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 3hlm_1_B DATA FIRST_RESID 30 DATA SEQUENCE SSWWTHVEMG PPDPILGVTE AFKRDTNSKK MNLGVGAYRD DNGKPYVLPS DATA SEQUENCE VRKAEAQIAA KNLDKEYLPI GGLAEFCKAS AELALGENNE VLKSGRFVTV DATA SEQUENCE QTISGTGALR VGASFLQRFF KFSRDVFLPK PSWGNHTPIF RDAGMQLQGY DATA SEQUENCE RYYDPKTCGF DFSGALEDIS KIPEQSVLLL HACAHNPTGV DPRPEQWKEI DATA SEQUENCE ASVVKKKNLF AFFDMAYQGF ASGDGDKDAW AVRHFIEQGI NVCLCQSYAX DATA SEQUENCE NMGLYGERVG AFTVVCKDAE EAKRVESQLK ILIRPLYSNP PLNGARIAAT DATA SEQUENCE ILTSPDLRKQ WLQEVKGMAD RIISMRTQLV SNLKKEGSSH NWQHITDQIG DATA SEQUENCE MFCFTGLKPE QVERLTKEFS VYMTKDGRIS VAGVTSGNVG YLAHAIHQVT DATA SEQUENCE K 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 30 S HA 0.000 nan 4.470 nan 0.000 0.327 30 S C 0.000 174.417 174.600 -0.305 0.000 1.055 30 S CA 0.000 58.047 58.200 -0.254 0.000 1.107 30 S CB 0.000 63.100 63.200 -0.166 0.000 0.593 31 S N -0.783 114.682 115.700 -0.390 0.000 2.558 31 S HA 0.548 5.017 4.470 -0.001 0.000 0.277 31 S C -0.864 173.449 174.600 -0.479 0.000 1.143 31 S CA -0.624 57.333 58.200 -0.404 0.000 0.865 31 S CB 0.311 63.403 63.200 -0.180 0.000 1.102 31 S HN 0.394 nan 8.310 nan 0.000 0.454 32 W N 1.543 122.558 121.300 -0.475 0.000 2.436 32 W HA 0.161 4.821 4.660 0.000 0.000 0.284 32 W C 0.896 176.886 176.519 -0.882 0.000 1.225 32 W CA 0.145 56.954 57.345 -0.893 0.000 1.271 32 W CB 0.044 28.594 29.460 -1.517 0.000 1.114 32 W HN 0.750 nan 8.180 nan 0.000 0.559 33 W N -0.497 120.916 121.300 0.189 0.000 3.005 33 W HA 0.146 4.805 4.660 -0.001 0.000 0.374 33 W C 2.263 178.808 176.519 0.043 0.000 1.076 33 W CA 0.532 57.952 57.345 0.124 0.000 1.794 33 W CB -0.818 28.710 29.460 0.112 0.000 1.113 33 W HN -0.264 nan 8.180 nan 0.000 0.584 34 T N -1.656 112.938 114.554 0.067 0.000 2.760 34 T HA -0.305 4.045 4.350 -0.001 0.000 0.269 34 T C 1.262 175.923 174.700 -0.064 0.000 1.047 34 T CA 1.604 63.663 62.100 -0.067 0.000 1.139 34 T CB -0.439 68.282 68.868 -0.245 0.000 0.855 34 T HN 0.225 nan 8.240 nan 0.000 0.471 35 H N 0.139 119.280 119.070 0.119 0.000 2.524 35 H HA 0.430 4.986 4.556 -0.001 0.000 0.280 35 H C 0.015 175.418 175.328 0.126 0.000 1.018 35 H CA -0.275 55.834 56.048 0.101 0.000 1.165 35 H CB -0.057 29.749 29.762 0.074 0.000 1.411 35 H HN 0.289 nan 8.280 nan 0.000 0.569 36 V N 2.005 122.072 119.914 0.256 0.000 2.408 36 V HA 0.042 4.162 4.120 -0.001 0.000 0.267 36 V C 0.609 176.779 176.094 0.126 0.000 1.047 36 V CA -0.314 62.106 62.300 0.200 0.000 0.937 36 V CB 1.343 33.300 31.823 0.223 0.000 0.999 36 V HN 0.254 nan 8.190 nan 0.000 0.472 37 E N 3.080 123.338 120.200 0.096 0.000 2.343 37 E HA 0.333 4.682 4.350 -0.001 0.000 0.269 37 E C 0.011 176.635 176.600 0.041 0.000 1.047 37 E CA -0.799 55.642 56.400 0.068 0.000 0.874 37 E CB 1.150 30.886 29.700 0.060 0.000 1.033 37 E HN 0.617 nan 8.360 nan 0.000 0.409 38 M N 2.254 121.874 119.600 0.033 0.000 2.248 38 M HA 0.130 4.610 4.480 -0.001 0.000 0.345 38 M C 0.217 176.524 176.300 0.012 0.000 1.243 38 M CA 0.344 55.655 55.300 0.018 0.000 1.090 38 M CB 0.511 33.122 32.600 0.018 0.000 1.683 38 M HN 0.469 nan 8.290 nan 0.000 0.450 39 G N 5.526 114.327 108.800 0.002 0.000 2.636 39 G HA2 0.439 4.399 3.960 -0.001 0.000 0.246 39 G HA3 0.439 4.399 3.960 -0.001 0.000 0.246 39 G C -2.274 172.625 174.900 -0.001 0.000 1.216 39 G CA -1.072 44.026 45.100 -0.003 0.000 0.854 39 G HN 0.724 nan 8.290 nan 0.000 0.572 40 P HA 0.219 nan 4.420 nan 0.000 0.270 40 P C -2.456 174.842 177.300 -0.002 0.000 1.227 40 P CA -0.744 62.355 63.100 -0.002 0.000 0.788 40 P CB -0.245 31.452 31.700 -0.005 0.000 0.926 41 P HA 0.198 nan 4.420 nan 0.000 0.277 41 P C -0.617 176.684 177.300 0.001 0.000 1.240 41 P CA -0.153 62.949 63.100 0.004 0.000 0.798 41 P CB 0.237 31.944 31.700 0.011 0.000 0.979 42 D N 2.742 123.142 120.400 0.001 0.000 2.344 42 D HA 0.044 4.684 4.640 -0.001 0.000 0.253 42 D C -1.213 175.093 176.300 0.010 0.000 1.255 42 D CA -2.029 51.971 54.000 -0.001 0.000 0.894 42 D CB 0.480 41.279 40.800 -0.002 0.000 1.067 42 D HN 0.130 nan 8.370 nan 0.000 0.492 43 P HA -0.210 nan 4.420 nan 0.000 0.215 43 P C 1.852 179.173 177.300 0.035 0.000 1.163 43 P CA 1.038 64.152 63.100 0.023 0.000 0.894 43 P CB 0.343 32.054 31.700 0.019 0.000 0.791 44 I N -0.890 119.698 120.570 0.030 0.000 2.127 44 I HA -0.233 3.936 4.170 -0.001 0.000 0.241 44 I C 2.785 178.923 176.117 0.036 0.000 1.075 44 I CA 1.357 62.681 61.300 0.039 0.000 1.334 44 I CB -0.910 37.110 38.000 0.034 0.000 1.040 44 I HN -0.097 nan 8.210 nan 0.000 0.405 45 L N 0.750 121.988 121.223 0.025 0.000 1.997 45 L HA -0.236 4.103 4.340 -0.001 0.000 0.216 45 L C 2.745 179.631 176.870 0.028 0.000 1.074 45 L CA 2.028 56.881 54.840 0.021 0.000 0.763 45 L CB -1.360 40.708 42.059 0.015 0.000 0.890 45 L HN 0.366 nan 8.230 nan 0.000 0.434 46 G N -0.613 108.207 108.800 0.033 0.000 2.556 46 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.220 46 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.220 46 G C 1.552 176.486 174.900 0.058 0.000 1.156 46 G CA 1.309 46.434 45.100 0.043 0.000 0.766 46 G HN 0.266 nan 8.290 nan 0.000 0.583 47 V N 0.300 120.258 119.914 0.073 0.000 2.283 47 V HA -0.155 3.964 4.120 -0.001 0.000 0.243 47 V C 3.106 179.221 176.094 0.035 0.000 1.039 47 V CA 2.363 64.731 62.300 0.114 0.000 1.016 47 V CB -0.958 30.953 31.823 0.146 0.000 0.650 47 V HN 0.407 nan 8.190 nan 0.000 0.449 48 T N -0.074 114.488 114.554 0.013 0.000 2.653 48 T HA -0.280 4.070 4.350 -0.001 0.000 0.268 48 T C 1.708 176.420 174.700 0.020 0.000 1.035 48 T CA 2.212 64.302 62.100 -0.017 0.000 1.154 48 T CB -0.265 68.592 68.868 -0.017 0.000 0.862 48 T HN 0.618 nan 8.240 nan 0.000 0.441 49 E N 0.213 120.420 120.200 0.011 0.000 2.371 49 E HA 0.232 4.581 4.350 -0.001 0.000 0.194 49 E C 2.350 178.935 176.600 -0.026 0.000 1.012 49 E CA 0.463 56.868 56.400 0.009 0.000 0.860 49 E CB -0.052 29.656 29.700 0.012 0.000 0.811 49 E HN 0.454 nan 8.360 nan 0.000 0.502 50 A N 1.045 123.838 122.820 -0.045 0.000 1.898 50 A HA -0.161 4.159 4.320 -0.001 0.000 0.216 50 A C 1.931 179.306 177.584 -0.348 0.000 1.181 50 A CA 0.855 52.846 52.037 -0.075 0.000 0.620 50 A CB -0.696 18.357 19.000 0.088 0.000 0.819 50 A HN 0.376 nan 8.150 nan 0.000 0.442 51 F N 0.895 120.324 119.950 -0.870 0.000 2.063 51 F HA -0.252 4.274 4.527 -0.001 0.000 0.298 51 F C 2.213 177.785 175.800 -0.381 0.000 1.109 51 F CA 2.547 59.926 58.000 -1.035 0.000 1.212 51 F CB -0.139 38.430 39.000 -0.718 0.000 0.973 51 F HN 0.164 nan 8.300 nan 0.000 0.480 52 K N 0.344 120.638 120.400 -0.177 0.000 2.097 52 K HA -0.237 4.083 4.320 -0.001 0.000 0.206 52 K C 2.464 178.953 176.600 -0.185 0.000 1.049 52 K CA 1.464 57.655 56.287 -0.161 0.000 0.933 52 K CB -0.320 32.197 32.500 0.028 0.000 0.717 52 K HN 0.315 nan 8.250 nan 0.000 0.442 53 R N 1.105 121.522 120.500 -0.139 0.000 2.115 53 R HA -0.104 4.235 4.340 -0.001 0.000 0.230 53 R C 0.009 176.243 176.300 -0.109 0.000 1.111 53 R CA 0.978 57.022 56.100 -0.094 0.000 0.976 53 R CB -0.223 30.051 30.300 -0.043 0.000 0.870 53 R HN 0.139 nan 8.270 nan 0.000 0.445 54 D N -1.022 119.282 120.400 -0.160 0.000 2.488 54 D HA -0.078 4.562 4.640 -0.001 0.000 0.238 54 D C 0.413 176.635 176.300 -0.131 0.000 1.138 54 D CA 0.804 54.754 54.000 -0.083 0.000 0.873 54 D CB 1.323 42.134 40.800 0.017 0.000 1.183 54 D HN -0.028 nan 8.370 nan 0.000 0.458 55 T N 2.245 116.762 114.554 -0.061 0.000 2.978 55 T HA 0.018 4.368 4.350 -0.001 0.000 0.248 55 T C 0.647 175.315 174.700 -0.052 0.000 1.018 55 T CA -0.340 61.722 62.100 -0.063 0.000 1.026 55 T CB -0.129 68.715 68.868 -0.040 0.000 1.032 55 T HN 0.459 nan 8.240 nan 0.000 0.485 56 N N 2.214 120.896 118.700 -0.029 0.000 2.237 56 N HA -0.085 4.655 4.740 -0.001 0.000 0.245 56 N C 0.655 176.138 175.510 -0.045 0.000 1.239 56 N CA 0.984 54.019 53.050 -0.024 0.000 0.842 56 N CB 0.759 39.252 38.487 0.010 0.000 1.089 56 N HN 0.323 nan 8.380 nan 0.000 0.454 57 S N 1.580 117.249 115.700 -0.051 0.000 2.588 57 S HA 0.269 4.739 4.470 -0.001 0.000 0.245 57 S C 0.329 174.884 174.600 -0.075 0.000 1.021 57 S CA -0.389 57.775 58.200 -0.060 0.000 1.006 57 S CB -0.011 63.157 63.200 -0.054 0.000 0.830 57 S HN 0.616 nan 8.310 nan 0.000 0.468 58 K N 1.644 121.986 120.400 -0.096 0.000 2.358 58 K HA 0.169 4.488 4.320 -0.001 0.000 0.200 58 K C 0.201 176.786 176.600 -0.025 0.000 1.030 58 K CA -0.292 55.863 56.287 -0.220 0.000 1.097 58 K CB 0.438 32.633 32.500 -0.508 0.000 0.862 58 K HN 0.569 nan 8.250 nan 0.000 0.534 59 K N 1.178 121.637 120.400 0.098 0.000 2.485 59 K HA 0.130 4.449 4.320 -0.001 0.000 0.277 59 K C -0.368 176.487 176.600 0.426 0.000 0.990 59 K CA 0.437 56.884 56.287 0.267 0.000 0.994 59 K CB 0.520 33.093 32.500 0.121 0.000 0.906 59 K HN -0.106 nan 8.250 nan 0.000 0.488 60 M N 2.003 121.943 119.600 0.566 0.000 2.457 60 M HA 0.178 4.658 4.480 -0.001 0.000 0.300 60 M C -0.932 175.634 176.300 0.444 0.000 1.141 60 M CA -0.909 54.675 55.300 0.474 0.000 0.901 60 M CB 2.290 35.071 32.600 0.302 0.000 1.687 60 M HN 0.638 nan 8.290 nan 0.000 0.449 61 N N 2.723 121.425 118.700 0.002 0.000 2.707 61 N HA 0.359 5.099 4.740 -0.001 0.000 0.235 61 N C -0.616 174.829 175.510 -0.109 0.000 1.028 61 N CA -0.165 52.677 53.050 -0.347 0.000 0.906 61 N CB 0.399 38.162 38.487 -1.207 0.000 1.131 61 N HN 0.739 nan 8.380 nan 0.000 0.509 62 L N 1.225 122.471 121.223 0.039 0.000 2.653 62 L HA 0.341 4.681 4.340 -0.001 0.000 0.232 62 L C 1.384 178.311 176.870 0.094 0.000 1.169 62 L CA -0.009 54.868 54.840 0.061 0.000 0.951 62 L CB 0.246 42.356 42.059 0.085 0.000 1.181 62 L HN 0.510 nan 8.230 nan 0.000 0.460 63 G N -0.457 108.379 108.800 0.059 0.000 3.651 63 G HA2 0.166 4.126 3.960 -0.001 0.000 0.279 63 G HA3 0.166 4.126 3.960 -0.001 0.000 0.279 63 G C -0.020 174.927 174.900 0.078 0.000 1.024 63 G CA -0.012 45.144 45.100 0.094 0.000 0.813 63 G HN 0.046 nan 8.290 nan 0.000 0.518 64 V N 1.546 121.484 119.914 0.040 0.000 2.432 64 V HA 0.538 4.657 4.120 -0.001 0.000 0.271 64 V C 1.400 177.564 176.094 0.118 0.000 1.046 64 V CA 0.370 62.679 62.300 0.014 0.000 0.945 64 V CB 1.351 33.122 31.823 -0.086 0.000 0.992 64 V HN 0.164 nan 8.190 nan 0.000 0.471 65 G N 4.996 113.880 108.800 0.139 0.000 3.026 65 G HA2 0.461 4.421 3.960 -0.001 0.000 0.208 65 G HA3 0.461 4.421 3.960 -0.001 0.000 0.208 65 G C 0.342 175.346 174.900 0.173 0.000 1.169 65 G CA 0.605 45.872 45.100 0.277 0.000 0.788 65 G HN 1.057 nan 8.290 nan 0.000 0.533 66 A N -0.788 122.032 122.820 0.001 0.000 2.423 66 A HA 0.622 4.942 4.320 -0.001 0.000 0.304 66 A C -0.964 176.655 177.584 0.058 0.000 1.104 66 A CA -0.964 51.002 52.037 -0.118 0.000 0.757 66 A CB 1.057 19.647 19.000 -0.684 0.000 1.313 66 A HN 0.180 nan 8.150 nan 0.000 0.423 67 Y N 1.604 122.009 120.300 0.174 0.000 2.904 67 Y HA 0.219 4.769 4.550 -0.001 0.000 0.336 67 Y C 0.470 176.460 175.900 0.150 0.000 1.263 67 Y CA 1.289 59.556 58.100 0.278 0.000 1.547 67 Y CB 0.333 39.111 38.460 0.531 0.000 1.272 67 Y HN 0.578 nan 8.280 nan 0.000 0.596 68 R N 4.125 124.227 120.500 -0.663 0.000 2.795 68 R HA 0.234 4.573 4.340 -0.001 0.000 0.275 68 R C -0.777 175.030 176.300 -0.821 0.000 0.981 68 R CA -0.854 54.963 56.100 -0.472 0.000 0.917 68 R CB 1.421 31.569 30.300 -0.254 0.000 1.202 68 R HN 0.845 nan 8.270 nan 0.000 0.469 69 D N -0.906 119.255 120.400 -0.397 0.000 2.511 69 D HA 0.040 4.680 4.640 -0.001 0.000 0.276 69 D C 0.398 176.581 176.300 -0.194 0.000 1.220 69 D CA -0.389 53.431 54.000 -0.300 0.000 1.077 69 D CB 0.389 41.101 40.800 -0.146 0.000 1.126 69 D HN 0.426 nan 8.370 nan 0.000 0.583 70 D N -1.800 118.524 120.400 -0.125 0.000 2.263 70 D HA -0.103 4.536 4.640 -0.001 0.000 0.208 70 D C 0.595 176.863 176.300 -0.054 0.000 0.971 70 D CA 1.011 54.962 54.000 -0.082 0.000 0.867 70 D CB -0.135 40.632 40.800 -0.056 0.000 0.929 70 D HN 0.402 nan 8.370 nan 0.000 0.492 71 N N -1.101 117.573 118.700 -0.044 0.000 2.268 71 N HA 0.224 4.964 4.740 -0.001 0.000 0.204 71 N C 0.571 176.072 175.510 -0.016 0.000 1.124 71 N CA 0.331 53.370 53.050 -0.018 0.000 0.838 71 N CB 1.182 39.669 38.487 -0.001 0.000 0.994 71 N HN 0.095 nan 8.380 nan 0.000 0.489 72 G N 0.891 109.662 108.800 -0.047 0.000 2.221 72 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.265 72 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.265 72 G C -0.174 174.704 174.900 -0.036 0.000 1.041 72 G CA 0.160 45.229 45.100 -0.051 0.000 0.807 72 G HN 0.201 nan 8.290 nan 0.000 0.502 73 K N -0.134 120.251 120.400 -0.025 0.000 2.267 73 K HA 0.500 4.819 4.320 -0.001 0.000 0.246 73 K C -2.455 174.178 176.600 0.056 0.000 0.954 73 K CA -2.084 54.216 56.287 0.021 0.000 0.824 73 K CB 2.187 34.716 32.500 0.048 0.000 1.167 73 K HN -0.074 nan 8.250 nan 0.000 0.431 74 P HA -0.065 nan 4.420 nan 0.000 0.270 74 P C -1.129 176.346 177.300 0.292 0.000 1.227 74 P CA 0.228 63.418 63.100 0.151 0.000 0.788 74 P CB 0.218 31.980 31.700 0.103 0.000 0.926 75 Y N 1.107 121.532 120.300 0.208 0.000 2.445 75 Y HA 0.347 4.897 4.550 -0.001 0.000 0.332 75 Y C -1.191 174.838 175.900 0.215 0.000 1.037 75 Y CA -1.027 57.212 58.100 0.233 0.000 1.296 75 Y CB 0.487 39.169 38.460 0.370 0.000 1.099 75 Y HN -0.019 nan 8.280 nan 0.000 0.496 76 V N 6.766 126.635 119.914 -0.076 0.000 2.555 76 V HA 0.108 4.228 4.120 -0.001 0.000 0.286 76 V C 0.124 175.923 176.094 -0.491 0.000 1.044 76 V CA -0.343 61.847 62.300 -0.185 0.000 1.026 76 V CB 0.605 32.388 31.823 -0.067 0.000 0.981 76 V HN 0.541 nan 8.190 nan 0.000 0.480 77 L N 7.989 128.944 121.223 -0.446 0.000 2.397 77 L HA 0.293 4.632 4.340 -0.001 0.000 0.271 77 L C -1.337 175.423 176.870 -0.184 0.000 1.148 77 L CA -1.119 53.448 54.840 -0.455 0.000 0.825 77 L CB 0.551 42.521 42.059 -0.149 0.000 1.117 77 L HN 0.397 nan 8.230 nan 0.000 0.456 78 P HA -0.134 nan 4.420 nan 0.000 0.218 78 P C 1.328 178.633 177.300 0.008 0.000 1.148 78 P CA 1.263 64.358 63.100 -0.009 0.000 0.822 78 P CB 0.210 31.938 31.700 0.046 0.000 0.784 79 S N -1.498 114.225 115.700 0.038 0.000 2.419 79 S HA -0.096 4.374 4.470 -0.001 0.000 0.233 79 S C 1.940 176.537 174.600 -0.006 0.000 1.016 79 S CA 1.028 59.257 58.200 0.048 0.000 0.974 79 S CB -1.598 61.681 63.200 0.132 0.000 0.786 79 S HN -0.030 nan 8.310 nan 0.000 0.492 80 V N 2.336 122.230 119.914 -0.032 0.000 2.323 80 V HA -0.088 4.031 4.120 -0.001 0.000 0.244 80 V C 2.900 178.961 176.094 -0.054 0.000 1.041 80 V CA 1.451 63.710 62.300 -0.067 0.000 1.025 80 V CB -0.605 31.169 31.823 -0.082 0.000 0.656 80 V HN 0.369 nan 8.190 nan 0.000 0.451 81 R N 0.485 120.960 120.500 -0.043 0.000 2.096 81 R HA -0.213 4.127 4.340 -0.001 0.000 0.240 81 R C 2.261 178.548 176.300 -0.022 0.000 1.139 81 R CA 1.782 57.864 56.100 -0.029 0.000 0.952 81 R CB -0.736 29.553 30.300 -0.018 0.000 0.854 81 R HN 0.484 nan 8.270 nan 0.000 0.436 82 K N 0.233 120.625 120.400 -0.015 0.000 2.097 82 K HA -0.073 4.246 4.320 -0.001 0.000 0.206 82 K C 1.972 178.560 176.600 -0.020 0.000 1.049 82 K CA 1.434 57.715 56.287 -0.009 0.000 0.933 82 K CB -0.046 32.457 32.500 0.004 0.000 0.717 82 K HN 0.171 nan 8.250 nan 0.000 0.442 83 A N 0.724 123.523 122.820 -0.035 0.000 1.898 83 A HA -0.119 4.200 4.320 -0.001 0.000 0.214 83 A C 1.886 179.439 177.584 -0.051 0.000 1.183 83 A CA 1.262 53.270 52.037 -0.049 0.000 0.622 83 A CB -0.404 18.548 19.000 -0.079 0.000 0.824 83 A HN 0.403 nan 8.150 nan 0.000 0.444 84 E N -0.213 119.956 120.200 -0.052 0.000 2.130 84 E HA -0.194 4.155 4.350 -0.001 0.000 0.196 84 E C 2.236 178.814 176.600 -0.037 0.000 0.998 84 E CA 1.026 57.396 56.400 -0.049 0.000 0.806 84 E CB -0.207 29.465 29.700 -0.046 0.000 0.738 84 E HN 0.613 nan 8.360 nan 0.000 0.459 85 A N 0.955 123.758 122.820 -0.028 0.000 1.855 85 A HA -0.251 4.068 4.320 -0.001 0.000 0.215 85 A C 2.015 179.586 177.584 -0.021 0.000 1.191 85 A CA 1.502 53.527 52.037 -0.021 0.000 0.613 85 A CB -0.531 18.461 19.000 -0.013 0.000 0.829 85 A HN 0.236 nan 8.150 nan 0.000 0.442 86 Q N -0.462 119.324 119.800 -0.022 0.000 2.135 86 Q HA -0.156 4.183 4.340 -0.001 0.000 0.204 86 Q C 2.015 178.000 176.000 -0.025 0.000 0.981 86 Q CA 1.611 57.402 55.803 -0.021 0.000 0.856 86 Q CB -0.430 28.296 28.738 -0.021 0.000 0.902 86 Q HN 0.744 nan 8.270 nan 0.000 0.425 87 I N 0.720 121.270 120.570 -0.033 0.000 2.252 87 I HA -0.243 3.927 4.170 -0.001 0.000 0.245 87 I C 2.455 178.553 176.117 -0.032 0.000 1.102 87 I CA 0.947 62.224 61.300 -0.037 0.000 1.385 87 I CB -0.381 37.589 38.000 -0.049 0.000 1.064 87 I HN 0.157 nan 8.210 nan 0.000 0.414 88 A N 0.715 123.517 122.820 -0.029 0.000 1.933 88 A HA -0.136 4.183 4.320 -0.001 0.000 0.218 88 A C 2.544 180.115 177.584 -0.021 0.000 1.175 88 A CA 1.699 53.721 52.037 -0.025 0.000 0.628 88 A CB -0.818 18.168 19.000 -0.023 0.000 0.814 88 A HN 0.420 nan 8.150 nan 0.000 0.444 89 A N -0.016 122.793 122.820 -0.018 0.000 1.908 89 A HA -0.203 4.116 4.320 -0.001 0.000 0.218 89 A C 2.043 179.617 177.584 -0.016 0.000 1.181 89 A CA 1.993 54.021 52.037 -0.015 0.000 0.627 89 A CB -0.452 18.540 19.000 -0.013 0.000 0.818 89 A HN 0.524 nan 8.150 nan 0.000 0.445 90 K N -0.718 119.671 120.400 -0.018 0.000 2.360 90 K HA -0.104 4.215 4.320 -0.001 0.000 0.201 90 K C 0.575 177.164 176.600 -0.019 0.000 1.046 90 K CA 0.622 56.898 56.287 -0.018 0.000 0.945 90 K CB -0.244 32.244 32.500 -0.021 0.000 0.750 90 K HN 0.668 nan 8.250 nan 0.000 0.464 91 N N 0.886 119.574 118.700 -0.020 0.000 2.738 91 N HA -0.197 4.543 4.740 -0.001 0.000 0.249 91 N C -1.006 174.491 175.510 -0.023 0.000 1.047 91 N CA -0.163 52.875 53.050 -0.020 0.000 0.707 91 N CB -0.984 37.493 38.487 -0.017 0.000 0.937 91 N HN 0.107 nan 8.380 nan 0.000 0.545 92 L N 0.678 121.885 121.223 -0.026 0.000 2.453 92 L HA 0.212 4.551 4.340 -0.001 0.000 0.261 92 L C 1.136 177.987 176.870 -0.031 0.000 1.179 92 L CA -0.625 54.199 54.840 -0.027 0.000 0.813 92 L CB 0.339 42.380 42.059 -0.030 0.000 1.110 92 L HN 0.294 nan 8.230 nan 0.000 0.466 93 D N 0.212 120.593 120.400 -0.032 0.000 2.393 93 D HA 0.059 4.699 4.640 -0.001 0.000 0.246 93 D C -0.356 175.915 176.300 -0.048 0.000 1.275 93 D CA -0.205 53.772 54.000 -0.039 0.000 0.979 93 D CB 0.549 41.326 40.800 -0.038 0.000 1.101 93 D HN 0.379 nan 8.370 nan 0.000 0.505 94 K N -0.506 119.856 120.400 -0.064 0.000 2.726 94 K HA 0.138 4.458 4.320 -0.001 0.000 0.209 94 K C -0.339 176.194 176.600 -0.112 0.000 1.082 94 K CA -0.506 55.735 56.287 -0.077 0.000 1.081 94 K CB 0.549 33.001 32.500 -0.079 0.000 0.830 94 K HN 0.341 nan 8.250 nan 0.000 0.470 95 E N 0.378 120.522 120.200 -0.094 0.000 2.392 95 E HA 0.036 4.385 4.350 -0.001 0.000 0.256 95 E C -0.152 176.415 176.600 -0.055 0.000 1.145 95 E CA -0.049 56.277 56.400 -0.123 0.000 0.929 95 E CB 0.364 30.030 29.700 -0.056 0.000 0.998 95 E HN 0.044 nan 8.360 nan 0.000 0.442 96 Y N 0.428 120.728 120.300 -0.001 0.000 2.610 96 Y HA -0.041 4.509 4.550 -0.000 0.000 0.332 96 Y C 1.083 176.987 175.900 0.006 0.000 1.201 96 Y CA 0.301 58.405 58.100 0.006 0.000 1.465 96 Y CB 0.001 38.468 38.460 0.011 0.000 1.283 96 Y HN 0.233 nan 8.280 nan 0.000 0.563 97 L N 5.607 126.947 121.223 0.196 0.000 2.472 97 L HA 0.204 4.544 4.340 -0.001 0.000 0.260 97 L C -1.815 175.113 176.870 0.096 0.000 1.209 97 L CA -1.809 53.099 54.840 0.113 0.000 0.817 97 L CB 0.251 42.360 42.059 0.083 0.000 1.106 97 L HN 0.455 nan 8.230 nan 0.000 0.479 98 P HA 0.118 nan 4.420 nan 0.000 0.273 98 P C 0.889 178.212 177.300 0.039 0.000 1.250 98 P CA -0.257 62.866 63.100 0.039 0.000 0.793 98 P CB 0.609 32.329 31.700 0.033 0.000 1.011 99 I N 0.305 120.881 120.570 0.010 0.000 2.151 99 I HA -0.270 3.900 4.170 -0.001 0.000 0.243 99 I C 2.352 178.503 176.117 0.056 0.000 1.080 99 I CA 2.247 63.551 61.300 0.006 0.000 1.339 99 I CB -1.106 36.875 38.000 -0.032 0.000 1.039 99 I HN 0.513 nan 8.210 nan 0.000 0.409 100 G N -0.197 108.635 108.800 0.054 0.000 2.509 100 G HA2 0.249 4.209 3.960 -0.001 0.000 0.218 100 G HA3 0.249 4.209 3.960 -0.001 0.000 0.218 100 G C 0.907 175.878 174.900 0.119 0.000 1.124 100 G CA 0.697 45.846 45.100 0.083 0.000 0.776 100 G HN 0.736 nan 8.290 nan 0.000 0.547 101 G N -0.966 107.900 108.800 0.109 0.000 2.512 101 G HA2 0.003 3.963 3.960 -0.001 0.000 0.210 101 G HA3 0.003 3.963 3.960 -0.001 0.000 0.210 101 G C -0.577 174.386 174.900 0.106 0.000 1.295 101 G CA -0.260 44.910 45.100 0.116 0.000 0.934 101 G HN 0.887 nan 8.290 nan 0.000 0.554 102 L N 1.383 122.679 121.223 0.121 0.000 2.278 102 L HA 0.697 5.036 4.340 -0.001 0.000 0.287 102 L C 1.875 178.830 176.870 0.143 0.000 1.072 102 L CA 1.111 56.015 54.840 0.107 0.000 0.819 102 L CB 0.939 43.037 42.059 0.065 0.000 1.176 102 L HN 1.644 nan 8.230 nan 0.000 0.435 103 A N 3.936 126.806 122.820 0.083 0.000 1.908 103 A HA -0.198 4.122 4.320 -0.001 0.000 0.218 103 A C 1.801 179.418 177.584 0.054 0.000 1.181 103 A CA 1.968 54.040 52.037 0.059 0.000 0.627 103 A CB -0.588 18.431 19.000 0.031 0.000 0.818 103 A HN 0.916 nan 8.150 nan 0.000 0.445 104 E N -1.401 118.834 120.200 0.057 0.000 2.208 104 E HA -0.112 4.237 4.350 -0.001 0.000 0.193 104 E C 1.719 178.346 176.600 0.046 0.000 0.988 104 E CA 1.105 57.528 56.400 0.038 0.000 0.828 104 E CB -0.410 29.306 29.700 0.027 0.000 0.763 104 E HN 0.699 nan 8.360 nan 0.000 0.478 105 F N 1.697 121.615 119.950 -0.055 0.000 2.163 105 F HA -0.064 4.462 4.527 -0.001 0.000 0.297 105 F C 1.948 177.719 175.800 -0.048 0.000 1.094 105 F CA 0.726 58.672 58.000 -0.092 0.000 1.290 105 F CB -0.400 38.523 39.000 -0.127 0.000 1.017 105 F HN 0.008 nan 8.300 nan 0.000 0.483 106 C N 1.435 120.608 119.300 -0.212 0.000 2.413 106 C HA -0.180 4.280 4.460 -0.001 0.000 0.277 106 C C 2.831 177.716 174.990 -0.175 0.000 1.228 106 C CA 1.598 60.469 59.018 -0.245 0.000 1.731 106 C CB -1.169 26.574 27.740 0.005 0.000 2.042 106 C HN 0.553 nan 8.230 nan 0.000 0.468 107 K N 0.963 121.325 120.400 -0.064 0.000 2.026 107 K HA -0.137 4.182 4.320 -0.001 0.000 0.208 107 K C 2.134 178.684 176.600 -0.084 0.000 1.048 107 K CA 1.649 57.937 56.287 0.001 0.000 0.929 107 K CB -0.320 32.197 32.500 0.027 0.000 0.713 107 K HN 0.413 nan 8.250 nan 0.000 0.439 108 A N 0.443 123.185 122.820 -0.130 0.000 1.933 108 A HA -0.151 4.168 4.320 -0.001 0.000 0.218 108 A C 2.191 179.665 177.584 -0.183 0.000 1.175 108 A CA 2.029 53.986 52.037 -0.134 0.000 0.628 108 A CB -0.811 18.125 19.000 -0.107 0.000 0.814 108 A HN 0.422 nan 8.150 nan 0.000 0.444 109 S N -0.477 115.006 115.700 -0.362 0.000 2.359 109 S HA -0.107 4.362 4.470 -0.001 0.000 0.224 109 S C 2.230 176.714 174.600 -0.194 0.000 1.035 109 S CA 1.688 59.702 58.200 -0.309 0.000 1.018 109 S CB -0.490 62.324 63.200 -0.643 0.000 0.876 109 S HN 0.825 nan 8.310 nan 0.000 0.448 110 A N 0.842 123.526 122.820 -0.227 0.000 1.883 110 A HA -0.135 4.184 4.320 -0.001 0.000 0.217 110 A C 1.947 179.361 177.584 -0.285 0.000 1.186 110 A CA 1.880 53.733 52.037 -0.308 0.000 0.624 110 A CB -0.812 17.887 19.000 -0.502 0.000 0.822 110 A HN 0.677 nan 8.150 nan 0.000 0.444 111 E N -0.802 119.272 120.200 -0.211 0.000 2.110 111 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 111 E C 1.906 178.444 176.600 -0.104 0.000 0.988 111 E CA 1.130 57.438 56.400 -0.154 0.000 0.804 111 E CB -0.257 29.385 29.700 -0.096 0.000 0.745 111 E HN 0.497 nan 8.360 nan 0.000 0.458 112 L N 0.978 122.164 121.223 -0.061 0.000 1.971 112 L HA -0.233 4.107 4.340 -0.001 0.000 0.215 112 L C 2.194 179.023 176.870 -0.069 0.000 1.072 112 L CA 2.344 57.184 54.840 -0.000 0.000 0.758 112 L CB -0.817 41.295 42.059 0.088 0.000 0.889 112 L HN 0.090 nan 8.230 nan 0.000 0.433 113 A N -0.907 121.837 122.820 -0.127 0.000 1.877 113 A HA -0.133 4.187 4.320 -0.001 0.000 0.216 113 A C 2.153 179.612 177.584 -0.208 0.000 1.186 113 A CA 2.104 54.033 52.037 -0.179 0.000 0.620 113 A CB -0.773 18.096 19.000 -0.218 0.000 0.822 113 A HN 0.519 nan 8.150 nan 0.000 0.443 114 L N -1.545 119.542 121.223 -0.227 0.000 2.554 114 L HA 0.326 4.666 4.340 -0.001 0.000 0.225 114 L C 1.079 177.841 176.870 -0.180 0.000 1.104 114 L CA 0.284 54.982 54.840 -0.236 0.000 0.866 114 L CB -0.700 41.185 42.059 -0.291 0.000 1.047 114 L HN 0.596 nan 8.230 nan 0.000 0.468 115 G N 2.160 110.874 108.800 -0.144 0.000 2.862 115 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.686 115 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.686 115 G C -0.224 174.613 174.900 -0.106 0.000 1.134 115 G CA -0.249 44.791 45.100 -0.100 0.000 0.791 115 G HN 0.468 nan 8.290 nan 0.000 0.592 116 E N 0.924 121.078 120.200 -0.077 0.000 2.392 116 E HA 0.509 4.859 4.350 -0.001 0.000 0.259 116 E C 1.016 177.579 176.600 -0.062 0.000 1.108 116 E CA 0.173 56.529 56.400 -0.073 0.000 0.916 116 E CB 0.385 30.057 29.700 -0.047 0.000 0.989 116 E HN 0.964 nan 8.360 nan 0.000 0.432 117 N N -0.221 118.444 118.700 -0.057 0.000 2.984 117 N HA -0.211 4.529 4.740 -0.001 0.000 0.227 117 N C -0.698 174.776 175.510 -0.059 0.000 0.903 117 N CA 0.555 53.577 53.050 -0.046 0.000 0.995 117 N CB -0.949 37.517 38.487 -0.035 0.000 1.065 117 N HN 0.676 nan 8.380 nan 0.000 0.585 118 N N 1.979 120.627 118.700 -0.087 0.000 2.412 118 N HA -0.088 4.651 4.740 -0.001 0.000 0.254 118 N C 1.085 176.546 175.510 -0.081 0.000 1.232 118 N CA 0.659 53.647 53.050 -0.102 0.000 0.880 118 N CB 0.881 39.276 38.487 -0.153 0.000 1.076 118 N HN 0.211 nan 8.380 nan 0.000 0.458 119 E N 3.637 123.796 120.200 -0.069 0.000 2.171 119 E HA -0.145 4.204 4.350 -0.001 0.000 0.197 119 E C 1.229 177.807 176.600 -0.036 0.000 0.997 119 E CA 1.202 57.575 56.400 -0.046 0.000 0.810 119 E CB 0.007 29.680 29.700 -0.045 0.000 0.738 119 E HN 0.512 nan 8.360 nan 0.000 0.467 120 V N 1.466 121.341 119.914 -0.064 0.000 2.295 120 V HA -0.260 3.859 4.120 -0.001 0.000 0.246 120 V C 2.672 178.779 176.094 0.022 0.000 1.049 120 V CA 1.671 63.948 62.300 -0.037 0.000 1.024 120 V CB -0.475 31.283 31.823 -0.109 0.000 0.648 120 V HN 0.288 nan 8.190 nan 0.000 0.447 121 L N -0.893 120.284 121.223 -0.076 0.000 2.179 121 L HA -0.079 4.260 4.340 -0.001 0.000 0.208 121 L C 2.517 179.443 176.870 0.092 0.000 1.096 121 L CA 1.277 56.106 54.840 -0.018 0.000 0.779 121 L CB -0.576 41.393 42.059 -0.151 0.000 0.922 121 L HN 0.286 nan 8.230 nan 0.000 0.443 122 K N 0.184 120.601 120.400 0.028 0.000 2.155 122 K HA -0.088 4.232 4.320 -0.001 0.000 0.203 122 K C 2.190 178.814 176.600 0.041 0.000 1.052 122 K CA 1.622 57.925 56.287 0.027 0.000 0.948 122 K CB 0.011 32.512 32.500 0.002 0.000 0.728 122 K HN 0.321 nan 8.250 nan 0.000 0.448 123 S N -0.885 114.844 115.700 0.048 0.000 2.524 123 S HA 0.108 4.578 4.470 -0.001 0.000 0.216 123 S C 1.336 175.968 174.600 0.054 0.000 0.987 123 S CA 0.369 58.593 58.200 0.040 0.000 0.909 123 S CB 0.485 63.702 63.200 0.027 0.000 0.781 123 S HN 0.395 nan 8.310 nan 0.000 0.521 124 G N 2.911 111.782 108.800 0.117 0.000 2.143 124 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.248 124 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.248 124 G C 0.246 175.160 174.900 0.023 0.000 0.991 124 G CA 0.079 45.227 45.100 0.079 0.000 0.689 124 G HN 0.845 nan 8.290 nan 0.000 0.522 125 R N -0.555 120.024 120.500 0.132 0.000 4.496 125 R HA 0.559 4.899 4.340 -0.001 0.000 0.211 125 R C 0.110 176.512 176.300 0.170 0.000 1.738 125 R CA 0.032 56.181 56.100 0.082 0.000 1.528 125 R CB -0.662 29.678 30.300 0.066 0.000 1.414 125 R HN 0.966 nan 8.270 nan 0.000 0.812 126 F N -2.426 117.488 119.950 -0.061 0.000 2.719 126 F HA 0.557 5.084 4.527 -0.000 0.000 0.309 126 F C -2.035 173.711 175.800 -0.090 0.000 1.138 126 F CA -1.557 56.392 58.000 -0.086 0.000 0.943 126 F CB 1.264 40.202 39.000 -0.104 0.000 1.304 126 F HN -0.158 nan 8.300 nan 0.000 0.445 127 V N 1.552 121.380 119.914 -0.144 0.000 2.588 127 V HA 0.785 4.904 4.120 -0.001 0.000 0.304 127 V C -1.223 174.877 176.094 0.009 0.000 1.042 127 V CA -0.026 62.150 62.300 -0.207 0.000 0.877 127 V CB 2.042 33.759 31.823 -0.177 0.000 0.996 127 V HN 1.052 nan 8.190 nan 0.000 0.425 128 T N 6.349 120.942 114.554 0.065 0.000 2.812 128 T HA 0.634 4.983 4.350 -0.001 0.000 0.282 128 T C -0.610 174.135 174.700 0.076 0.000 0.990 128 T CA -0.319 61.834 62.100 0.090 0.000 0.960 128 T CB 1.371 70.328 68.868 0.148 0.000 0.948 128 T HN 1.033 nan 8.240 nan 0.000 0.438 129 V N 2.000 121.990 119.914 0.127 0.000 2.769 129 V HA 0.651 4.771 4.120 -0.001 0.000 0.312 129 V C -0.193 176.043 176.094 0.237 0.000 1.061 129 V CA -1.223 61.177 62.300 0.167 0.000 0.931 129 V CB 1.774 33.702 31.823 0.175 0.000 1.010 129 V HN 0.884 nan 8.190 nan 0.000 0.433 130 Q N 2.334 122.296 119.800 0.270 0.000 2.327 130 Q HA 0.603 4.943 4.340 -0.001 0.000 0.254 130 Q C -0.036 176.115 176.000 0.252 0.000 0.952 130 Q CA 0.211 56.224 55.803 0.351 0.000 0.884 130 Q CB 1.221 30.145 28.738 0.311 0.000 1.224 130 Q HN 1.155 nan 8.270 nan 0.000 0.422 131 T N -0.057 114.623 114.554 0.210 0.000 2.804 131 T HA 0.464 4.813 4.350 -0.001 0.000 0.290 131 T C 0.099 174.794 174.700 -0.009 0.000 1.099 131 T CA -0.946 61.234 62.100 0.133 0.000 1.011 131 T CB 0.593 69.568 68.868 0.178 0.000 1.291 131 T HN 0.519 nan 8.240 nan 0.000 0.523 132 I N 2.301 122.799 120.570 -0.121 0.000 2.270 132 I HA 0.255 4.425 4.170 -0.001 0.000 0.300 132 I C 1.210 177.296 176.117 -0.051 0.000 1.186 132 I CA 0.374 61.572 61.300 -0.169 0.000 1.431 132 I CB -1.508 36.328 38.000 -0.272 0.000 1.485 132 I HN 0.972 nan 8.210 nan 0.000 0.650 133 S N 4.102 119.792 115.700 -0.016 0.000 3.118 133 S HA -0.222 4.248 4.470 -0.001 0.000 0.631 133 S C 1.503 176.137 174.600 0.055 0.000 2.944 133 S CA 1.236 59.451 58.200 0.025 0.000 3.398 133 S CB -0.936 62.264 63.200 -0.001 0.000 0.312 133 S HN 0.811 nan 8.310 nan 0.000 1.625 134 G N -0.629 108.184 108.800 0.022 0.000 2.426 134 G HA2 0.051 4.010 3.960 -0.001 0.000 0.214 134 G HA3 0.051 4.010 3.960 -0.001 0.000 0.214 134 G C 1.354 176.311 174.900 0.095 0.000 1.156 134 G CA 1.370 46.484 45.100 0.024 0.000 0.802 134 G HN 0.775 nan 8.290 nan 0.000 0.534 135 T N 1.217 115.847 114.554 0.125 0.000 2.665 135 T HA -0.114 4.235 4.350 -0.001 0.000 0.268 135 T C 2.461 177.233 174.700 0.121 0.000 1.035 135 T CA 1.631 63.858 62.100 0.212 0.000 1.151 135 T CB -0.555 68.446 68.868 0.222 0.000 0.862 135 T HN 0.337 nan 8.240 nan 0.000 0.438 136 G N 0.833 109.678 108.800 0.075 0.000 2.408 136 G HA2 0.038 3.997 3.960 -0.001 0.000 0.217 136 G HA3 0.038 3.997 3.960 -0.001 0.000 0.217 136 G C 1.843 176.787 174.900 0.072 0.000 1.150 136 G CA 0.820 45.952 45.100 0.054 0.000 0.776 136 G HN 0.587 nan 8.290 nan 0.000 0.542 137 A N 0.652 123.536 122.820 0.106 0.000 1.908 137 A HA 0.050 4.369 4.320 -0.001 0.000 0.218 137 A C 2.421 180.042 177.584 0.061 0.000 1.181 137 A CA 1.326 53.442 52.037 0.132 0.000 0.627 137 A CB -0.421 18.733 19.000 0.257 0.000 0.818 137 A HN 0.355 nan 8.150 nan 0.000 0.445 138 L N -1.330 119.984 121.223 0.151 0.000 2.056 138 L HA -0.150 4.189 4.340 -0.001 0.000 0.207 138 L C 2.753 179.568 176.870 -0.092 0.000 1.078 138 L CA 1.645 56.592 54.840 0.177 0.000 0.749 138 L CB -0.334 41.866 42.059 0.235 0.000 0.901 138 L HN 0.382 nan 8.230 nan 0.000 0.433 139 R N -0.080 120.363 120.500 -0.097 0.000 2.073 139 R HA -0.086 4.254 4.340 -0.001 0.000 0.229 139 R C 2.025 178.243 176.300 -0.136 0.000 1.120 139 R CA 1.457 57.464 56.100 -0.156 0.000 0.967 139 R CB -0.811 29.445 30.300 -0.073 0.000 0.862 139 R HN 0.079 nan 8.270 nan 0.000 0.436 140 V N 0.174 120.013 119.914 -0.125 0.000 2.295 140 V HA -0.143 3.977 4.120 -0.001 0.000 0.246 140 V C 2.237 178.147 176.094 -0.307 0.000 1.049 140 V CA 2.200 64.403 62.300 -0.162 0.000 1.024 140 V CB -1.063 30.677 31.823 -0.139 0.000 0.648 140 V HN 0.645 nan 8.190 nan 0.000 0.447 141 G N -0.777 107.638 108.800 -0.642 0.000 2.408 141 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.217 141 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.217 141 G C 1.754 176.749 174.900 0.158 0.000 1.150 141 G CA 0.930 45.733 45.100 -0.496 0.000 0.776 141 G HN 0.607 nan 8.290 nan 0.000 0.542 142 A N 1.382 124.183 122.820 -0.031 0.000 1.933 142 A HA -0.049 4.270 4.320 -0.001 0.000 0.218 142 A C 2.730 180.340 177.584 0.043 0.000 1.175 142 A CA 2.565 54.563 52.037 -0.065 0.000 0.628 142 A CB -0.654 18.014 19.000 -0.553 0.000 0.814 142 A HN 0.706 nan 8.150 nan 0.000 0.444 143 S N -1.644 114.070 115.700 0.024 0.000 2.414 143 S HA -0.073 4.396 4.470 -0.001 0.000 0.227 143 S C 1.768 176.459 174.600 0.152 0.000 1.022 143 S CA 1.074 59.304 58.200 0.051 0.000 0.958 143 S CB -0.628 62.588 63.200 0.027 0.000 0.797 143 S HN 0.448 nan 8.310 nan 0.000 0.493 144 F N 2.520 122.530 119.950 0.100 0.000 2.146 144 F HA 0.153 4.679 4.527 -0.001 0.000 0.298 144 F C 1.912 177.889 175.800 0.295 0.000 1.096 144 F CA 0.932 59.089 58.000 0.261 0.000 1.275 144 F CB -0.436 38.738 39.000 0.290 0.000 1.008 144 F HN 0.130 nan 8.300 nan 0.000 0.480 145 L N -0.133 121.264 121.223 0.289 0.000 2.017 145 L HA -0.246 4.094 4.340 -0.001 0.000 0.208 145 L C 2.633 179.563 176.870 0.100 0.000 1.073 145 L CA 1.626 56.582 54.840 0.193 0.000 0.745 145 L CB -0.951 41.204 42.059 0.160 0.000 0.894 145 L HN 0.196 nan 8.230 nan 0.000 0.432 146 Q N 0.632 120.464 119.800 0.053 0.000 2.234 146 Q HA -0.243 4.096 4.340 -0.001 0.000 0.206 146 Q C 2.154 178.081 176.000 -0.123 0.000 0.980 146 Q CA 1.694 57.493 55.803 -0.005 0.000 0.869 146 Q CB 0.071 28.800 28.738 -0.014 0.000 0.912 146 Q HN 0.475 nan 8.270 nan 0.000 0.436 147 R N -1.872 118.474 120.500 -0.257 0.000 2.195 147 R HA 0.060 4.399 4.340 -0.001 0.000 0.197 147 R C 0.918 176.717 176.300 -0.836 0.000 0.990 147 R CA 0.405 56.158 56.100 -0.579 0.000 1.048 147 R CB 0.305 30.144 30.300 -0.767 0.000 0.997 147 R HN 0.129 nan 8.270 nan 0.000 0.502 148 F N -1.195 118.568 119.950 -0.312 0.000 2.728 148 F HA 0.282 4.808 4.527 -0.002 0.000 0.314 148 F C -0.007 175.686 175.800 -0.178 0.000 1.094 148 F CA -0.659 57.143 58.000 -0.330 0.000 1.217 148 F CB 0.485 39.121 39.000 -0.605 0.000 1.056 148 F HN -0.144 nan 8.300 nan 0.000 0.577 149 F N 3.757 123.657 119.950 -0.084 0.000 2.619 149 F HA 0.184 4.710 4.527 -0.001 0.000 0.350 149 F C 1.594 177.325 175.800 -0.114 0.000 1.259 149 F CA -0.787 57.215 58.000 0.002 0.000 1.204 149 F CB -0.094 38.939 39.000 0.054 0.000 1.556 149 F HN -0.007 nan 8.300 nan 0.000 0.650 150 K N 1.454 121.479 120.400 -0.625 0.000 2.366 150 K HA -0.103 4.217 4.320 -0.001 0.000 0.198 150 K C 1.156 177.375 176.600 -0.636 0.000 1.044 150 K CA 1.140 57.068 56.287 -0.597 0.000 0.973 150 K CB -0.391 31.744 32.500 -0.609 0.000 0.767 150 K HN 0.419 nan 8.250 nan 0.000 0.475 151 F N 1.314 121.010 119.950 -0.424 0.000 2.293 151 F HA 0.045 4.572 4.527 -0.000 0.000 0.300 151 F C 1.090 176.873 175.800 -0.029 0.000 1.086 151 F CA 0.079 57.906 58.000 -0.289 0.000 1.375 151 F CB -0.030 38.681 39.000 -0.482 0.000 1.045 151 F HN 0.011 nan 8.300 nan 0.000 0.516 152 S N -1.140 114.737 115.700 0.294 0.000 2.543 152 S HA 0.393 4.862 4.470 -0.001 0.000 0.274 152 S C 0.260 175.058 174.600 0.330 0.000 1.149 152 S CA -0.877 57.544 58.200 0.369 0.000 0.866 152 S CB 1.149 64.653 63.200 0.506 0.000 1.111 152 S HN -0.034 nan 8.310 nan 0.000 0.457 153 R N 1.268 121.881 120.500 0.188 0.000 2.300 153 R HA 0.236 4.576 4.340 -0.001 0.000 0.199 153 R C -0.602 175.744 176.300 0.076 0.000 0.920 153 R CA 0.155 56.328 56.100 0.121 0.000 1.046 153 R CB -0.345 29.993 30.300 0.064 0.000 0.984 153 R HN 0.562 nan 8.270 nan 0.000 0.493 154 D N 0.854 121.318 120.400 0.106 0.000 2.264 154 D HA 0.175 4.814 4.640 -0.001 0.000 0.250 154 D C -0.549 175.734 176.300 -0.028 0.000 1.113 154 D CA -0.106 53.895 54.000 0.001 0.000 0.871 154 D CB 2.386 43.241 40.800 0.092 0.000 1.167 154 D HN -0.292 nan 8.370 nan 0.000 0.447 155 V N 3.902 123.675 119.914 -0.235 0.000 2.407 155 V HA 0.276 4.396 4.120 -0.001 0.000 0.291 155 V C -0.501 175.393 176.094 -0.334 0.000 1.018 155 V CA -0.753 61.363 62.300 -0.306 0.000 0.842 155 V CB 0.969 32.389 31.823 -0.672 0.000 0.996 155 V HN 0.326 nan 8.190 nan 0.000 0.426 156 F N 5.713 125.599 119.950 -0.107 0.000 2.371 156 F HA 0.537 5.063 4.527 -0.001 0.000 0.363 156 F C 0.272 176.173 175.800 0.169 0.000 1.122 156 F CA -0.303 57.740 58.000 0.071 0.000 1.129 156 F CB 0.896 39.973 39.000 0.129 0.000 1.173 156 F HN 0.209 nan 8.300 nan 0.000 0.489 157 L N 6.044 127.386 121.223 0.199 0.000 2.334 157 L HA 0.509 4.849 4.340 -0.001 0.000 0.275 157 L C -2.117 174.684 176.870 -0.115 0.000 1.036 157 L CA -2.311 52.601 54.840 0.121 0.000 0.807 157 L CB 1.359 43.434 42.059 0.026 0.000 1.231 157 L HN 0.313 nan 8.230 nan 0.000 0.438 158 P HA 0.021 nan 4.420 nan 0.000 0.269 158 P C -1.211 175.896 177.300 -0.320 0.000 1.215 158 P CA -0.204 62.362 63.100 -0.889 0.000 0.780 158 P CB 0.659 31.899 31.700 -0.766 0.000 0.898 159 K N 3.234 123.519 120.400 -0.191 0.000 2.299 159 K HA 0.359 4.679 4.320 -0.001 0.000 0.268 159 K C -2.066 174.593 176.600 0.098 0.000 1.075 159 K CA -1.538 54.753 56.287 0.007 0.000 0.936 159 K CB 0.884 33.418 32.500 0.056 0.000 1.228 159 K HN 0.426 nan 8.250 nan 0.000 0.454 160 P HA 0.293 nan 4.420 nan 0.000 0.289 160 P C -0.680 176.663 177.300 0.071 0.000 1.300 160 P CA -0.698 62.433 63.100 0.051 0.000 0.828 160 P CB 1.626 33.355 31.700 0.049 0.000 1.235 161 S N -1.548 114.216 115.700 0.108 0.000 2.709 161 S HA 0.510 4.979 4.470 -0.001 0.000 0.302 161 S C -1.398 173.334 174.600 0.220 0.000 1.127 161 S CA -0.646 57.696 58.200 0.237 0.000 0.905 161 S CB 0.094 63.565 63.200 0.451 0.000 1.151 161 S HN 0.426 nan 8.310 nan 0.000 0.510 162 W N 2.350 123.670 121.300 0.034 0.000 2.409 162 W HA 0.230 4.889 4.660 -0.001 0.000 0.338 162 W C 1.371 177.808 176.519 -0.137 0.000 1.273 162 W CA 0.391 57.623 57.345 -0.189 0.000 1.299 162 W CB -0.252 28.894 29.460 -0.522 0.000 1.192 162 W HN 0.813 nan 8.180 nan 0.000 0.565 163 G N 3.689 112.294 108.800 -0.325 0.000 2.442 163 G HA2 -0.395 3.565 3.960 -0.001 0.000 0.219 163 G HA3 -0.395 3.565 3.960 -0.001 0.000 0.219 163 G C 1.382 176.000 174.900 -0.469 0.000 1.141 163 G CA 1.169 46.067 45.100 -0.337 0.000 0.763 163 G HN 0.566 nan 8.290 nan 0.000 0.554 164 N N 0.002 118.096 118.700 -1.010 0.000 2.459 164 N HA -0.014 4.725 4.740 -0.001 0.000 0.181 164 N C 1.730 176.987 175.510 -0.421 0.000 1.046 164 N CA 0.538 53.053 53.050 -0.892 0.000 0.904 164 N CB -0.386 37.132 38.487 -1.615 0.000 0.964 164 N HN 0.627 nan 8.380 nan 0.000 0.444 165 H N -1.231 117.734 119.070 -0.176 0.000 2.319 165 H HA -0.107 4.449 4.556 -0.001 0.000 0.299 165 H C 1.577 177.019 175.328 0.190 0.000 1.092 165 H CA 1.800 57.952 56.048 0.172 0.000 1.302 165 H CB 0.043 29.981 29.762 0.293 0.000 1.373 165 H HN 0.187 nan 8.280 nan 0.000 0.497 166 T N 1.414 116.078 114.554 0.183 0.000 2.555 166 T HA -0.144 4.205 4.350 -0.001 0.000 0.264 166 T C -0.662 174.085 174.700 0.078 0.000 1.083 166 T CA 2.021 64.188 62.100 0.112 0.000 1.179 166 T CB -1.125 67.761 68.868 0.031 0.000 0.863 166 T HN 0.419 nan 8.240 nan 0.000 0.412 167 P HA 0.017 nan 4.420 nan 0.000 0.221 167 P C 1.476 178.750 177.300 -0.044 0.000 1.145 167 P CA 0.993 64.073 63.100 -0.033 0.000 0.795 167 P CB -0.325 31.328 31.700 -0.079 0.000 0.775 168 I N -1.876 118.655 120.570 -0.064 0.000 2.179 168 I HA -0.228 3.942 4.170 -0.001 0.000 0.242 168 I C 2.227 178.199 176.117 -0.241 0.000 1.088 168 I CA 1.532 62.727 61.300 -0.174 0.000 1.357 168 I CB -0.563 37.296 38.000 -0.234 0.000 1.051 168 I HN -0.179 nan 8.210 nan 0.000 0.409 169 F N 0.286 120.210 119.950 -0.043 0.000 2.293 169 F HA -0.053 4.474 4.527 -0.001 0.000 0.297 169 F C 2.620 178.386 175.800 -0.057 0.000 1.089 169 F CA 0.871 58.829 58.000 -0.069 0.000 1.377 169 F CB -0.362 38.577 39.000 -0.102 0.000 1.051 169 F HN -0.141 nan 8.300 nan 0.000 0.511 170 R N 0.803 121.370 120.500 0.111 0.000 2.062 170 R HA -0.122 4.217 4.340 -0.001 0.000 0.231 170 R C 1.760 178.067 176.300 0.012 0.000 1.136 170 R CA 1.934 58.062 56.100 0.048 0.000 0.948 170 R CB -0.533 29.782 30.300 0.025 0.000 0.845 170 R HN 0.037 nan 8.270 nan 0.000 0.430 171 D N 0.027 120.419 120.400 -0.014 0.000 2.178 171 D HA -0.091 4.548 4.640 -0.001 0.000 0.201 171 D C 1.540 177.821 176.300 -0.032 0.000 0.980 171 D CA 1.472 55.455 54.000 -0.028 0.000 0.842 171 D CB -0.220 40.555 40.800 -0.042 0.000 0.948 171 D HN 0.413 nan 8.370 nan 0.000 0.472 172 A N -0.284 122.509 122.820 -0.045 0.000 2.119 172 A HA 0.303 4.623 4.320 -0.001 0.000 0.217 172 A C 1.766 179.342 177.584 -0.013 0.000 1.153 172 A CA 1.512 53.522 52.037 -0.045 0.000 0.692 172 A CB -0.102 18.845 19.000 -0.089 0.000 0.799 172 A HN 0.303 nan 8.150 nan 0.000 0.458 173 G N -2.755 106.050 108.800 0.008 0.000 2.148 173 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.157 173 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.157 173 G C -0.075 174.842 174.900 0.028 0.000 1.012 173 G CA 0.122 45.227 45.100 0.008 0.000 0.677 173 G HN 0.167 nan 8.290 nan 0.000 0.506 174 M N -0.001 119.636 119.600 0.062 0.000 2.753 174 M HA 0.603 5.083 4.480 -0.001 0.000 0.299 174 M C 0.269 176.585 176.300 0.027 0.000 1.219 174 M CA -0.678 54.661 55.300 0.064 0.000 0.900 174 M CB 1.103 33.782 32.600 0.132 0.000 1.628 174 M HN 0.111 nan 8.290 nan 0.000 0.502 175 Q N 0.993 120.784 119.800 -0.014 0.000 2.257 175 Q HA 0.601 4.941 4.340 -0.001 0.000 0.262 175 Q C -1.115 174.804 176.000 -0.136 0.000 0.997 175 Q CA -0.809 54.961 55.803 -0.055 0.000 0.873 175 Q CB 2.110 30.816 28.738 -0.054 0.000 1.312 175 Q HN 0.413 nan 8.270 nan 0.000 0.450 176 L N 2.214 123.351 121.223 -0.144 0.000 2.309 176 L HA 0.419 4.758 4.340 -0.001 0.000 0.282 176 L C 0.291 176.979 176.870 -0.304 0.000 1.036 176 L CA -0.249 54.461 54.840 -0.217 0.000 0.806 176 L CB 1.266 43.252 42.059 -0.123 0.000 1.220 176 L HN 0.521 nan 8.230 nan 0.000 0.429 177 Q N 1.398 120.891 119.800 -0.512 0.000 2.572 177 Q HA 0.780 5.120 4.340 -0.001 0.000 0.284 177 Q C -0.170 175.679 176.000 -0.253 0.000 1.091 177 Q CA -0.802 54.685 55.803 -0.526 0.000 0.840 177 Q CB 2.363 30.399 28.738 -1.169 0.000 1.433 177 Q HN 0.733 nan 8.270 nan 0.000 0.471 178 G N -0.032 108.756 108.800 -0.020 0.000 2.569 178 G HA2 0.696 4.656 3.960 -0.001 0.000 0.300 178 G HA3 0.696 4.656 3.960 -0.001 0.000 0.300 178 G C -1.707 173.440 174.900 0.410 0.000 1.269 178 G CA -0.540 44.648 45.100 0.147 0.000 0.959 178 G HN 0.498 nan 8.290 nan 0.000 0.478 179 Y N -1.295 119.167 120.300 0.269 0.000 2.553 179 Y HA 0.740 5.289 4.550 -0.001 0.000 0.347 179 Y C 0.073 176.108 175.900 0.226 0.000 1.019 179 Y CA -1.690 56.558 58.100 0.247 0.000 1.032 179 Y CB 1.257 39.864 38.460 0.245 0.000 1.284 179 Y HN 0.516 nan 8.280 nan 0.000 0.466 180 R N 1.744 122.412 120.500 0.281 0.000 2.570 180 R HA 0.106 4.446 4.340 -0.001 0.000 0.277 180 R C -0.968 175.492 176.300 0.266 0.000 1.039 180 R CA 0.527 56.737 56.100 0.183 0.000 1.065 180 R CB 0.345 30.719 30.300 0.124 0.000 0.964 180 R HN 0.964 nan 8.270 nan 0.000 0.428 181 Y N 2.313 122.649 120.300 0.060 0.000 3.260 181 Y HA 0.075 4.624 4.550 -0.000 0.000 0.202 181 Y C -0.538 175.481 175.900 0.199 0.000 0.962 181 Y CA -0.186 58.002 58.100 0.147 0.000 1.582 181 Y CB 0.075 38.462 38.460 -0.122 0.000 1.478 181 Y HN 0.554 nan 8.280 nan 0.000 0.384 182 Y N 2.719 123.099 120.300 0.134 0.000 2.326 182 Y HA 0.365 4.914 4.550 -0.001 0.000 0.333 182 Y C -0.704 175.215 175.900 0.032 0.000 1.240 182 Y CA -0.144 57.986 58.100 0.050 0.000 1.365 182 Y CB 0.693 39.199 38.460 0.077 0.000 1.289 182 Y HN 0.193 nan 8.280 nan 0.000 0.548 183 D N 6.719 126.701 120.400 -0.696 0.000 2.440 183 D HA 0.318 4.958 4.640 -0.001 0.000 0.252 183 D C -2.267 173.584 176.300 -0.749 0.000 1.180 183 D CA -2.519 51.179 54.000 -0.504 0.000 0.894 183 D CB 1.746 42.346 40.800 -0.335 0.000 1.111 183 D HN 0.255 nan 8.370 nan 0.000 0.544 184 P HA -0.104 nan 4.420 nan 0.000 0.219 184 P C 0.979 178.159 177.300 -0.201 0.000 1.146 184 P CA 0.995 63.967 63.100 -0.214 0.000 0.808 184 P CB 0.440 32.165 31.700 0.042 0.000 0.779 185 K N -0.663 119.624 120.400 -0.188 0.000 2.097 185 K HA -0.073 4.246 4.320 -0.001 0.000 0.206 185 K C 1.717 178.208 176.600 -0.182 0.000 1.049 185 K CA 2.004 58.199 56.287 -0.154 0.000 0.933 185 K CB -0.626 31.803 32.500 -0.118 0.000 0.717 185 K HN 0.301 nan 8.250 nan 0.000 0.442 186 T N -3.250 111.169 114.554 -0.225 0.000 3.044 186 T HA 0.111 4.461 4.350 -0.001 0.000 0.260 186 T C 0.819 175.384 174.700 -0.225 0.000 1.019 186 T CA -0.239 61.747 62.100 -0.190 0.000 0.921 186 T CB -0.505 68.274 68.868 -0.148 0.000 1.053 186 T HN 0.237 nan 8.240 nan 0.000 0.533 187 C N 1.334 120.434 119.300 -0.334 0.000 4.185 187 C HA -0.024 4.436 4.460 -0.001 0.000 0.297 187 C C 1.565 176.508 174.990 -0.079 0.000 1.463 187 C CA 0.221 59.091 59.018 -0.246 0.000 2.032 187 C CB -2.294 25.193 27.740 -0.422 0.000 1.282 187 C HN 1.002 nan 8.230 nan 0.000 0.770 188 G N -1.945 106.720 108.800 -0.226 0.000 3.262 188 G HA2 0.661 4.620 3.960 -0.001 0.000 0.229 188 G HA3 0.661 4.620 3.960 -0.001 0.000 0.229 188 G C -0.999 173.843 174.900 -0.096 0.000 1.280 188 G CA -0.412 44.651 45.100 -0.062 0.000 0.951 188 G HN 0.311 nan 8.290 nan 0.000 0.589 189 F N 1.709 121.518 119.950 -0.235 0.000 2.391 189 F HA 0.418 4.945 4.527 -0.001 0.000 0.359 189 F C -0.020 175.650 175.800 -0.217 0.000 1.122 189 F CA -2.262 55.537 58.000 -0.336 0.000 1.120 189 F CB 1.342 40.118 39.000 -0.373 0.000 1.142 189 F HN 0.245 nan 8.300 nan 0.000 0.483 190 D N 6.487 126.651 120.400 -0.394 0.000 2.541 190 D HA -0.083 4.556 4.640 -0.001 0.000 0.231 190 D C 1.208 177.079 176.300 -0.715 0.000 1.163 190 D CA 0.113 53.867 54.000 -0.410 0.000 1.077 190 D CB -0.619 40.050 40.800 -0.219 0.000 1.110 190 D HN 0.523 nan 8.370 nan 0.000 0.499 191 F N 2.419 121.714 119.950 -1.091 0.000 2.095 191 F HA -0.215 4.311 4.527 -0.001 0.000 0.298 191 F C 2.349 177.814 175.800 -0.557 0.000 1.104 191 F CA 1.938 59.218 58.000 -1.201 0.000 1.232 191 F CB -0.611 37.956 39.000 -0.722 0.000 0.987 191 F HN 0.328 nan 8.300 nan 0.000 0.475 192 S N -0.501 114.939 115.700 -0.433 0.000 2.461 192 S HA 0.074 4.544 4.470 -0.001 0.000 0.228 192 S C 2.304 176.719 174.600 -0.309 0.000 1.005 192 S CA 0.568 58.500 58.200 -0.447 0.000 0.942 192 S CB -1.155 61.886 63.200 -0.265 0.000 0.776 192 S HN 0.428 nan 8.310 nan 0.000 0.514 193 G N 1.587 110.242 108.800 -0.241 0.000 2.394 193 G HA2 0.146 4.106 3.960 -0.001 0.000 0.214 193 G HA3 0.146 4.106 3.960 -0.001 0.000 0.214 193 G C 1.675 176.532 174.900 -0.072 0.000 1.176 193 G CA 0.593 45.618 45.100 -0.126 0.000 0.786 193 G HN 0.716 nan 8.290 nan 0.000 0.533 194 A N 0.639 123.407 122.820 -0.088 0.000 1.883 194 A HA 0.046 4.366 4.320 -0.001 0.000 0.217 194 A C 2.443 180.020 177.584 -0.012 0.000 1.186 194 A CA 1.334 53.440 52.037 0.114 0.000 0.624 194 A CB -0.525 18.626 19.000 0.251 0.000 0.822 194 A HN 0.343 nan 8.150 nan 0.000 0.444 195 L N -0.925 120.172 121.223 -0.210 0.000 2.017 195 L HA -0.215 4.124 4.340 -0.001 0.000 0.208 195 L C 2.775 179.551 176.870 -0.157 0.000 1.073 195 L CA 1.939 56.637 54.840 -0.237 0.000 0.745 195 L CB -0.492 41.284 42.059 -0.472 0.000 0.894 195 L HN 0.629 nan 8.230 nan 0.000 0.432 196 E N 0.200 120.310 120.200 -0.150 0.000 2.058 196 E HA -0.280 4.070 4.350 -0.001 0.000 0.194 196 E C 1.664 178.230 176.600 -0.057 0.000 0.997 196 E CA 1.900 58.242 56.400 -0.096 0.000 0.801 196 E CB 0.079 29.729 29.700 -0.084 0.000 0.746 196 E HN 0.426 nan 8.360 nan 0.000 0.450 197 D N 0.380 120.768 120.400 -0.019 0.000 2.092 197 D HA -0.152 4.487 4.640 -0.001 0.000 0.193 197 D C 2.034 178.294 176.300 -0.066 0.000 0.994 197 D CA 1.107 55.122 54.000 0.024 0.000 0.828 197 D CB -0.265 40.625 40.800 0.150 0.000 0.963 197 D HN 0.296 nan 8.370 nan 0.000 0.450 198 I N 0.393 120.896 120.570 -0.112 0.000 2.361 198 I HA -0.203 3.967 4.170 -0.001 0.000 0.251 198 I C 2.153 178.165 176.117 -0.175 0.000 1.133 198 I CA 0.674 61.844 61.300 -0.217 0.000 1.413 198 I CB -0.094 37.781 38.000 -0.209 0.000 1.073 198 I HN -0.124 nan 8.210 nan 0.000 0.424 199 S N 0.240 115.869 115.700 -0.118 0.000 2.447 199 S HA -0.095 4.375 4.470 -0.001 0.000 0.233 199 S C 1.678 176.228 174.600 -0.084 0.000 1.006 199 S CA 1.124 59.268 58.200 -0.093 0.000 0.957 199 S CB -0.078 63.075 63.200 -0.078 0.000 0.773 199 S HN 0.393 nan 8.310 nan 0.000 0.507 200 K N 0.311 120.657 120.400 -0.089 0.000 2.373 200 K HA 0.288 4.608 4.320 -0.001 0.000 0.202 200 K C -0.249 176.296 176.600 -0.092 0.000 1.025 200 K CA -0.113 56.138 56.287 -0.061 0.000 1.115 200 K CB 0.361 32.847 32.500 -0.023 0.000 0.858 200 K HN 0.302 nan 8.250 nan 0.000 0.525 201 I N 3.599 124.044 120.570 -0.208 0.000 2.598 201 I HA 0.003 4.173 4.170 -0.001 0.000 0.284 201 I C -2.178 173.847 176.117 -0.152 0.000 1.140 201 I CA -1.963 59.126 61.300 -0.353 0.000 1.420 201 I CB 0.375 37.972 38.000 -0.670 0.000 1.387 201 I HN -0.186 nan 8.210 nan 0.000 0.553 202 P HA -0.035 nan 4.420 nan 0.000 0.262 202 P C -0.532 176.786 177.300 0.030 0.000 1.182 202 P CA 0.032 63.152 63.100 0.033 0.000 0.761 202 P CB 0.272 32.037 31.700 0.109 0.000 0.795 203 E N 3.109 123.325 120.200 0.026 0.000 2.604 203 E HA -0.182 4.167 4.350 -0.001 0.000 0.267 203 E C 0.352 177.002 176.600 0.083 0.000 0.970 203 E CA 0.761 57.181 56.400 0.033 0.000 0.956 203 E CB -0.130 29.581 29.700 0.020 0.000 0.939 203 E HN 0.457 nan 8.360 nan 0.000 0.465 204 Q N -0.482 119.373 119.800 0.091 0.000 2.503 204 Q HA -0.180 4.160 4.340 -0.001 0.000 0.267 204 Q C -0.569 175.668 176.000 0.394 0.000 1.030 204 Q CA 0.329 56.230 55.803 0.162 0.000 1.041 204 Q CB -1.588 27.159 28.738 0.014 0.000 1.406 204 Q HN 0.394 nan 8.270 nan 0.000 0.524 205 S N -0.371 115.514 115.700 0.309 0.000 2.681 205 S HA 0.568 5.037 4.470 -0.001 0.000 0.270 205 S C 0.371 175.156 174.600 0.309 0.000 1.209 205 S CA -0.723 57.697 58.200 0.366 0.000 0.988 205 S CB 1.723 65.100 63.200 0.296 0.000 1.006 205 S HN 0.185 nan 8.310 nan 0.000 0.558 206 V N 2.067 122.114 119.914 0.221 0.000 2.427 206 V HA 0.400 4.520 4.120 -0.001 0.000 0.286 206 V C -0.335 175.867 176.094 0.180 0.000 1.034 206 V CA -0.535 61.832 62.300 0.112 0.000 0.893 206 V CB 1.152 32.902 31.823 -0.121 0.000 0.982 206 V HN 0.627 nan 8.190 nan 0.000 0.452 207 L N 5.785 127.085 121.223 0.129 0.000 2.298 207 L HA 0.558 4.898 4.340 -0.001 0.000 0.284 207 L C -0.627 176.286 176.870 0.071 0.000 1.013 207 L CA -0.561 54.324 54.840 0.074 0.000 0.824 207 L CB 1.464 43.496 42.059 -0.045 0.000 1.221 207 L HN 0.610 nan 8.230 nan 0.000 0.418 208 L N 6.023 127.308 121.223 0.103 0.000 2.265 208 L HA 0.455 4.795 4.340 -0.001 0.000 0.288 208 L C -1.173 175.808 176.870 0.185 0.000 1.058 208 L CA -0.388 54.507 54.840 0.093 0.000 0.809 208 L CB 0.920 42.918 42.059 -0.101 0.000 1.179 208 L HN 0.567 nan 8.230 nan 0.000 0.429 209 L N 5.287 126.533 121.223 0.038 0.000 2.325 209 L HA 0.425 4.765 4.340 -0.001 0.000 0.281 209 L C -0.156 176.898 176.870 0.307 0.000 1.004 209 L CA -0.637 54.282 54.840 0.132 0.000 0.823 209 L CB 1.342 43.239 42.059 -0.269 0.000 1.236 209 L HN 0.542 nan 8.230 nan 0.000 0.415 210 H N 2.578 121.845 119.070 0.329 0.000 2.975 210 H HA 0.040 4.596 4.556 -0.000 0.000 0.303 210 H C 0.748 176.375 175.328 0.499 0.000 1.023 210 H CA 0.111 56.388 56.048 0.381 0.000 1.473 210 H CB 1.525 31.499 29.762 0.353 0.000 1.498 210 H HN 0.892 nan 8.280 nan 0.000 0.549 211 A N 3.949 127.069 122.820 0.500 0.000 1.930 211 A HA -0.053 4.267 4.320 -0.001 0.000 0.217 211 A C 1.121 178.902 177.584 0.329 0.000 1.175 211 A CA 1.359 53.597 52.037 0.335 0.000 0.627 211 A CB -0.097 18.952 19.000 0.083 0.000 0.815 211 A HN 0.831 nan 8.150 nan 0.000 0.443 212 C N -5.742 113.784 119.300 0.376 0.000 3.247 212 C HA 0.658 5.117 4.460 -0.001 0.000 0.375 212 C C 0.247 175.445 174.990 0.347 0.000 1.102 212 C CA -0.628 58.597 59.018 0.347 0.000 1.227 212 C CB 0.581 28.460 27.740 0.232 0.000 1.586 212 C HN 2.284 nan 8.230 nan 0.000 0.544 213 A N 2.575 125.559 122.820 0.273 0.000 2.475 213 A HA -0.084 4.235 4.320 -0.001 0.000 0.295 213 A C 0.268 177.984 177.584 0.220 0.000 1.457 213 A CA 1.232 53.370 52.037 0.168 0.000 0.734 213 A CB -2.270 16.726 19.000 -0.007 0.000 1.118 213 A HN 2.276 nan 8.150 nan 0.000 0.400 214 H N 0.800 119.978 119.070 0.179 0.000 3.092 214 H HA 0.173 4.728 4.556 -0.001 0.000 0.332 214 H C 0.199 175.572 175.328 0.075 0.000 1.029 214 H CA 1.663 57.760 56.048 0.081 0.000 1.376 214 H CB 0.437 30.166 29.762 -0.056 0.000 1.329 214 H HN 0.728 nan 8.280 nan 0.000 0.598 215 N N 5.935 124.359 118.700 -0.459 0.000 2.399 215 N HA 0.181 4.920 4.740 -0.001 0.000 0.284 215 N C -2.323 172.912 175.510 -0.459 0.000 1.025 215 N CA -2.232 50.701 53.050 -0.194 0.000 0.885 215 N CB 1.955 40.486 38.487 0.074 0.000 1.339 215 N HN 0.347 nan 8.380 nan 0.000 0.487 216 P HA 0.097 nan 4.420 nan 0.000 0.257 216 P C 0.927 178.095 177.300 -0.220 0.000 1.241 216 P CA 0.431 63.380 63.100 -0.251 0.000 0.816 216 P CB 0.328 31.918 31.700 -0.183 0.000 1.150 217 T N -3.923 110.472 114.554 -0.264 0.000 2.851 217 T HA 0.186 4.535 4.350 -0.001 0.000 0.262 217 T C 1.772 176.521 174.700 0.082 0.000 1.043 217 T CA 1.535 63.393 62.100 -0.402 0.000 1.140 217 T CB -1.155 67.412 68.868 -0.502 0.000 0.872 217 T HN 0.188 nan 8.240 nan 0.000 0.446 218 G N 0.382 109.303 108.800 0.202 0.000 2.194 218 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.236 218 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.236 218 G C 0.104 175.123 174.900 0.198 0.000 0.987 218 G CA -0.043 45.176 45.100 0.198 0.000 0.635 218 G HN 0.753 nan 8.290 nan 0.000 0.520 219 V N 1.787 121.827 119.914 0.211 0.000 2.530 219 V HA 0.549 4.669 4.120 -0.001 0.000 0.282 219 V C -0.065 176.075 176.094 0.076 0.000 1.048 219 V CA 0.082 62.464 62.300 0.137 0.000 0.997 219 V CB 1.484 33.397 31.823 0.149 0.000 0.987 219 V HN 0.313 nan 8.190 nan 0.000 0.477 220 D N 5.028 125.416 120.400 -0.019 0.000 2.490 220 D HA 0.562 5.202 4.640 -0.001 0.000 0.232 220 D C -2.734 173.336 176.300 -0.384 0.000 1.053 220 D CA -1.453 52.497 54.000 -0.083 0.000 0.914 220 D CB 1.968 42.843 40.800 0.124 0.000 1.431 220 D HN 0.271 nan 8.370 nan 0.000 0.483 221 P HA 0.336 nan 4.420 nan 0.000 0.278 221 P C -0.278 176.827 177.300 -0.325 0.000 1.238 221 P CA -0.438 62.210 63.100 -0.754 0.000 0.794 221 P CB 0.882 31.743 31.700 -1.397 0.000 0.955 222 R N 3.572 123.951 120.500 -0.201 0.000 2.679 222 R HA 0.129 4.469 4.340 -0.001 0.000 0.269 222 R C -1.383 174.908 176.300 -0.015 0.000 1.076 222 R CA -1.217 54.828 56.100 -0.091 0.000 1.160 222 R CB -0.372 29.853 30.300 -0.126 0.000 1.054 222 R HN 0.389 nan 8.270 nan 0.000 0.507 223 P HA -0.277 nan 4.420 nan 0.000 0.215 223 P C 0.825 178.162 177.300 0.061 0.000 1.163 223 P CA 1.540 64.590 63.100 -0.084 0.000 0.894 223 P CB 0.085 31.392 31.700 -0.656 0.000 0.791 224 E N 0.418 120.588 120.200 -0.050 0.000 2.160 224 E HA -0.237 4.112 4.350 -0.001 0.000 0.195 224 E C 1.865 178.476 176.600 0.018 0.000 0.991 224 E CA 1.434 57.832 56.400 -0.004 0.000 0.810 224 E CB -1.268 28.401 29.700 -0.051 0.000 0.742 224 E HN 0.425 nan 8.360 nan 0.000 0.466 225 Q N -0.264 119.458 119.800 -0.131 0.000 2.119 225 Q HA -0.085 4.255 4.340 -0.001 0.000 0.201 225 Q C 2.021 178.116 176.000 0.159 0.000 0.972 225 Q CA 1.439 57.078 55.803 -0.274 0.000 0.847 225 Q CB -0.300 28.048 28.738 -0.650 0.000 0.903 225 Q HN 0.378 nan 8.270 nan 0.000 0.433 226 W N 1.319 122.768 121.300 0.248 0.000 2.358 226 W HA -0.155 4.505 4.660 -0.001 0.000 0.303 226 W C 2.261 179.021 176.519 0.401 0.000 1.208 226 W CA 0.737 58.347 57.345 0.443 0.000 1.274 226 W CB 0.057 29.875 29.460 0.597 0.000 1.138 226 W HN 0.051 nan 8.180 nan 0.000 0.515 227 K N 0.162 120.875 120.400 0.521 0.000 2.059 227 K HA -0.292 4.028 4.320 -0.001 0.000 0.212 227 K C 1.809 178.599 176.600 0.315 0.000 1.050 227 K CA 2.196 58.696 56.287 0.354 0.000 0.927 227 K CB -0.314 32.323 32.500 0.229 0.000 0.714 227 K HN -0.079 nan 8.250 nan 0.000 0.447 228 E N 0.629 121.023 120.200 0.324 0.000 2.106 228 E HA -0.089 4.260 4.350 -0.001 0.000 0.192 228 E C 1.660 178.410 176.600 0.249 0.000 0.984 228 E CA 1.052 57.627 56.400 0.291 0.000 0.806 228 E CB -0.052 29.891 29.700 0.405 0.000 0.750 228 E HN 0.292 nan 8.360 nan 0.000 0.458 229 I N 0.270 121.055 120.570 0.357 0.000 2.179 229 I HA -0.296 3.874 4.170 -0.001 0.000 0.242 229 I C 2.410 178.604 176.117 0.128 0.000 1.088 229 I CA 1.105 62.594 61.300 0.316 0.000 1.357 229 I CB -0.632 37.682 38.000 0.524 0.000 1.051 229 I HN 0.135 nan 8.210 nan 0.000 0.409 230 A N 1.116 123.904 122.820 -0.053 0.000 1.892 230 A HA -0.299 4.020 4.320 -0.001 0.000 0.218 230 A C 2.528 179.958 177.584 -0.255 0.000 1.188 230 A CA 2.814 54.495 52.037 -0.593 0.000 0.631 230 A CB -1.020 17.612 19.000 -0.613 0.000 0.822 230 A HN 0.555 nan 8.150 nan 0.000 0.447 231 S N -0.683 114.976 115.700 -0.068 0.000 2.428 231 S HA -0.061 4.409 4.470 -0.001 0.000 0.230 231 S C 1.735 176.314 174.600 -0.035 0.000 1.014 231 S CA 1.263 59.438 58.200 -0.042 0.000 0.957 231 S CB -0.689 62.518 63.200 0.013 0.000 0.784 231 S HN 0.298 nan 8.310 nan 0.000 0.499 232 V N 1.598 121.501 119.914 -0.018 0.000 2.358 232 V HA -0.099 4.021 4.120 -0.001 0.000 0.246 232 V C 2.671 178.739 176.094 -0.043 0.000 1.047 232 V CA 1.547 63.830 62.300 -0.028 0.000 1.035 232 V CB -0.990 30.819 31.823 -0.024 0.000 0.658 232 V HN 0.452 nan 8.190 nan 0.000 0.452 233 V N -0.044 119.841 119.914 -0.048 0.000 2.332 233 V HA -0.262 3.858 4.120 -0.001 0.000 0.248 233 V C 2.599 178.666 176.094 -0.045 0.000 1.055 233 V CA 2.202 64.481 62.300 -0.036 0.000 1.038 233 V CB -0.625 31.199 31.823 0.001 0.000 0.651 233 V HN 0.456 nan 8.190 nan 0.000 0.450 234 K N 0.344 120.699 120.400 -0.076 0.000 2.097 234 K HA -0.110 4.210 4.320 -0.001 0.000 0.205 234 K C 2.076 178.651 176.600 -0.042 0.000 1.050 234 K CA 1.503 57.751 56.287 -0.065 0.000 0.938 234 K CB -0.260 32.183 32.500 -0.095 0.000 0.718 234 K HN 0.379 nan 8.250 nan 0.000 0.442 235 K N -0.164 120.212 120.400 -0.039 0.000 2.076 235 K HA 0.066 4.386 4.320 -0.001 0.000 0.204 235 K C 1.377 177.962 176.600 -0.026 0.000 1.051 235 K CA 0.910 57.179 56.287 -0.029 0.000 0.949 235 K CB 0.148 32.632 32.500 -0.026 0.000 0.726 235 K HN -0.053 nan 8.250 nan 0.000 0.443 236 K N 0.939 121.320 120.400 -0.031 0.000 2.476 236 K HA 0.019 4.339 4.320 -0.001 0.000 0.196 236 K C -0.198 176.392 176.600 -0.017 0.000 1.025 236 K CA -0.023 56.246 56.287 -0.029 0.000 1.138 236 K CB 0.036 32.508 32.500 -0.046 0.000 0.860 236 K HN 0.097 nan 8.250 nan 0.000 0.515 237 N N 1.528 120.220 118.700 -0.012 0.000 2.705 237 N HA -0.183 4.557 4.740 -0.001 0.000 0.255 237 N C -1.145 174.387 175.510 0.037 0.000 1.008 237 N CA 0.485 53.535 53.050 0.000 0.000 0.742 237 N CB -1.260 37.216 38.487 -0.018 0.000 0.906 237 N HN 0.199 nan 8.380 nan 0.000 0.541 238 L N -0.076 121.176 121.223 0.048 0.000 2.360 238 L HA 0.528 4.868 4.340 -0.001 0.000 0.271 238 L C 0.537 177.504 176.870 0.162 0.000 1.057 238 L CA -1.035 53.865 54.840 0.100 0.000 0.803 238 L CB 0.716 42.789 42.059 0.023 0.000 1.207 238 L HN 0.127 nan 8.230 nan 0.000 0.445 239 F N 1.716 121.746 119.950 0.133 0.000 2.405 239 F HA 0.567 5.094 4.527 -0.000 0.000 0.355 239 F C 0.195 176.060 175.800 0.109 0.000 1.121 239 F CA -0.669 57.424 58.000 0.154 0.000 1.112 239 F CB 1.059 40.171 39.000 0.186 0.000 1.126 239 F HN 0.434 nan 8.300 nan 0.000 0.481 240 A N 7.135 129.607 122.820 -0.580 0.000 2.252 240 A HA 0.428 4.747 4.320 -0.001 0.000 0.309 240 A C -1.455 175.897 177.584 -0.388 0.000 1.285 240 A CA -0.387 51.451 52.037 -0.332 0.000 0.900 240 A CB -0.299 18.622 19.000 -0.132 0.000 1.157 240 A HN 0.751 nan 8.150 nan 0.000 0.536 241 F N 3.478 123.265 119.950 -0.271 0.000 2.308 241 F HA 0.543 5.069 4.527 -0.001 0.000 0.370 241 F C -0.883 174.833 175.800 -0.140 0.000 1.100 241 F CA -0.722 57.262 58.000 -0.027 0.000 1.108 241 F CB 0.344 39.432 39.000 0.146 0.000 1.293 241 F HN 0.522 nan 8.300 nan 0.000 0.478 242 F N 3.931 123.818 119.950 -0.105 0.000 2.424 242 F HA 0.161 4.688 4.527 -0.001 0.000 0.356 242 F C 0.343 176.142 175.800 -0.002 0.000 1.110 242 F CA -0.361 57.596 58.000 -0.072 0.000 1.161 242 F CB 0.562 39.426 39.000 -0.227 0.000 1.115 242 F HN 0.329 nan 8.300 nan 0.000 0.507 243 D N 5.852 126.425 120.400 0.288 0.000 2.412 243 D HA 0.175 4.814 4.640 -0.001 0.000 0.224 243 D C -0.726 175.652 176.300 0.131 0.000 1.093 243 D CA -0.319 53.808 54.000 0.212 0.000 0.850 243 D CB 0.811 41.734 40.800 0.204 0.000 1.046 243 D HN 0.507 nan 8.370 nan 0.000 0.507 244 M N 4.109 123.740 119.600 0.051 0.000 2.325 244 M HA 0.471 4.950 4.480 -0.001 0.000 0.305 244 M C -0.227 175.991 176.300 -0.136 0.000 1.047 244 M CA -0.568 54.726 55.300 -0.009 0.000 0.981 244 M CB 0.965 33.528 32.600 -0.062 0.000 1.307 244 M HN 0.374 nan 8.290 nan 0.000 0.418 245 A N 2.944 125.626 122.820 -0.230 0.000 2.238 245 A HA 0.140 4.460 4.320 -0.001 0.000 0.210 245 A C 0.112 177.208 177.584 -0.812 0.000 1.179 245 A CA 0.520 52.194 52.037 -0.606 0.000 0.827 245 A CB -0.126 18.351 19.000 -0.871 0.000 0.856 245 A HN 0.872 nan 8.150 nan 0.000 0.488 246 Y N -0.780 119.485 120.300 -0.059 0.000 2.768 246 Y HA 0.265 4.815 4.550 -0.000 0.000 0.249 246 Y C 0.541 176.476 175.900 0.058 0.000 1.146 246 Y CA -0.907 57.200 58.100 0.011 0.000 1.171 246 Y CB -0.197 38.334 38.460 0.117 0.000 1.249 246 Y HN 0.352 nan 8.280 nan 0.000 0.567 247 Q N 1.109 120.950 119.800 0.069 0.000 2.262 247 Q HA 0.253 4.593 4.340 -0.001 0.000 0.298 247 Q C 1.323 177.362 176.000 0.065 0.000 1.083 247 Q CA 1.836 57.663 55.803 0.041 0.000 0.962 247 Q CB 0.290 29.001 28.738 -0.046 0.000 1.104 247 Q HN 0.777 nan 8.270 nan 0.000 0.376 248 G N 4.098 112.923 108.800 0.041 0.000 3.757 248 G HA2 -0.411 3.549 3.960 -0.001 0.000 0.215 248 G HA3 -0.411 3.549 3.960 -0.001 0.000 0.215 248 G C 0.375 175.299 174.900 0.040 0.000 1.411 248 G CA 0.326 45.410 45.100 -0.027 0.000 0.896 248 G HN 0.723 nan 8.290 nan 0.000 0.581 249 F N 2.937 122.877 119.950 -0.018 0.000 2.154 249 F HA 0.164 4.691 4.527 -0.000 0.000 0.301 249 F C 2.841 178.651 175.800 0.016 0.000 1.087 249 F CA 2.641 60.648 58.000 0.012 0.000 1.274 249 F CB -0.334 38.742 39.000 0.127 0.000 1.009 249 F HN 0.511 nan 8.300 nan 0.000 0.485 250 A N -0.770 122.192 122.820 0.235 0.000 1.858 250 A HA -0.183 4.137 4.320 -0.001 0.000 0.216 250 A C 2.209 179.788 177.584 -0.009 0.000 1.190 250 A CA 2.460 54.575 52.037 0.131 0.000 0.617 250 A CB -1.032 18.072 19.000 0.172 0.000 0.827 250 A HN 0.482 nan 8.150 nan 0.000 0.443 251 S N -4.477 111.213 115.700 -0.018 0.000 2.679 251 S HA 0.445 4.915 4.470 -0.001 0.000 0.258 251 S C 1.217 175.771 174.600 -0.078 0.000 1.068 251 S CA 1.099 59.272 58.200 -0.045 0.000 1.115 251 S CB 0.514 63.707 63.200 -0.012 0.000 1.078 251 S HN 2.067 nan 8.310 nan 0.000 0.603 252 G N 1.177 109.922 108.800 -0.092 0.000 2.176 252 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.232 252 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.232 252 G C -0.383 174.450 174.900 -0.113 0.000 0.986 252 G CA 0.155 45.180 45.100 -0.125 0.000 0.643 252 G HN 0.664 nan 8.290 nan 0.000 0.522 253 D N 0.137 120.490 120.400 -0.079 0.000 2.420 253 D HA 0.540 5.180 4.640 -0.001 0.000 0.255 253 D C 1.583 177.854 176.300 -0.048 0.000 1.185 253 D CA 0.389 54.349 54.000 -0.067 0.000 0.904 253 D CB 0.445 41.217 40.800 -0.047 0.000 1.102 253 D HN 0.224 nan 8.370 nan 0.000 0.534 254 G N 2.855 111.610 108.800 -0.074 0.000 2.503 254 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.221 254 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.221 254 G C 1.095 175.981 174.900 -0.025 0.000 1.131 254 G CA 0.671 45.737 45.100 -0.056 0.000 0.756 254 G HN 0.501 nan 8.290 nan 0.000 0.572 255 D N 0.103 120.494 120.400 -0.015 0.000 2.149 255 D HA -0.064 4.575 4.640 -0.001 0.000 0.201 255 D C 2.274 178.615 176.300 0.068 0.000 0.972 255 D CA 1.067 55.078 54.000 0.017 0.000 0.835 255 D CB -0.072 40.742 40.800 0.023 0.000 0.966 255 D HN 0.422 nan 8.370 nan 0.000 0.476 256 K N 0.868 121.297 120.400 0.048 0.000 2.103 256 K HA -0.128 4.191 4.320 -0.001 0.000 0.204 256 K C 1.365 178.027 176.600 0.103 0.000 1.052 256 K CA 1.119 57.447 56.287 0.068 0.000 0.945 256 K CB 0.227 32.727 32.500 -0.000 0.000 0.722 256 K HN -0.176 nan 8.250 nan 0.000 0.443 257 D N 0.340 120.775 120.400 0.059 0.000 2.178 257 D HA -0.114 4.525 4.640 -0.001 0.000 0.201 257 D C 1.127 177.440 176.300 0.020 0.000 0.980 257 D CA 1.327 55.364 54.000 0.062 0.000 0.842 257 D CB 0.079 40.910 40.800 0.051 0.000 0.948 257 D HN 0.365 nan 8.370 nan 0.000 0.472 258 A N -1.008 121.799 122.820 -0.022 0.000 2.465 258 A HA 0.132 4.451 4.320 -0.001 0.000 0.255 258 A C 1.523 178.999 177.584 -0.180 0.000 1.274 258 A CA -0.464 51.486 52.037 -0.145 0.000 0.920 258 A CB -0.758 18.149 19.000 -0.155 0.000 1.033 258 A HN 0.251 nan 8.150 nan 0.000 0.516 259 W N 0.934 122.107 121.300 -0.211 0.000 2.335 259 W HA -0.248 4.412 4.660 -0.000 0.000 0.311 259 W C 2.156 178.513 176.519 -0.270 0.000 1.213 259 W CA 2.691 59.926 57.345 -0.183 0.000 1.274 259 W CB -0.090 29.302 29.460 -0.113 0.000 1.148 259 W HN 0.369 nan 8.180 nan 0.000 0.498 260 A N -0.272 122.361 122.820 -0.312 0.000 1.858 260 A HA -0.188 4.132 4.320 -0.001 0.000 0.216 260 A C 2.041 179.077 177.584 -0.915 0.000 1.190 260 A CA 2.455 54.026 52.037 -0.777 0.000 0.617 260 A CB -1.364 16.646 19.000 -1.651 0.000 0.827 260 A HN 0.174 nan 8.150 nan 0.000 0.443 261 V N 0.411 119.614 119.914 -1.185 0.000 2.250 261 V HA -0.368 3.751 4.120 -0.001 0.000 0.250 261 V C 2.683 178.341 176.094 -0.726 0.000 1.060 261 V CA 2.550 64.025 62.300 -1.376 0.000 1.030 261 V CB -0.916 30.205 31.823 -1.170 0.000 0.643 261 V HN 0.557 nan 8.190 nan 0.000 0.445 262 R N -1.039 119.111 120.500 -0.584 0.000 2.096 262 R HA -0.198 4.142 4.340 -0.001 0.000 0.235 262 R C 2.302 178.346 176.300 -0.426 0.000 1.127 262 R CA 1.827 57.658 56.100 -0.447 0.000 0.968 262 R CB -0.541 29.518 30.300 -0.401 0.000 0.861 262 R HN 0.686 nan 8.270 nan 0.000 0.440 263 H N 0.206 118.867 119.070 -0.682 0.000 2.326 263 H HA -0.091 4.465 4.556 -0.001 0.000 0.301 263 H C 1.602 176.807 175.328 -0.205 0.000 1.081 263 H CA 1.618 57.307 56.048 -0.598 0.000 1.334 263 H CB -0.159 29.001 29.762 -1.004 0.000 1.385 263 H HN 0.010 nan 8.280 nan 0.000 0.504 264 F N 0.507 120.256 119.950 -0.334 0.000 2.091 264 F HA -0.215 4.312 4.527 -0.001 0.000 0.299 264 F C 2.539 178.203 175.800 -0.227 0.000 1.103 264 F CA 1.523 59.410 58.000 -0.188 0.000 1.228 264 F CB -0.706 38.317 39.000 0.040 0.000 0.984 264 F HN 0.230 nan 8.300 nan 0.000 0.477 265 I N -0.454 120.078 120.570 -0.063 0.000 2.226 265 I HA -0.273 3.896 4.170 -0.001 0.000 0.245 265 I C 2.522 178.545 176.117 -0.156 0.000 1.100 265 I CA 1.597 62.830 61.300 -0.110 0.000 1.374 265 I CB -0.577 37.330 38.000 -0.155 0.000 1.057 265 I HN 0.203 nan 8.210 nan 0.000 0.413 266 E N 0.852 120.917 120.200 -0.224 0.000 2.118 266 E HA -0.259 4.091 4.350 -0.001 0.000 0.195 266 E C 1.801 178.263 176.600 -0.231 0.000 0.992 266 E CA 1.070 57.336 56.400 -0.222 0.000 0.804 266 E CB 0.099 29.647 29.700 -0.253 0.000 0.741 266 E HN 0.424 nan 8.360 nan 0.000 0.458 267 Q N -0.681 118.922 119.800 -0.328 0.000 2.515 267 Q HA -0.004 4.336 4.340 -0.001 0.000 0.212 267 Q C 1.063 176.963 176.000 -0.166 0.000 0.970 267 Q CA 0.954 56.590 55.803 -0.278 0.000 0.941 267 Q CB 0.499 29.000 28.738 -0.394 0.000 0.998 267 Q HN 0.522 nan 8.270 nan 0.000 0.518 268 G N 0.830 109.555 108.800 -0.126 0.000 2.131 268 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.223 268 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.223 268 G C 0.073 174.944 174.900 -0.049 0.000 0.990 268 G CA -0.176 44.880 45.100 -0.074 0.000 0.671 268 G HN 0.344 nan 8.290 nan 0.000 0.521 269 I N 1.384 121.927 120.570 -0.047 0.000 2.307 269 I HA 0.237 4.407 4.170 -0.001 0.000 0.289 269 I C -0.308 175.813 176.117 0.006 0.000 1.021 269 I CA -0.862 60.435 61.300 -0.004 0.000 1.224 269 I CB 0.990 39.016 38.000 0.044 0.000 1.376 269 I HN -0.062 nan 8.210 nan 0.000 0.470 270 N N 7.199 125.906 118.700 0.011 0.000 2.555 270 N HA 0.145 4.884 4.740 -0.001 0.000 0.244 270 N C -0.106 175.380 175.510 -0.039 0.000 1.114 270 N CA -0.091 52.972 53.050 0.022 0.000 0.963 270 N CB 0.926 39.465 38.487 0.087 0.000 1.276 270 N HN 0.426 nan 8.380 nan 0.000 0.510 271 V N -0.263 119.600 119.914 -0.084 0.000 3.214 271 V HA 0.582 4.701 4.120 -0.001 0.000 0.306 271 V C 0.946 176.957 176.094 -0.139 0.000 1.078 271 V CA -1.028 61.154 62.300 -0.197 0.000 1.077 271 V CB 0.961 32.809 31.823 0.042 0.000 1.121 271 V HN 0.610 nan 8.190 nan 0.000 0.468 272 C N 2.241 121.436 119.300 -0.175 0.000 2.630 272 C HA 0.963 5.423 4.460 -0.001 0.000 0.346 272 C C -0.590 174.174 174.990 -0.376 0.000 1.245 272 C CA -0.795 58.075 59.018 -0.246 0.000 1.804 272 C CB 0.835 28.532 27.740 -0.072 0.000 2.279 272 C HN 1.393 nan 8.230 nan 0.000 0.498 273 L N 1.278 122.199 121.223 -0.504 0.000 2.614 273 L HA 0.586 4.925 4.340 -0.001 0.000 0.264 273 L C -1.062 175.718 176.870 -0.151 0.000 0.940 273 L CA -0.107 54.566 54.840 -0.279 0.000 0.903 273 L CB 0.971 42.882 42.059 -0.248 0.000 1.306 273 L HN 1.048 nan 8.230 nan 0.000 0.410 274 C N 3.828 123.148 119.300 0.033 0.000 2.285 274 C HA 0.630 5.089 4.460 -0.001 0.000 0.335 274 C C 0.166 175.185 174.990 0.048 0.000 1.267 274 C CA -0.432 58.690 59.018 0.172 0.000 1.762 274 C CB 0.507 28.405 27.740 0.264 0.000 2.365 274 C HN 0.760 nan 8.230 nan 0.000 0.527 275 Q N 1.514 121.333 119.800 0.033 0.000 2.282 275 Q HA 0.554 4.893 4.340 -0.001 0.000 0.260 275 Q C -0.281 175.681 176.000 -0.064 0.000 0.964 275 Q CA -0.011 55.748 55.803 -0.074 0.000 0.880 275 Q CB 1.996 30.682 28.738 -0.087 0.000 1.286 275 Q HN 0.776 nan 8.270 nan 0.000 0.445 276 S N 1.279 116.847 115.700 -0.219 0.000 2.532 276 S HA 0.450 4.919 4.470 -0.001 0.000 0.301 276 S C -0.952 173.445 174.600 -0.339 0.000 1.083 276 S CA -0.389 57.699 58.200 -0.187 0.000 1.025 276 S CB 0.568 63.610 63.200 -0.264 0.000 1.056 276 S HN 0.620 nan 8.310 nan 0.000 0.494 277 Y N 2.067 122.295 120.300 -0.120 0.000 2.584 277 Y HA 0.468 5.018 4.550 -0.001 0.000 0.254 277 Y C 1.286 177.026 175.900 -0.266 0.000 1.177 277 Y CA -0.069 57.948 58.100 -0.138 0.000 1.216 277 Y CB -0.201 38.205 38.460 -0.090 0.000 1.172 277 Y HN 0.788 nan 8.280 nan 0.000 0.529 281 M N 0.719 120.470 119.600 0.251 0.000 2.412 281 M HA 0.399 4.879 4.480 -0.001 0.000 0.315 281 M C 0.599 176.911 176.300 0.019 0.000 1.092 281 M CA 0.430 55.851 55.300 0.201 0.000 0.974 281 M CB 0.960 33.561 32.600 0.001 0.000 1.437 281 M HN 0.346 nan 8.290 nan 0.000 0.524 282 G N 1.797 110.550 108.800 -0.078 0.000 2.422 282 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.301 282 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.301 282 G C 0.380 175.208 174.900 -0.120 0.000 0.981 282 G CA 0.196 45.220 45.100 -0.128 0.000 0.994 282 G HN 0.552 nan 8.290 nan 0.000 0.514 283 L N -0.993 120.091 121.223 -0.231 0.000 2.629 283 L HA 0.160 4.499 4.340 -0.001 0.000 0.230 283 L C 2.334 179.158 176.870 -0.076 0.000 1.151 283 L CA -0.513 54.257 54.840 -0.118 0.000 0.924 283 L CB -0.436 41.549 42.059 -0.124 0.000 1.137 283 L HN 0.375 nan 8.230 nan 0.000 0.457 284 Y N 1.078 121.383 120.300 0.008 0.000 2.143 284 Y HA -0.404 4.145 4.550 -0.001 0.000 0.226 284 Y C 2.380 178.278 175.900 -0.005 0.000 1.288 284 Y CA 1.961 60.064 58.100 0.006 0.000 0.998 284 Y CB -1.269 37.207 38.460 0.027 0.000 0.792 284 Y HN 0.275 nan 8.280 nan 0.000 0.532 285 G N -1.330 107.570 108.800 0.167 0.000 3.042 285 G HA2 0.015 3.975 3.960 -0.001 0.000 0.212 285 G HA3 0.015 3.975 3.960 -0.001 0.000 0.212 285 G C 1.222 176.133 174.900 0.019 0.000 1.166 285 G CA 0.169 45.318 45.100 0.082 0.000 0.767 285 G HN 0.268 nan 8.290 nan 0.000 0.546 286 E N 0.807 121.002 120.200 -0.009 0.000 2.299 286 E HA 0.001 4.350 4.350 -0.001 0.000 0.193 286 E C 0.517 177.067 176.600 -0.083 0.000 0.998 286 E CA 0.103 56.468 56.400 -0.059 0.000 0.851 286 E CB 0.100 29.744 29.700 -0.092 0.000 0.795 286 E HN 0.159 nan 8.360 nan 0.000 0.492 287 R N -0.379 120.083 120.500 -0.063 0.000 3.055 287 R HA -0.107 4.232 4.340 -0.001 0.000 0.265 287 R C -0.974 175.260 176.300 -0.110 0.000 0.947 287 R CA 0.168 56.226 56.100 -0.070 0.000 0.652 287 R CB -3.032 27.221 30.300 -0.079 0.000 1.367 287 R HN -0.063 nan 8.270 nan 0.000 0.441 288 V N 0.493 120.349 119.914 -0.097 0.000 2.378 288 V HA 0.870 4.990 4.120 -0.001 0.000 0.288 288 V C 1.088 177.238 176.094 0.094 0.000 1.016 288 V CA 0.063 62.273 62.300 -0.150 0.000 0.840 288 V CB 2.075 33.732 31.823 -0.276 0.000 0.994 288 V HN 0.675 nan 8.190 nan 0.000 0.431 289 G N 2.927 111.823 108.800 0.161 0.000 2.727 289 G HA2 0.912 4.871 3.960 -0.001 0.000 0.289 289 G HA3 0.912 4.871 3.960 -0.001 0.000 0.289 289 G C -1.382 173.775 174.900 0.429 0.000 1.418 289 G CA -0.221 45.073 45.100 0.324 0.000 0.818 289 G HN 1.097 nan 8.290 nan 0.000 0.486 290 A N -0.848 122.181 122.820 0.348 0.000 2.549 290 A HA 0.759 5.079 4.320 -0.001 0.000 0.297 290 A C -2.089 175.652 177.584 0.263 0.000 1.061 290 A CA -0.577 51.636 52.037 0.294 0.000 0.690 290 A CB 1.802 20.917 19.000 0.191 0.000 1.287 290 A HN 1.475 nan 8.150 nan 0.000 0.402 291 F N 1.391 121.389 119.950 0.079 0.000 2.467 291 F HA 0.714 5.241 4.527 -0.001 0.000 0.336 291 F C -0.307 175.499 175.800 0.011 0.000 1.123 291 F CA -0.035 57.986 58.000 0.035 0.000 0.964 291 F CB 2.183 41.218 39.000 0.059 0.000 1.136 291 F HN 0.443 nan 8.300 nan 0.000 0.447 292 T N 5.945 120.101 114.554 -0.663 0.000 2.841 292 T HA 0.512 4.861 4.350 -0.001 0.000 0.285 292 T C -1.133 173.141 174.700 -0.711 0.000 0.991 292 T CA -0.550 61.259 62.100 -0.485 0.000 0.966 292 T CB 1.520 70.231 68.868 -0.261 0.000 0.962 292 T HN 0.332 nan 8.240 nan 0.000 0.438 293 V N 4.302 123.927 119.914 -0.482 0.000 2.370 293 V HA 0.358 4.477 4.120 -0.001 0.000 0.283 293 V C 0.198 176.246 176.094 -0.077 0.000 1.023 293 V CA -0.743 61.380 62.300 -0.296 0.000 0.857 293 V CB 1.566 33.263 31.823 -0.210 0.000 0.985 293 V HN 0.713 nan 8.190 nan 0.000 0.443 294 V N 4.687 124.580 119.914 -0.035 0.000 2.583 294 V HA 0.328 4.447 4.120 -0.001 0.000 0.287 294 V C 0.284 176.420 176.094 0.071 0.000 1.051 294 V CA -0.075 62.241 62.300 0.026 0.000 1.010 294 V CB 1.115 32.925 31.823 -0.021 0.000 0.988 294 V HN 1.021 nan 8.190 nan 0.000 0.478 295 C N 3.500 122.845 119.300 0.075 0.000 2.973 295 C HA 0.395 4.855 4.460 -0.001 0.000 0.329 295 C C 1.739 176.766 174.990 0.061 0.000 1.327 295 C CA -0.904 58.160 59.018 0.076 0.000 1.632 295 C CB 1.984 29.753 27.740 0.050 0.000 2.098 295 C HN 0.984 nan 8.230 nan 0.000 0.469 296 K N 0.306 120.742 120.400 0.060 0.000 2.155 296 K HA -0.063 4.257 4.320 -0.001 0.000 0.203 296 K C 0.039 176.658 176.600 0.031 0.000 1.052 296 K CA 1.806 58.120 56.287 0.045 0.000 0.948 296 K CB 0.088 32.617 32.500 0.048 0.000 0.728 296 K HN 0.934 nan 8.250 nan 0.000 0.448 297 D N -3.903 116.513 120.400 0.026 0.000 2.692 297 D HA 0.138 4.778 4.640 -0.001 0.000 0.290 297 D C 0.098 176.396 176.300 -0.004 0.000 1.281 297 D CA -0.116 53.892 54.000 0.013 0.000 0.804 297 D CB 0.548 41.354 40.800 0.010 0.000 1.331 297 D HN -0.136 nan 8.370 nan 0.000 0.432 298 A N -0.247 122.563 122.820 -0.017 0.000 1.972 298 A HA -0.179 4.140 4.320 -0.001 0.000 0.219 298 A C 1.762 179.317 177.584 -0.049 0.000 1.169 298 A CA 1.782 53.791 52.037 -0.047 0.000 0.635 298 A CB -0.784 18.188 19.000 -0.047 0.000 0.810 298 A HN 0.596 nan 8.150 nan 0.000 0.446 299 E N 0.087 120.271 120.200 -0.028 0.000 2.051 299 E HA -0.236 4.113 4.350 -0.001 0.000 0.192 299 E C 1.994 178.580 176.600 -0.023 0.000 0.991 299 E CA 1.602 57.987 56.400 -0.024 0.000 0.799 299 E CB -0.263 29.430 29.700 -0.011 0.000 0.748 299 E HN 0.790 nan 8.360 nan 0.000 0.449 300 E N -0.080 120.114 120.200 -0.011 0.000 2.085 300 E HA -0.180 4.169 4.350 -0.001 0.000 0.194 300 E C 1.935 178.523 176.600 -0.019 0.000 0.994 300 E CA 1.129 57.529 56.400 0.000 0.000 0.801 300 E CB -0.136 29.579 29.700 0.026 0.000 0.743 300 E HN 0.254 nan 8.360 nan 0.000 0.453 301 A N 1.259 124.053 122.820 -0.043 0.000 1.978 301 A HA -0.211 4.109 4.320 -0.001 0.000 0.220 301 A C 2.023 179.548 177.584 -0.099 0.000 1.170 301 A CA 1.536 53.521 52.037 -0.086 0.000 0.636 301 A CB -0.354 18.560 19.000 -0.143 0.000 0.810 301 A HN 0.147 nan 8.150 nan 0.000 0.448 302 K N -0.676 119.675 120.400 -0.081 0.000 2.097 302 K HA -0.102 4.217 4.320 -0.001 0.000 0.205 302 K C 2.310 178.878 176.600 -0.054 0.000 1.050 302 K CA 1.316 57.561 56.287 -0.071 0.000 0.938 302 K CB -0.170 32.297 32.500 -0.055 0.000 0.718 302 K HN 0.450 nan 8.250 nan 0.000 0.442 303 R N 0.431 120.905 120.500 -0.044 0.000 2.057 303 R HA -0.053 4.287 4.340 -0.001 0.000 0.229 303 R C 2.407 178.676 176.300 -0.051 0.000 1.136 303 R CA 0.970 57.046 56.100 -0.040 0.000 0.952 303 R CB -0.505 29.776 30.300 -0.031 0.000 0.848 303 R HN -0.044 nan 8.270 nan 0.000 0.430 304 V N 1.593 121.480 119.914 -0.045 0.000 2.287 304 V HA -0.293 3.827 4.120 -0.001 0.000 0.248 304 V C 2.366 178.401 176.094 -0.097 0.000 1.053 304 V CA 2.053 64.317 62.300 -0.059 0.000 1.027 304 V CB -0.558 31.218 31.823 -0.079 0.000 0.646 304 V HN 0.423 nan 8.190 nan 0.000 0.447 305 E N 0.669 120.815 120.200 -0.090 0.000 2.097 305 E HA -0.276 4.073 4.350 -0.001 0.000 0.196 305 E C 2.348 178.932 176.600 -0.027 0.000 1.000 305 E CA 1.947 58.305 56.400 -0.069 0.000 0.804 305 E CB -0.150 29.504 29.700 -0.078 0.000 0.740 305 E HN 0.780 nan 8.360 nan 0.000 0.454 306 S N 0.259 115.948 115.700 -0.020 0.000 2.383 306 S HA -0.190 4.279 4.470 -0.001 0.000 0.229 306 S C 1.887 176.513 174.600 0.043 0.000 1.030 306 S CA 0.971 59.174 58.200 0.005 0.000 1.002 306 S CB -0.209 62.993 63.200 0.003 0.000 0.829 306 S HN 0.249 nan 8.310 nan 0.000 0.467 307 Q N 0.883 120.719 119.800 0.059 0.000 2.245 307 Q HA 0.258 4.597 4.340 -0.001 0.000 0.201 307 Q C 2.288 178.439 176.000 0.252 0.000 0.955 307 Q CA 0.576 56.481 55.803 0.170 0.000 0.870 307 Q CB -0.452 28.325 28.738 0.064 0.000 0.945 307 Q HN 0.568 nan 8.270 nan 0.000 0.461 308 L N 0.364 121.673 121.223 0.145 0.000 2.109 308 L HA -0.169 4.171 4.340 -0.001 0.000 0.207 308 L C 2.277 179.193 176.870 0.076 0.000 1.086 308 L CA 1.088 55.996 54.840 0.113 0.000 0.760 308 L CB -0.217 41.850 42.059 0.013 0.000 0.910 308 L HN 0.126 nan 8.230 nan 0.000 0.437 309 K N 0.372 120.799 120.400 0.046 0.000 2.032 309 K HA -0.167 4.153 4.320 -0.001 0.000 0.209 309 K C 1.975 178.579 176.600 0.007 0.000 1.048 309 K CA 1.450 57.745 56.287 0.013 0.000 0.927 309 K CB -0.215 32.287 32.500 0.004 0.000 0.712 309 K HN 0.192 nan 8.250 nan 0.000 0.441 310 I N 0.634 121.233 120.570 0.048 0.000 2.454 310 I HA -0.252 3.917 4.170 -0.001 0.000 0.254 310 I C 1.780 177.921 176.117 0.041 0.000 1.156 310 I CA 0.582 61.912 61.300 0.049 0.000 1.433 310 I CB -0.038 38.020 38.000 0.098 0.000 1.082 310 I HN 0.137 nan 8.210 nan 0.000 0.432 311 L N 0.016 121.283 121.223 0.073 0.000 2.127 311 L HA -0.017 4.323 4.340 -0.001 0.000 0.203 311 L C 2.266 179.100 176.870 -0.059 0.000 1.080 311 L CA 1.608 56.478 54.840 0.050 0.000 0.768 311 L CB -0.598 41.552 42.059 0.152 0.000 0.924 311 L HN 0.117 nan 8.230 nan 0.000 0.444 312 I N -0.647 119.857 120.570 -0.110 0.000 2.142 312 I HA -0.319 3.851 4.170 -0.001 0.000 0.240 312 I C 2.695 178.557 176.117 -0.426 0.000 1.078 312 I CA 1.101 62.209 61.300 -0.321 0.000 1.343 312 I CB -0.249 37.596 38.000 -0.259 0.000 1.046 312 I HN 0.217 nan 8.210 nan 0.000 0.405 313 R N 0.945 121.298 120.500 -0.245 0.000 2.119 313 R HA -0.192 4.148 4.340 -0.001 0.000 0.246 313 R C -0.863 175.325 176.300 -0.187 0.000 1.146 313 R CA 1.955 57.931 56.100 -0.207 0.000 0.962 313 R CB -1.048 29.179 30.300 -0.123 0.000 0.863 313 R HN 0.278 nan 8.270 nan 0.000 0.442 314 P HA 0.052 nan 4.420 nan 0.000 0.255 314 P C 0.467 177.706 177.300 -0.102 0.000 1.248 314 P CA 0.630 63.670 63.100 -0.101 0.000 0.807 314 P CB 0.261 31.922 31.700 -0.065 0.000 1.150 315 L N -1.426 119.691 121.223 -0.176 0.000 2.189 315 L HA 0.035 4.375 4.340 -0.001 0.000 0.199 315 L C 1.312 178.176 176.870 -0.011 0.000 1.074 315 L CA 1.138 55.918 54.840 -0.101 0.000 0.783 315 L CB -0.245 41.742 42.059 -0.121 0.000 0.955 315 L HN 0.045 nan 8.230 nan 0.000 0.460 316 Y N -5.190 115.102 120.300 -0.012 0.000 2.954 316 Y HA 0.460 5.010 4.550 0.000 0.000 0.267 316 Y C 1.015 176.901 175.900 -0.023 0.000 1.093 316 Y CA -0.283 57.810 58.100 -0.012 0.000 1.257 316 Y CB -0.238 38.219 38.460 -0.004 0.000 1.317 316 Y HN -0.022 nan 8.280 nan 0.000 0.587 317 S N 0.787 116.373 115.700 -0.189 0.000 1.832 317 S HA -0.363 4.107 4.470 -0.001 0.000 0.231 317 S C 0.030 174.573 174.600 -0.095 0.000 0.901 317 S CA 2.333 60.443 58.200 -0.149 0.000 1.687 317 S CB -1.425 61.700 63.200 -0.125 0.000 1.858 317 S HN 0.975 nan 8.310 nan 0.000 0.523 318 N N 0.767 119.548 118.700 0.134 0.000 2.710 318 N HA 0.667 5.406 4.740 -0.001 0.000 0.257 318 N C -3.608 172.109 175.510 0.345 0.000 1.327 318 N CA -1.533 51.638 53.050 0.203 0.000 0.861 318 N CB 1.260 39.787 38.487 0.066 0.000 1.532 318 N HN 0.248 nan 8.380 nan 0.000 0.499 319 P HA 0.505 nan 4.420 nan 0.000 0.287 319 P C -2.791 174.512 177.300 0.004 0.000 1.279 319 P CA -1.585 61.553 63.100 0.063 0.000 0.867 319 P CB 0.548 32.279 31.700 0.050 0.000 1.127 320 P HA 0.146 nan 4.420 nan 0.000 0.268 320 P C 0.854 178.094 177.300 -0.099 0.000 1.205 320 P CA -0.059 62.998 63.100 -0.070 0.000 0.771 320 P CB 1.075 32.716 31.700 -0.098 0.000 0.858 321 L N 2.051 123.228 121.223 -0.078 0.000 2.095 321 L HA -0.126 4.213 4.340 -0.001 0.000 0.204 321 L C 2.378 179.166 176.870 -0.138 0.000 1.080 321 L CA 1.331 56.115 54.840 -0.095 0.000 0.759 321 L CB -0.535 41.487 42.059 -0.060 0.000 0.914 321 L HN 0.405 nan 8.230 nan 0.000 0.439 322 N N 0.309 118.937 118.700 -0.120 0.000 2.069 322 N HA -0.161 4.578 4.740 -0.001 0.000 0.191 322 N C 1.731 177.140 175.510 -0.168 0.000 1.031 322 N CA 1.882 54.859 53.050 -0.121 0.000 0.852 322 N CB -0.342 38.090 38.487 -0.092 0.000 1.018 322 N HN 0.246 nan 8.380 nan 0.000 0.423 323 G N -0.414 108.265 108.800 -0.202 0.000 2.402 323 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.216 323 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.216 323 G C 1.606 176.264 174.900 -0.403 0.000 1.162 323 G CA 0.991 45.933 45.100 -0.264 0.000 0.777 323 G HN 0.516 nan 8.290 nan 0.000 0.539 324 A N 0.901 123.422 122.820 -0.498 0.000 1.908 324 A HA -0.053 4.266 4.320 -0.001 0.000 0.218 324 A C 2.407 179.762 177.584 -0.382 0.000 1.181 324 A CA 1.786 53.393 52.037 -0.716 0.000 0.627 324 A CB -0.450 18.138 19.000 -0.687 0.000 0.818 324 A HN 0.350 nan 8.150 nan 0.000 0.445 325 R N -0.710 119.643 120.500 -0.245 0.000 2.096 325 R HA -0.133 4.206 4.340 -0.001 0.000 0.240 325 R C 2.029 178.231 176.300 -0.163 0.000 1.139 325 R CA 1.835 57.842 56.100 -0.155 0.000 0.952 325 R CB -0.565 29.665 30.300 -0.116 0.000 0.854 325 R HN 0.596 nan 8.270 nan 0.000 0.436 326 I N 0.291 120.745 120.570 -0.194 0.000 2.151 326 I HA -0.331 3.839 4.170 -0.001 0.000 0.243 326 I C 2.519 178.494 176.117 -0.236 0.000 1.080 326 I CA 1.621 62.805 61.300 -0.193 0.000 1.339 326 I CB -0.303 37.579 38.000 -0.195 0.000 1.039 326 I HN 0.257 nan 8.210 nan 0.000 0.409 327 A N 0.181 122.818 122.820 -0.305 0.000 1.929 327 A HA -0.005 4.314 4.320 -0.001 0.000 0.216 327 A C 2.490 179.951 177.584 -0.206 0.000 1.176 327 A CA 1.408 53.231 52.037 -0.357 0.000 0.628 327 A CB -0.758 17.930 19.000 -0.520 0.000 0.816 327 A HN 0.410 nan 8.150 nan 0.000 0.444 328 A N -0.532 122.235 122.820 -0.088 0.000 1.930 328 A HA -0.048 4.272 4.320 -0.001 0.000 0.217 328 A C 2.278 179.823 177.584 -0.066 0.000 1.175 328 A CA 2.204 54.226 52.037 -0.024 0.000 0.627 328 A CB -1.169 17.850 19.000 0.031 0.000 0.815 328 A HN 0.447 nan 8.150 nan 0.000 0.443 329 T N 0.638 115.139 114.554 -0.088 0.000 2.674 329 T HA -0.114 4.236 4.350 -0.001 0.000 0.265 329 T C 1.832 176.484 174.700 -0.079 0.000 1.039 329 T CA 1.498 63.554 62.100 -0.073 0.000 1.150 329 T CB -0.482 68.342 68.868 -0.073 0.000 0.864 329 T HN 0.426 nan 8.240 nan 0.000 0.427 330 I N 1.065 121.555 120.570 -0.133 0.000 2.091 330 I HA -0.180 3.990 4.170 -0.001 0.000 0.239 330 I C 2.381 178.441 176.117 -0.096 0.000 1.061 330 I CA 1.553 62.768 61.300 -0.143 0.000 1.317 330 I CB -0.573 37.246 38.000 -0.302 0.000 1.031 330 I HN 0.170 nan 8.210 nan 0.000 0.401 331 L N 0.280 121.413 121.223 -0.149 0.000 2.191 331 L HA -0.159 4.181 4.340 -0.001 0.000 0.212 331 L C 2.476 179.339 176.870 -0.012 0.000 1.103 331 L CA 1.693 56.493 54.840 -0.067 0.000 0.769 331 L CB -0.862 41.137 42.059 -0.099 0.000 0.908 331 L HN 0.468 nan 8.230 nan 0.000 0.438 332 T N -5.356 109.184 114.554 -0.023 0.000 3.044 332 T HA 0.030 4.379 4.350 -0.001 0.000 0.250 332 T C 0.943 175.645 174.700 0.004 0.000 1.081 332 T CA 0.044 62.139 62.100 -0.007 0.000 1.040 332 T CB 0.127 68.988 68.868 -0.012 0.000 0.962 332 T HN 0.124 nan 8.240 nan 0.000 0.506 333 S N 2.348 118.052 115.700 0.007 0.000 2.422 333 S HA 0.388 4.857 4.470 -0.001 0.000 0.298 333 S C -1.944 172.677 174.600 0.035 0.000 1.118 333 S CA -1.556 56.653 58.200 0.016 0.000 1.083 333 S CB 1.284 64.490 63.200 0.010 0.000 0.971 333 S HN -0.056 nan 8.310 nan 0.000 0.478 334 P HA -0.049 nan 4.420 nan 0.000 0.219 334 P C 0.534 177.863 177.300 0.048 0.000 1.146 334 P CA 0.888 64.013 63.100 0.042 0.000 0.808 334 P CB 0.171 31.889 31.700 0.029 0.000 0.779 335 D N -0.856 119.568 120.400 0.040 0.000 2.077 335 D HA -0.069 4.571 4.640 -0.001 0.000 0.196 335 D C 1.982 178.320 176.300 0.063 0.000 0.986 335 D CA 1.063 55.089 54.000 0.044 0.000 0.829 335 D CB -0.864 39.955 40.800 0.032 0.000 0.983 335 D HN 0.114 nan 8.370 nan 0.000 0.453 336 L N 0.434 121.695 121.223 0.063 0.000 2.131 336 L HA -0.123 4.216 4.340 -0.001 0.000 0.210 336 L C 2.563 179.533 176.870 0.167 0.000 1.092 336 L CA 0.899 55.792 54.840 0.089 0.000 0.759 336 L CB -0.268 41.822 42.059 0.052 0.000 0.903 336 L HN -0.016 nan 8.230 nan 0.000 0.435 337 R N 0.749 121.349 120.500 0.166 0.000 2.070 337 R HA -0.214 4.125 4.340 -0.001 0.000 0.233 337 R C 2.420 178.876 176.300 0.260 0.000 1.137 337 R CA 1.760 58.029 56.100 0.281 0.000 0.945 337 R CB -0.146 30.273 30.300 0.200 0.000 0.845 337 R HN 0.199 nan 8.270 nan 0.000 0.430 338 K N 0.516 120.998 120.400 0.138 0.000 2.032 338 K HA -0.273 4.046 4.320 -0.001 0.000 0.209 338 K C 2.188 178.831 176.600 0.071 0.000 1.048 338 K CA 2.057 58.389 56.287 0.076 0.000 0.927 338 K CB -0.179 32.350 32.500 0.047 0.000 0.712 338 K HN 0.315 nan 8.250 nan 0.000 0.441 339 Q N -0.316 119.545 119.800 0.102 0.000 2.061 339 Q HA -0.220 4.119 4.340 -0.001 0.000 0.204 339 Q C 1.973 178.051 176.000 0.130 0.000 0.984 339 Q CA 2.012 57.873 55.803 0.097 0.000 0.846 339 Q CB -0.389 28.407 28.738 0.096 0.000 0.902 339 Q HN 0.573 nan 8.270 nan 0.000 0.421 340 W N 1.232 122.543 121.300 0.018 0.000 2.338 340 W HA -0.179 4.481 4.660 -0.000 0.000 0.304 340 W C 1.540 178.077 176.519 0.029 0.000 1.212 340 W CA 1.399 58.758 57.345 0.023 0.000 1.264 340 W CB -0.498 28.976 29.460 0.024 0.000 1.142 340 W HN 0.159 nan 8.180 nan 0.000 0.512 341 L N 0.555 121.553 121.223 -0.375 0.000 2.079 341 L HA -0.282 4.058 4.340 -0.001 0.000 0.210 341 L C 2.674 179.348 176.870 -0.326 0.000 1.081 341 L CA 1.881 56.375 54.840 -0.578 0.000 0.752 341 L CB -0.990 40.864 42.059 -0.341 0.000 0.896 341 L HN 0.117 nan 8.230 nan 0.000 0.433 342 Q N -0.113 119.594 119.800 -0.154 0.000 2.050 342 Q HA -0.226 4.113 4.340 -0.001 0.000 0.202 342 Q C 2.096 178.045 176.000 -0.085 0.000 0.980 342 Q CA 1.821 57.567 55.803 -0.095 0.000 0.840 342 Q CB -0.090 28.628 28.738 -0.033 0.000 0.898 342 Q HN 0.568 nan 8.270 nan 0.000 0.424 343 E N 0.037 120.209 120.200 -0.047 0.000 2.106 343 E HA -0.147 4.203 4.350 -0.001 0.000 0.192 343 E C 2.109 178.688 176.600 -0.037 0.000 0.984 343 E CA 1.177 57.597 56.400 0.032 0.000 0.806 343 E CB -0.125 29.667 29.700 0.154 0.000 0.750 343 E HN 0.119 nan 8.360 nan 0.000 0.458 344 V N 1.964 121.765 119.914 -0.189 0.000 2.237 344 V HA -0.295 3.824 4.120 -0.001 0.000 0.245 344 V C 2.512 178.473 176.094 -0.221 0.000 1.046 344 V CA 2.147 64.303 62.300 -0.240 0.000 1.007 344 V CB -0.431 31.077 31.823 -0.525 0.000 0.638 344 V HN 0.203 nan 8.190 nan 0.000 0.445 345 K N -0.124 120.144 120.400 -0.219 0.000 2.127 345 K HA -0.211 4.109 4.320 -0.001 0.000 0.208 345 K C 2.005 178.516 176.600 -0.147 0.000 1.047 345 K CA 1.823 58.008 56.287 -0.169 0.000 0.927 345 K CB -0.629 31.789 32.500 -0.137 0.000 0.716 345 K HN 0.542 nan 8.250 nan 0.000 0.450 346 G N 0.530 109.256 108.800 -0.122 0.000 2.408 346 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.217 346 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.217 346 G C 1.398 176.206 174.900 -0.152 0.000 1.150 346 G CA 0.726 45.764 45.100 -0.104 0.000 0.776 346 G HN 0.221 nan 8.290 nan 0.000 0.542 347 M N 0.637 120.092 119.600 -0.243 0.000 2.099 347 M HA 0.054 4.534 4.480 -0.001 0.000 0.262 347 M C 3.099 179.145 176.300 -0.423 0.000 1.067 347 M CA 1.308 56.347 55.300 -0.435 0.000 1.124 347 M CB -0.220 31.951 32.600 -0.715 0.000 1.353 347 M HN 0.304 nan 8.290 nan 0.000 0.410 348 A N 0.708 123.262 122.820 -0.443 0.000 1.892 348 A HA -0.230 4.090 4.320 -0.001 0.000 0.218 348 A C 1.687 179.140 177.584 -0.219 0.000 1.188 348 A CA 2.271 54.081 52.037 -0.378 0.000 0.631 348 A CB -0.936 17.897 19.000 -0.278 0.000 0.822 348 A HN 0.440 nan 8.150 nan 0.000 0.447 349 D N -1.004 119.300 120.400 -0.161 0.000 2.144 349 D HA -0.152 4.488 4.640 -0.001 0.000 0.199 349 D C 2.043 178.292 176.300 -0.085 0.000 0.984 349 D CA 1.341 55.278 54.000 -0.104 0.000 0.834 349 D CB -0.366 40.384 40.800 -0.085 0.000 0.955 349 D HN 0.570 nan 8.370 nan 0.000 0.465 350 R N 0.360 120.813 120.500 -0.077 0.000 2.075 350 R HA -0.099 4.241 4.340 -0.001 0.000 0.232 350 R C 2.104 178.380 176.300 -0.040 0.000 1.126 350 R CA 0.756 56.834 56.100 -0.037 0.000 0.963 350 R CB -0.043 30.268 30.300 0.019 0.000 0.858 350 R HN 0.057 nan 8.270 nan 0.000 0.435 351 I N 1.215 121.749 120.570 -0.061 0.000 2.202 351 I HA -0.259 3.911 4.170 -0.001 0.000 0.242 351 I C 2.401 178.478 176.117 -0.067 0.000 1.091 351 I CA 1.256 62.516 61.300 -0.067 0.000 1.368 351 I CB -0.933 36.989 38.000 -0.129 0.000 1.058 351 I HN 0.253 nan 8.210 nan 0.000 0.410 352 I N 0.266 120.788 120.570 -0.080 0.000 2.113 352 I HA -0.391 3.778 4.170 -0.001 0.000 0.242 352 I C 2.809 178.897 176.117 -0.048 0.000 1.064 352 I CA 1.807 63.071 61.300 -0.060 0.000 1.320 352 I CB -0.527 37.434 38.000 -0.065 0.000 1.028 352 I HN 0.219 nan 8.210 nan 0.000 0.406 353 S N 0.402 116.072 115.700 -0.049 0.000 2.370 353 S HA -0.195 4.275 4.470 -0.001 0.000 0.226 353 S C 2.093 176.669 174.600 -0.041 0.000 1.033 353 S CA 1.372 59.547 58.200 -0.042 0.000 1.011 353 S CB -0.047 63.129 63.200 -0.040 0.000 0.852 353 S HN 0.236 nan 8.310 nan 0.000 0.457 354 M N 0.905 120.479 119.600 -0.042 0.000 2.159 354 M HA -0.000 4.479 4.480 -0.001 0.000 0.263 354 M C 2.147 178.420 176.300 -0.046 0.000 1.063 354 M CA 1.344 56.619 55.300 -0.042 0.000 1.110 354 M CB -1.353 31.222 32.600 -0.041 0.000 1.374 354 M HN 0.329 nan 8.290 nan 0.000 0.411 355 R N -0.039 120.437 120.500 -0.041 0.000 2.070 355 R HA -0.127 4.212 4.340 -0.001 0.000 0.233 355 R C 2.395 178.665 176.300 -0.049 0.000 1.137 355 R CA 2.197 58.274 56.100 -0.040 0.000 0.945 355 R CB -0.966 29.321 30.300 -0.022 0.000 0.845 355 R HN 0.573 nan 8.270 nan 0.000 0.430 356 T N -0.873 113.656 114.554 -0.041 0.000 2.720 356 T HA -0.202 4.147 4.350 -0.001 0.000 0.268 356 T C 1.868 176.539 174.700 -0.048 0.000 1.037 356 T CA 1.293 63.369 62.100 -0.039 0.000 1.144 356 T CB -0.182 68.666 68.868 -0.032 0.000 0.864 356 T HN 0.292 nan 8.240 nan 0.000 0.444 357 Q N 0.172 119.942 119.800 -0.050 0.000 2.230 357 Q HA 0.167 4.507 4.340 -0.001 0.000 0.202 357 Q C 2.254 178.207 176.000 -0.078 0.000 0.963 357 Q CA 0.911 56.681 55.803 -0.054 0.000 0.866 357 Q CB -0.240 28.472 28.738 -0.043 0.000 0.931 357 Q HN 0.467 nan 8.270 nan 0.000 0.452 358 L N -0.250 120.916 121.223 -0.096 0.000 2.240 358 L HA -0.063 4.277 4.340 -0.001 0.000 0.211 358 L C 1.822 178.567 176.870 -0.208 0.000 1.106 358 L CA 1.055 55.806 54.840 -0.147 0.000 0.793 358 L CB -0.020 41.948 42.059 -0.152 0.000 0.927 358 L HN -0.068 nan 8.230 nan 0.000 0.446 359 V N -1.362 118.459 119.914 -0.155 0.000 2.323 359 V HA -0.195 3.925 4.120 -0.001 0.000 0.244 359 V C 2.627 178.664 176.094 -0.095 0.000 1.041 359 V CA 1.625 63.845 62.300 -0.133 0.000 1.025 359 V CB -0.638 31.154 31.823 -0.050 0.000 0.656 359 V HN 0.511 nan 8.190 nan 0.000 0.451 360 S N 0.355 116.013 115.700 -0.070 0.000 2.368 360 S HA -0.305 4.165 4.470 -0.001 0.000 0.226 360 S C 1.827 176.385 174.600 -0.069 0.000 1.044 360 S CA 2.501 60.669 58.200 -0.054 0.000 1.062 360 S CB -0.628 62.545 63.200 -0.046 0.000 0.931 360 S HN 0.727 nan 8.310 nan 0.000 0.440 361 N N 0.167 118.814 118.700 -0.089 0.000 2.309 361 N HA 0.036 4.776 4.740 -0.001 0.000 0.182 361 N C 1.677 177.115 175.510 -0.120 0.000 1.018 361 N CA 0.678 53.675 53.050 -0.088 0.000 0.876 361 N CB -0.108 38.332 38.487 -0.078 0.000 0.972 361 N HN 0.322 nan 8.380 nan 0.000 0.434 362 L N 0.903 122.017 121.223 -0.182 0.000 2.156 362 L HA -0.089 4.251 4.340 -0.001 0.000 0.208 362 L C 2.416 179.201 176.870 -0.141 0.000 1.095 362 L CA 0.944 55.645 54.840 -0.231 0.000 0.770 362 L CB -0.062 41.714 42.059 -0.473 0.000 0.914 362 L HN 0.068 nan 8.230 nan 0.000 0.439 363 K N 0.241 120.594 120.400 -0.078 0.000 2.062 363 K HA -0.164 4.155 4.320 -0.001 0.000 0.205 363 K C 2.010 178.570 176.600 -0.068 0.000 1.051 363 K CA 1.219 57.480 56.287 -0.042 0.000 0.941 363 K CB 0.171 32.664 32.500 -0.012 0.000 0.719 363 K HN 0.034 nan 8.250 nan 0.000 0.440 364 K N 0.335 120.696 120.400 -0.066 0.000 2.365 364 K HA -0.026 4.293 4.320 -0.001 0.000 0.199 364 K C 1.073 177.638 176.600 -0.059 0.000 1.045 364 K CA 0.715 56.971 56.287 -0.051 0.000 0.962 364 K CB 0.330 32.808 32.500 -0.037 0.000 0.759 364 K HN 0.107 nan 8.250 nan 0.000 0.469 365 E N -0.003 120.136 120.200 -0.101 0.000 2.476 365 E HA 0.021 4.370 4.350 -0.001 0.000 0.191 365 E C 0.292 176.743 176.600 -0.248 0.000 1.064 365 E CA 0.168 56.502 56.400 -0.110 0.000 0.866 365 E CB 0.437 30.069 29.700 -0.112 0.000 0.952 365 E HN 0.394 nan 8.360 nan 0.000 0.492 366 G N 2.490 111.174 108.800 -0.194 0.000 2.412 366 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.297 366 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.297 366 G C 0.283 174.994 174.900 -0.314 0.000 0.965 366 G CA 0.883 45.867 45.100 -0.193 0.000 1.134 366 G HN 0.206 nan 8.290 nan 0.000 0.511 367 S N -0.867 114.598 115.700 -0.391 0.000 2.585 367 S HA 0.512 4.981 4.470 -0.001 0.000 0.273 367 S C 1.702 176.254 174.600 -0.081 0.000 1.339 367 S CA 0.311 58.383 58.200 -0.213 0.000 1.028 367 S CB 0.707 63.945 63.200 0.063 0.000 0.906 367 S HN 1.063 nan 8.310 nan 0.000 0.528 368 S N 1.684 117.281 115.700 -0.171 0.000 2.502 368 S HA 0.152 4.622 4.470 -0.001 0.000 0.215 368 S C 0.169 174.678 174.600 -0.151 0.000 1.009 368 S CA -0.140 57.967 58.200 -0.155 0.000 0.908 368 S CB -0.338 62.768 63.200 -0.157 0.000 0.801 368 S HN 0.809 nan 8.310 nan 0.000 0.505 369 H N 2.626 121.679 119.070 -0.028 0.000 2.732 369 H HA 0.294 4.850 4.556 -0.001 0.000 0.351 369 H C 0.360 175.463 175.328 -0.375 0.000 1.090 369 H CA -0.469 55.414 56.048 -0.274 0.000 1.431 369 H CB 0.295 29.736 29.762 -0.534 0.000 1.447 369 H HN 0.120 nan 8.280 nan 0.000 0.582 370 N N 2.398 120.986 118.700 -0.186 0.000 2.492 370 N HA -0.079 4.660 4.740 -0.001 0.000 0.262 370 N C -0.994 174.366 175.510 -0.250 0.000 1.202 370 N CA -0.011 52.965 53.050 -0.124 0.000 0.926 370 N CB 0.386 38.850 38.487 -0.039 0.000 1.078 370 N HN 0.623 nan 8.380 nan 0.000 0.454 371 W N 1.872 123.198 121.300 0.043 0.000 1.641 371 W HA 0.294 4.954 4.660 -0.001 0.000 0.294 371 W C 1.276 177.664 176.519 -0.218 0.000 0.886 371 W CA -0.467 56.779 57.345 -0.164 0.000 2.194 371 W CB 0.297 29.655 29.460 -0.170 0.000 1.139 371 W HN 0.463 nan 8.180 nan 0.000 0.502 372 Q N 0.745 120.611 119.800 0.110 0.000 2.234 372 Q HA -0.203 4.137 4.340 -0.001 0.000 0.206 372 Q C 2.303 178.352 176.000 0.082 0.000 0.980 372 Q CA 1.740 57.592 55.803 0.082 0.000 0.869 372 Q CB -0.248 28.543 28.738 0.088 0.000 0.912 372 Q HN 0.660 nan 8.270 nan 0.000 0.436 373 H N -0.720 118.433 119.070 0.139 0.000 2.421 373 H HA -0.071 4.485 4.556 -0.001 0.000 0.298 373 H C 1.916 177.346 175.328 0.170 0.000 1.087 373 H CA 1.003 57.138 56.048 0.145 0.000 1.330 373 H CB -0.547 29.309 29.762 0.157 0.000 1.388 373 H HN 0.238 nan 8.280 nan 0.000 0.526 374 I N 2.059 122.534 120.570 -0.159 0.000 2.361 374 I HA -0.175 3.995 4.170 -0.001 0.000 0.251 374 I C 2.079 178.210 176.117 0.023 0.000 1.133 374 I CA 1.788 63.072 61.300 -0.026 0.000 1.413 374 I CB -0.441 37.504 38.000 -0.092 0.000 1.073 374 I HN 0.392 nan 8.210 nan 0.000 0.424 375 T N -3.848 110.716 114.554 0.017 0.000 3.044 375 T HA 0.072 4.421 4.350 -0.001 0.000 0.250 375 T C 1.272 175.995 174.700 0.039 0.000 1.081 375 T CA 0.069 62.181 62.100 0.020 0.000 1.040 375 T CB 0.038 68.910 68.868 0.006 0.000 0.962 375 T HN 0.111 nan 8.240 nan 0.000 0.506 376 D N 1.601 122.041 120.400 0.067 0.000 2.213 376 D HA 0.070 4.710 4.640 -0.001 0.000 0.205 376 D C 1.091 177.442 176.300 0.086 0.000 0.961 376 D CA 0.552 54.596 54.000 0.072 0.000 0.853 376 D CB -0.119 40.736 40.800 0.092 0.000 0.967 376 D HN 0.540 nan 8.370 nan 0.000 0.496 377 Q N 0.019 119.891 119.800 0.121 0.000 2.524 377 Q HA 0.332 4.671 4.340 -0.001 0.000 0.246 377 Q C -0.159 175.893 176.000 0.087 0.000 1.063 377 Q CA 0.490 56.372 55.803 0.131 0.000 0.945 377 Q CB 1.220 30.069 28.738 0.185 0.000 1.292 377 Q HN 0.125 nan 8.270 nan 0.000 0.518 378 I N 0.115 120.738 120.570 0.089 0.000 2.619 378 I HA 0.535 4.705 4.170 -0.001 0.000 0.292 378 I C 0.226 176.365 176.117 0.037 0.000 1.100 378 I CA -0.289 61.047 61.300 0.059 0.000 1.043 378 I CB 2.122 40.171 38.000 0.082 0.000 1.239 378 I HN 0.846 nan 8.210 nan 0.000 0.420 379 G N 4.957 113.753 108.800 -0.008 0.000 2.615 379 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.218 379 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.218 379 G C 0.165 175.022 174.900 -0.072 0.000 1.339 379 G CA 0.111 45.181 45.100 -0.050 0.000 0.884 379 G HN 0.887 nan 8.290 nan 0.000 0.559 380 M N -1.282 118.231 119.600 -0.144 0.000 2.428 380 M HA 0.631 5.110 4.480 -0.001 0.000 0.239 380 M C -0.117 175.896 176.300 -0.479 0.000 1.121 380 M CA 0.219 55.370 55.300 -0.247 0.000 1.019 380 M CB 0.243 32.759 32.600 -0.141 0.000 1.485 380 M HN 0.233 nan 8.290 nan 0.000 0.484 381 F N 0.701 120.672 119.950 0.034 0.000 2.470 381 F HA 0.611 5.138 4.527 -0.001 0.000 0.329 381 F C -0.181 175.685 175.800 0.110 0.000 1.072 381 F CA -1.404 56.642 58.000 0.077 0.000 0.989 381 F CB 1.685 40.723 39.000 0.064 0.000 1.193 381 F HN 0.091 nan 8.300 nan 0.000 0.481 382 C N 3.815 123.351 119.300 0.393 0.000 2.599 382 C HA 0.587 5.047 4.460 -0.001 0.000 0.354 382 C C -1.363 173.899 174.990 0.454 0.000 1.092 382 C CA -0.920 58.303 59.018 0.342 0.000 1.280 382 C CB -0.740 27.142 27.740 0.237 0.000 1.829 382 C HN 0.599 nan 8.230 nan 0.000 0.454 383 F N 5.001 125.059 119.950 0.181 0.000 2.424 383 F HA 0.346 4.872 4.527 -0.001 0.000 0.356 383 F C 1.852 177.808 175.800 0.259 0.000 1.110 383 F CA 0.232 58.308 58.000 0.126 0.000 1.161 383 F CB 1.814 40.774 39.000 -0.066 0.000 1.115 383 F HN 0.797 nan 8.300 nan 0.000 0.507 384 T N -0.430 114.292 114.554 0.280 0.000 3.009 384 T HA 0.283 4.632 4.350 -0.001 0.000 0.258 384 T C 1.628 176.567 174.700 0.399 0.000 1.063 384 T CA 0.791 63.127 62.100 0.393 0.000 1.139 384 T CB -0.038 68.990 68.868 0.268 0.000 0.890 384 T HN 0.912 nan 8.240 nan 0.000 0.471 385 G N 1.297 110.181 108.800 0.141 0.000 2.307 385 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.210 385 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.210 385 G C 0.032 174.933 174.900 0.001 0.000 1.005 385 G CA -0.211 44.906 45.100 0.028 0.000 0.634 385 G HN 0.601 nan 8.290 nan 0.000 0.496 386 L N 2.490 123.744 121.223 0.051 0.000 2.578 386 L HA 0.152 4.492 4.340 -0.001 0.000 0.279 386 L C 1.029 177.872 176.870 -0.045 0.000 1.227 386 L CA 0.240 55.089 54.840 0.015 0.000 0.900 386 L CB 0.269 42.347 42.059 0.033 0.000 1.144 386 L HN 0.169 nan 8.230 nan 0.000 0.496 387 K N 4.670 125.049 120.400 -0.036 0.000 2.168 387 K HA 0.168 4.487 4.320 -0.001 0.000 0.258 387 K C -1.602 174.977 176.600 -0.034 0.000 1.010 387 K CA -1.628 54.636 56.287 -0.040 0.000 0.929 387 K CB 0.321 32.803 32.500 -0.030 0.000 0.998 387 K HN 0.245 nan 8.250 nan 0.000 0.479 388 P HA -0.134 nan 4.420 nan 0.000 0.221 388 P C 0.429 177.722 177.300 -0.011 0.000 1.145 388 P CA 1.313 64.400 63.100 -0.023 0.000 0.795 388 P CB 0.298 31.987 31.700 -0.017 0.000 0.775 389 E N -0.656 119.539 120.200 -0.009 0.000 2.158 389 E HA -0.101 4.249 4.350 -0.001 0.000 0.191 389 E C 2.032 178.633 176.600 0.002 0.000 0.982 389 E CA 0.939 57.339 56.400 -0.001 0.000 0.823 389 E CB -0.656 29.044 29.700 0.000 0.000 0.766 389 E HN 0.390 nan 8.360 nan 0.000 0.468 390 Q N -0.075 119.724 119.800 -0.002 0.000 2.245 390 Q HA 0.004 4.344 4.340 -0.001 0.000 0.201 390 Q C 2.046 178.042 176.000 -0.007 0.000 0.955 390 Q CA 0.688 56.491 55.803 0.001 0.000 0.870 390 Q CB 0.196 28.938 28.738 0.006 0.000 0.945 390 Q HN 0.117 nan 8.270 nan 0.000 0.461 391 V N 1.139 121.046 119.914 -0.012 0.000 2.427 391 V HA -0.258 3.861 4.120 -0.001 0.000 0.248 391 V C 1.950 178.035 176.094 -0.016 0.000 1.051 391 V CA 1.883 64.173 62.300 -0.017 0.000 1.048 391 V CB -0.318 31.494 31.823 -0.017 0.000 0.666 391 V HN 0.342 nan 8.190 nan 0.000 0.456 392 E N -0.239 119.958 120.200 -0.006 0.000 2.047 392 E HA -0.194 4.156 4.350 -0.001 0.000 0.191 392 E C 2.513 179.115 176.600 0.003 0.000 0.987 392 E CA 1.085 57.483 56.400 -0.003 0.000 0.799 392 E CB -0.101 29.603 29.700 0.005 0.000 0.752 392 E HN 0.467 nan 8.360 nan 0.000 0.449 393 R N 0.242 120.756 120.500 0.022 0.000 2.103 393 R HA -0.175 4.165 4.340 -0.001 0.000 0.242 393 R C 2.451 178.822 176.300 0.119 0.000 1.142 393 R CA 1.186 57.323 56.100 0.062 0.000 0.960 393 R CB -0.441 29.902 30.300 0.071 0.000 0.858 393 R HN 0.249 nan 8.270 nan 0.000 0.439 394 L N -0.007 121.254 121.223 0.062 0.000 2.265 394 L HA -0.163 4.177 4.340 -0.001 0.000 0.215 394 L C 2.007 178.881 176.870 0.007 0.000 1.117 394 L CA 1.136 56.006 54.840 0.049 0.000 0.782 394 L CB -0.322 41.701 42.059 -0.059 0.000 0.914 394 L HN 0.310 nan 8.230 nan 0.000 0.441 395 T N -1.260 113.246 114.554 -0.081 0.000 2.837 395 T HA -0.092 4.258 4.350 -0.001 0.000 0.248 395 T C 1.876 176.495 174.700 -0.134 0.000 1.033 395 T CA 0.658 62.604 62.100 -0.256 0.000 1.150 395 T CB 0.106 68.788 68.868 -0.311 0.000 0.865 395 T HN 0.057 nan 8.240 nan 0.000 0.425 396 K N 1.404 121.772 120.400 -0.053 0.000 1.991 396 K HA -0.081 4.239 4.320 -0.001 0.000 0.212 396 K C 2.247 178.818 176.600 -0.049 0.000 1.049 396 K CA 1.539 57.809 56.287 -0.029 0.000 0.932 396 K CB -0.086 32.406 32.500 -0.013 0.000 0.717 396 K HN 0.403 nan 8.250 nan 0.000 0.441 397 E N -1.597 118.573 120.200 -0.049 0.000 2.427 397 E HA -0.051 4.298 4.350 -0.001 0.000 0.196 397 E C 0.626 176.913 176.600 -0.522 0.000 1.028 397 E CA 0.649 56.901 56.400 -0.248 0.000 0.864 397 E CB 0.226 29.794 29.700 -0.220 0.000 0.813 397 E HN 0.248 nan 8.360 nan 0.000 0.514 398 F N -1.228 118.716 119.950 -0.009 0.000 2.925 398 F HA 0.200 4.727 4.527 -0.001 0.000 0.359 398 F C 0.567 176.438 175.800 0.117 0.000 1.038 398 F CA -0.211 57.821 58.000 0.052 0.000 1.130 398 F CB 1.003 39.967 39.000 -0.060 0.000 1.093 398 F HN -0.329 nan 8.300 nan 0.000 0.561 399 S N 0.864 116.646 115.700 0.138 0.000 3.587 399 S HA -0.139 4.331 4.470 -0.001 0.000 0.337 399 S C -0.154 174.537 174.600 0.151 0.000 1.119 399 S CA 0.324 58.580 58.200 0.094 0.000 0.976 399 S CB -1.646 61.693 63.200 0.232 0.000 0.922 399 S HN 0.043 nan 8.310 nan 0.000 0.503 400 V N 2.325 122.256 119.914 0.028 0.000 2.333 400 V HA 0.375 4.494 4.120 -0.001 0.000 0.274 400 V C -0.111 175.923 176.094 -0.100 0.000 1.028 400 V CA -0.384 61.960 62.300 0.073 0.000 0.851 400 V CB 0.404 32.246 31.823 0.032 0.000 1.000 400 V HN 0.400 nan 8.190 nan 0.000 0.456 401 Y N 6.484 126.890 120.300 0.177 0.000 2.320 401 Y HA 0.760 5.309 4.550 -0.001 0.000 0.334 401 Y C 0.367 176.317 175.900 0.083 0.000 1.055 401 Y CA -0.583 57.601 58.100 0.141 0.000 1.143 401 Y CB 1.489 40.068 38.460 0.200 0.000 1.193 401 Y HN 0.736 nan 8.280 nan 0.000 0.477 402 M N 0.038 119.747 119.600 0.182 0.000 2.605 402 M HA 0.466 4.945 4.480 -0.001 0.000 0.281 402 M C -0.964 175.391 176.300 0.092 0.000 1.166 402 M CA -1.053 54.318 55.300 0.119 0.000 0.875 402 M CB 1.566 34.213 32.600 0.080 0.000 1.732 402 M HN 0.429 nan 8.290 nan 0.000 0.504 403 T N -0.999 113.600 114.554 0.076 0.000 2.898 403 T HA 0.346 4.695 4.350 -0.001 0.000 0.301 403 T C 0.856 175.563 174.700 0.012 0.000 1.049 403 T CA -0.708 61.423 62.100 0.051 0.000 1.095 403 T CB 0.757 69.653 68.868 0.047 0.000 0.976 403 T HN 0.742 nan 8.240 nan 0.000 0.539 404 K N 1.327 121.731 120.400 0.007 0.000 2.286 404 K HA -0.142 4.178 4.320 -0.001 0.000 0.203 404 K C 1.679 178.242 176.600 -0.062 0.000 1.045 404 K CA 1.575 57.851 56.287 -0.017 0.000 0.935 404 K CB -0.550 31.949 32.500 -0.003 0.000 0.737 404 K HN 0.897 nan 8.250 nan 0.000 0.460 405 D N -0.740 119.610 120.400 -0.083 0.000 2.347 405 D HA -0.039 4.601 4.640 -0.001 0.000 0.215 405 D C 1.106 177.149 176.300 -0.429 0.000 0.976 405 D CA 1.018 54.901 54.000 -0.195 0.000 0.884 405 D CB -0.113 40.619 40.800 -0.113 0.000 0.915 405 D HN 0.238 nan 8.370 nan 0.000 0.526 406 G N 0.252 108.892 108.800 -0.268 0.000 2.134 406 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.209 406 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.209 406 G C 0.104 174.893 174.900 -0.186 0.000 0.993 406 G CA -0.101 44.857 45.100 -0.237 0.000 0.669 406 G HN 0.531 nan 8.290 nan 0.000 0.519 407 R N 0.699 121.140 120.500 -0.098 0.000 2.389 407 R HA 0.556 4.896 4.340 -0.001 0.000 0.295 407 R C 0.787 177.197 176.300 0.184 0.000 1.075 407 R CA -0.072 56.133 56.100 0.174 0.000 1.005 407 R CB 0.145 30.597 30.300 0.254 0.000 0.987 407 R HN 0.676 nan 8.270 nan 0.000 0.452 408 I N 0.249 120.964 120.570 0.242 0.000 2.603 408 I HA 0.354 4.524 4.170 -0.001 0.000 0.300 408 I C -0.387 175.895 176.117 0.275 0.000 1.017 408 I CA -0.697 60.725 61.300 0.204 0.000 1.098 408 I CB 2.257 40.330 38.000 0.121 0.000 1.279 408 I HN 0.435 nan 8.210 nan 0.000 0.437 409 S N 4.458 120.295 115.700 0.229 0.000 2.400 409 S HA 0.249 4.718 4.470 -0.001 0.000 0.295 409 S C 0.942 175.557 174.600 0.025 0.000 1.113 409 S CA -0.671 57.617 58.200 0.146 0.000 1.064 409 S CB 0.817 64.118 63.200 0.168 0.000 0.990 409 S HN 0.581 nan 8.310 nan 0.000 0.502 410 V N 5.254 125.159 119.914 -0.015 0.000 2.828 410 V HA -0.166 3.953 4.120 -0.001 0.000 0.260 410 V C 2.632 178.697 176.094 -0.047 0.000 1.101 410 V CA 2.058 64.345 62.300 -0.021 0.000 1.123 410 V CB -1.443 30.366 31.823 -0.024 0.000 0.704 410 V HN 0.954 nan 8.190 nan 0.000 0.493 411 A N 0.432 123.211 122.820 -0.069 0.000 2.119 411 A HA 0.116 4.436 4.320 -0.001 0.000 0.217 411 A C 2.160 179.661 177.584 -0.140 0.000 1.153 411 A CA 1.224 53.191 52.037 -0.117 0.000 0.692 411 A CB -0.477 18.466 19.000 -0.096 0.000 0.799 411 A HN 0.548 nan 8.150 nan 0.000 0.458 412 G N -0.883 107.869 108.800 -0.080 0.000 3.141 412 G HA2 0.386 4.346 3.960 -0.001 0.000 0.218 412 G HA3 0.386 4.346 3.960 -0.001 0.000 0.218 412 G C 0.074 174.952 174.900 -0.037 0.000 1.170 412 G CA 0.146 45.203 45.100 -0.071 0.000 0.769 412 G HN 0.197 nan 8.290 nan 0.000 0.546 413 V N 1.491 121.380 119.914 -0.042 0.000 2.427 413 V HA 0.635 4.754 4.120 -0.001 0.000 0.286 413 V C 0.392 176.463 176.094 -0.038 0.000 1.034 413 V CA -0.299 61.988 62.300 -0.021 0.000 0.893 413 V CB 1.290 33.100 31.823 -0.023 0.000 0.982 413 V HN 0.348 nan 8.190 nan 0.000 0.452 414 T N -0.042 114.502 114.554 -0.017 0.000 2.901 414 T HA 0.335 4.685 4.350 -0.001 0.000 0.293 414 T C 1.055 175.748 174.700 -0.011 0.000 1.084 414 T CA 0.067 62.151 62.100 -0.026 0.000 1.008 414 T CB 1.760 70.616 68.868 -0.020 0.000 1.170 414 T HN 0.614 nan 8.240 nan 0.000 0.509 415 S N 0.461 116.151 115.700 -0.017 0.000 2.419 415 S HA 0.014 4.483 4.470 -0.001 0.000 0.233 415 S C 2.294 176.895 174.600 0.003 0.000 1.016 415 S CA 1.074 59.268 58.200 -0.010 0.000 0.974 415 S CB -1.306 61.885 63.200 -0.015 0.000 0.786 415 S HN 1.148 nan 8.310 nan 0.000 0.492 416 G N 3.171 111.974 108.800 0.006 0.000 2.450 416 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.220 416 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.220 416 G C 1.347 176.270 174.900 0.037 0.000 1.130 416 G CA 1.106 46.215 45.100 0.015 0.000 0.760 416 G HN 0.773 nan 8.290 nan 0.000 0.557 417 N N -0.700 118.032 118.700 0.053 0.000 2.181 417 N HA 0.075 4.815 4.740 -0.001 0.000 0.207 417 N C 1.566 177.148 175.510 0.120 0.000 1.182 417 N CA 0.541 53.657 53.050 0.111 0.000 0.893 417 N CB 0.069 38.636 38.487 0.134 0.000 1.032 417 N HN 0.088 nan 8.380 nan 0.000 0.513 418 V N 1.019 120.967 119.914 0.056 0.000 2.332 418 V HA -0.102 4.017 4.120 -0.001 0.000 0.248 418 V C 2.144 178.250 176.094 0.021 0.000 1.055 418 V CA 2.499 64.810 62.300 0.019 0.000 1.038 418 V CB -1.092 30.724 31.823 -0.012 0.000 0.651 418 V HN 0.436 nan 8.190 nan 0.000 0.450 419 G N -1.634 107.194 108.800 0.048 0.000 2.476 419 G HA2 -0.376 3.584 3.960 -0.001 0.000 0.218 419 G HA3 -0.376 3.584 3.960 -0.001 0.000 0.218 419 G C 1.524 176.506 174.900 0.136 0.000 1.164 419 G CA 1.326 46.464 45.100 0.064 0.000 0.768 419 G HN 0.612 nan 8.290 nan 0.000 0.560 420 Y N 1.076 121.402 120.300 0.043 0.000 2.097 420 Y HA -0.124 4.425 4.550 -0.001 0.000 0.282 420 Y C 2.556 178.497 175.900 0.068 0.000 1.152 420 Y CA 1.744 59.901 58.100 0.094 0.000 1.136 420 Y CB -0.696 37.821 38.460 0.094 0.000 0.975 420 Y HN 0.153 nan 8.280 nan 0.000 0.498 421 L N 0.700 121.884 121.223 -0.066 0.000 2.046 421 L HA -0.077 4.263 4.340 -0.001 0.000 0.208 421 L C 2.461 179.171 176.870 -0.266 0.000 1.077 421 L CA 2.235 56.935 54.840 -0.233 0.000 0.747 421 L CB -1.341 40.662 42.059 -0.094 0.000 0.896 421 L HN 0.239 nan 8.230 nan 0.000 0.432 422 A N -0.906 121.815 122.820 -0.166 0.000 1.903 422 A HA -0.367 3.953 4.320 -0.001 0.000 0.219 422 A C 2.253 179.743 177.584 -0.158 0.000 1.191 422 A CA 2.205 54.130 52.037 -0.185 0.000 0.638 422 A CB -1.207 17.719 19.000 -0.124 0.000 0.823 422 A HN 0.800 nan 8.150 nan 0.000 0.451 423 H N -0.188 118.767 119.070 -0.191 0.000 2.253 423 H HA 0.065 4.621 4.556 -0.001 0.000 0.299 423 H C 2.256 177.395 175.328 -0.315 0.000 1.064 423 H CA 2.341 58.306 56.048 -0.139 0.000 1.264 423 H CB -0.736 29.002 29.762 -0.041 0.000 1.371 423 H HN 0.359 nan 8.280 nan 0.000 0.493 424 A N 1.269 123.580 122.820 -0.848 0.000 1.896 424 A HA -0.255 4.065 4.320 -0.001 0.000 0.220 424 A C 2.711 179.740 177.584 -0.925 0.000 1.206 424 A CA 2.408 53.578 52.037 -1.445 0.000 0.647 424 A CB -1.314 16.854 19.000 -1.387 0.000 0.828 424 A HN 0.601 nan 8.150 nan 0.000 0.455 425 I N -1.602 118.643 120.570 -0.542 0.000 2.361 425 I HA -0.257 3.913 4.170 -0.001 0.000 0.251 425 I C 2.481 178.515 176.117 -0.138 0.000 1.133 425 I CA 1.823 62.932 61.300 -0.318 0.000 1.413 425 I CB -0.496 37.317 38.000 -0.312 0.000 1.073 425 I HN 0.590 nan 8.210 nan 0.000 0.424 426 H N 1.051 119.966 119.070 -0.258 0.000 2.395 426 H HA -0.112 4.444 4.556 -0.001 0.000 0.299 426 H C 2.196 177.447 175.328 -0.129 0.000 1.070 426 H CA 1.402 57.383 56.048 -0.112 0.000 1.356 426 H CB 0.067 29.777 29.762 -0.086 0.000 1.401 426 H HN 0.142 nan 8.280 nan 0.000 0.524 427 Q N 0.268 119.818 119.800 -0.416 0.000 2.061 427 Q HA -0.100 4.240 4.340 -0.001 0.000 0.204 427 Q C 2.565 178.440 176.000 -0.209 0.000 0.984 427 Q CA 1.826 57.406 55.803 -0.370 0.000 0.846 427 Q CB -0.930 27.636 28.738 -0.286 0.000 0.902 427 Q HN 0.602 nan 8.270 nan 0.000 0.421 428 V N -1.506 118.290 119.914 -0.197 0.000 3.380 428 V HA 0.011 4.131 4.120 -0.001 0.000 0.268 428 V C 1.553 177.652 176.094 0.009 0.000 1.168 428 V CA 1.678 63.938 62.300 -0.066 0.000 1.156 428 V CB -0.791 30.988 31.823 -0.074 0.000 0.785 428 V HN 0.403 nan 8.190 nan 0.000 0.487 429 T N -2.476 112.112 114.554 0.056 0.000 3.043 429 T HA 0.268 4.618 4.350 -0.001 0.000 0.272 429 T C 0.746 175.595 174.700 0.247 0.000 0.990 429 T CA -0.185 62.041 62.100 0.211 0.000 0.897 429 T CB -0.038 69.078 68.868 0.414 0.000 1.111 429 T HN 0.759 nan 8.240 nan 0.000 0.529 430 K N 0.000 120.421 120.400 0.035 0.000 2.780 430 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 430 K CA 0.000 56.279 56.287 -0.013 0.000 0.838 430 K CB 0.000 32.327 32.500 -0.288 0.000 1.064 430 K HN 0.000 nan 8.250 nan 0.000 0.543