G HA3 0.116 4.076 3.960 -0.000 0.000 0.220 246 G C 1.107 176.005 174.900 -0.004 0.000 1.115 246 G CA 0.647 45.740 45.100 -0.011 0.000 0.757 246 G HN 0.567 nan 8.290 nan 0.000 0.560 247 G N -0.199 108.596 108.800 -0.009 0.000 2.583 247 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.292 247 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.292 247 G C -0.003 174.909 174.900 0.020 0.000 1.203 247 G CA 0.128 45.225 45.100 -0.004 0.000 0.987 247 G HN 0.783 nan 8.290 nan 0.000 0.554 248 L N 1.692 122.936 121.223 0.037 0.000 2.276 248 L HA 0.716 5.056 4.340 -0.000 0.000 0.286 248 L C 0.618 177.526 176.870 0.064 0.000 1.061 248 L CA 0.441 55.328 54.840 0.079 0.000 0.807 248 L CB 0.490 42.627 42.059 0.129 0.000 1.177 248 L HN 1.603 nan 8.230 nan 0.000 0.429 249 A N 6.480 129.338 122.820 0.063 0.000 2.413 249 A HA 0.871 5.190 4.320 -0.000 0.000 0.307 249 A C -0.876 176.738 177.584 0.049 0.000 1.087 249 A CA -0.688 51.380 52.037 0.052 0.000 0.750 249 A CB 1.972 21.001 19.000 0.048 0.000 1.296 249 A HN 0.796 nan 8.150 nan 0.000 0.423 250 M N 1.517 121.142 119.600 0.042 0.000 2.593 250 M HA 0.535 5.015 4.480 -0.000 0.000 0.290 250 M C -0.663 175.657 176.300 0.034 0.000 1.244 250 M CA -0.528 54.792 55.300 0.033 0.000 0.857 250 M CB 2.273 34.889 32.600 0.027 0.000 1.738 250 M HN 0.788 nan 8.290 nan 0.000 0.461 251 I N -1.422 119.165 120.570 0.028 0.000 2.982 251 I HA 1.061 5.230 4.170 -0.000 0.000 0.312 251 I C -0.375 175.755 176.117 0.022 0.000 1.041 251 I CA -0.716 60.602 61.300 0.031 0.000 1.053 251 I CB 2.222 40.242 38.000 0.033 0.000 1.248 251 I HN 0.660 nan 8.210 nan 0.000 0.471 252 G N 3.817 112.632 108.800 0.024 0.000 2.701 252 G HA2 0.707 4.666 3.960 -0.000 0.000 0.300 252 G HA3 0.707 4.666 3.960 -0.000 0.000 0.300 252 G C -1.384 173.526 174.900 0.016 0.000 1.410 252 G CA -0.628 44.482 45.100 0.017 0.000 1.014 252 G HN 0.623 nan 8.290 nan 0.000 0.509 253 I N 1.172 121.747 120.570 0.009 0.000 2.498 253 I HA 0.707 4.876 4.170 -0.000 0.000 0.290 253 I C 0.334 176.451 176.117 0.001 0.000 1.032 253 I CA -0.782 60.520 61.300 0.004 0.000 1.073 253 I CB 2.602 40.601 38.000 -0.002 0.000 1.251 253 I HN 0.672 nan 8.210 nan 0.000 0.426 254 G N 4.261 113.061 108.800 -0.000 0.000 2.659 254 G HA2 0.769 4.728 3.960 -0.000 0.000 0.296 254 G HA3 0.769 4.728 3.960 -0.000 0.000 0.296 254 G C -1.751 173.146 174.900 -0.005 0.000 1.369 254 G CA -0.417 44.683 45.100 -0.001 0.000 0.937 254 G HN 0.711 nan 8.290 nan 0.000 0.485 255 E N -1.087 119.110 120.200 -0.005 0.000 2.375 255 E HA 0.692 5.042 4.350 -0.000 0.000 0.280 255 E C -1.469 175.128 176.600 -0.005 0.000 0.972 255 E CA -0.984 55.412 56.400 -0.007 0.000 0.782 255 E CB 2.022 31.716 29.700 -0.011 0.000 1.229 255 E HN 0.642 nan 8.360 nan 0.000 0.439 256 S N 0.537 116.234 115.700 -0.004 0.000 2.565 256 S HA 0.377 4.847 4.470 -0.000 0.000 0.269 256 S C -1.524 173.075 174.600 -0.002 0.000 1.153 256 S CA -0.107 58.091 58.200 -0.002 0.000 0.835 256 S CB 1.458 64.657 63.200 -0.002 0.000 1.122 256 S HN 0.728 nan 8.310 nan 0.000 0.462 257 D N 0.700 121.100 120.400 -0.001 0.000 2.527 257 D HA 0.267 4.906 4.640 -0.000 0.000 0.224 257 D C 0.334 176.634 176.300 0.000 0.000 1.217 257 D CA -0.111 53.888 54.000 -0.000 0.000 0.819 257 D CB -0.028 40.771 40.800 -0.001 0.000 1.061 257 D HN 0.263 nan 8.370 nan 0.000 0.515 258 S N 0.603 116.303 115.700 -0.000 0.000 2.598 258 S HA -0.012 4.458 4.470 -0.000 0.000 0.256 258 S C 1.315 175.915 174.600 0.000 0.000 1.350 258 S CA -0.296 57.904 58.200 -0.000 0.000 0.984 258 S CB 1.442 64.642 63.200 -0.001 0.000 0.930 258 S HN 0.279 nan 8.310 nan 0.000 0.577 259 E N 0.535 120.735 120.200 -0.000 0.000 2.086 259 E HA -0.216 4.134 4.350 -0.000 0.000 0.200 259 E C -0.016 176.584 176.600 -0.000 0.000 1.012 259 E CA 1.354 57.754 56.400 -0.000 0.000 0.812 259 E CB 0.038 29.737 29.700 -0.000 0.000 0.743 259 E HN 0.205 nan 8.360 nan 0.000 0.453 260 K N 0.747 121.146 120.400 -0.001 0.000 3.000 260 K HA 0.180 4.500 4.320 -0.000 0.000 0.239 260 K C 0.589 177.188 176.600 -0.002 0.000 1.269 260 K CA -0.118 56.167 56.287 -0.003 0.000 1.220 260 K CB 0.323 32.820 32.500 -0.005 0.000 1.645 260 K HN 0.127 nan 8.250 nan 0.000 0.423 261 R N 0.347 120.847 120.500 -0.001 0.000 2.168 261 R HA -0.313 4.026 4.340 -0.000 0.000 0.242 261 R C 1.852 178.151 176.300 -0.001 0.000 1.123 261 R CA 2.188 58.288 56.100 0.000 0.000 0.928 261 R CB -0.721 29.581 30.300 0.003 0.000 0.873 261 R HN 0.420 nan 8.270 nan 0.000 0.434 262 A N 1.059 123.879 122.820 -0.000 0.000 1.902 262 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 262 A C 2.141 179.720 177.584 -0.008 0.000 1.181 262 A CA 1.746 53.782 52.037 -0.002 0.000 0.623 262 A CB -0.350 18.648 19.000 -0.003 0.000 0.818 262 A HN 0.170 nan 8.150 nan 0.000 0.443 263 K N 0.046 120.440 120.400 -0.010 0.000 2.026 263 K HA -0.112 4.208 4.320 -0.000 0.000 0.208 263 K C 1.961 178.555 176.600 -0.009 0.000 1.048 263 K CA 1.900 58.179 56.287 -0.013 0.000 0.929 263 K CB -0.222 32.271 32.500 -0.012 0.000 0.713 263 K HN 0.635 nan 8.250 nan 0.000 0.439 264 E N -0.625 119.571 120.200 -0.006 0.000 2.072 264 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 264 E C 1.962 178.560 176.600 -0.003 0.000 0.985 264 E CA 0.860 57.257 56.400 -0.004 0.000 0.801 264 E CB -0.142 29.556 29.700 -0.003 0.000 0.750 264 E HN 0.385 nan 8.360 nan 0.000 0.452 265 A N 1.165 123.983 122.820 -0.003 0.000 1.859 265 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 265 A C 2.454 180.038 177.584 -0.000 0.000 1.198 265 A CA 1.694 53.731 52.037 -0.001 0.000 0.629 265 A CB -1.045 17.954 19.000 -0.000 0.000 0.830 265 A HN 0.232 nan 8.150 nan 0.000 0.446 266 V N -0.312 119.601 119.914 -0.002 0.000 2.407 266 V HA -0.177 3.943 4.120 -0.000 0.000 0.248 266 V C 2.640 178.733 176.094 -0.003 0.000 1.055 266 V CA 2.852 65.151 62.300 -0.002 0.000 1.049 266 V CB -0.290 31.526 31.823 -0.011 0.000 0.662 266 V HN 0.661 nan 8.190 nan 0.000 0.455 267 S N -0.850 114.848 115.700 -0.004 0.000 2.382 267 S HA -0.250 4.220 4.470 -0.000 0.000 0.228 267 S C 2.050 176.650 174.600 -0.000 0.000 1.027 267 S CA 2.263 60.462 58.200 -0.003 0.000 0.991 267 S CB -0.423 62.774 63.200 -0.004 0.000 0.823 267 S HN 0.679 nan 8.310 nan 0.000 0.469 268 M N 0.773 120.373 119.600 0.001 0.000 2.132 268 M HA -0.027 4.453 4.480 -0.000 0.000 0.263 268 M C 2.126 178.428 176.300 0.004 0.000 1.065 268 M CA 1.615 56.916 55.300 0.002 0.000 1.122 268 M CB -0.459 32.141 32.600 0.001 0.000 1.365 268 M HN 0.464 nan 8.290 nan 0.000 0.411 269 A N 0.595 123.418 122.820 0.005 0.000 1.877 269 A HA -0.145 4.174 4.320 -0.000 0.000 0.216 269 A C 1.978 179.568 177.584 0.010 0.000 1.186 269 A CA 1.517 53.559 52.037 0.009 0.000 0.620 269 A CB -1.079 17.929 19.000 0.013 0.000 0.822 269 A HN 0.579 nan 8.150 nan 0.000 0.443 270 L N -0.809 120.418 121.223 0.007 0.000 2.191 270 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 270 L C 1.544 178.418 176.870 0.007 0.000 1.103 270 L CA 1.445 56.289 54.840 0.007 0.000 0.769 270 L CB -0.420 41.641 42.059 0.003 0.000 0.908 270 L HN 0.440 nan 8.230 nan 0.000 0.438 271 N N -1.427 117.276 118.700 0.006 0.000 2.280 271 N HA -0.008 4.731 4.740 -0.000 0.000 0.192 271 N C 0.414 175.929 175.510 0.009 0.000 1.109 271 N CA -0.139 52.915 53.050 0.007 0.000 0.855 271 N CB 0.388 38.878 38.487 0.006 0.000 0.974 271 N HN 0.018 nan 8.380 nan 0.000 0.482 272 S N 1.690 117.395 115.700 0.008 0.000 2.552 272 S HA 0.042 4.512 4.470 -0.000 0.000 0.289 272 S C -1.255 173.351 174.600 0.009 0.000 1.304 272 S CA -1.225 56.980 58.200 0.008 0.000 1.063 272 S CB 0.632 63.836 63.200 0.007 0.000 0.848 272 S HN 0.148 nan 8.310 nan 0.000 0.499 273 P HA -0.038 nan 4.420 nan 0.000 0.226 273 P C 1.301 178.605 177.300 0.007 0.000 1.153 273 P CA 0.357 63.465 63.100 0.013 0.000 0.777 273 P CB 0.079 31.792 31.700 0.022 0.000 0.794 274 L N -0.941 120.283 121.223 0.001 0.000 2.201 274 L HA -0.062 4.278 4.340 -0.000 0.000 0.212 274 L C 1.671 178.541 176.870 -0.001 0.000 1.105 274 L CA 1.251 56.087 54.840 -0.007 0.000 0.775 274 L CB -1.531 40.521 42.059 -0.010 0.000 0.913 274 L HN 0.000 nan 8.230 nan 0.000 0.440 275 L N 0.359 121.586 121.223 0.007 0.000 2.583 275 L HA 0.154 4.494 4.340 -0.000 0.000 0.239 275 L C 0.044 176.921 176.870 0.013 0.000 1.347 275 L CA -0.026 54.821 54.840 0.012 0.000 1.246 275 L CB -0.934 41.134 42.059 0.015 0.000 1.496 275 L HN 0.026 nan 8.230 nan 0.000 0.413 276 D N 1.267 121.673 120.400 0.010 0.000 2.600 276 D HA 0.298 4.938 4.640 -0.000 0.000 0.226 276 D C -0.642 175.669 176.300 0.018 0.000 1.119 276 D CA 0.383 54.390 54.000 0.012 0.000 1.051 276 D CB 0.022 40.826 40.800 0.007 0.000 1.106 276 D HN 0.162 nan 8.370 nan 0.000 0.491 277 V N 1.918 121.844 119.914 0.020 0.000 3.279 277 V HA 0.173 4.293 4.120 -0.000 0.000 0.281 277 V C -1.564 174.542 176.094 0.021 0.000 1.601 277 V CA -1.069 61.245 62.300 0.024 0.000 1.044 277 V CB 2.154 33.996 31.823 0.031 0.000 1.205 277 V HN 0.129 nan 8.190 nan 0.000 0.464 278 D N 2.099 122.511 120.400 0.020 0.000 2.339 278 D HA 0.369 5.009 4.640 -0.000 0.000 0.256 278 D C 1.361 177.670 176.300 0.016 0.000 1.214 278 D CA 0.501 54.510 54.000 0.016 0.000 0.877 278 D CB 0.899 41.708 40.800 0.015 0.000 1.111 278 D HN 0.593 nan 8.370 nan 0.000 0.478 279 I N 0.472 121.051 120.570 0.014 0.000 3.226 279 I HA 0.042 4.212 4.170 -0.000 0.000 0.277 279 I C 1.289 177.412 176.117 0.011 0.000 1.243 279 I CA 0.040 61.349 61.300 0.014 0.000 1.459 279 I CB -0.072 37.936 38.000 0.014 0.000 1.093 279 I HN 0.197 nan 8.210 nan 0.000 0.453 280 D N 2.371 122.776 120.400 0.009 0.000 2.265 280 D HA -0.156 4.484 4.640 -0.000 0.000 0.208 280 D C 1.753 178.057 176.300 0.006 0.000 0.977 280 D CA 1.294 55.297 54.000 0.006 0.000 0.871 280 D CB -0.744 40.059 40.800 0.005 0.000 0.925 280 D HN 0.439 nan 8.370 nan 0.000 0.485 281 G N -0.515 108.290 108.800 0.008 0.000 3.702 281 G HA2 0.467 4.427 3.960 -0.000 0.000 0.288 281 G HA3 0.467 4.427 3.960 -0.000 0.000 0.288 281 G C 0.126 175.031 174.900 0.009 0.000 1.193 281 G CA -0.011 45.094 45.100 0.007 0.000 0.952 281 G HN 0.507 nan 8.290 nan 0.000 0.544 282 A N -0.438 122.388 122.820 0.010 0.000 2.331 282 A HA 0.599 4.918 4.320 -0.000 0.000 0.283 282 A C 1.269 178.859 177.584 0.010 0.000 1.142 282 A CA -0.155 51.889 52.037 0.013 0.000 0.812 282 A CB 0.830 19.840 19.000 0.016 0.000 1.074 282 A HN 0.114 nan 8.150 nan 0.000 0.497 283 T N 1.095 115.655 114.554 0.010 0.000 3.054 283 T HA 0.387 4.737 4.350 -0.000 0.000 0.259 283 T C 0.887 175.594 174.700 0.011 0.000 1.092 283 T CA 1.129 63.233 62.100 0.007 0.000 1.121 283 T CB 0.030 68.900 68.868 0.003 0.000 0.912 283 T HN 1.243 nan 8.240 nan 0.000 0.489 284 G N -0.295 108.515 108.800 0.017 0.000 2.495 284 G HA2 0.666 4.626 3.960 -0.000 0.000 0.294 284 G HA3 0.666 4.626 3.960 -0.000 0.000 0.294 284 G C -2.188 172.732 174.900 0.033 0.000 1.397 284 G CA -0.150 44.964 45.100 0.024 0.000 0.790 284 G HN 0.357 nan 8.290 nan 0.000 0.486 285 A N -0.870 121.977 122.820 0.045 0.000 2.604 285 A HA 0.787 5.107 4.320 -0.000 0.000 0.295 285 A C -1.721 175.911 177.584 0.080 0.000 1.067 285 A CA -0.536 51.536 52.037 0.058 0.000 0.683 285 A CB 1.277 20.309 19.000 0.053 0.000 1.281 285 A HN 1.032 nan 8.150 nan 0.000 0.407 286 L N 1.753 123.030 121.223 0.090 0.000 2.349 286 L HA 0.612 4.952 4.340 -0.000 0.000 0.278 286 L C -0.985 175.966 176.870 0.135 0.000 0.996 286 L CA -0.235 54.672 54.840 0.111 0.000 0.825 286 L CB 1.605 43.725 42.059 0.102 0.000 1.243 286 L HN 0.596 nan 8.230 nan 0.000 0.412 287 I N 2.403 123.081 120.570 0.181 0.000 2.389 287 I HA 0.319 4.488 4.170 -0.000 0.000 0.288 287 I C -0.560 175.720 176.117 0.271 0.000 0.999 287 I CA -0.446 60.977 61.300 0.204 0.000 1.129 287 I CB 1.689 39.808 38.000 0.198 0.000 1.288 287 I HN 0.610 nan 8.210 nan 0.000 0.444 288 H N 5.914 125.056 119.070 0.119 0.000 2.708 288 H HA 0.549 5.104 4.556 -0.000 0.000 0.320 288 H C -1.406 173.979 175.328 0.095 0.000 0.991 288 H CA -0.789 55.323 56.048 0.108 0.000 1.243 288 H CB 1.463 31.268 29.762 0.071 0.000 1.446 288 H HN 0.327 nan 8.280 nan 0.000 0.502 289 V N 7.251 127.384 119.914 0.364 0.000 2.407 289 V HA 0.263 4.382 4.120 -0.000 0.000 0.278 289 V C -0.037 176.121 176.094 0.107 0.000 1.037 289 V CA -0.268 62.136 62.300 0.173 0.000 0.900 289 V CB 1.207 33.142 31.823 0.186 0.000 0.983 289 V HN 0.791 nan 8.190 nan 0.000 0.459 290 M N 4.119 123.698 119.600 -0.035 0.000 2.326 290 M HA 0.802 5.282 4.480 -0.000 0.000 0.306 290 M C 0.203 176.491 176.300 -0.021 0.000 1.054 290 M CA -0.122 55.138 55.300 -0.067 0.000 0.922 290 M CB 2.383 34.860 32.600 -0.205 0.000 1.632 290 M HN 0.793 nan 8.290 nan 0.000 0.436 291 G N 1.984 110.786 108.800 0.003 0.000 2.663 291 G HA2 0.781 4.741 3.960 -0.000 0.000 0.299 291 G HA3 0.781 4.741 3.960 -0.000 0.000 0.299 291 G C -3.408 171.498 174.900 0.010 0.000 1.372 291 G CA -1.012 44.093 45.100 0.007 0.000 0.781 291 G HN 0.362 nan 8.290 nan 0.000 0.491 292 P HA 0.209 nan 4.420 nan 0.000 0.289 292 P C 0.304 177.613 177.300 0.015 0.000 1.299 292 P CA -0.091 63.014 63.100 0.009 0.000 0.766 292 P CB 1.366 33.069 31.700 0.006 0.000 1.226 293 E N -0.141 120.066 120.200 0.013 0.000 2.267 293 E HA -0.205 4.144 4.350 -0.000 0.000 0.197 293 E C 0.900 177.510 176.600 0.017 0.000 0.998 293 E CA 1.615 58.024 56.400 0.015 0.000 0.830 293 E CB -0.539 29.168 29.700 0.011 0.000 0.751 293 E HN 0.576 nan 8.360 nan 0.000 0.491 294 D N 0.457 120.866 120.400 0.016 0.000 2.349 294 D HA -0.032 4.608 4.640 -0.000 0.000 0.224 294 D C 0.504 176.817 176.300 0.022 0.000 1.029 294 D CA -0.142 53.868 54.000 0.017 0.000 0.879 294 D CB -0.171 40.636 40.800 0.013 0.000 0.906 294 D HN 0.011 nan 8.370 nan 0.000 0.528 295 L N 1.939 123.178 121.223 0.027 0.000 2.462 295 L HA 0.267 4.607 4.340 -0.000 0.000 0.272 295 L C 0.196 177.092 176.870 0.044 0.000 1.166 295 L CA 0.241 55.103 54.840 0.036 0.000 0.880 295 L CB 0.500 42.585 42.059 0.044 0.000 1.142 295 L HN 0.197 nan 8.230 nan 0.000 0.473 296 T N 1.909 116.491 114.554 0.046 0.000 2.952 296 T HA 0.329 4.679 4.350 -0.000 0.000 0.286 296 T C 0.837 175.583 174.700 0.076 0.000 1.024 296 T CA -0.773 61.358 62.100 0.052 0.000 1.029 296 T CB 1.151 70.043 68.868 0.039 0.000 1.094 296 T HN 0.573 nan 8.240 nan 0.000 0.515 297 L N 0.759 122.037 121.223 0.091 0.000 2.201 297 L HA 0.051 4.391 4.340 -0.000 0.000 0.212 297 L C 2.488 179.423 176.870 0.108 0.000 1.105 297 L CA 1.683 56.609 54.840 0.143 0.000 0.775 297 L CB -0.958 41.190 42.059 0.149 0.000 0.913 297 L HN 0.716 nan 8.230 nan 0.000 0.440 298 E N -0.153 120.083 120.200 0.060 0.000 2.110 298 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 298 E C 2.012 178.612 176.600 0.001 0.000 0.988 298 E CA 1.232 57.646 56.400 0.023 0.000 0.804 298 E CB -0.118 29.593 29.700 0.018 0.000 0.745 298 E HN 0.645 nan 8.360 nan 0.000 0.458 299 E N 0.960 121.170 120.200 0.017 0.000 2.047 299 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 299 E C 2.109 178.706 176.600 -0.005 0.000 0.987 299 E CA 1.003 57.407 56.400 0.007 0.000 0.799 299 E CB -0.146 29.567 29.700 0.022 0.000 0.752 299 E HN 0.198 nan 8.360 nan 0.000 0.449 300 A N 1.543 124.383 122.820 0.033 0.000 1.940 300 A HA -0.232 4.087 4.320 -0.000 0.000 0.219 300 A C 2.123 179.603 177.584 -0.172 0.000 1.176 300 A CA 1.771 53.831 52.037 0.037 0.000 0.631 300 A CB -0.444 18.702 19.000 0.242 0.000 0.814 300 A HN 0.031 nan 8.150 nan 0.000 0.446 301 R N 0.076 120.457 120.500 -0.199 0.000 2.081 301 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 301 R C 2.124 178.264 176.300 -0.266 0.000 1.131 301 R CA 1.960 57.848 56.100 -0.354 0.000 0.960 301 R CB -0.428 29.765 30.300 -0.179 0.000 0.856 301 R HN 0.712 nan 8.270 nan 0.000 0.436 302 E N -0.620 119.492 120.200 -0.148 0.000 2.110 302 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 302 E C 1.661 178.194 176.600 -0.112 0.000 0.988 302 E CA 1.423 57.758 56.400 -0.108 0.000 0.804 302 E CB 0.111 29.774 29.700 -0.062 0.000 0.745 302 E HN 0.226 nan 8.360 nan 0.000 0.458 303 V N 0.449 120.295 119.914 -0.113 0.000 2.295 303 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 303 V C 2.423 178.439 176.094 -0.131 0.000 1.049 303 V CA 1.526 63.773 62.300 -0.088 0.000 1.024 303 V CB -0.334 31.461 31.823 -0.046 0.000 0.648 303 V HN 0.217 nan 8.190 nan 0.000 0.447 304 V N 0.344 120.109 119.914 -0.247 0.000 2.343 304 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 304 V C 2.730 178.687 176.094 -0.228 0.000 1.051 304 V CA 1.983 64.094 62.300 -0.317 0.000 1.036 304 V CB -1.252 30.137 31.823 -0.724 0.000 0.654 304 V HN 0.555 nan 8.190 nan 0.000 0.451 305 A N 0.058 122.746 122.820 -0.219 0.000 1.883 305 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 305 A C 2.415 179.942 177.584 -0.095 0.000 1.186 305 A CA 2.779 54.730 52.037 -0.143 0.000 0.624 305 A CB -1.168 17.759 19.000 -0.122 0.000 0.822 305 A HN 0.514 nan 8.150 nan 0.000 0.444 306 T N -0.307 114.197 114.554 -0.084 0.000 2.684 306 T HA -0.145 4.204 4.350 -0.000 0.000 0.267 306 T C 1.881 176.553 174.700 -0.045 0.000 1.036 306 T CA 1.696 63.764 62.100 -0.055 0.000 1.148 306 T CB -0.572 68.269 68.868 -0.045 0.000 0.863 306 T HN 0.161 nan 8.240 nan 0.000 0.436 307 V N 2.296 122.180 119.914 -0.051 0.000 2.295 307 V HA -0.198 3.921 4.120 -0.000 0.000 0.246 307 V C 2.875 178.951 176.094 -0.030 0.000 1.049 307 V CA 2.056 64.337 62.300 -0.032 0.000 1.024 307 V CB -1.092 30.716 31.823 -0.025 0.000 0.648 307 V HN 0.706 nan 8.190 nan 0.000 0.447 308 S N 1.327 116.999 115.700 -0.047 0.000 2.402 308 S HA -0.234 4.236 4.470 -0.000 0.000 0.233 308 S C 2.036 176.621 174.600 -0.026 0.000 1.030 308 S CA 1.839 60.017 58.200 -0.036 0.000 1.003 308 S CB -0.793 62.375 63.200 -0.053 0.000 0.813 308 S HN 0.766 nan 8.310 nan 0.000 0.477 309 S N 1.338 117.021 115.700 -0.029 0.000 2.515 309 S HA 0.132 4.602 4.470 -0.000 0.000 0.231 309 S C 1.769 176.361 174.600 -0.014 0.000 0.987 309 S CA -0.093 58.094 58.200 -0.021 0.000 0.936 309 S CB -0.265 62.921 63.200 -0.023 0.000 0.766 309 S HN 0.447 nan 8.310 nan 0.000 0.528 310 R N 0.629 121.122 120.500 -0.012 0.000 2.223 310 R HA 0.443 4.782 4.340 -0.000 0.000 0.198 310 R C 0.674 176.973 176.300 -0.002 0.000 0.984 310 R CA 0.114 56.210 56.100 -0.006 0.000 1.018 310 R CB -0.638 29.659 30.300 -0.004 0.000 0.945 310 R HN 0.440 nan 8.270 nan 0.000 0.479 311 L N 0.636 121.857 121.223 -0.002 0.000 2.400 311 L HA 0.278 4.617 4.340 -0.000 0.000 0.264 311 L C 0.263 177.133 176.870 0.001 0.000 1.061 311 L CA -1.087 53.754 54.840 0.002 0.000 0.799 311 L CB 0.451 42.513 42.059 0.005 0.000 1.240 311 L HN -0.109 nan 8.230 nan 0.000 0.461 312 D N 1.445 121.847 120.400 0.003 0.000 2.488 312 D HA -0.007 4.633 4.640 -0.000 0.000 0.238 312 D C -1.421 174.879 176.300 0.001 0.000 1.138 312 D CA -0.829 53.172 54.000 0.002 0.000 0.873 312 D CB 0.876 41.677 40.800 0.003 0.000 1.183 312 D HN 0.249 nan 8.370 nan 0.000 0.458 313 P HA -0.143 nan 4.420 nan 0.000 0.226 313 P C -0.045 177.257 177.300 0.002 0.000 1.146 313 P CA 1.147 64.247 63.100 -0.001 0.000 0.773 313 P CB 0.134 31.833 31.700 -0.002 0.000 0.772 314 N N -0.734 117.968 118.700 0.003 0.000 2.236 314 N HA 0.188 4.928 4.740 -0.000 0.000 0.196 314 N C 0.514 176.028 175.510 0.007 0.000 1.114 314 N CA -0.443 52.610 53.050 0.004 0.000 0.859 314 N CB 0.198 38.686 38.487 0.002 0.000 0.982 314 N HN 0.090 nan 8.380 nan 0.000 0.493 315 A N 1.225 124.050 122.820 0.008 0.000 2.445 315 A HA 0.233 4.553 4.320 -0.000 0.000 0.242 315 A C 0.524 178.119 177.584 0.019 0.000 1.075 315 A CA -0.077 51.967 52.037 0.012 0.000 0.777 315 A CB 0.121 19.129 19.000 0.013 0.000 1.013 315 A HN 0.213 nan 8.150 nan 0.000 0.493 316 T N 0.230 114.797 114.554 0.022 0.000 2.767 316 T HA 0.640 4.989 4.350 -0.000 0.000 0.288 316 T C -0.293 174.437 174.700 0.050 0.000 0.963 316 T CA -0.243 61.877 62.100 0.033 0.000 1.019 316 T CB 0.388 69.270 68.868 0.022 0.000 0.923 316 T HN 0.368 nan 8.240 nan 0.000 0.468 317 I N 4.012 124.629 120.570 0.078 0.000 2.382 317 I HA 0.351 4.521 4.170 -0.000 0.000 0.286 317 I C -0.499 175.734 176.117 0.195 0.000 1.002 317 I CA -1.128 60.242 61.300 0.117 0.000 1.135 317 I CB 1.430 39.490 38.000 0.100 0.000 1.288 317 I HN 0.444 nan 8.210 nan 0.000 0.448 318 I N 6.985 127.656 120.570 0.168 0.000 2.336 318 I HA 0.386 4.556 4.170 -0.000 0.000 0.292 318 I C -0.528 175.735 176.117 0.244 0.000 0.991 318 I CA -0.442 60.948 61.300 0.150 0.000 1.227 318 I CB 1.149 39.183 38.000 0.057 0.000 1.366 318 I HN 0.649 nan 8.210 nan 0.000 0.466 319 W N 5.237 126.540 121.300 0.005 0.000 3.083 319 W HA 0.837 5.497 4.660 0.000 0.000 0.333 319 W C -0.923 175.593 176.519 -0.006 0.000 1.217 319 W CA -1.477 55.874 57.345 0.010 0.000 1.170 319 W CB 1.420 30.894 29.460 0.022 0.000 1.437 319 W HN 0.620 nan 8.180 nan 0.000 0.557 320 G N -0.033 108.827 108.800 0.100 0.000 2.690 320 G HA2 0.794 4.754 3.960 -0.000 0.000 0.291 320 G HA3 0.794 4.754 3.960 -0.000 0.000 0.291 320 G C -2.188 172.822 174.900 0.182 0.000 1.403 320 G CA -0.528 44.514 45.100 -0.096 0.000 0.864 320 G HN 1.048 nan 8.290 nan 0.000 0.480 321 A N 0.335 123.233 122.820 0.130 0.000 2.414 321 A HA 0.859 5.179 4.320 -0.000 0.000 0.286 321 A C -0.081 177.597 177.584 0.156 0.000 1.073 321 A CA 0.052 52.223 52.037 0.224 0.000 0.727 321 A CB 1.259 20.406 19.000 0.245 0.000 1.215 321 A HN 1.725 nan 8.150 nan 0.000 0.430 322 T N -0.525 114.154 114.554 0.208 0.000 2.926 322 T HA 0.797 5.147 4.350 -0.000 0.000 0.289 322 T C -0.373 174.382 174.700 0.092 0.000 1.054 322 T CA -0.684 61.506 62.100 0.149 0.000 1.015 322 T CB 1.079 70.080 68.868 0.222 0.000 1.167 322 T HN 0.436 nan 8.240 nan 0.000 0.526 323 I N 1.714 122.320 120.570 0.060 0.000 2.336 323 I HA 0.318 4.488 4.170 -0.000 0.000 0.292 323 I C -0.371 175.759 176.117 0.023 0.000 0.991 323 I CA -0.601 60.720 61.300 0.036 0.000 1.227 323 I CB 1.317 39.334 38.000 0.028 0.000 1.366 323 I HN 0.673 nan 8.210 nan 0.000 0.466 324 D N 5.848 126.252 120.400 0.008 0.000 2.412 324 D HA 0.067 4.707 4.640 -0.000 0.000 0.224 324 D C 0.904 177.203 176.300 -0.001 0.000 1.093 324 D CA -0.219 53.779 54.000 -0.003 0.000 0.850 324 D CB 1.400 42.187 40.800 -0.021 0.000 1.046 324 D HN 0.526 nan 8.370 nan 0.000 0.507 325 E N 3.215 123.416 120.200 0.001 0.000 2.113 325 E HA -0.240 4.109 4.350 -0.000 0.000 0.210 325 E C 0.413 177.012 176.600 -0.002 0.000 1.040 325 E CA 1.477 57.877 56.400 0.001 0.000 0.847 325 E CB 0.046 29.746 29.700 0.000 0.000 0.755 325 E HN 0.560 nan 8.360 nan 0.000 0.459 326 N N 0.470 119.167 118.700 -0.004 0.000 3.229 326 N HA 0.054 4.794 4.740 -0.000 0.000 0.275 326 N C -0.034 175.472 175.510 -0.007 0.000 1.225 326 N CA 0.000 53.047 53.050 -0.005 0.000 1.119 326 N CB 1.249 39.733 38.487 -0.006 0.000 1.392 326 N HN 0.126 nan 8.380 nan 0.000 0.520 327 L N 0.519 121.739 121.223 -0.006 0.000 2.902 327 L HA 0.188 4.528 4.340 -0.000 0.000 0.254 327 L C 1.041 177.909 176.870 -0.004 0.000 1.115 327 L CA 0.825 55.661 54.840 -0.007 0.000 0.947 327 L CB -0.196 41.858 42.059 -0.009 0.000 1.369 327 L HN 0.385 nan 8.230 nan 0.000 0.538 328 E N 0.391 120.590 120.200 -0.002 0.000 4.052 328 E HA -0.382 3.968 4.350 -0.000 0.000 0.197 328 E C 0.121 176.722 176.600 0.001 0.000 1.231 328 E CA 1.821 58.221 56.400 -0.000 0.000 2.254 328 E CB -1.161 28.538 29.700 -0.001 0.000 1.844 328 E HN 0.610 nan 8.360 nan 0.000 0.340 329 N N -0.298 118.402 118.700 0.000 0.000 2.261 329 N HA 0.176 4.915 4.740 -0.000 0.000 0.241 329 N C -1.199 174.312 175.510 0.001 0.000 1.374 329 N CA 0.075 53.126 53.050 0.002 0.000 0.802 329 N CB 1.226 39.715 38.487 0.002 0.000 1.339 329 N HN 0.027 nan 8.380 nan 0.000 0.498 330 T N 0.409 114.962 114.554 -0.001 0.000 2.859 330 T HA 0.554 4.904 4.350 -0.000 0.000 0.281 330 T C -0.614 174.084 174.700 -0.004 0.000 1.005 330 T CA -0.486 61.612 62.100 -0.003 0.000 1.025 330 T CB 2.186 71.050 68.868 -0.006 0.000 0.977 330 T HN -0.077 nan 8.240 nan 0.000 0.458 331 V N 3.582 123.494 119.914 -0.003 0.000 2.417 331 V HA 0.531 4.651 4.120 -0.000 0.000 0.291 331 V C 0.181 176.270 176.094 -0.009 0.000 1.024 331 V CA -0.840 61.458 62.300 -0.003 0.000 0.861 331 V CB 1.552 33.379 31.823 0.006 0.000 0.985 331 V HN 0.678 nan 8.190 nan 0.000 0.436 332 R N 3.524 124.011 120.500 -0.021 0.000 2.460 332 R HA 0.784 5.124 4.340 -0.000 0.000 0.303 332 R C -1.767 174.515 176.300 -0.029 0.000 0.968 332 R CA -0.420 55.661 56.100 -0.031 0.000 0.889 332 R CB 1.933 32.202 30.300 -0.052 0.000 1.123 332 R HN 0.511 nan 8.270 nan 0.000 0.455 333 V N 5.900 125.806 119.914 -0.014 0.000 2.483 333 V HA 0.316 4.436 4.120 -0.000 0.000 0.297 333 V C -0.888 175.214 176.094 0.014 0.000 1.027 333 V CA -0.881 61.424 62.300 0.009 0.000 0.855 333 V CB 1.524 33.359 31.823 0.020 0.000 0.995 333 V HN 0.620 nan 8.190 nan 0.000 0.424 334 L N 6.542 127.784 121.223 0.033 0.000 2.282 334 L HA 0.719 5.059 4.340 -0.000 0.000 0.288 334 L C -1.059 175.862 176.870 0.084 0.000 1.033 334 L CA 0.009 54.879 54.840 0.050 0.000 0.807 334 L CB 1.265 43.359 42.059 0.059 0.000 1.209 334 L HN 0.504 nan 8.230 nan 0.000 0.423 335 L N 5.599 126.861 121.223 0.065 0.000 2.346 335 L HA 0.687 5.027 4.340 -0.000 0.000 0.276 335 L C -0.892 176.017 176.870 0.066 0.000 1.006 335 L CA -0.357 54.524 54.840 0.067 0.000 0.817 335 L CB 2.247 44.333 42.059 0.045 0.000 1.272 335 L HN 0.382 nan 8.230 nan 0.000 0.421 336 V N 5.144 125.102 119.914 0.073 0.000 2.462 336 V HA 0.401 4.521 4.120 -0.000 0.000 0.288 336 V C -0.638 175.491 176.094 0.058 0.000 1.020 336 V CA -0.501 61.840 62.300 0.069 0.000 0.857 336 V CB 1.569 33.444 31.823 0.087 0.000 1.013 336 V HN 0.425 nan 8.190 nan 0.000 0.431 337 I N 5.046 125.644 120.570 0.047 0.000 2.315 337 I HA 0.498 4.668 4.170 -0.000 0.000 0.291 337 I C 0.902 177.041 176.117 0.038 0.000 1.006 337 I CA 0.425 61.749 61.300 0.039 0.000 1.265 337 I CB 1.841 39.860 38.000 0.032 0.000 1.387 337 I HN 0.777 nan 8.210 nan 0.000 0.475 338 T N 1.552 116.126 114.554 0.034 0.000 2.952 338 T HA 0.669 5.019 4.350 -0.000 0.000 0.286 338 T C 0.801 175.513 174.700 0.022 0.000 1.024 338 T CA -0.273 61.844 62.100 0.028 0.000 1.029 338 T CB 1.533 70.414 68.868 0.023 0.000 1.094 338 T HN 1.106 nan 8.240 nan 0.000 0.515 339 G N 0.014 108.825 108.800 0.018 0.000 2.221 339 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.265 339 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.265 339 G C 0.470 175.379 174.900 0.014 0.000 1.041 339 G CA 0.385 45.492 45.100 0.010 0.000 0.807 339 G HN 1.932 nan 8.290 nan 0.000 0.502 340 V N -1.708 118.222 119.914 0.027 0.000 3.444 340 V HA 0.235 4.355 4.120 -0.000 0.000 0.308 340 V C 2.154 178.271 176.094 0.039 0.000 1.371 340 V CA 1.197 63.516 62.300 0.032 0.000 1.141 340 V CB 0.485 32.331 31.823 0.040 0.000 1.037 340 V HN 0.622 nan 8.190 nan 0.000 0.433 341 Q N 2.587 122.404 119.800 0.028 0.000 2.181 341 Q HA -0.203 4.137 4.340 -0.000 0.000 0.205 341 Q C 2.035 178.031 176.000 -0.008 0.000 0.980 341 Q CA 2.354 58.164 55.803 0.013 0.000 0.862 341 Q CB -0.981 27.731 28.738 -0.043 0.000 0.905 341 Q HN 0.823 nan 8.270 nan 0.000 0.429 342 S N 0.246 115.941 115.700 -0.008 0.000 2.474 342 S HA 0.014 4.484 4.470 -0.000 0.000 0.235 342 S C 1.473 176.076 174.600 0.005 0.000 0.997 342 S CA 0.620 58.813 58.200 -0.011 0.000 0.949 342 S CB 0.061 63.254 63.200 -0.011 0.000 0.766 342 S HN 0.249 nan 8.310 nan 0.000 0.517 343 R N -0.276 120.236 120.500 0.021 0.000 2.432 343 R HA 0.556 4.896 4.340 -0.000 0.000 0.260 343 R C -0.865 175.464 176.300 0.048 0.000 0.935 343 R CA -0.070 56.047 56.100 0.029 0.000 1.080 343 R CB 0.079 30.394 30.300 0.026 0.000 1.155 343 R HN 0.348 nan 8.270 nan 0.000 0.531 344 I N -0.626 119.985 120.570 0.069 0.000 2.785 344 I HA 0.305 4.475 4.170 -0.000 0.000 0.302 344 I C -0.846 175.360 176.117 0.148 0.000 1.069 344 I CA -1.243 60.130 61.300 0.121 0.000 1.045 344 I CB 2.271 40.383 38.000 0.186 0.000 1.236 344 I HN -0.069 nan 8.210 nan 0.000 0.429 345 E N 4.109 124.422 120.200 0.190 0.000 2.248 345 E HA 0.447 4.796 4.350 -0.000 0.000 0.267 345 E C -1.678 175.143 176.600 0.368 0.000 0.877 345 E CA -0.582 55.940 56.400 0.203 0.000 0.759 345 E CB 1.110 30.875 29.700 0.107 0.000 1.182 345 E HN 0.241 nan 8.360 nan 0.000 0.418 346 F N 2.838 122.790 119.950 0.003 0.000 2.404 346 F HA 0.267 4.794 4.527 -0.001 0.000 0.358 346 F C 0.773 176.577 175.800 0.006 0.000 1.120 346 F CA -0.466 57.536 58.000 0.005 0.000 1.144 346 F CB 1.238 40.240 39.000 0.004 0.000 1.133 346 F HN 0.339 nan 8.300 nan 0.000 0.495 347 T N -1.564 113.061 114.554 0.118 0.000 2.930 347 T HA 0.358 4.708 4.350 -0.000 0.000 0.290 347 T C 0.502 175.223 174.700 0.034 0.000 1.052 347 T CA -0.807 61.336 62.100 0.071 0.000 1.017 347 T CB 1.607 70.504 68.868 0.047 0.000 1.137 347 T HN 0.389 nan 8.240 nan 0.000 0.511 348 D N -0.026 120.394 120.400 0.033 0.000 2.378 348 D HA 0.019 4.659 4.640 -0.000 0.000 0.222 348 D C 1.323 177.628 176.300 0.008 0.000 0.980 348 D CA 0.560 54.572 54.000 0.021 0.000 0.907 348 D CB -0.317 40.498 40.800 0.025 0.000 0.899 348 D HN 0.545 nan 8.370 nan 0.000 0.527 349 T N -1.241 113.317 114.554 0.006 0.000 3.040 349 T HA 0.506 4.856 4.350 -0.000 0.000 0.250 349 T C 0.675 175.368 174.700 -0.012 0.000 1.058 349 T CA 0.323 62.425 62.100 0.003 0.000 0.988 349 T CB 0.587 69.462 68.868 0.011 0.000 0.993 349 T HN 0.514 nan 8.240 nan 0.000 0.519 350 G N 0.691 109.470 108.800 -0.034 0.000 2.346 350 G HA2 0.118 4.078 3.960 -0.000 0.000 0.294 350 G HA3 0.118 4.078 3.960 -0.000 0.000 0.294 350 G C -1.747 173.102 174.900 -0.086 0.000 1.294 350 G CA -1.190 43.869 45.100 -0.070 0.000 0.962 350 G HN 0.215 nan 8.290 nan 0.000 0.508 351 L N 0.451 121.609 121.223 -0.109 0.000 2.349 351 L HA 0.561 4.901 4.340 -0.000 0.000 0.275 351 L C 0.467 177.330 176.870 -0.011 0.000 1.115 351 L CA -0.252 54.537 54.840 -0.085 0.000 0.820 351 L CB 1.130 43.122 42.059 -0.112 0.000 1.135 351 L HN 0.442 nan 8.230 nan 0.000 0.445 352 K N 3.488 123.907 120.400 0.033 0.000 2.397 352 K HA 0.455 4.774 4.320 -0.000 0.000 0.253 352 K C -0.996 175.634 176.600 0.049 0.000 0.932 352 K CA -0.878 55.431 56.287 0.037 0.000 0.795 352 K CB 2.319 34.842 32.500 0.038 0.000 1.159 352 K HN 0.469 nan 8.250 nan 0.000 0.424 353 R N 2.479 123.001 120.500 0.036 0.000 2.401 353 R HA 0.118 4.458 4.340 -0.000 0.000 0.299 353 R C 0.140 176.460 176.300 0.033 0.000 1.064 353 R CA -0.122 56.000 56.100 0.036 0.000 1.000 353 R CB 0.440 30.756 30.300 0.027 0.000 0.973 353 R HN 0.319 nan 8.270 nan 0.000 0.438 354 K N 1.790 122.211 120.400 0.034 0.000 2.156 354 K HA 0.312 4.632 4.320 -0.000 0.000 0.242 354 K C 0.424 177.036 176.600 0.020 0.000 1.033 354 K CA 0.283 56.586 56.287 0.027 0.000 0.878 354 K CB 0.511 33.025 32.500 0.024 0.000 1.057 354 K HN 0.645 nan 8.250 nan 0.000 0.505 355 K N 0.000 120.410 120.400 0.016 0.000 2.780 355 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 355 K CA 0.000 nan 56.287 nan 0.000 0.838 355 K CB 0.000 nan 32.500 nan 0.000 1.064 355 K HN 0.000 nan 8.250 nan 0.000 0.543