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 2dpn_1_B DATA FIRST_RESID 3 DATA SEQUENCE FLLALDQGTT SSRAILFTLE GRPVAVAKRE FRQLYPKPGW VEHDPLEIWE DATA SEQUENCE TTLWAAREVL RRAGAEAGEV LALGITNQRE TTLLWDRKTG KPLHNAIVWQ DATA SEQUENCE DRRTTPLCEA LRAKGLEPLF RERTGLLFDP YFSGTKLVWL LENVPGLKAR DATA SEQUENCE AEGGGVAFGT VDTWLIWNLT GGKVHATDPT NASRTLLFNL HTLAWDPELL DATA SEQUENCE EALGIPAALL PEVRPSDGDF GETLPELLGA PVPIRGVLGD QQAALFGQAA DATA SEQUENCE LGGGEGKCTY GTGAFLLLNT GKRPVLSEKG LLATVAWSLG GRATYALEGS DATA SEQUENCE LFVAGAAVGW LKEVGLIRES AEVEALAASV EDTGDVYFVP AFTGLGAPYW DATA SEQUENCE DPYARGTLLG LTRGTSRAHL ARAALEGVAF QVRDVVLAME EEAGVRLKVL DATA SEQUENCE KADGGMAQNR LFLKIQADLL GVPVAVPEVT ETTALGAALM AGVGAGALSP DATA SEQUENCE EDVAGRFREA ERFLPTMPEG RREALYRRWR EAVERAKGWA RE 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 3 F HA 0.000 nan 4.527 nan 0.000 0.279 3 F C 0.000 175.834 175.800 0.056 0.000 0.967 3 F CA 0.000 58.025 58.000 0.041 0.000 1.383 3 F CB 0.000 39.014 39.000 0.023 0.000 1.145 4 L N 4.395 125.714 121.223 0.160 0.000 2.346 4 L HA 0.723 5.064 4.340 0.002 0.000 0.276 4 L C -1.357 175.624 176.870 0.185 0.000 1.006 4 L CA -1.133 53.803 54.840 0.160 0.000 0.817 4 L CB 2.178 44.318 42.059 0.136 0.000 1.272 4 L HN 0.471 nan 8.230 nan 0.000 0.421 5 L N 3.284 124.604 121.223 0.161 0.000 2.356 5 L HA 0.823 5.164 4.340 0.002 0.000 0.277 5 L C -0.593 176.367 176.870 0.150 0.000 0.996 5 L CA -0.251 54.675 54.840 0.143 0.000 0.822 5 L CB 1.605 43.727 42.059 0.104 0.000 1.256 5 L HN 0.626 nan 8.230 nan 0.000 0.413 6 A N 6.222 129.154 122.820 0.188 0.000 2.318 6 A HA 0.711 5.033 4.320 0.002 0.000 0.317 6 A C -1.205 176.458 177.584 0.132 0.000 1.159 6 A CA -0.561 51.584 52.037 0.179 0.000 0.799 6 A CB 0.736 19.917 19.000 0.302 0.000 1.194 6 A HN 0.682 nan 8.150 nan 0.000 0.479 7 L N 2.653 123.937 121.223 0.101 0.000 2.255 7 L HA 0.312 4.654 4.340 0.002 0.000 0.289 7 L C -0.639 176.290 176.870 0.099 0.000 1.046 7 L CA -0.474 54.425 54.840 0.098 0.000 0.816 7 L CB 1.153 43.270 42.059 0.096 0.000 1.197 7 L HN 0.789 nan 8.230 nan 0.000 0.427 8 D N 3.345 123.814 120.400 0.115 0.000 2.473 8 D HA 0.040 4.681 4.640 0.002 0.000 0.226 8 D C -0.078 176.300 176.300 0.131 0.000 1.089 8 D CA -0.284 53.789 54.000 0.121 0.000 0.883 8 D CB 0.886 41.769 40.800 0.139 0.000 1.029 8 D HN 0.252 nan 8.370 nan 0.000 0.517 9 Q N 3.091 122.967 119.800 0.126 0.000 2.423 9 Q HA 0.354 4.695 4.340 0.002 0.000 0.235 9 Q C 0.039 176.163 176.000 0.207 0.000 1.100 9 Q CA -0.329 55.561 55.803 0.145 0.000 0.908 9 Q CB 0.873 29.690 28.738 0.131 0.000 1.312 9 Q HN 0.666 nan 8.270 nan 0.000 0.497 10 G N 1.805 110.757 108.800 0.253 0.000 2.547 10 G HA2 0.232 4.194 3.960 0.002 0.000 0.291 10 G HA3 0.232 4.194 3.960 0.002 0.000 0.291 10 G C 0.736 175.892 174.900 0.427 0.000 1.211 10 G CA -0.242 45.042 45.100 0.307 0.000 0.950 10 G HN 0.535 nan 8.290 nan 0.000 0.504 11 T N -0.247 114.563 114.554 0.427 0.000 2.857 11 T HA -0.104 4.247 4.350 0.002 0.000 0.266 11 T C 2.546 177.363 174.700 0.195 0.000 1.048 11 T CA 2.013 64.393 62.100 0.467 0.000 1.139 11 T CB -0.236 68.947 68.868 0.525 0.000 0.874 11 T HN 0.681 nan 8.240 nan 0.000 0.455 12 T N -0.598 114.040 114.554 0.140 0.000 3.022 12 T HA 0.338 4.689 4.350 0.002 0.000 0.250 12 T C 0.646 175.323 174.700 -0.038 0.000 1.060 12 T CA 0.076 62.134 62.100 -0.069 0.000 1.013 12 T CB 0.057 68.951 68.868 0.042 0.000 0.982 12 T HN 0.420 nan 8.240 nan 0.000 0.508 13 S N -0.293 115.602 115.700 0.324 0.000 2.595 13 S HA 0.571 5.042 4.470 0.002 0.000 0.270 13 S C -1.321 173.521 174.600 0.403 0.000 1.145 13 S CA -0.985 57.493 58.200 0.464 0.000 0.825 13 S CB 1.400 64.739 63.200 0.231 0.000 1.107 13 S HN 0.088 nan 8.310 nan 0.000 0.461 14 S N 0.826 116.673 115.700 0.244 0.000 2.457 14 S HA 0.615 5.087 4.470 0.002 0.000 0.289 14 S C -0.250 174.442 174.600 0.153 0.000 1.163 14 S CA -0.707 57.569 58.200 0.126 0.000 1.078 14 S CB 0.619 63.824 63.200 0.009 0.000 0.987 14 S HN 0.642 nan 8.310 nan 0.000 0.482 15 R N 1.710 122.296 120.500 0.142 0.000 2.562 15 R HA 0.720 5.062 4.340 0.002 0.000 0.298 15 R C -1.321 175.041 176.300 0.104 0.000 0.961 15 R CA -0.530 55.647 56.100 0.128 0.000 0.881 15 R CB 1.246 31.625 30.300 0.132 0.000 1.159 15 R HN 0.695 nan 8.270 nan 0.000 0.450 16 A N 5.607 128.470 122.820 0.072 0.000 2.359 16 A HA 0.601 4.922 4.320 0.002 0.000 0.303 16 A C -1.209 176.359 177.584 -0.028 0.000 1.066 16 A CA -0.715 51.345 52.037 0.038 0.000 0.730 16 A CB 1.116 20.130 19.000 0.023 0.000 1.211 16 A HN 0.507 nan 8.150 nan 0.000 0.439 17 I N 2.836 123.374 120.570 -0.053 0.000 2.533 17 I HA 0.345 4.516 4.170 0.002 0.000 0.290 17 I C -1.071 174.879 176.117 -0.279 0.000 1.056 17 I CA -0.613 60.523 61.300 -0.273 0.000 1.057 17 I CB 1.588 39.288 38.000 -0.500 0.000 1.240 17 I HN 0.577 nan 8.210 nan 0.000 0.423 18 L N 7.199 128.219 121.223 -0.339 0.000 2.297 18 L HA 0.551 4.893 4.340 0.002 0.000 0.277 18 L C -0.946 175.733 176.870 -0.318 0.000 1.040 18 L CA 0.146 54.872 54.840 -0.190 0.000 0.867 18 L CB 0.038 42.042 42.059 -0.092 0.000 1.244 18 L HN 0.273 nan 8.230 nan 0.000 0.433 19 F N 1.147 121.028 119.950 -0.115 0.000 2.251 19 F HA 0.655 5.183 4.527 0.002 0.000 0.302 19 F C 1.629 177.279 175.800 -0.249 0.000 1.143 19 F CA 0.179 58.088 58.000 -0.150 0.000 1.104 19 F CB 0.164 39.115 39.000 -0.081 0.000 1.516 19 F HN 0.523 nan 8.300 nan 0.000 0.511 20 T N -2.141 112.429 114.554 0.027 0.000 3.030 20 T HA 0.392 4.744 4.350 0.002 0.000 0.274 20 T C 0.718 175.419 174.700 0.003 0.000 1.187 20 T CA -0.382 61.658 62.100 -0.099 0.000 0.949 20 T CB 0.010 68.823 68.868 -0.091 0.000 2.268 20 T HN 0.448 nan 8.240 nan 0.000 0.554 21 L N 0.821 122.048 121.223 0.007 0.000 2.609 21 L HA 0.261 4.602 4.340 0.002 0.000 0.230 21 L C 2.365 179.229 176.870 -0.010 0.000 1.087 21 L CA 0.255 55.105 54.840 0.015 0.000 0.874 21 L CB 0.012 42.092 42.059 0.035 0.000 1.114 21 L HN 0.753 nan 8.230 nan 0.000 0.488 22 E N -0.180 120.010 120.200 -0.016 0.000 2.474 22 E HA 0.116 4.467 4.350 0.002 0.000 0.195 22 E C 1.246 177.818 176.600 -0.047 0.000 1.039 22 E CA 0.864 57.246 56.400 -0.030 0.000 0.881 22 E CB 0.821 30.507 29.700 -0.022 0.000 0.970 22 E HN 0.287 nan 8.360 nan 0.000 0.486 23 G N 1.894 110.667 108.800 -0.045 0.000 2.195 23 G HA2 -0.294 3.668 3.960 0.002 0.000 0.224 23 G HA3 -0.294 3.668 3.960 0.002 0.000 0.224 23 G C 0.310 175.245 174.900 0.060 0.000 0.990 23 G CA 0.038 45.086 45.100 -0.087 0.000 0.639 23 G HN 0.336 nan 8.290 nan 0.000 0.514 24 R N 2.134 122.688 120.500 0.090 0.000 2.438 24 R HA 0.466 4.808 4.340 0.002 0.000 0.287 24 R C -2.104 174.313 176.300 0.195 0.000 1.077 24 R CA -1.199 54.978 56.100 0.128 0.000 1.034 24 R CB 0.826 31.141 30.300 0.025 0.000 0.993 24 R HN 0.177 nan 8.270 nan 0.000 0.459 25 P HA 0.040 nan 4.420 nan 0.000 0.282 25 P C -0.257 176.929 177.300 -0.190 0.000 1.249 25 P CA -0.220 62.767 63.100 -0.187 0.000 0.806 25 P CB 1.689 33.211 31.700 -0.297 0.000 0.984 26 V N 1.421 121.173 119.914 -0.269 0.000 2.806 26 V HA 0.370 4.491 4.120 0.002 0.000 0.239 26 V C 1.024 177.023 176.094 -0.159 0.000 1.113 26 V CA 1.366 63.544 62.300 -0.202 0.000 1.137 26 V CB -0.344 31.325 31.823 -0.257 0.000 0.865 26 V HN 0.795 nan 8.190 nan 0.000 0.482 27 A N -0.610 122.096 122.820 -0.191 0.000 2.609 27 A HA 0.797 5.118 4.320 0.002 0.000 0.291 27 A C -1.593 175.894 177.584 -0.162 0.000 1.096 27 A CA -0.391 51.562 52.037 -0.139 0.000 0.684 27 A CB 2.140 21.081 19.000 -0.098 0.000 1.282 27 A HN 0.046 nan 8.150 nan 0.000 0.412 28 V N -0.384 119.467 119.914 -0.106 0.000 2.888 28 V HA 0.846 4.968 4.120 0.002 0.000 0.309 28 V C -0.230 175.845 176.094 -0.031 0.000 1.114 28 V CA -0.019 62.234 62.300 -0.079 0.000 0.940 28 V CB 1.875 33.663 31.823 -0.058 0.000 1.021 28 V HN 1.875 nan 8.190 nan 0.000 0.426 29 A N 3.725 126.545 122.820 0.001 0.000 2.402 29 A HA 0.829 5.150 4.320 0.002 0.000 0.291 29 A C -0.953 176.733 177.584 0.171 0.000 1.051 29 A CA -0.633 51.443 52.037 0.066 0.000 0.716 29 A CB 1.598 20.564 19.000 -0.058 0.000 1.223 29 A HN 0.764 nan 8.150 nan 0.000 0.425 30 K N 2.134 122.676 120.400 0.236 0.000 2.427 30 K HA 0.717 5.039 4.320 0.002 0.000 0.252 30 K C -1.043 175.683 176.600 0.209 0.000 0.931 30 K CA -0.633 55.781 56.287 0.212 0.000 0.793 30 K CB 1.832 34.418 32.500 0.143 0.000 1.211 30 K HN 0.810 nan 8.250 nan 0.000 0.426 31 R N 3.322 123.908 120.500 0.144 0.000 2.515 31 R HA 0.193 4.534 4.340 0.002 0.000 0.291 31 R C -0.990 175.358 176.300 0.080 0.000 1.046 31 R CA -0.464 55.629 56.100 -0.011 0.000 0.914 31 R CB 1.461 31.576 30.300 -0.309 0.000 1.191 31 R HN 0.752 nan 8.270 nan 0.000 0.435 32 E N 2.602 122.843 120.200 0.069 0.000 2.410 32 E HA 0.184 4.535 4.350 0.002 0.000 0.255 32 E C -0.876 175.859 176.600 0.226 0.000 1.194 32 E CA 0.121 56.602 56.400 0.134 0.000 0.955 32 E CB 0.509 30.220 29.700 0.018 0.000 0.988 32 E HN 0.425 nan 8.360 nan 0.000 0.461 33 F N -1.288 118.611 119.950 -0.086 0.000 2.722 33 F HA 0.407 4.935 4.527 0.002 0.000 0.336 33 F C -0.705 175.033 175.800 -0.103 0.000 1.216 33 F CA -1.530 56.406 58.000 -0.106 0.000 1.065 33 F CB 0.422 39.350 39.000 -0.119 0.000 1.325 33 F HN 0.131 nan 8.300 nan 0.000 0.524 34 R N 2.829 123.283 120.500 -0.077 0.000 2.531 34 R HA -0.037 4.305 4.340 0.002 0.000 0.269 34 R C -0.562 175.606 176.300 -0.221 0.000 0.898 34 R CA 0.811 56.830 56.100 -0.135 0.000 1.111 34 R CB 0.201 30.469 30.300 -0.054 0.000 0.865 34 R HN 0.688 nan 8.270 nan 0.000 0.427 35 Q N 5.208 124.828 119.800 -0.301 0.000 2.314 35 Q HA 0.239 4.580 4.340 0.002 0.000 0.259 35 Q C -0.413 175.243 176.000 -0.573 0.000 0.951 35 Q CA -0.489 55.078 55.803 -0.393 0.000 0.909 35 Q CB 1.318 29.729 28.738 -0.546 0.000 1.236 35 Q HN 0.509 nan 8.270 nan 0.000 0.444 36 L N 3.681 124.708 121.223 -0.327 0.000 2.325 36 L HA 0.198 4.540 4.340 0.002 0.000 0.284 36 L C -0.576 176.162 176.870 -0.220 0.000 1.089 36 L CA -0.380 54.320 54.840 -0.234 0.000 0.836 36 L CB -0.181 41.844 42.059 -0.057 0.000 1.184 36 L HN 0.455 nan 8.230 nan 0.000 0.444 37 Y N 4.299 124.609 120.300 0.015 0.000 2.944 37 Y HA 0.289 4.840 4.550 0.002 0.000 0.335 37 Y C -1.416 174.495 175.900 0.018 0.000 1.075 37 Y CA -2.657 55.453 58.100 0.017 0.000 1.240 37 Y CB -0.130 38.329 38.460 -0.003 0.000 1.167 37 Y HN 0.488 nan 8.280 nan 0.000 0.555 38 P HA -0.094 nan 4.420 nan 0.000 0.205 38 P C -0.326 176.933 177.300 -0.068 0.000 1.193 38 P CA 1.412 64.562 63.100 0.083 0.000 0.929 38 P CB 0.479 32.286 31.700 0.180 0.000 0.772 39 K N -1.412 118.850 120.400 -0.229 0.000 2.295 39 K HA 0.487 4.808 4.320 0.002 0.000 0.239 39 K C -2.668 173.828 176.600 -0.174 0.000 0.991 39 K CA -2.543 53.517 56.287 -0.379 0.000 0.845 39 K CB 0.375 32.328 32.500 -0.912 0.000 1.197 39 K HN -0.171 nan 8.250 nan 0.000 0.441 40 P HA -0.102 nan 4.420 nan 0.000 0.264 40 P C 0.622 177.982 177.300 0.100 0.000 1.179 40 P CA 1.113 64.192 63.100 -0.036 0.000 0.763 40 P CB 0.271 31.948 31.700 -0.038 0.000 0.806 41 G N -0.108 108.757 108.800 0.107 0.000 2.189 41 G HA2 -0.227 3.734 3.960 0.002 0.000 0.267 41 G HA3 -0.227 3.734 3.960 0.002 0.000 0.267 41 G C -0.592 174.470 174.900 0.270 0.000 0.975 41 G CA -0.343 44.859 45.100 0.169 0.000 0.644 41 G HN 0.369 nan 8.290 nan 0.000 0.537 42 W N -0.240 121.016 121.300 -0.073 0.000 2.433 42 W HA 0.677 5.338 4.660 0.002 0.000 0.315 42 W C -0.183 176.321 176.519 -0.025 0.000 1.087 42 W CA -1.083 56.210 57.345 -0.087 0.000 1.205 42 W CB 1.794 31.208 29.460 -0.077 0.000 1.288 42 W HN 0.178 nan 8.180 nan 0.000 0.504 43 V N 3.797 123.730 119.914 0.032 0.000 2.447 43 V HA 0.328 4.449 4.120 0.002 0.000 0.292 43 V C -0.311 175.666 176.094 -0.195 0.000 1.021 43 V CA -1.148 61.125 62.300 -0.045 0.000 0.850 43 V CB 1.182 32.891 31.823 -0.189 0.000 1.005 43 V HN 0.455 nan 8.190 nan 0.000 0.426 44 E N 2.854 122.968 120.200 -0.144 0.000 2.227 44 E HA 0.619 4.970 4.350 0.002 0.000 0.268 44 E C -1.215 175.344 176.600 -0.067 0.000 0.907 44 E CA -0.843 55.487 56.400 -0.116 0.000 0.786 44 E CB 2.652 32.350 29.700 -0.003 0.000 1.191 44 E HN 0.731 nan 8.360 nan 0.000 0.411 45 H N 0.599 119.666 119.070 -0.005 0.000 2.589 45 H HA 0.102 4.660 4.556 0.002 0.000 0.351 45 H C -1.019 174.358 175.328 0.082 0.000 1.074 45 H CA -0.877 55.214 56.048 0.071 0.000 1.203 45 H CB 1.715 31.581 29.762 0.173 0.000 1.558 45 H HN 0.384 nan 8.280 nan 0.000 0.522 46 D N 5.051 125.588 120.400 0.229 0.000 2.348 46 D HA 0.022 4.663 4.640 0.002 0.000 0.259 46 D C -1.772 174.619 176.300 0.152 0.000 1.296 46 D CA -1.810 52.275 54.000 0.141 0.000 0.931 46 D CB 1.228 42.101 40.800 0.121 0.000 1.067 46 D HN 0.359 nan 8.370 nan 0.000 0.503 47 P HA -0.140 nan 4.420 nan 0.000 0.221 47 P C 1.272 178.791 177.300 0.366 0.000 1.141 47 P CA 0.959 64.127 63.100 0.113 0.000 0.794 47 P CB 0.301 31.869 31.700 -0.220 0.000 0.764 48 L N -1.237 120.136 121.223 0.250 0.000 2.130 48 L HA -0.014 4.328 4.340 0.002 0.000 0.200 48 L C 2.370 179.336 176.870 0.160 0.000 1.075 48 L CA 0.955 55.946 54.840 0.252 0.000 0.768 48 L CB -1.036 41.126 42.059 0.172 0.000 0.933 48 L HN -0.156 nan 8.230 nan 0.000 0.451 49 E N 0.608 120.872 120.200 0.107 0.000 2.233 49 E HA -0.233 4.118 4.350 0.002 0.000 0.199 49 E C 2.176 178.707 176.600 -0.115 0.000 1.004 49 E CA 1.367 57.795 56.400 0.047 0.000 0.819 49 E CB -0.073 29.713 29.700 0.143 0.000 0.738 49 E HN 0.531 nan 8.360 nan 0.000 0.478 50 I N -0.481 120.027 120.570 -0.103 0.000 2.206 50 I HA -0.199 3.972 4.170 0.002 0.000 0.239 50 I C 2.458 178.574 176.117 -0.000 0.000 1.078 50 I CA 0.716 61.845 61.300 -0.285 0.000 1.367 50 I CB -0.322 37.656 38.000 -0.036 0.000 1.078 50 I HN 0.270 nan 8.210 nan 0.000 0.413 51 W N 2.151 123.419 121.300 -0.053 0.000 2.392 51 W HA -0.177 4.484 4.660 0.002 0.000 0.279 51 W C 1.595 178.070 176.519 -0.074 0.000 1.225 51 W CA 0.829 58.116 57.345 -0.098 0.000 1.233 51 W CB 0.173 29.553 29.460 -0.134 0.000 1.122 51 W HN 0.187 nan 8.180 nan 0.000 0.561 52 E N -0.662 119.445 120.200 -0.156 0.000 2.502 52 E HA -0.086 4.266 4.350 0.002 0.000 0.194 52 E C 1.449 177.940 176.600 -0.181 0.000 1.062 52 E CA 1.217 57.459 56.400 -0.264 0.000 0.867 52 E CB 0.166 29.785 29.700 -0.135 0.000 0.888 52 E HN 0.262 nan 8.360 nan 0.000 0.510 53 T N -3.994 110.467 114.554 -0.155 0.000 2.958 53 T HA 0.049 4.401 4.350 0.002 0.000 0.256 53 T C 1.800 176.506 174.700 0.011 0.000 0.983 53 T CA -0.107 61.958 62.100 -0.060 0.000 0.924 53 T CB 0.327 69.098 68.868 -0.162 0.000 1.136 53 T HN -0.130 nan 8.240 nan 0.000 0.506 54 T N 2.072 116.607 114.554 -0.032 0.000 3.043 54 T HA 0.233 4.584 4.350 0.002 0.000 0.263 54 T C 1.530 176.214 174.700 -0.028 0.000 1.094 54 T CA 0.434 62.585 62.100 0.086 0.000 1.127 54 T CB -0.087 68.991 68.868 0.350 0.000 0.905 54 T HN 0.125 nan 8.240 nan 0.000 0.490 55 L N -0.676 120.325 121.223 -0.371 0.000 2.200 55 L HA 0.362 4.704 4.340 0.002 0.000 0.200 55 L C 1.893 178.644 176.870 -0.198 0.000 1.072 55 L CA 0.904 55.463 54.840 -0.468 0.000 0.787 55 L CB -0.582 40.886 42.059 -0.984 0.000 0.957 55 L HN 0.360 nan 8.230 nan 0.000 0.459 56 W N 0.527 121.654 121.300 -0.290 0.000 2.341 56 W HA -0.223 4.438 4.660 0.002 0.000 0.283 56 W C 1.938 178.387 176.519 -0.116 0.000 1.215 56 W CA 2.260 59.497 57.345 -0.180 0.000 1.211 56 W CB 0.055 29.424 29.460 -0.152 0.000 1.131 56 W HN 0.272 nan 8.180 nan 0.000 0.552 57 A N -0.462 122.389 122.820 0.052 0.000 2.014 57 A HA 0.275 4.597 4.320 0.002 0.000 0.210 57 A C 1.963 179.477 177.584 -0.116 0.000 1.188 57 A CA 0.940 52.952 52.037 -0.042 0.000 0.731 57 A CB -1.167 17.925 19.000 0.153 0.000 0.858 57 A HN 0.244 nan 8.150 nan 0.000 0.464 58 A N 0.597 123.372 122.820 -0.076 0.000 1.908 58 A HA -0.182 4.140 4.320 0.002 0.000 0.218 58 A C 2.244 179.762 177.584 -0.110 0.000 1.181 58 A CA 1.652 53.655 52.037 -0.056 0.000 0.627 58 A CB -0.414 18.576 19.000 -0.016 0.000 0.818 58 A HN 0.537 nan 8.150 nan 0.000 0.445 59 R N -1.054 119.337 120.500 -0.182 0.000 2.062 59 R HA -0.028 4.313 4.340 0.002 0.000 0.226 59 R C 2.131 178.271 176.300 -0.266 0.000 1.125 59 R CA 0.944 56.919 56.100 -0.208 0.000 0.966 59 R CB -0.304 29.850 30.300 -0.243 0.000 0.861 59 R HN 0.414 nan 8.270 nan 0.000 0.433 60 E N 0.813 120.760 120.200 -0.421 0.000 2.130 60 E HA -0.168 4.183 4.350 0.002 0.000 0.196 60 E C 2.108 178.551 176.600 -0.262 0.000 0.998 60 E CA 1.726 57.844 56.400 -0.470 0.000 0.806 60 E CB -0.067 29.154 29.700 -0.797 0.000 0.738 60 E HN 0.260 nan 8.360 nan 0.000 0.459 61 V N -0.715 119.086 119.914 -0.189 0.000 2.244 61 V HA -0.242 3.879 4.120 0.002 0.000 0.244 61 V C 2.635 178.680 176.094 -0.082 0.000 1.042 61 V CA 1.447 63.676 62.300 -0.119 0.000 1.006 61 V CB -1.245 30.523 31.823 -0.092 0.000 0.641 61 V HN 0.115 nan 8.190 nan 0.000 0.446 62 L N -0.118 121.068 121.223 -0.063 0.000 2.103 62 L HA -0.247 4.095 4.340 0.002 0.000 0.215 62 L C 3.026 179.871 176.870 -0.042 0.000 1.080 62 L CA 2.546 57.372 54.840 -0.024 0.000 0.764 62 L CB -0.859 41.180 42.059 -0.034 0.000 0.890 62 L HN 0.389 nan 8.230 nan 0.000 0.435 63 R N 0.889 121.336 120.500 -0.088 0.000 2.075 63 R HA -0.137 4.204 4.340 0.002 0.000 0.230 63 R C 2.393 178.652 176.300 -0.069 0.000 1.140 63 R CA 1.523 57.568 56.100 -0.090 0.000 0.928 63 R CB -0.183 30.034 30.300 -0.139 0.000 0.834 63 R HN 0.270 nan 8.270 nan 0.000 0.429 64 R N -0.223 120.227 120.500 -0.083 0.000 2.355 64 R HA -0.090 4.251 4.340 0.002 0.000 0.219 64 R C 1.799 178.076 176.300 -0.038 0.000 1.107 64 R CA 0.915 56.978 56.100 -0.061 0.000 1.021 64 R CB -0.027 30.230 30.300 -0.072 0.000 0.852 64 R HN 0.322 nan 8.270 nan 0.000 0.475 65 A N -0.480 122.326 122.820 -0.023 0.000 1.993 65 A HA 0.292 4.613 4.320 0.002 0.000 0.207 65 A C 1.541 179.150 177.584 0.042 0.000 1.224 65 A CA 0.782 52.828 52.037 0.017 0.000 0.749 65 A CB 0.264 19.296 19.000 0.053 0.000 0.884 65 A HN 0.332 nan 8.150 nan 0.000 0.467 66 G N -1.667 107.145 108.800 0.020 0.000 2.132 66 G HA2 0.183 4.145 3.960 0.002 0.000 0.234 66 G HA3 0.183 4.145 3.960 0.002 0.000 0.234 66 G C 0.279 175.187 174.900 0.013 0.000 0.989 66 G CA 0.354 45.460 45.100 0.009 0.000 0.676 66 G HN 1.534 nan 8.290 nan 0.000 0.522 67 A N 0.063 122.908 122.820 0.041 0.000 2.303 67 A HA 0.767 5.088 4.320 0.002 0.000 0.317 67 A C 0.348 177.897 177.584 -0.059 0.000 1.149 67 A CA 0.115 52.143 52.037 -0.015 0.000 0.822 67 A CB 0.599 19.687 19.000 0.147 0.000 1.131 67 A HN 0.889 nan 8.150 nan 0.000 0.493 68 E N 1.381 121.508 120.200 -0.123 0.000 2.204 68 E HA 0.576 4.928 4.350 0.002 0.000 0.276 68 E C 0.699 177.243 176.600 -0.094 0.000 0.974 68 E CA -0.290 56.054 56.400 -0.094 0.000 0.815 68 E CB 1.594 31.239 29.700 -0.093 0.000 1.119 68 E HN 0.556 nan 8.360 nan 0.000 0.393 69 A N 3.638 126.425 122.820 -0.056 0.000 1.958 69 A HA -0.211 4.111 4.320 0.002 0.000 0.221 69 A C 2.089 179.646 177.584 -0.045 0.000 1.178 69 A CA 2.057 54.074 52.037 -0.035 0.000 0.642 69 A CB -1.409 17.577 19.000 -0.024 0.000 0.816 69 A HN 0.872 nan 8.150 nan 0.000 0.453 70 G N -0.602 108.162 108.800 -0.060 0.000 2.475 70 G HA2 -0.261 3.700 3.960 0.002 0.000 0.220 70 G HA3 -0.261 3.700 3.960 0.002 0.000 0.220 70 G C 1.386 176.239 174.900 -0.079 0.000 1.125 70 G CA 1.107 46.172 45.100 -0.060 0.000 0.755 70 G HN 0.718 nan 8.290 nan 0.000 0.565 71 E N -0.127 119.989 120.200 -0.139 0.000 2.028 71 E HA -0.013 4.338 4.350 0.002 0.000 0.191 71 E C 0.979 177.521 176.600 -0.096 0.000 0.988 71 E CA 0.161 56.434 56.400 -0.211 0.000 0.799 71 E CB -0.186 29.214 29.700 -0.501 0.000 0.755 71 E HN 0.195 nan 8.360 nan 0.000 0.447 72 V N 3.238 123.138 119.914 -0.022 0.000 2.742 72 V HA -0.199 3.922 4.120 0.002 0.000 0.302 72 V C 1.412 177.546 176.094 0.066 0.000 1.133 72 V CA 0.639 62.992 62.300 0.089 0.000 1.284 72 V CB 0.189 32.063 31.823 0.086 0.000 0.850 72 V HN 0.286 nan 8.190 nan 0.000 0.494 73 L N 4.534 125.815 121.223 0.096 0.000 2.022 73 L HA 0.328 4.670 4.340 0.002 0.000 0.204 73 L C 1.054 177.959 176.870 0.059 0.000 1.076 73 L CA 1.663 56.544 54.840 0.068 0.000 0.749 73 L CB 0.131 42.236 42.059 0.078 0.000 0.903 73 L HN 0.810 nan 8.230 nan 0.000 0.439 74 A N -0.956 121.905 122.820 0.068 0.000 2.569 74 A HA 0.593 4.914 4.320 0.002 0.000 0.290 74 A C -1.751 175.870 177.584 0.063 0.000 1.136 74 A CA -0.512 51.560 52.037 0.057 0.000 0.710 74 A CB 1.496 20.524 19.000 0.047 0.000 1.303 74 A HN 0.123 nan 8.150 nan 0.000 0.413 75 L N -0.017 121.236 121.223 0.050 0.000 2.342 75 L HA 0.828 5.169 4.340 0.002 0.000 0.271 75 L C 0.268 177.152 176.870 0.023 0.000 1.008 75 L CA 0.113 54.981 54.840 0.048 0.000 0.818 75 L CB 2.069 44.154 42.059 0.044 0.000 1.296 75 L HN 0.986 nan 8.230 nan 0.000 0.427 76 G N 4.661 113.478 108.800 0.029 0.000 2.590 76 G HA2 0.621 4.582 3.960 0.002 0.000 0.310 76 G HA3 0.621 4.582 3.960 0.002 0.000 0.310 76 G C -1.440 173.458 174.900 -0.003 0.000 1.347 76 G CA -0.357 44.741 45.100 -0.002 0.000 0.963 76 G HN 0.348 nan 8.290 nan 0.000 0.494 77 I N 1.602 122.137 120.570 -0.059 0.000 2.362 77 I HA 0.496 4.667 4.170 0.002 0.000 0.289 77 I C -0.089 176.004 176.117 -0.040 0.000 0.994 77 I CA -0.601 60.669 61.300 -0.049 0.000 1.158 77 I CB 1.411 39.350 38.000 -0.101 0.000 1.315 77 I HN 0.389 nan 8.210 nan 0.000 0.451 78 T N 7.270 121.831 114.554 0.012 0.000 2.928 78 T HA 0.572 4.924 4.350 0.002 0.000 0.296 78 T C -0.661 174.071 174.700 0.053 0.000 1.000 78 T CA -0.631 61.484 62.100 0.025 0.000 0.989 78 T CB 1.016 69.914 68.868 0.049 0.000 1.005 78 T HN 0.827 nan 8.240 nan 0.000 0.442 79 N N 3.161 121.891 118.700 0.050 0.000 2.831 79 N HA 0.362 5.103 4.740 0.002 0.000 0.276 79 N C -0.728 174.837 175.510 0.091 0.000 1.416 79 N CA -0.873 52.231 53.050 0.091 0.000 0.799 79 N CB 0.955 39.501 38.487 0.097 0.000 1.554 79 N HN 0.611 nan 8.380 nan 0.000 0.541 80 Q N -0.182 119.718 119.800 0.166 0.000 2.624 80 Q HA 0.033 4.375 4.340 0.002 0.000 0.256 80 Q C 0.628 176.676 176.000 0.080 0.000 1.119 80 Q CA 0.320 56.235 55.803 0.187 0.000 0.995 80 Q CB 1.037 30.011 28.738 0.392 0.000 1.318 80 Q HN 0.560 nan 8.270 nan 0.000 0.534 81 R N 0.326 120.806 120.500 -0.035 0.000 2.056 81 R HA -0.033 4.308 4.340 0.002 0.000 0.215 81 R C 1.185 177.480 176.300 -0.009 0.000 1.205 81 R CA 0.987 57.029 56.100 -0.097 0.000 1.020 81 R CB 0.337 30.471 30.300 -0.277 0.000 0.911 81 R HN 0.580 nan 8.270 nan 0.000 0.451 82 E N -0.389 119.796 120.200 -0.026 0.000 2.452 82 E HA 0.114 4.465 4.350 0.002 0.000 0.197 82 E C -0.441 176.246 176.600 0.146 0.000 1.022 82 E CA 0.224 56.633 56.400 0.014 0.000 0.890 82 E CB 0.561 30.119 29.700 -0.235 0.000 0.918 82 E HN 0.133 nan 8.360 nan 0.000 0.496 83 T N 2.035 116.732 114.554 0.238 0.000 2.750 83 T HA 0.007 4.358 4.350 0.002 0.000 0.277 83 T C 0.062 174.877 174.700 0.192 0.000 0.996 83 T CA 0.647 62.869 62.100 0.203 0.000 1.195 83 T CB 0.176 69.201 68.868 0.262 0.000 0.963 83 T HN -0.030 nan 8.240 nan 0.000 0.516 84 T N 5.117 119.774 114.554 0.172 0.000 2.859 84 T HA 0.634 4.985 4.350 0.002 0.000 0.281 84 T C -0.006 174.801 174.700 0.178 0.000 1.005 84 T CA -0.683 61.565 62.100 0.247 0.000 1.025 84 T CB 0.948 70.006 68.868 0.317 0.000 0.977 84 T HN 0.344 nan 8.240 nan 0.000 0.458 85 L N 2.579 123.903 121.223 0.168 0.000 2.301 85 L HA 0.688 5.029 4.340 0.002 0.000 0.264 85 L C -1.045 175.857 176.870 0.054 0.000 1.016 85 L CA -1.121 53.778 54.840 0.098 0.000 0.821 85 L CB 1.989 44.061 42.059 0.022 0.000 1.346 85 L HN 0.348 nan 8.230 nan 0.000 0.429 86 L N 1.608 122.847 121.223 0.027 0.000 2.476 86 L HA 0.454 4.795 4.340 0.002 0.000 0.269 86 L C -1.754 175.093 176.870 -0.038 0.000 0.965 86 L CA -0.365 54.410 54.840 -0.109 0.000 0.845 86 L CB 2.056 44.116 42.059 0.001 0.000 1.259 86 L HN 0.701 nan 8.230 nan 0.000 0.403 87 W N 2.313 123.513 121.300 -0.167 0.000 3.075 87 W HA 0.563 5.224 4.660 0.002 0.000 0.334 87 W C -1.375 175.066 176.519 -0.129 0.000 1.243 87 W CA -1.052 56.185 57.345 -0.180 0.000 1.170 87 W CB 0.707 29.973 29.460 -0.324 0.000 1.452 87 W HN 0.341 nan 8.180 nan 0.000 0.572 88 D N 0.948 121.477 120.400 0.215 0.000 2.264 88 D HA 0.289 4.930 4.640 0.002 0.000 0.250 88 D C 1.334 177.807 176.300 0.287 0.000 1.113 88 D CA -0.227 53.866 54.000 0.155 0.000 0.871 88 D CB 1.331 42.223 40.800 0.153 0.000 1.167 88 D HN 0.458 nan 8.370 nan 0.000 0.447 89 R N 2.611 123.234 120.500 0.205 0.000 2.083 89 R HA -0.147 4.194 4.340 0.002 0.000 0.237 89 R C 1.671 178.276 176.300 0.509 0.000 1.137 89 R CA 1.300 57.643 56.100 0.405 0.000 0.951 89 R CB -0.041 30.438 30.300 0.297 0.000 0.851 89 R HN 0.466 nan 8.270 nan 0.000 0.434 90 K N -0.022 120.560 120.400 0.303 0.000 1.965 90 K HA -0.128 4.193 4.320 0.002 0.000 0.214 90 K C 2.401 179.159 176.600 0.264 0.000 1.046 90 K CA 2.100 58.533 56.287 0.244 0.000 0.944 90 K CB -0.515 32.079 32.500 0.158 0.000 0.726 90 K HN 0.313 nan 8.250 nan 0.000 0.441 91 T N -1.977 112.721 114.554 0.239 0.000 2.833 91 T HA -0.032 4.319 4.350 0.002 0.000 0.269 91 T C 1.514 176.395 174.700 0.302 0.000 1.054 91 T CA 1.101 63.337 62.100 0.226 0.000 1.135 91 T CB -0.531 68.448 68.868 0.183 0.000 0.869 91 T HN 0.484 nan 8.240 nan 0.000 0.466 92 G N 1.145 110.197 108.800 0.420 0.000 2.176 92 G HA2 -0.258 3.703 3.960 0.002 0.000 0.252 92 G HA3 -0.258 3.703 3.960 0.002 0.000 0.252 92 G C -0.148 174.972 174.900 0.368 0.000 1.024 92 G CA 0.376 45.794 45.100 0.530 0.000 0.755 92 G HN 0.825 nan 8.290 nan 0.000 0.507 93 K N 0.721 121.301 120.400 0.299 0.000 2.207 93 K HA 0.554 4.875 4.320 0.002 0.000 0.255 93 K C -2.376 174.345 176.600 0.202 0.000 0.941 93 K CA -2.376 54.050 56.287 0.233 0.000 0.825 93 K CB 2.225 34.837 32.500 0.186 0.000 1.119 93 K HN -0.008 nan 8.250 nan 0.000 0.430 94 P HA 0.052 nan 4.420 nan 0.000 0.276 94 P C 0.073 177.435 177.300 0.103 0.000 1.253 94 P CA -0.324 62.816 63.100 0.067 0.000 0.766 94 P CB 0.452 32.139 31.700 -0.021 0.000 0.845 95 L N 0.493 121.791 121.223 0.125 0.000 2.627 95 L HA 0.419 4.760 4.340 0.002 0.000 0.233 95 L C 0.596 177.589 176.870 0.204 0.000 1.144 95 L CA 0.678 55.597 54.840 0.130 0.000 0.892 95 L CB -1.229 40.889 42.059 0.099 0.000 1.039 95 L HN 0.495 nan 8.230 nan 0.000 0.442 96 H N -0.767 118.343 119.070 0.067 0.000 2.947 96 H HA 0.178 4.735 4.556 0.002 0.000 0.273 96 H C -0.855 174.517 175.328 0.073 0.000 1.283 96 H CA -0.705 55.396 56.048 0.089 0.000 1.490 96 H CB 0.937 30.773 29.762 0.125 0.000 1.935 96 H HN 0.024 nan 8.280 nan 0.000 0.501 97 N N 0.475 118.921 118.700 -0.423 0.000 2.237 97 N HA 0.082 4.824 4.740 0.002 0.000 0.222 97 N C -0.068 175.469 175.510 0.045 0.000 1.311 97 N CA 0.845 53.803 53.050 -0.153 0.000 0.880 97 N CB 0.389 38.764 38.487 -0.187 0.000 1.106 97 N HN 0.553 nan 8.380 nan 0.000 0.435 98 A N 1.251 124.103 122.820 0.053 0.000 2.362 98 A HA 0.365 4.686 4.320 0.002 0.000 0.276 98 A C 0.430 178.030 177.584 0.027 0.000 1.153 98 A CA -0.381 51.700 52.037 0.074 0.000 0.813 98 A CB -0.104 18.967 19.000 0.118 0.000 1.081 98 A HN 0.593 nan 8.150 nan 0.000 0.507 99 I N 4.245 124.821 120.570 0.009 0.000 2.281 99 I HA 0.118 4.289 4.170 0.002 0.000 0.293 99 I C -0.093 175.948 176.117 -0.125 0.000 1.085 99 I CA -0.346 60.887 61.300 -0.112 0.000 1.257 99 I CB 0.814 38.719 38.000 -0.158 0.000 1.430 99 I HN 0.361 nan 8.210 nan 0.000 0.489 100 V N 6.534 126.304 119.914 -0.240 0.000 3.096 100 V HA -0.073 4.048 4.120 0.002 0.000 0.306 100 V C 1.339 177.270 176.094 -0.272 0.000 1.088 100 V CA -0.297 61.818 62.300 -0.307 0.000 1.129 100 V CB 0.645 32.086 31.823 -0.638 0.000 1.014 100 V HN 0.900 nan 8.190 nan 0.000 0.486 101 W N 1.205 122.444 121.300 -0.102 0.000 2.424 101 W HA -0.150 4.511 4.660 0.002 0.000 0.264 101 W C 1.128 177.596 176.519 -0.086 0.000 1.229 101 W CA 0.726 57.980 57.345 -0.151 0.000 1.208 101 W CB -0.662 28.690 29.460 -0.180 0.000 1.127 101 W HN 0.663 nan 8.180 nan 0.000 0.588 102 Q N 0.670 120.027 119.800 -0.738 0.000 2.472 102 Q HA -0.026 4.315 4.340 0.002 0.000 0.208 102 Q C 0.262 176.045 176.000 -0.363 0.000 0.958 102 Q CA 0.362 55.757 55.803 -0.680 0.000 0.932 102 Q CB -0.169 28.019 28.738 -0.918 0.000 1.007 102 Q HN 0.074 nan 8.270 nan 0.000 0.508 103 D N 0.997 121.204 120.400 -0.322 0.000 2.424 103 D HA 0.005 4.646 4.640 0.002 0.000 0.244 103 D C 0.382 176.521 176.300 -0.269 0.000 1.134 103 D CA 0.403 54.208 54.000 -0.326 0.000 0.881 103 D CB 0.705 41.243 40.800 -0.436 0.000 1.191 103 D HN -0.015 nan 8.370 nan 0.000 0.445 104 R N 2.809 123.159 120.500 -0.250 0.000 2.748 104 R HA 0.093 4.435 4.340 0.002 0.000 0.395 104 R C 1.236 177.435 176.300 -0.169 0.000 1.128 104 R CA -0.155 55.856 56.100 -0.148 0.000 1.042 104 R CB 0.496 30.768 30.300 -0.046 0.000 1.392 104 R HN 0.494 nan 8.270 nan 0.000 0.582 105 R N -0.576 119.689 120.500 -0.391 0.000 2.123 105 R HA 0.004 4.346 4.340 0.002 0.000 0.209 105 R C 1.219 177.400 176.300 -0.199 0.000 1.078 105 R CA 1.257 57.104 56.100 -0.421 0.000 1.028 105 R CB -0.609 28.972 30.300 -1.197 0.000 0.939 105 R HN -0.028 nan 8.270 nan 0.000 0.463 106 T N -0.551 113.882 114.554 -0.201 0.000 3.400 106 T HA 0.036 4.387 4.350 0.002 0.000 0.254 106 T C 1.115 175.814 174.700 -0.002 0.000 1.153 106 T CA 0.825 62.893 62.100 -0.054 0.000 1.012 106 T CB -0.395 68.451 68.868 -0.037 0.000 0.994 106 T HN 0.215 nan 8.240 nan 0.000 0.555 107 T N 3.225 117.778 114.554 -0.001 0.000 2.580 107 T HA -0.096 4.255 4.350 0.002 0.000 0.265 107 T C -0.300 174.424 174.700 0.040 0.000 1.063 107 T CA 1.745 63.857 62.100 0.021 0.000 1.170 107 T CB -1.558 67.305 68.868 -0.009 0.000 0.863 107 T HN 0.455 nan 8.240 nan 0.000 0.418 108 P HA -0.133 nan 4.420 nan 0.000 0.217 108 P C 1.512 178.813 177.300 0.001 0.000 1.158 108 P CA 1.298 64.430 63.100 0.053 0.000 0.887 108 P CB -0.295 31.447 31.700 0.070 0.000 0.792 109 L N -0.137 121.077 121.223 -0.015 0.000 1.989 109 L HA -0.188 4.154 4.340 0.002 0.000 0.211 109 L C 3.208 179.967 176.870 -0.186 0.000 1.071 109 L CA 1.995 56.785 54.840 -0.083 0.000 0.749 109 L CB -1.965 40.057 42.059 -0.062 0.000 0.890 109 L HN 0.039 nan 8.230 nan 0.000 0.431 110 C N -0.436 118.775 119.300 -0.147 0.000 2.403 110 C HA -0.188 4.273 4.460 0.002 0.000 0.277 110 C C 2.657 177.519 174.990 -0.213 0.000 1.248 110 C CA 0.825 59.712 59.018 -0.219 0.000 1.762 110 C CB -1.075 26.681 27.740 0.028 0.000 2.014 110 C HN 0.567 nan 8.230 nan 0.000 0.486 111 E N 1.122 121.277 120.200 -0.075 0.000 2.072 111 E HA -0.123 4.229 4.350 0.002 0.000 0.191 111 E C 2.446 178.995 176.600 -0.085 0.000 0.985 111 E CA 1.299 57.684 56.400 -0.025 0.000 0.801 111 E CB -0.327 29.401 29.700 0.047 0.000 0.750 111 E HN 0.696 nan 8.360 nan 0.000 0.452 112 A N 1.758 124.508 122.820 -0.115 0.000 1.845 112 A HA -0.169 4.153 4.320 0.002 0.000 0.215 112 A C 2.276 179.739 177.584 -0.202 0.000 1.195 112 A CA 1.162 53.126 52.037 -0.122 0.000 0.616 112 A CB -0.908 18.027 19.000 -0.108 0.000 0.832 112 A HN 0.125 nan 8.150 nan 0.000 0.443 113 L N -0.895 120.102 121.223 -0.376 0.000 2.129 113 L HA -0.233 4.108 4.340 0.002 0.000 0.212 113 L C 2.743 179.343 176.870 -0.451 0.000 1.087 113 L CA 1.871 56.368 54.840 -0.572 0.000 0.757 113 L CB -0.377 40.953 42.059 -1.215 0.000 0.896 113 L HN 0.493 nan 8.230 nan 0.000 0.434 114 R N -0.017 120.273 120.500 -0.349 0.000 2.092 114 R HA -0.141 4.201 4.340 0.002 0.000 0.231 114 R C 2.297 178.601 176.300 0.006 0.000 1.119 114 R CA 1.292 57.376 56.100 -0.028 0.000 0.970 114 R CB -0.226 30.101 30.300 0.045 0.000 0.864 114 R HN 0.326 nan 8.270 nan 0.000 0.440 115 A N 1.137 123.934 122.820 -0.037 0.000 1.898 115 A HA -0.132 4.189 4.320 0.002 0.000 0.216 115 A C 1.745 179.326 177.584 -0.006 0.000 1.181 115 A CA 1.484 53.513 52.037 -0.013 0.000 0.620 115 A CB -0.304 18.682 19.000 -0.024 0.000 0.819 115 A HN 0.360 nan 8.150 nan 0.000 0.442 116 K N -1.018 119.367 120.400 -0.025 0.000 2.585 116 K HA 0.077 4.398 4.320 0.002 0.000 0.194 116 K C 1.097 177.717 176.600 0.034 0.000 1.037 116 K CA 0.497 56.782 56.287 -0.004 0.000 0.964 116 K CB -0.337 32.149 32.500 -0.023 0.000 0.787 116 K HN 0.741 nan 8.250 nan 0.000 0.488 117 G N 1.117 109.950 108.800 0.054 0.000 2.143 117 G HA2 -0.268 3.693 3.960 0.002 0.000 0.249 117 G HA3 -0.268 3.693 3.960 0.002 0.000 0.249 117 G C 0.622 175.602 174.900 0.134 0.000 0.981 117 G CA 0.063 45.211 45.100 0.081 0.000 0.665 117 G HN 0.277 nan 8.290 nan 0.000 0.528 118 L N -0.261 121.078 121.223 0.194 0.000 2.395 118 L HA 0.126 4.467 4.340 0.002 0.000 0.218 118 L C 2.481 179.583 176.870 0.386 0.000 1.130 118 L CA 1.295 56.323 54.840 0.314 0.000 0.826 118 L CB -0.155 42.110 42.059 0.342 0.000 0.941 118 L HN 0.414 nan 8.230 nan 0.000 0.451 119 E N 1.293 121.733 120.200 0.401 0.000 2.070 119 E HA -0.214 4.137 4.350 0.002 0.000 0.197 119 E C -0.643 175.949 176.600 -0.013 0.000 1.004 119 E CA 1.792 58.284 56.400 0.153 0.000 0.805 119 E CB -0.745 29.084 29.700 0.214 0.000 0.744 119 E HN 0.256 nan 8.360 nan 0.000 0.451 120 P HA -0.139 nan 4.420 nan 0.000 0.216 120 P C 1.434 178.736 177.300 0.004 0.000 1.150 120 P CA 0.902 64.009 63.100 0.013 0.000 0.837 120 P CB -0.090 31.624 31.700 0.022 0.000 0.786 121 L N -1.958 119.308 121.223 0.071 0.000 2.131 121 L HA -0.063 4.279 4.340 0.002 0.000 0.210 121 L C 2.070 178.885 176.870 -0.091 0.000 1.092 121 L CA 1.774 56.624 54.840 0.016 0.000 0.759 121 L CB -1.064 41.053 42.059 0.096 0.000 0.903 121 L HN -0.150 nan 8.230 nan 0.000 0.435 122 F N -1.095 118.721 119.950 -0.224 0.000 2.387 122 F HA 0.042 4.570 4.527 0.002 0.000 0.294 122 F C 2.615 178.226 175.800 -0.314 0.000 1.093 122 F CA 0.727 58.540 58.000 -0.312 0.000 1.420 122 F CB -0.120 38.550 39.000 -0.549 0.000 1.086 122 F HN -0.057 nan 8.300 nan 0.000 0.531 123 R N 0.502 120.924 120.500 -0.130 0.000 2.189 123 R HA -0.085 4.256 4.340 0.002 0.000 0.218 123 R C 1.041 177.269 176.300 -0.121 0.000 1.074 123 R CA 1.116 57.124 56.100 -0.153 0.000 0.991 123 R CB 0.018 30.233 30.300 -0.141 0.000 0.883 123 R HN 0.085 nan 8.270 nan 0.000 0.457 124 E N -0.932 119.195 120.200 -0.122 0.000 2.481 124 E HA 0.115 4.466 4.350 0.002 0.000 0.198 124 E C 1.074 177.569 176.600 -0.176 0.000 1.027 124 E CA 0.053 56.377 56.400 -0.127 0.000 0.900 124 E CB 0.586 30.211 29.700 -0.125 0.000 0.993 124 E HN 0.111 nan 8.360 nan 0.000 0.482 125 R N -1.055 119.332 120.500 -0.190 0.000 2.197 125 R HA 0.113 4.454 4.340 0.002 0.000 0.188 125 R C 1.780 177.999 176.300 -0.136 0.000 1.015 125 R CA 1.604 57.575 56.100 -0.214 0.000 1.132 125 R CB -0.214 29.888 30.300 -0.329 0.000 1.134 125 R HN 0.223 nan 8.270 nan 0.000 0.560 126 T N -2.389 112.068 114.554 -0.162 0.000 3.086 126 T HA 0.152 4.503 4.350 0.002 0.000 0.250 126 T C 1.294 175.931 174.700 -0.105 0.000 1.074 126 T CA 0.692 62.729 62.100 -0.105 0.000 0.988 126 T CB 0.541 69.340 68.868 -0.116 0.000 0.988 126 T HN 0.424 nan 8.240 nan 0.000 0.530 127 G N 1.282 110.012 108.800 -0.116 0.000 2.187 127 G HA2 -0.245 3.716 3.960 0.002 0.000 0.261 127 G HA3 -0.245 3.716 3.960 0.002 0.000 0.261 127 G C 0.138 174.954 174.900 -0.140 0.000 1.000 127 G CA 1.014 46.050 45.100 -0.106 0.000 0.718 127 G HN 0.615 nan 8.290 nan 0.000 0.519 128 L N -1.702 119.370 121.223 -0.252 0.000 2.836 128 L HA 0.935 5.276 4.340 0.002 0.000 0.216 128 L C 0.657 177.267 176.870 -0.435 0.000 1.861 128 L CA -0.901 53.672 54.840 -0.445 0.000 2.145 128 L CB 0.424 41.909 42.059 -0.956 0.000 2.671 128 L HN 0.408 nan 8.230 nan 0.000 0.594 129 L N -3.152 117.722 121.223 -0.581 0.000 2.999 129 L HA 0.476 4.818 4.340 0.002 0.000 0.274 129 L C -1.423 175.260 176.870 -0.312 0.000 1.044 129 L CA -0.597 53.980 54.840 -0.437 0.000 0.943 129 L CB 0.741 42.584 42.059 -0.361 0.000 1.522 129 L HN 0.034 nan 8.230 nan 0.000 0.400 130 F N 0.994 120.893 119.950 -0.084 0.000 2.438 130 F HA 0.658 5.186 4.527 0.002 0.000 0.360 130 F C 0.171 176.033 175.800 0.103 0.000 1.118 130 F CA 0.238 58.225 58.000 -0.022 0.000 1.164 130 F CB 0.285 39.242 39.000 -0.072 0.000 1.131 130 F HN 0.703 nan 8.300 nan 0.000 0.527 131 D N 3.698 124.358 120.400 0.434 0.000 2.706 131 D HA 0.326 4.968 4.640 0.002 0.000 0.225 131 D C -2.436 174.062 176.300 0.329 0.000 1.241 131 D CA -1.590 52.635 54.000 0.375 0.000 0.784 131 D CB 2.348 43.391 40.800 0.405 0.000 1.521 131 D HN 0.016 nan 8.370 nan 0.000 0.461 132 P HA -0.044 nan 4.420 nan 0.000 0.240 132 P C 0.035 177.387 177.300 0.085 0.000 1.186 132 P CA 0.515 63.667 63.100 0.087 0.000 0.755 132 P CB -0.084 31.620 31.700 0.006 0.000 0.870 133 Y N 0.227 120.510 120.300 -0.027 0.000 2.159 133 Y HA 0.074 4.625 4.550 0.002 0.000 0.285 133 Y C 0.938 176.763 175.900 -0.126 0.000 1.106 133 Y CA 0.279 58.281 58.100 -0.164 0.000 1.095 133 Y CB -0.968 37.321 38.460 -0.284 0.000 1.015 133 Y HN -0.263 nan 8.280 nan 0.000 0.491 134 F N 0.997 120.996 119.950 0.081 0.000 2.586 134 F HA 0.014 4.543 4.527 0.002 0.000 0.344 134 F C 1.992 177.787 175.800 -0.007 0.000 1.188 134 F CA 0.678 58.654 58.000 -0.041 0.000 1.359 134 F CB 0.247 39.286 39.000 0.065 0.000 1.129 134 F HN 0.078 nan 8.300 nan 0.000 0.609 135 S N -0.067 115.755 115.700 0.203 0.000 2.489 135 S HA 0.003 4.475 4.470 0.002 0.000 0.228 135 S C 2.116 176.772 174.600 0.094 0.000 0.995 135 S CA 0.291 58.572 58.200 0.134 0.000 0.934 135 S CB -0.929 62.385 63.200 0.189 0.000 0.771 135 S HN 0.869 nan 8.310 nan 0.000 0.522 136 G N 2.997 111.883 108.800 0.144 0.000 2.586 136 G HA2 -0.333 3.628 3.960 0.002 0.000 0.218 136 G HA3 -0.333 3.628 3.960 0.002 0.000 0.218 136 G C 1.708 176.643 174.900 0.060 0.000 1.216 136 G CA 2.177 47.338 45.100 0.101 0.000 0.786 136 G HN 0.689 nan 8.290 nan 0.000 0.583 137 T N -0.841 113.765 114.554 0.088 0.000 2.915 137 T HA 0.033 4.384 4.350 0.002 0.000 0.269 137 T C 2.114 176.841 174.700 0.044 0.000 1.071 137 T CA 1.495 63.626 62.100 0.052 0.000 1.132 137 T CB -0.208 68.691 68.868 0.052 0.000 0.878 137 T HN 0.361 nan 8.240 nan 0.000 0.479 138 K N 0.281 120.697 120.400 0.027 0.000 2.211 138 K HA -0.015 4.307 4.320 0.002 0.000 0.204 138 K C 2.028 178.652 176.600 0.040 0.000 1.047 138 K CA 1.075 57.355 56.287 -0.012 0.000 0.935 138 K CB -0.309 32.183 32.500 -0.014 0.000 0.728 138 K HN 0.252 nan 8.250 nan 0.000 0.452 139 L N 0.388 121.619 121.223 0.013 0.000 2.084 139 L HA -0.079 4.262 4.340 0.002 0.000 0.202 139 L C 2.005 178.881 176.870 0.010 0.000 1.074 139 L CA 1.267 56.093 54.840 -0.023 0.000 0.757 139 L CB -0.449 41.505 42.059 -0.176 0.000 0.918 139 L HN -0.164 nan 8.230 nan 0.000 0.444 140 V N -0.693 119.223 119.914 0.005 0.000 2.317 140 V HA -0.358 3.763 4.120 0.002 0.000 0.251 140 V C 2.204 178.313 176.094 0.026 0.000 1.065 140 V CA 2.373 64.671 62.300 -0.002 0.000 1.049 140 V CB -0.971 30.850 31.823 -0.002 0.000 0.651 140 V HN 0.768 nan 8.190 nan 0.000 0.450 141 W N 0.343 121.579 121.300 -0.106 0.000 2.329 141 W HA -0.226 4.435 4.660 0.002 0.000 0.324 141 W C 2.275 178.717 176.519 -0.130 0.000 1.222 141 W CA 2.090 59.365 57.345 -0.117 0.000 1.270 141 W CB -0.467 28.899 29.460 -0.155 0.000 1.167 141 W HN 0.147 nan 8.180 nan 0.000 0.467 142 L N 0.237 121.619 121.223 0.265 0.000 2.042 142 L HA -0.211 4.130 4.340 0.002 0.000 0.210 142 L C 2.223 179.002 176.870 -0.151 0.000 1.076 142 L CA 0.932 55.783 54.840 0.019 0.000 0.749 142 L CB -1.096 41.041 42.059 0.130 0.000 0.893 142 L HN 0.074 nan 8.230 nan 0.000 0.432 143 L N -0.530 120.636 121.223 -0.095 0.000 2.713 143 L HA 0.006 4.348 4.340 0.002 0.000 0.245 143 L C 0.910 177.695 176.870 -0.141 0.000 1.169 143 L CA 1.304 56.078 54.840 -0.109 0.000 0.962 143 L CB -0.612 41.396 42.059 -0.085 0.000 1.161 143 L HN 0.246 nan 8.230 nan 0.000 0.427 144 E N -2.401 117.669 120.200 -0.218 0.000 2.594 144 E HA 0.073 4.424 4.350 0.002 0.000 0.173 144 E C 0.627 177.025 176.600 -0.337 0.000 0.905 144 E CA 0.014 56.279 56.400 -0.225 0.000 1.344 144 E CB 0.238 29.830 29.700 -0.179 0.000 1.156 144 E HN 0.407 nan 8.360 nan 0.000 0.578 145 N N 0.020 118.416 118.700 -0.507 0.000 2.559 145 N HA 0.081 4.823 4.740 0.002 0.000 0.247 145 N C 0.407 175.625 175.510 -0.487 0.000 1.063 145 N CA 0.307 52.954 53.050 -0.672 0.000 0.876 145 N CB 1.325 38.917 38.487 -1.493 0.000 1.608 145 N HN -0.166 nan 8.380 nan 0.000 0.467 146 V N 4.431 124.063 119.914 -0.469 0.000 2.720 146 V HA -0.055 4.066 4.120 0.002 0.000 0.307 146 V C -1.068 174.941 176.094 -0.143 0.000 1.071 146 V CA -0.447 61.711 62.300 -0.236 0.000 1.199 146 V CB 0.517 32.236 31.823 -0.173 0.000 0.900 146 V HN 0.247 nan 8.190 nan 0.000 0.494 147 P HA -0.232 nan 4.420 nan 0.000 0.223 147 P C 0.859 178.124 177.300 -0.058 0.000 1.073 147 P CA 2.291 65.362 63.100 -0.047 0.000 1.008 147 P CB 0.073 31.767 31.700 -0.009 0.000 0.760 148 G N -2.768 106.003 108.800 -0.049 0.000 5.077 148 G HA2 0.250 4.211 3.960 0.002 0.000 0.230 148 G HA3 0.250 4.211 3.960 0.002 0.000 0.230 148 G C 0.360 175.230 174.900 -0.049 0.000 0.924 148 G CA -0.151 44.920 45.100 -0.049 0.000 0.770 148 G HN 0.269 nan 8.290 nan 0.000 0.512 149 L N 0.075 121.259 121.223 -0.065 0.000 2.418 149 L HA 0.390 4.731 4.340 0.002 0.000 0.218 149 L C 2.242 179.072 176.870 -0.067 0.000 1.125 149 L CA 1.487 56.291 54.840 -0.060 0.000 0.835 149 L CB 0.056 42.074 42.059 -0.069 0.000 0.953 149 L HN 0.212 nan 8.230 nan 0.000 0.454 150 K N -0.470 119.884 120.400 -0.076 0.000 2.366 150 K HA 0.005 4.327 4.320 0.002 0.000 0.198 150 K C 1.676 178.241 176.600 -0.059 0.000 1.044 150 K CA 0.930 57.173 56.287 -0.074 0.000 0.973 150 K CB 0.070 32.522 32.500 -0.080 0.000 0.767 150 K HN 0.438 nan 8.250 nan 0.000 0.475 151 A N 1.011 123.801 122.820 -0.050 0.000 1.911 151 A HA 0.030 4.352 4.320 0.002 0.000 0.212 151 A C 2.033 179.595 177.584 -0.037 0.000 1.189 151 A CA 0.376 52.389 52.037 -0.041 0.000 0.639 151 A CB -0.345 18.635 19.000 -0.034 0.000 0.839 151 A HN 0.253 nan 8.150 nan 0.000 0.449 152 R N -0.167 120.312 120.500 -0.034 0.000 2.134 152 R HA -0.212 4.129 4.340 0.002 0.000 0.248 152 R C 1.687 177.964 176.300 -0.039 0.000 1.143 152 R CA 1.640 57.723 56.100 -0.029 0.000 0.957 152 R CB -0.345 29.941 30.300 -0.024 0.000 0.867 152 R HN 0.449 nan 8.270 nan 0.000 0.441 153 A N 0.263 123.052 122.820 -0.052 0.000 2.412 153 A HA 0.039 4.361 4.320 0.002 0.000 0.253 153 A C 0.848 178.393 177.584 -0.064 0.000 1.334 153 A CA 0.199 52.197 52.037 -0.066 0.000 0.929 153 A CB 0.044 18.997 19.000 -0.078 0.000 0.983 153 A HN 0.242 nan 8.150 nan 0.000 0.508 154 E N -0.865 119.304 120.200 -0.052 0.000 2.415 154 E HA 0.021 4.372 4.350 0.002 0.000 0.197 154 E C 1.678 178.251 176.600 -0.044 0.000 1.007 154 E CA 0.926 57.297 56.400 -0.049 0.000 0.890 154 E CB 0.247 29.922 29.700 -0.041 0.000 0.891 154 E HN 0.558 nan 8.360 nan 0.000 0.496 155 G N -0.263 108.513 108.800 -0.041 0.000 2.850 155 G HA2 0.267 4.228 3.960 0.002 0.000 0.211 155 G HA3 0.267 4.228 3.960 0.002 0.000 0.211 155 G C 1.080 175.956 174.900 -0.039 0.000 1.124 155 G CA 0.403 45.482 45.100 -0.034 0.000 0.769 155 G HN 0.348 nan 8.290 nan 0.000 0.535 156 G N -0.825 107.945 108.800 -0.051 0.000 2.192 156 G HA2 -0.096 3.866 3.960 0.002 0.000 0.193 156 G HA3 -0.096 3.866 3.960 0.002 0.000 0.193 156 G C 1.311 176.177 174.900 -0.056 0.000 0.999 156 G CA 0.473 45.535 45.100 -0.063 0.000 0.659 156 G HN 0.962 nan 8.290 nan 0.000 0.503 157 G N -0.254 108.525 108.800 -0.036 0.000 2.470 157 G HA2 0.287 4.248 3.960 0.002 0.000 0.220 157 G HA3 0.287 4.248 3.960 0.002 0.000 0.220 157 G C 0.763 175.642 174.900 -0.034 0.000 1.121 157 G CA 1.492 46.583 45.100 -0.014 0.000 0.766 157 G HN 1.076 nan 8.290 nan 0.000 0.553 158 V N 0.054 119.919 119.914 -0.081 0.000 2.630 158 V HA 0.763 4.885 4.120 0.002 0.000 0.305 158 V C 0.036 175.983 176.094 -0.245 0.000 1.046 158 V CA -0.672 61.543 62.300 -0.142 0.000 0.934 158 V CB 1.582 33.332 31.823 -0.121 0.000 1.003 158 V HN 0.339 nan 8.190 nan 0.000 0.451 159 A N 3.319 125.869 122.820 -0.450 0.000 2.374 159 A HA 0.818 5.140 4.320 0.002 0.000 0.305 159 A C -1.071 175.985 177.584 -0.880 0.000 1.053 159 A CA -0.441 51.237 52.037 -0.597 0.000 0.726 159 A CB 1.173 19.780 19.000 -0.655 0.000 1.229 159 A HN 0.829 nan 8.150 nan 0.000 0.431 160 F N 2.344 121.952 119.950 -0.570 0.000 2.380 160 F HA 0.823 5.351 4.527 0.002 0.000 0.321 160 F C 0.375 175.884 175.800 -0.485 0.000 1.103 160 F CA -0.023 57.663 58.000 -0.523 0.000 1.067 160 F CB 1.622 40.485 39.000 -0.227 0.000 1.265 160 F HN 0.996 nan 8.300 nan 0.000 0.517 161 G N 1.260 108.934 108.800 -1.876 0.000 2.498 161 G HA2 0.427 4.388 3.960 0.002 0.000 0.301 161 G HA3 0.427 4.388 3.960 0.002 0.000 0.301 161 G C -1.456 173.108 174.900 -0.560 0.000 1.577 161 G CA -0.479 43.873 45.100 -1.246 0.000 0.868 161 G HN 0.859 nan 8.290 nan 0.000 0.599 162 T N -0.212 114.154 114.554 -0.313 0.000 2.882 162 T HA 0.368 4.719 4.350 0.002 0.000 0.287 162 T C 1.701 176.484 174.700 0.138 0.000 1.014 162 T CA -0.195 61.928 62.100 0.039 0.000 1.049 162 T CB 1.760 70.692 68.868 0.107 0.000 1.001 162 T HN 0.732 nan 8.240 nan 0.000 0.525 163 V N 1.803 121.828 119.914 0.184 0.000 2.909 163 V HA -0.218 3.904 4.120 0.002 0.000 0.265 163 V C 2.459 178.668 176.094 0.191 0.000 1.128 163 V CA 2.200 64.644 62.300 0.238 0.000 1.149 163 V CB -1.189 30.776 31.823 0.237 0.000 0.725 163 V HN 1.047 nan 8.190 nan 0.000 0.511 164 D N -0.805 119.670 120.400 0.126 0.000 2.144 164 D HA -0.134 4.507 4.640 0.002 0.000 0.207 164 D C 1.906 178.255 176.300 0.082 0.000 0.970 164 D CA 1.610 55.649 54.000 0.065 0.000 0.853 164 D CB -0.567 40.244 40.800 0.019 0.000 1.007 164 D HN 0.366 nan 8.370 nan 0.000 0.469 165 T N 0.104 114.727 114.554 0.115 0.000 2.849 165 T HA -0.140 4.212 4.350 0.002 0.000 0.270 165 T C 1.378 176.212 174.700 0.224 0.000 1.066 165 T CA 0.992 63.171 62.100 0.131 0.000 1.130 165 T CB -0.607 68.259 68.868 -0.003 0.000 0.864 165 T HN 0.389 nan 8.240 nan 0.000 0.481 166 W N 1.264 122.556 121.300 -0.013 0.000 2.388 166 W HA -0.060 4.601 4.660 0.002 0.000 0.294 166 W C 1.490 177.821 176.519 -0.314 0.000 1.212 166 W CA 0.510 57.678 57.345 -0.295 0.000 1.271 166 W CB -0.209 29.084 29.460 -0.279 0.000 1.126 166 W HN 0.236 nan 8.180 nan 0.000 0.535 167 L N 0.281 121.347 121.223 -0.262 0.000 2.027 167 L HA -0.253 4.088 4.340 0.002 0.000 0.206 167 L C 2.430 179.037 176.870 -0.440 0.000 1.074 167 L CA 0.961 55.495 54.840 -0.509 0.000 0.745 167 L CB -1.015 40.907 42.059 -0.228 0.000 0.898 167 L HN -0.109 nan 8.230 nan 0.000 0.433 168 I N -0.622 119.857 120.570 -0.153 0.000 2.145 168 I HA -0.373 3.798 4.170 0.002 0.000 0.244 168 I C 2.240 178.288 176.117 -0.116 0.000 1.075 168 I CA 1.679 62.955 61.300 -0.039 0.000 1.332 168 I CB -0.656 37.443 38.000 0.165 0.000 1.033 168 I HN 0.412 nan 8.210 nan 0.000 0.410 169 W N 1.878 122.991 121.300 -0.311 0.000 2.260 169 W HA -0.312 4.349 4.660 0.002 0.000 0.326 169 W C 2.366 178.540 176.519 -0.575 0.000 1.229 169 W CA 2.021 59.155 57.345 -0.352 0.000 1.190 169 W CB -0.879 28.334 29.460 -0.411 0.000 1.177 169 W HN 0.201 nan 8.180 nan 0.000 0.457 170 N N 0.887 119.095 118.700 -0.821 0.000 2.314 170 N HA -0.217 4.524 4.740 0.002 0.000 0.191 170 N C 1.602 176.663 175.510 -0.747 0.000 1.007 170 N CA 1.930 54.299 53.050 -1.134 0.000 0.883 170 N CB -0.708 36.257 38.487 -2.537 0.000 0.969 170 N HN 0.371 nan 8.380 nan 0.000 0.441 171 L N -0.085 120.786 121.223 -0.588 0.000 2.529 171 L HA 0.052 4.394 4.340 0.002 0.000 0.223 171 L C 1.039 177.798 176.870 -0.185 0.000 1.113 171 L CA 0.795 55.478 54.840 -0.262 0.000 0.861 171 L CB 0.028 41.974 42.059 -0.189 0.000 1.012 171 L HN 0.166 nan 8.230 nan 0.000 0.461 172 T N -4.439 109.947 114.554 -0.279 0.000 3.460 172 T HA 0.247 4.598 4.350 0.002 0.000 0.304 172 T C 1.074 175.550 174.700 -0.374 0.000 0.991 172 T CA 0.133 62.085 62.100 -0.246 0.000 0.975 172 T CB 0.455 69.212 68.868 -0.185 0.000 1.196 172 T HN 0.229 nan 8.240 nan 0.000 0.490 173 G N 0.920 109.456 108.800 -0.441 0.000 2.424 173 G HA2 0.119 4.081 3.960 0.002 0.000 0.290 173 G HA3 0.119 4.081 3.960 0.002 0.000 0.290 173 G C 1.296 175.762 174.900 -0.724 0.000 0.912 173 G CA 0.600 45.400 45.100 -0.501 0.000 1.142 173 G HN 1.914 nan 8.290 nan 0.000 0.501 174 G N -1.053 106.897 108.800 -1.417 0.000 2.217 174 G HA2 -0.337 3.625 3.960 0.002 0.000 0.246 174 G HA3 -0.337 3.625 3.960 0.002 0.000 0.246 174 G C 1.338 175.819 174.900 -0.699 0.000 0.990 174 G CA 1.266 45.352 45.100 -1.688 0.000 0.627 174 G HN 0.869 nan 8.290 nan 0.000 0.522 175 K N -0.295 119.840 120.400 -0.441 0.000 1.971 175 K HA 0.133 4.454 4.320 0.002 0.000 0.221 175 K C 1.401 177.947 176.600 -0.090 0.000 1.050 175 K CA 1.765 57.934 56.287 -0.198 0.000 0.967 175 K CB -0.242 32.164 32.500 -0.156 0.000 0.733 175 K HN 0.601 nan 8.250 nan 0.000 0.445 176 V N 1.816 121.692 119.914 -0.064 0.000 2.427 176 V HA 0.132 4.253 4.120 0.002 0.000 0.286 176 V C -1.101 175.122 176.094 0.215 0.000 1.034 176 V CA -0.583 61.745 62.300 0.047 0.000 0.893 176 V CB 1.261 33.085 31.823 0.002 0.000 0.982 176 V HN 0.351 nan 8.190 nan 0.000 0.452 177 H N 6.449 125.641 119.070 0.203 0.000 2.866 177 H HA 0.788 5.345 4.556 0.002 0.000 0.287 177 H C -0.583 174.886 175.328 0.235 0.000 1.106 177 H CA 0.479 56.742 56.048 0.359 0.000 1.396 177 H CB 1.224 31.265 29.762 0.465 0.000 1.469 177 H HN 1.009 nan 8.280 nan 0.000 0.500 178 A N 3.032 125.948 122.820 0.159 0.000 2.493 178 A HA 0.615 4.937 4.320 0.002 0.000 0.300 178 A C -1.151 176.635 177.584 0.338 0.000 1.152 178 A CA -0.305 51.857 52.037 0.209 0.000 0.643 178 A CB 1.861 20.880 19.000 0.032 0.000 1.316 178 A HN 0.505 nan 8.150 nan 0.000 0.469 179 T N -0.201 114.597 114.554 0.406 0.000 2.853 179 T HA 0.512 4.864 4.350 0.002 0.000 0.311 179 T C -1.863 173.045 174.700 0.347 0.000 1.307 179 T CA -0.003 62.317 62.100 0.367 0.000 1.019 179 T CB 1.387 70.380 68.868 0.209 0.000 1.264 179 T HN 1.075 nan 8.240 nan 0.000 0.497 180 D N 2.535 123.028 120.400 0.156 0.000 2.329 180 D HA 0.281 4.923 4.640 0.002 0.000 0.246 180 D C -1.766 174.463 176.300 -0.119 0.000 1.111 180 D CA -1.449 52.590 54.000 0.065 0.000 0.941 180 D CB 1.355 42.117 40.800 -0.064 0.000 1.169 180 D HN 0.177 nan 8.370 nan 0.000 0.441 181 P HA -0.243 nan 4.420 nan 0.000 0.214 181 P C 1.715 178.641 177.300 -0.623 0.000 1.169 181 P CA 3.031 65.829 63.100 -0.502 0.000 0.908 181 P CB -0.386 31.184 31.700 -0.217 0.000 0.791 182 T N -2.383 111.980 114.554 -0.318 0.000 2.570 182 T HA -0.264 4.087 4.350 0.002 0.000 0.266 182 T C 1.811 176.377 174.700 -0.224 0.000 1.071 182 T CA 1.850 63.807 62.100 -0.237 0.000 1.172 182 T CB -1.629 67.164 68.868 -0.125 0.000 0.864 182 T HN -0.033 nan 8.240 nan 0.000 0.421 183 N N 1.900 120.503 118.700 -0.162 0.000 2.503 183 N HA -0.027 4.714 4.740 0.002 0.000 0.189 183 N C 1.738 177.188 175.510 -0.099 0.000 1.048 183 N CA 1.265 54.259 53.050 -0.093 0.000 0.905 183 N CB -0.413 38.045 38.487 -0.047 0.000 0.951 183 N HN 0.768 nan 8.380 nan 0.000 0.446 184 A N -1.006 121.642 122.820 -0.286 0.000 2.085 184 A HA 0.074 4.396 4.320 0.002 0.000 0.208 184 A C 2.161 179.481 177.584 -0.441 0.000 1.191 184 A CA 0.676 52.487 52.037 -0.377 0.000 0.799 184 A CB -0.338 18.229 19.000 -0.723 0.000 0.877 184 A HN 0.256 nan 8.150 nan 0.000 0.473 185 S N 0.208 115.568 115.700 -0.567 0.000 2.419 185 S HA -0.135 4.336 4.470 0.002 0.000 0.233 185 S C 1.340 175.927 174.600 -0.021 0.000 1.016 185 S CA 0.896 58.940 58.200 -0.259 0.000 0.974 185 S CB -0.293 62.797 63.200 -0.183 0.000 0.786 185 S HN 0.403 nan 8.310 nan 0.000 0.492 186 R N 1.538 122.044 120.500 0.009 0.000 2.547 186 R HA 0.295 4.636 4.340 0.002 0.000 0.258 186 R C -0.120 176.316 176.300 0.226 0.000 1.115 186 R CA 0.073 56.278 56.100 0.175 0.000 1.152 186 R CB -1.182 29.196 30.300 0.129 0.000 1.221 186 R HN 0.242 nan 8.270 nan 0.000 0.539 187 T N 0.215 114.858 114.554 0.148 0.000 2.848 187 T HA 0.232 4.583 4.350 0.002 0.000 0.285 187 T C 0.905 175.699 174.700 0.158 0.000 0.995 187 T CA -0.573 61.647 62.100 0.200 0.000 0.970 187 T CB 1.339 70.362 68.868 0.259 0.000 0.976 187 T HN -0.049 nan 8.240 nan 0.000 0.441 188 L N 4.503 125.819 121.223 0.155 0.000 2.349 188 L HA 0.066 4.407 4.340 0.002 0.000 0.220 188 L C 1.901 178.930 176.870 0.265 0.000 1.130 188 L CA 1.545 56.484 54.840 0.166 0.000 0.791 188 L CB -0.511 41.673 42.059 0.209 0.000 0.918 188 L HN 0.697 nan 8.230 nan 0.000 0.444 189 L N -3.185 118.209 121.223 0.284 0.000 2.202 189 L HA -0.018 4.324 4.340 0.002 0.000 0.205 189 L C 0.869 177.895 176.870 0.260 0.000 1.083 189 L CA -0.194 54.838 54.840 0.319 0.000 0.790 189 L CB -0.391 41.961 42.059 0.488 0.000 0.942 189 L HN -0.006 nan 8.230 nan 0.000 0.452 190 F N 2.653 122.626 119.950 0.039 0.000 2.602 190 F HA -0.003 4.525 4.527 0.002 0.000 0.385 190 F C 0.793 176.516 175.800 -0.127 0.000 1.063 190 F CA -0.233 57.658 58.000 -0.181 0.000 1.233 190 F CB 0.082 38.878 39.000 -0.340 0.000 1.067 190 F HN 0.011 nan 8.300 nan 0.000 0.564 191 N N 5.377 123.699 118.700 -0.630 0.000 2.479 191 N HA 0.159 4.900 4.740 0.002 0.000 0.285 191 N C 0.156 175.396 175.510 -0.450 0.000 1.075 191 N CA -0.612 52.198 53.050 -0.400 0.000 0.967 191 N CB 1.173 39.464 38.487 -0.326 0.000 1.137 191 N HN 0.677 nan 8.380 nan 0.000 0.472 192 L N 1.413 122.589 121.223 -0.078 0.000 2.607 192 L HA 0.469 4.810 4.340 0.002 0.000 0.228 192 L C 0.699 177.518 176.870 -0.086 0.000 1.123 192 L CA 0.730 55.584 54.840 0.023 0.000 0.890 192 L CB -0.367 41.687 42.059 -0.010 0.000 1.103 192 L HN 0.499 nan 8.230 nan 0.000 0.468 193 H N 0.045 119.036 119.070 -0.132 0.000 2.476 193 H HA 0.142 4.699 4.556 0.002 0.000 0.292 193 H C 1.897 177.190 175.328 -0.059 0.000 1.019 193 H CA 1.621 57.619 56.048 -0.084 0.000 1.330 193 H CB 0.196 29.889 29.762 -0.116 0.000 1.451 193 H HN 0.499 nan 8.280 nan 0.000 0.535 194 T N -1.405 113.143 114.554 -0.009 0.000 3.086 194 T HA 0.154 4.506 4.350 0.002 0.000 0.250 194 T C 0.790 175.425 174.700 -0.109 0.000 1.074 194 T CA -0.094 61.974 62.100 -0.054 0.000 0.988 194 T CB -0.141 68.681 68.868 -0.077 0.000 0.988 194 T HN 0.272 nan 8.240 nan 0.000 0.530 195 L N -0.076 121.036 121.223 -0.185 0.000 3.843 195 L HA -0.174 4.167 4.340 0.002 0.000 0.411 195 L C 0.315 177.029 176.870 -0.259 0.000 1.205 195 L CA 0.344 55.100 54.840 -0.139 0.000 0.945 195 L CB -2.353 39.738 42.059 0.052 0.000 1.929 195 L HN 0.725 nan 8.230 nan 0.000 0.934 196 A N -1.908 120.577 122.820 -0.557 0.000 2.612 196 A HA 0.662 4.984 4.320 0.002 0.000 0.293 196 A C -0.965 176.337 177.584 -0.470 0.000 1.075 196 A CA -0.715 51.080 52.037 -0.404 0.000 0.680 196 A CB 0.423 19.396 19.000 -0.044 0.000 1.279 196 A HN 0.205 nan 8.150 nan 0.000 0.411 197 W N 1.207 122.385 121.300 -0.203 0.000 2.209 197 W HA 0.337 4.998 4.660 0.002 0.000 0.344 197 W C 0.426 176.856 176.519 -0.149 0.000 1.285 197 W CA 0.537 57.800 57.345 -0.138 0.000 1.267 197 W CB 0.306 29.777 29.460 0.018 0.000 1.167 197 W HN 0.617 nan 8.180 nan 0.000 0.574 198 D N 4.307 124.744 120.400 0.063 0.000 2.249 198 D HA 0.113 4.755 4.640 0.002 0.000 0.246 198 D C -0.956 175.351 176.300 0.012 0.000 1.114 198 D CA -1.989 51.997 54.000 -0.023 0.000 0.854 198 D CB 1.819 42.543 40.800 -0.126 0.000 1.132 198 D HN 0.065 nan 8.370 nan 0.000 0.461 199 P HA -0.206 nan 4.420 nan 0.000 0.215 199 P C 1.182 178.477 177.300 -0.008 0.000 1.157 199 P CA 1.170 64.269 63.100 -0.001 0.000 0.874 199 P CB 0.498 32.193 31.700 -0.009 0.000 0.790 200 E N -0.258 119.925 120.200 -0.028 0.000 2.035 200 E HA -0.224 4.127 4.350 0.002 0.000 0.204 200 E C 2.151 178.754 176.600 0.005 0.000 1.025 200 E CA 1.489 57.875 56.400 -0.023 0.000 0.835 200 E CB -0.792 28.874 29.700 -0.057 0.000 0.764 200 E HN -0.084 nan 8.360 nan 0.000 0.457 201 L N 0.638 121.832 121.223 -0.048 0.000 1.976 201 L HA -0.281 4.061 4.340 0.002 0.000 0.223 201 L C 2.614 179.570 176.870 0.143 0.000 1.081 201 L CA 1.924 56.784 54.840 0.033 0.000 0.784 201 L CB -1.069 40.921 42.059 -0.116 0.000 0.896 201 L HN 0.340 nan 8.230 nan 0.000 0.438 202 L N -0.748 120.525 121.223 0.083 0.000 2.064 202 L HA -0.314 4.027 4.340 0.002 0.000 0.216 202 L C 2.672 179.567 176.870 0.041 0.000 1.077 202 L CA 2.108 56.979 54.840 0.053 0.000 0.766 202 L CB -0.633 41.426 42.059 0.002 0.000 0.890 202 L HN 0.575 nan 8.230 nan 0.000 0.435 203 E N 0.038 120.262 120.200 0.039 0.000 2.076 203 E HA -0.166 4.185 4.350 0.002 0.000 0.190 203 E C 2.172 178.806 176.600 0.057 0.000 0.979 203 E CA 0.891 57.309 56.400 0.029 0.000 0.807 203 E CB -0.364 29.347 29.700 0.018 0.000 0.761 203 E HN 0.346 nan 8.360 nan 0.000 0.454 204 A N 1.299 124.183 122.820 0.107 0.000 2.054 204 A HA -0.156 4.165 4.320 0.002 0.000 0.223 204 A C 2.130 179.781 177.584 0.112 0.000 1.169 204 A CA 1.466 53.596 52.037 0.154 0.000 0.655 204 A CB -0.533 18.660 19.000 0.323 0.000 0.812 204 A HN 0.388 nan 8.150 nan 0.000 0.462 205 L N -2.806 118.477 121.223 0.100 0.000 2.766 205 L HA 0.283 4.625 4.340 0.002 0.000 0.242 205 L C 1.742 178.615 176.870 0.005 0.000 1.136 205 L CA 0.483 55.347 54.840 0.041 0.000 0.933 205 L CB 0.302 42.397 42.059 0.060 0.000 1.241 205 L HN 0.560 nan 8.230 nan 0.000 0.522 206 G N 1.022 109.827 108.800 0.007 0.000 2.284 206 G HA2 -0.316 3.646 3.960 0.002 0.000 0.261 206 G HA3 -0.316 3.646 3.960 0.002 0.000 0.261 206 G C 0.485 175.365 174.900 -0.033 0.000 0.997 206 G CA 0.067 45.157 45.100 -0.016 0.000 0.621 206 G HN 0.262 nan 8.290 nan 0.000 0.534 207 I N 4.092 124.640 120.570 -0.037 0.000 2.741 207 I HA 0.147 4.318 4.170 0.002 0.000 0.288 207 I C -1.165 174.906 176.117 -0.077 0.000 1.192 207 I CA -1.149 60.110 61.300 -0.069 0.000 1.426 207 I CB 0.580 38.527 38.000 -0.089 0.000 1.367 207 I HN 0.054 nan 8.210 nan 0.000 0.563 208 P HA 0.089 nan 4.420 nan 0.000 0.280 208 P C -0.365 176.858 177.300 -0.128 0.000 1.244 208 P CA -0.463 62.582 63.100 -0.092 0.000 0.784 208 P CB 1.289 32.940 31.700 -0.082 0.000 0.913 209 A N 3.077 125.817 122.820 -0.134 0.000 2.478 209 A HA 0.313 4.634 4.320 0.002 0.000 0.239 209 A C 1.414 178.896 177.584 -0.171 0.000 1.480 209 A CA 0.431 52.351 52.037 -0.195 0.000 1.308 209 A CB -1.289 17.603 19.000 -0.180 0.000 0.899 209 A HN 0.580 nan 8.150 nan 0.000 0.600 210 A N -0.488 122.246 122.820 -0.143 0.000 2.431 210 A HA 0.446 4.767 4.320 0.002 0.000 0.239 210 A C 1.050 178.556 177.584 -0.130 0.000 1.230 210 A CA 0.509 52.474 52.037 -0.121 0.000 0.928 210 A CB -0.123 18.821 19.000 -0.095 0.000 1.006 210 A HN 1.001 nan 8.150 nan 0.000 0.520 211 L N -2.876 118.271 121.223 -0.126 0.000 3.333 211 L HA 0.558 4.900 4.340 0.002 0.000 0.299 211 L C -0.698 176.202 176.870 0.050 0.000 1.256 211 L CA -0.342 54.442 54.840 -0.094 0.000 1.037 211 L CB -0.193 41.820 42.059 -0.078 0.000 1.423 211 L HN -0.058 nan 8.230 nan 0.000 0.605 212 L N 2.183 123.373 121.223 -0.056 0.000 2.305 212 L HA 0.502 4.843 4.340 0.002 0.000 0.281 212 L C -1.832 175.105 176.870 0.113 0.000 1.085 212 L CA -1.656 53.138 54.840 -0.077 0.000 0.813 212 L CB 0.598 42.213 42.059 -0.740 0.000 1.157 212 L HN -0.061 nan 8.230 nan 0.000 0.436 213 P HA 0.080 nan 4.420 nan 0.000 0.288 213 P C -0.848 176.734 177.300 0.471 0.000 1.291 213 P CA -0.467 62.919 63.100 0.477 0.000 0.766 213 P CB 0.493 32.389 31.700 0.327 0.000 1.242 214 E N -0.740 119.695 120.200 0.392 0.000 2.179 214 E HA 0.270 4.622 4.350 0.002 0.000 0.275 214 E C -0.850 175.950 176.600 0.333 0.000 0.945 214 E CA -0.732 55.869 56.400 0.335 0.000 0.792 214 E CB 0.910 30.711 29.700 0.167 0.000 1.125 214 E HN -0.034 nan 8.360 nan 0.000 0.397 215 V N 5.802 125.935 119.914 0.366 0.000 1.959 215 V HA 0.083 4.204 4.120 0.002 0.000 0.242 215 V C 0.411 176.616 176.094 0.185 0.000 1.613 215 V CA 0.400 62.861 62.300 0.268 0.000 1.566 215 V CB -1.222 30.764 31.823 0.273 0.000 1.547 215 V HN 0.509 nan 8.190 nan 0.000 0.503 216 R N 4.464 125.071 120.500 0.179 0.000 2.357 216 R HA 0.338 4.679 4.340 0.002 0.000 0.296 216 R C -2.268 174.195 176.300 0.271 0.000 1.052 216 R CA -1.755 54.438 56.100 0.155 0.000 0.988 216 R CB 1.033 31.269 30.300 -0.106 0.000 1.025 216 R HN 0.305 nan 8.270 nan 0.000 0.469 217 P HA -0.043 nan 4.420 nan 0.000 0.269 217 P C -0.087 177.313 177.300 0.166 0.000 1.217 217 P CA 0.117 63.300 63.100 0.139 0.000 0.783 217 P CB 0.682 32.437 31.700 0.090 0.000 0.898 218 S N 0.194 115.916 115.700 0.038 0.000 2.507 218 S HA -0.114 4.358 4.470 0.002 0.000 0.235 218 S C 1.213 175.762 174.600 -0.084 0.000 0.988 218 S CA 1.359 59.518 58.200 -0.068 0.000 0.944 218 S CB -0.569 62.564 63.200 -0.111 0.000 0.762 218 S HN 0.693 nan 8.310 nan 0.000 0.526 219 D N 0.553 120.940 120.400 -0.022 0.000 2.407 219 D HA 0.142 4.783 4.640 0.002 0.000 0.208 219 D C 1.024 177.361 176.300 0.062 0.000 1.083 219 D CA 0.030 54.018 54.000 -0.020 0.000 0.844 219 D CB -0.399 40.368 40.800 -0.055 0.000 0.967 219 D HN 0.270 nan 8.370 nan 0.000 0.506 220 G N 0.502 109.387 108.800 0.143 0.000 2.479 220 G HA2 0.078 4.039 3.960 0.002 0.000 0.275 220 G HA3 0.078 4.039 3.960 0.002 0.000 0.275 220 G C -0.619 174.421 174.900 0.233 0.000 1.421 220 G CA -0.245 44.957 45.100 0.170 0.000 1.059 220 G HN 0.193 nan 8.290 nan 0.000 0.535 221 D N -1.498 119.000 120.400 0.163 0.000 2.249 221 D HA 0.386 5.027 4.640 0.002 0.000 0.246 221 D C -0.807 175.556 176.300 0.105 0.000 1.114 221 D CA -0.452 53.630 54.000 0.137 0.000 0.854 221 D CB 0.600 41.426 40.800 0.043 0.000 1.132 221 D HN 0.018 nan 8.370 nan 0.000 0.461 222 F N 3.195 123.152 119.950 0.012 0.000 2.879 222 F HA 0.445 4.973 4.527 0.002 0.000 0.354 222 F C 1.083 176.883 175.800 0.001 0.000 1.291 222 F CA 0.175 58.183 58.000 0.013 0.000 1.238 222 F CB 0.692 39.698 39.000 0.009 0.000 1.005 222 F HN 0.672 nan 8.300 nan 0.000 0.508 223 G N 1.295 110.133 108.800 0.063 0.000 2.698 223 G HA2 -0.172 3.789 3.960 0.002 0.000 0.233 223 G HA3 -0.172 3.789 3.960 0.002 0.000 0.233 223 G C -0.808 174.117 174.900 0.041 0.000 1.352 223 G CA -0.728 44.390 45.100 0.030 0.000 0.879 223 G HN 0.217 nan 8.290 nan 0.000 0.567 224 E N -0.111 120.096 120.200 0.013 0.000 2.256 224 E HA 0.591 4.942 4.350 0.002 0.000 0.268 224 E C 0.581 177.179 176.600 -0.004 0.000 0.877 224 E CA -0.008 56.399 56.400 0.012 0.000 0.757 224 E CB 1.543 31.246 29.700 0.005 0.000 1.183 224 E HN 0.990 nan 8.360 nan 0.000 0.418 225 T N -0.027 114.530 114.554 0.005 0.000 2.855 225 T HA 0.152 4.503 4.350 0.002 0.000 0.322 225 T C 0.593 175.289 174.700 -0.008 0.000 1.088 225 T CA -0.504 61.595 62.100 -0.000 0.000 1.104 225 T CB 0.275 69.158 68.868 0.024 0.000 0.996 225 T HN 0.331 nan 8.240 nan 0.000 0.549 226 L N 4.159 125.376 121.223 -0.010 0.000 2.416 226 L HA 0.203 4.544 4.340 0.002 0.000 0.272 226 L C -0.596 176.273 176.870 -0.001 0.000 1.161 226 L CA -1.897 52.935 54.840 -0.013 0.000 0.845 226 L CB 0.704 42.756 42.059 -0.012 0.000 1.119 226 L HN 0.624 nan 8.230 nan 0.000 0.464 227 P HA -0.221 nan 4.420 nan 0.000 0.215 227 P C 0.946 178.240 177.300 -0.009 0.000 1.157 227 P CA 1.357 64.451 63.100 -0.009 0.000 0.868 227 P CB 0.056 31.748 31.700 -0.013 0.000 0.788 228 E N 0.696 120.891 120.200 -0.008 0.000 2.338 228 E HA -0.094 4.257 4.350 0.002 0.000 0.197 228 E C 2.111 178.704 176.600 -0.012 0.000 1.007 228 E CA 0.563 56.956 56.400 -0.011 0.000 0.849 228 E CB -1.181 28.514 29.700 -0.009 0.000 0.774 228 E HN 0.291 nan 8.360 nan 0.000 0.506 229 L N 0.071 121.295 121.223 0.003 0.000 1.961 229 L HA -0.098 4.244 4.340 0.002 0.000 0.209 229 L C 2.773 179.630 176.870 -0.022 0.000 1.075 229 L CA 1.240 56.084 54.840 0.006 0.000 0.749 229 L CB -0.393 41.709 42.059 0.072 0.000 0.890 229 L HN 0.101 nan 8.230 nan 0.000 0.433 230 L N -1.645 119.573 121.223 -0.009 0.000 2.253 230 L HA 0.153 4.494 4.340 0.002 0.000 0.205 230 L C 1.313 178.163 176.870 -0.032 0.000 1.078 230 L CA 0.901 55.727 54.840 -0.024 0.000 0.805 230 L CB -0.024 42.032 42.059 -0.004 0.000 0.963 230 L HN 0.550 nan 8.230 nan 0.000 0.459 231 G N -0.782 108.004 108.800 -0.023 0.000 2.276 231 G HA2 0.223 4.184 3.960 0.002 0.000 0.177 231 G HA3 0.223 4.184 3.960 0.002 0.000 0.177 231 G C -0.062 174.824 174.900 -0.023 0.000 1.017 231 G CA -0.200 44.884 45.100 -0.027 0.000 0.750 231 G HN 0.593 nan 8.290 nan 0.000 0.506 232 A N -0.769 122.041 122.820 -0.016 0.000 2.517 232 A HA 0.726 5.047 4.320 0.002 0.000 0.296 232 A C -3.246 174.333 177.584 -0.007 0.000 0.983 232 A CA -0.416 51.612 52.037 -0.015 0.000 0.634 232 A CB 0.753 19.740 19.000 -0.020 0.000 1.341 232 A HN 0.459 nan 8.150 nan 0.000 0.438 233 P HA 0.431 nan 4.420 nan 0.000 0.281 233 P C -0.674 176.629 177.300 0.005 0.000 1.286 233 P CA 0.187 63.286 63.100 -0.002 0.000 0.772 233 P CB 0.780 32.477 31.700 -0.005 0.000 0.862 234 V N 6.420 126.341 119.914 0.013 0.000 2.417 234 V HA 0.354 4.475 4.120 0.002 0.000 0.291 234 V C -2.292 173.819 176.094 0.029 0.000 1.024 234 V CA -2.472 59.842 62.300 0.022 0.000 0.861 234 V CB 1.775 33.617 31.823 0.030 0.000 0.985 234 V HN 0.398 nan 8.190 nan 0.000 0.436 235 P HA 0.405 nan 4.420 nan 0.000 0.281 235 P C -0.638 176.693 177.300 0.052 0.000 1.252 235 P CA -0.075 63.050 63.100 0.042 0.000 0.778 235 P CB 0.524 32.247 31.700 0.038 0.000 0.895 236 I N 4.938 125.549 120.570 0.068 0.000 2.306 236 I HA 0.292 4.464 4.170 0.002 0.000 0.288 236 I C 1.106 177.279 176.117 0.093 0.000 1.036 236 I CA -0.523 60.818 61.300 0.069 0.000 1.221 236 I CB 1.136 39.183 38.000 0.079 0.000 1.385 236 I HN 0.203 nan 8.210 nan 0.000 0.472 237 R N 4.480 125.010 120.500 0.049 0.000 2.508 237 R HA 0.367 4.709 4.340 0.002 0.000 0.300 237 R C 0.288 176.575 176.300 -0.022 0.000 0.970 237 R CA -0.254 55.879 56.100 0.054 0.000 1.102 237 R CB 0.627 30.954 30.300 0.045 0.000 1.246 237 R HN 0.639 nan 8.270 nan 0.000 0.539 238 G N 0.300 109.050 108.800 -0.084 0.000 2.723 238 G HA2 0.548 4.509 3.960 0.002 0.000 0.295 238 G HA3 0.548 4.509 3.960 0.002 0.000 0.295 238 G C -1.389 173.366 174.900 -0.242 0.000 1.464 238 G CA -0.336 44.675 45.100 -0.147 0.000 1.012 238 G HN -0.054 nan 8.290 nan 0.000 0.522 239 V N 2.910 122.617 119.914 -0.344 0.000 2.711 239 V HA 0.754 4.876 4.120 0.002 0.000 0.304 239 V C -1.075 174.867 176.094 -0.255 0.000 1.097 239 V CA -0.661 61.414 62.300 -0.374 0.000 0.906 239 V CB 1.848 33.226 31.823 -0.742 0.000 1.015 239 V HN 0.889 nan 8.190 nan 0.000 0.427 240 L N 3.748 124.881 121.223 -0.150 0.000 2.643 240 L HA 0.797 5.138 4.340 0.002 0.000 0.256 240 L C 0.190 177.030 176.870 -0.051 0.000 0.931 240 L CA 0.211 54.995 54.840 -0.094 0.000 0.895 240 L CB 1.954 43.969 42.059 -0.074 0.000 1.430 240 L HN 0.779 nan 8.230 nan 0.000 0.419 241 G N 2.182 110.953 108.800 -0.048 0.000 2.272 241 G HA2 0.232 4.193 3.960 0.002 0.000 0.247 241 G HA3 0.232 4.193 3.960 0.002 0.000 0.247 241 G C 0.638 175.518 174.900 -0.032 0.000 1.272 241 G CA 0.443 45.515 45.100 -0.046 0.000 0.921 241 G HN 0.971 nan 8.290 nan 0.000 0.495 242 D N 2.465 122.844 120.400 -0.035 0.000 2.204 242 D HA -0.303 4.338 4.640 0.002 0.000 0.189 242 D C 1.894 178.185 176.300 -0.015 0.000 1.006 242 D CA 1.856 55.847 54.000 -0.015 0.000 0.855 242 D CB -0.230 40.556 40.800 -0.023 0.000 0.946 242 D HN 0.384 nan 8.370 nan 0.000 0.448 243 Q N 0.043 119.787 119.800 -0.093 0.000 2.030 243 Q HA -0.163 4.178 4.340 0.002 0.000 0.204 243 Q C 2.399 178.424 176.000 0.041 0.000 0.986 243 Q CA 1.665 57.437 55.803 -0.051 0.000 0.843 243 Q CB -0.745 27.908 28.738 -0.141 0.000 0.904 243 Q HN 0.479 nan 8.270 nan 0.000 0.420 244 Q N 0.290 120.112 119.800 0.036 0.000 2.170 244 Q HA -0.041 4.300 4.340 0.002 0.000 0.203 244 Q C 1.912 178.053 176.000 0.235 0.000 0.976 244 Q CA 1.591 57.462 55.803 0.114 0.000 0.858 244 Q CB -0.441 28.333 28.738 0.060 0.000 0.907 244 Q HN 0.443 nan 8.270 nan 0.000 0.433 245 A N 0.444 123.351 122.820 0.144 0.000 1.841 245 A HA -0.026 4.295 4.320 0.002 0.000 0.214 245 A C 2.259 179.957 177.584 0.190 0.000 1.195 245 A CA 1.489 53.621 52.037 0.158 0.000 0.611 245 A CB -1.141 17.910 19.000 0.085 0.000 0.835 245 A HN 0.374 nan 8.150 nan 0.000 0.443 246 A N -0.689 122.215 122.820 0.140 0.000 2.032 246 A HA -0.121 4.200 4.320 0.002 0.000 0.221 246 A C 2.106 179.781 177.584 0.152 0.000 1.165 246 A CA 1.857 53.973 52.037 0.132 0.000 0.645 246 A CB -0.574 18.494 19.000 0.115 0.000 0.807 246 A HN 0.757 nan 8.150 nan 0.000 0.453 247 L N -2.555 118.802 121.223 0.222 0.000 2.179 247 L HA 0.114 4.456 4.340 0.002 0.000 0.208 247 L C 2.030 179.103 176.870 0.339 0.000 1.096 247 L CA 1.581 56.584 54.840 0.273 0.000 0.779 247 L CB -0.438 41.816 42.059 0.325 0.000 0.922 247 L HN 0.345 nan 8.230 nan 0.000 0.443 248 F N 0.125 120.167 119.950 0.154 0.000 2.293 248 F HA 0.150 4.679 4.527 0.002 0.000 0.297 248 F C 2.166 177.865 175.800 -0.169 0.000 1.089 248 F CA 1.116 58.994 58.000 -0.203 0.000 1.377 248 F CB -0.659 38.109 39.000 -0.388 0.000 1.051 248 F HN 0.104 nan 8.300 nan 0.000 0.511 249 G N -0.840 107.944 108.800 -0.027 0.000 2.448 249 G HA2 -0.156 3.805 3.960 0.002 0.000 0.218 249 G HA3 -0.156 3.805 3.960 0.002 0.000 0.218 249 G C 1.412 176.273 174.900 -0.064 0.000 1.135 249 G CA 0.214 45.261 45.100 -0.088 0.000 0.784 249 G HN 0.326 nan 8.290 nan 0.000 0.543 250 Q N -0.403 119.342 119.800 -0.092 0.000 2.444 250 Q HA 0.294 4.635 4.340 0.002 0.000 0.206 250 Q C 1.612 177.174 176.000 -0.730 0.000 0.948 250 Q CA 0.513 56.174 55.803 -0.237 0.000 0.946 250 Q CB 0.226 28.900 28.738 -0.108 0.000 1.027 250 Q HN 0.523 nan 8.270 nan 0.000 0.513 251 A N 0.289 122.801 122.820 -0.513 0.000 2.905 251 A HA -0.226 4.095 4.320 0.002 0.000 0.260 251 A C 0.795 178.160 177.584 -0.366 0.000 1.398 251 A CA 0.759 52.474 52.037 -0.536 0.000 0.840 251 A CB -1.943 16.662 19.000 -0.658 0.000 1.059 251 A HN 0.389 nan 8.150 nan 0.000 0.647 252 A N -0.163 122.545 122.820 -0.187 0.000 3.063 252 A HA 0.568 4.889 4.320 0.002 0.000 0.263 252 A C 1.110 178.781 177.584 0.146 0.000 1.736 252 A CA 0.497 52.514 52.037 -0.033 0.000 1.408 252 A CB -0.751 18.266 19.000 0.029 0.000 1.108 252 A HN 0.958 nan 8.150 nan 0.000 0.621 253 L N 0.551 121.818 121.223 0.075 0.000 2.509 253 L HA 0.150 4.491 4.340 0.002 0.000 0.222 253 L C 1.578 178.530 176.870 0.137 0.000 1.123 253 L CA 0.211 55.164 54.840 0.188 0.000 0.856 253 L CB -0.091 42.007 42.059 0.065 0.000 0.985 253 L HN 0.598 nan 8.230 nan 0.000 0.456 254 G N 0.014 108.851 108.800 0.062 0.000 2.372 254 G HA2 0.409 4.370 3.960 0.002 0.000 0.283 254 G HA3 0.409 4.370 3.960 0.002 0.000 0.283 254 G C 0.218 175.143 174.900 0.041 0.000 1.177 254 G CA -0.242 44.884 45.100 0.043 0.000 0.842 254 G HN 0.131 nan 8.290 nan 0.000 0.503 255 G N -0.456 108.364 108.800 0.034 0.000 2.346 255 G HA2 0.515 4.476 3.960 0.002 0.000 0.275 255 G HA3 0.515 4.476 3.960 0.002 0.000 0.275 255 G C 1.113 176.022 174.900 0.014 0.000 1.190 255 G CA 0.684 45.798 45.100 0.023 0.000 1.015 255 G HN 1.886 nan 8.290 nan 0.000 0.441 256 G N 1.924 110.730 108.800 0.010 0.000 2.211 256 G HA2 -0.202 3.759 3.960 0.002 0.000 0.201 256 G HA3 -0.202 3.759 3.960 0.002 0.000 0.201 256 G C 0.185 175.087 174.900 0.005 0.000 0.997 256 G CA -0.016 45.087 45.100 0.006 0.000 0.652 256 G HN 0.717 nan 8.290 nan 0.000 0.500 257 E N 0.616 120.821 120.200 0.007 0.000 2.229 257 E HA 0.537 4.888 4.350 0.002 0.000 0.283 257 E C 0.638 177.242 176.600 0.007 0.000 1.030 257 E CA 0.580 56.981 56.400 0.002 0.000 0.836 257 E CB 1.118 30.816 29.700 -0.003 0.000 1.068 257 E HN 0.492 nan 8.360 nan 0.000 0.401 258 G N 2.313 111.115 108.800 0.004 0.000 2.658 258 G HA2 0.648 4.609 3.960 0.002 0.000 0.292 258 G HA3 0.648 4.609 3.960 0.002 0.000 0.292 258 G C -1.350 173.560 174.900 0.016 0.000 1.320 258 G CA -0.804 44.302 45.100 0.011 0.000 0.933 258 G HN 0.404 nan 8.290 nan 0.000 0.476 259 K N -1.979 118.437 120.400 0.026 0.000 2.579 259 K HA 0.690 5.011 4.320 0.002 0.000 0.284 259 K C -1.653 174.964 176.600 0.028 0.000 0.990 259 K CA -0.786 55.527 56.287 0.042 0.000 0.880 259 K CB 1.486 34.017 32.500 0.052 0.000 1.488 259 K HN 0.847 nan 8.250 nan 0.000 0.425 260 C N 1.348 120.665 119.300 0.029 0.000 2.482 260 C HA 0.765 5.227 4.460 0.002 0.000 0.317 260 C C -1.011 173.911 174.990 -0.114 0.000 1.197 260 C CA 0.020 58.975 59.018 -0.104 0.000 1.432 260 C CB 1.031 28.638 27.740 -0.220 0.000 2.062 260 C HN 0.807 nan 8.230 nan 0.000 0.471 261 T N 5.286 119.761 114.554 -0.131 0.000 2.794 261 T HA 0.494 4.845 4.350 0.002 0.000 0.280 261 T C -1.316 173.328 174.700 -0.094 0.000 0.987 261 T CA 0.014 62.132 62.100 0.030 0.000 0.993 261 T CB 0.640 69.591 68.868 0.139 0.000 0.939 261 T HN 0.575 nan 8.240 nan 0.000 0.449 262 Y N 1.904 122.310 120.300 0.178 0.000 2.721 262 Y HA 0.579 5.130 4.550 0.002 0.000 0.328 262 Y C 0.850 176.840 175.900 0.151 0.000 1.003 262 Y CA -0.823 57.370 58.100 0.156 0.000 1.275 262 Y CB 0.844 39.406 38.460 0.171 0.000 1.097 262 Y HN 0.864 nan 8.280 nan 0.000 0.514 263 G N 0.322 109.298 108.800 0.292 0.000 3.341 263 G HA2 0.096 4.057 3.960 0.002 0.000 0.177 263 G HA3 0.096 4.057 3.960 0.002 0.000 0.177 263 G C 0.917 175.980 174.900 0.271 0.000 1.236 263 G CA -0.182 45.083 45.100 0.275 0.000 0.888 263 G HN 0.306 nan 8.290 nan 0.000 0.644 264 T N 0.328 115.083 114.554 0.336 0.000 2.759 264 T HA 0.136 4.487 4.350 0.002 0.000 0.269 264 T C 1.182 176.094 174.700 0.354 0.000 1.042 264 T CA 1.596 63.907 62.100 0.351 0.000 1.140 264 T CB -0.364 68.776 68.868 0.454 0.000 0.864 264 T HN 0.652 nan 8.240 nan 0.000 0.455 265 G N -0.466 108.579 108.800 0.407 0.000 3.211 265 G HA2 0.706 4.667 3.960 0.002 0.000 0.262 265 G HA3 0.706 4.667 3.960 0.002 0.000 0.262 265 G C -1.694 173.177 174.900 -0.048 0.000 1.352 265 G CA -0.305 44.902 45.100 0.179 0.000 1.004 265 G HN 0.414 nan 8.290 nan 0.000 0.559 266 A N -0.836 121.659 122.820 -0.542 0.000 2.398 266 A HA 0.779 5.100 4.320 0.002 0.000 0.301 266 A C -1.838 175.167 177.584 -0.965 0.000 1.041 266 A CA -0.530 51.188 52.037 -0.532 0.000 0.711 266 A CB 0.993 19.758 19.000 -0.392 0.000 1.240 266 A HN 0.540 nan 8.150 nan 0.000 0.420 267 F N 1.850 121.683 119.950 -0.195 0.000 2.539 267 F HA 0.498 5.027 4.527 0.002 0.000 0.328 267 F C -0.278 175.436 175.800 -0.143 0.000 1.148 267 F CA -0.528 57.388 58.000 -0.140 0.000 0.940 267 F CB 1.977 40.923 39.000 -0.090 0.000 1.194 267 F HN 0.507 nan 8.300 nan 0.000 0.438 268 L N 5.200 126.411 121.223 -0.021 0.000 2.287 268 L HA 0.658 5.000 4.340 0.002 0.000 0.287 268 L C -1.537 175.349 176.870 0.027 0.000 1.022 268 L CA -0.759 54.064 54.840 -0.028 0.000 0.814 268 L CB 0.932 42.946 42.059 -0.075 0.000 1.217 268 L HN 0.542 nan 8.230 nan 0.000 0.420 269 L N 5.567 126.811 121.223 0.035 0.000 2.346 269 L HA 0.556 4.897 4.340 0.002 0.000 0.274 269 L C -0.864 176.015 176.870 0.015 0.000 1.007 269 L CA -0.364 54.495 54.840 0.033 0.000 0.818 269 L CB 1.875 43.956 42.059 0.037 0.000 1.284 269 L HN 0.435 nan 8.230 nan 0.000 0.424 270 L N 3.374 124.598 121.223 0.002 0.000 2.376 270 L HA 0.498 4.839 4.340 0.002 0.000 0.275 270 L C -0.335 176.522 176.870 -0.022 0.000 0.987 270 L CA -0.296 54.542 54.840 -0.003 0.000 0.828 270 L CB 1.381 43.439 42.059 -0.000 0.000 1.249 270 L HN 0.591 nan 8.230 nan 0.000 0.409 271 N N 2.394 121.080 118.700 -0.023 0.000 2.440 271 N HA -0.025 4.716 4.740 0.002 0.000 0.265 271 N C 0.434 175.929 175.510 -0.025 0.000 1.239 271 N CA 1.006 54.027 53.050 -0.048 0.000 0.909 271 N CB 0.987 39.476 38.487 0.003 0.000 1.066 271 N HN 0.829 nan 8.380 nan 0.000 0.474 272 T N 0.782 115.319 114.554 -0.029 0.000 3.085 272 T HA 0.364 4.716 4.350 0.002 0.000 0.264 272 T C 1.047 175.756 174.700 0.016 0.000 1.019 272 T CA 0.320 62.421 62.100 0.003 0.000 0.910 272 T CB -0.033 68.845 68.868 0.016 0.000 1.059 272 T HN 0.695 nan 8.240 nan 0.000 0.542 273 G N 2.855 111.650 108.800 -0.008 0.000 2.509 273 G HA2 -0.324 3.637 3.960 0.002 0.000 0.259 273 G HA3 -0.324 3.637 3.960 0.002 0.000 0.259 273 G C 0.653 175.548 174.900 -0.009 0.000 1.169 273 G CA 0.189 45.287 45.100 -0.003 0.000 0.953 273 G HN 0.467 nan 8.290 nan 0.000 0.563 274 K N 1.149 121.560 120.400 0.019 0.000 1.984 274 K HA -0.030 4.291 4.320 0.002 0.000 0.209 274 K C 1.710 178.425 176.600 0.192 0.000 1.046 274 K CA 1.570 57.876 56.287 0.031 0.000 0.934 274 K CB -0.167 32.351 32.500 0.030 0.000 0.717 274 K HN 0.781 nan 8.250 nan 0.000 0.438 275 R N 2.415 123.013 120.500 0.163 0.000 2.528 275 R HA 0.284 4.625 4.340 0.002 0.000 0.271 275 R C -2.667 173.680 176.300 0.078 0.000 1.056 275 R CA -1.901 54.274 56.100 0.125 0.000 1.117 275 R CB 0.068 30.383 30.300 0.024 0.000 1.085 275 R HN -0.052 nan 8.270 nan 0.000 0.530 276 P HA 0.111 nan 4.420 nan 0.000 0.294 276 P C -0.536 176.662 177.300 -0.169 0.000 1.294 276 P CA -0.587 62.283 63.100 -0.384 0.000 0.827 276 P CB 1.636 32.816 31.700 -0.867 0.000 0.992 277 V N 5.496 125.356 119.914 -0.090 0.000 2.356 277 V HA 0.071 4.193 4.120 0.002 0.000 0.258 277 V C 0.934 177.000 176.094 -0.048 0.000 1.065 277 V CA -0.224 62.047 62.300 -0.048 0.000 0.935 277 V CB -0.092 31.719 31.823 -0.020 0.000 1.061 277 V HN 0.404 nan 8.190 nan 0.000 0.484 278 L N 5.120 126.317 121.223 -0.043 0.000 2.448 278 L HA 0.185 4.526 4.340 0.002 0.000 0.278 278 L C 1.077 177.936 176.870 -0.019 0.000 1.201 278 L CA 0.439 55.258 54.840 -0.035 0.000 1.036 278 L CB 0.281 42.322 42.059 -0.030 0.000 1.325 278 L HN 0.700 nan 8.230 nan 0.000 0.441 279 S N 2.247 117.942 115.700 -0.009 0.000 2.584 279 S HA 0.116 4.587 4.470 0.002 0.000 0.270 279 S C 0.843 175.449 174.600 0.009 0.000 1.346 279 S CA -0.139 58.066 58.200 0.009 0.000 1.018 279 S CB 0.949 64.166 63.200 0.029 0.000 0.899 279 S HN 0.708 nan 8.310 nan 0.000 0.542 280 E N 1.365 121.578 120.200 0.021 0.000 2.536 280 E HA 0.187 4.538 4.350 0.002 0.000 0.220 280 E C 1.313 177.942 176.600 0.050 0.000 0.876 280 E CA -0.231 56.183 56.400 0.025 0.000 1.190 280 E CB 0.165 29.875 29.700 0.017 0.000 1.191 280 E HN 0.574 nan 8.360 nan 0.000 0.557 281 K N 0.463 120.895 120.400 0.053 0.000 2.439 281 K HA 0.034 4.356 4.320 0.002 0.000 0.197 281 K C 0.858 177.518 176.600 0.100 0.000 1.041 281 K CA 0.914 57.238 56.287 0.061 0.000 0.970 281 K CB 0.346 32.867 32.500 0.035 0.000 0.773 281 K HN 0.260 nan 8.250 nan 0.000 0.479 282 G N 0.405 109.300 108.800 0.158 0.000 2.200 282 G HA2 -0.114 3.848 3.960 0.002 0.000 0.145 282 G HA3 -0.114 3.848 3.960 0.002 0.000 0.145 282 G C -0.223 174.952 174.900 0.459 0.000 1.021 282 G CA -0.669 44.642 45.100 0.350 0.000 0.720 282 G HN 0.023 nan 8.290 nan 0.000 0.494 283 L N 0.729 122.094 121.223 0.237 0.000 2.352 283 L HA 0.756 5.098 4.340 0.002 0.000 0.269 283 L C 0.569 177.544 176.870 0.176 0.000 1.034 283 L CA -1.168 53.798 54.840 0.209 0.000 0.806 283 L CB 1.471 43.589 42.059 0.099 0.000 1.244 283 L HN -0.019 nan 8.230 nan 0.000 0.447 284 L N 1.262 122.598 121.223 0.188 0.000 2.325 284 L HA 0.699 5.041 4.340 0.002 0.000 0.278 284 L C -0.044 176.874 176.870 0.081 0.000 1.023 284 L CA -0.642 54.281 54.840 0.138 0.000 0.811 284 L CB 1.704 43.913 42.059 0.250 0.000 1.249 284 L HN 0.631 nan 8.230 nan 0.000 0.431 285 A N 1.536 124.370 122.820 0.024 0.000 2.305 285 A HA 0.786 5.107 4.320 0.002 0.000 0.322 285 A C -0.270 177.314 177.584 0.001 0.000 1.187 285 A CA -0.311 51.717 52.037 -0.016 0.000 0.825 285 A CB 1.590 20.539 19.000 -0.084 0.000 1.164 285 A HN 0.686 nan 8.150 nan 0.000 0.498 286 T N 0.332 114.899 114.554 0.021 0.000 2.769 286 T HA 0.484 4.835 4.350 0.002 0.000 0.306 286 T C -1.330 173.432 174.700 0.103 0.000 1.400 286 T CA -0.322 61.809 62.100 0.053 0.000 1.007 286 T CB 1.056 69.959 68.868 0.058 0.000 1.392 286 T HN 0.747 nan 8.240 nan 0.000 0.500 287 V N 2.938 122.896 119.914 0.073 0.000 2.509 287 V HA 0.624 4.746 4.120 0.002 0.000 0.284 287 V C 1.410 177.384 176.094 -0.199 0.000 1.047 287 V CA 0.280 62.568 62.300 -0.021 0.000 0.952 287 V CB 0.973 32.770 31.823 -0.042 0.000 0.988 287 V HN 1.099 nan 8.190 nan 0.000 0.469 288 A N 4.316 126.860 122.820 -0.460 0.000 1.943 288 A HA 0.323 4.645 4.320 0.002 0.000 0.213 288 A C 0.359 177.738 177.584 -0.342 0.000 1.181 288 A CA 1.002 52.662 52.037 -0.627 0.000 0.653 288 A CB 0.069 18.192 19.000 -1.463 0.000 0.833 288 A HN 1.156 nan 8.150 nan 0.000 0.451 289 W N -4.017 117.188 121.300 -0.159 0.000 3.189 289 W HA 0.588 5.249 4.660 0.002 0.000 0.314 289 W C -0.989 175.406 176.519 -0.206 0.000 1.204 289 W CA -0.415 56.799 57.345 -0.219 0.000 1.171 289 W CB 0.145 29.402 29.460 -0.338 0.000 1.394 289 W HN 0.039 nan 8.180 nan 0.000 0.568 290 S N 1.997 117.762 115.700 0.109 0.000 2.707 290 S HA 0.596 5.067 4.470 0.002 0.000 0.312 290 S C -1.454 173.169 174.600 0.037 0.000 1.116 290 S CA -0.532 57.696 58.200 0.048 0.000 1.078 290 S CB 0.138 63.347 63.200 0.015 0.000 0.997 290 S HN 0.453 nan 8.310 nan 0.000 0.477 291 L N 4.783 126.032 121.223 0.043 0.000 2.312 291 L HA 0.407 4.748 4.340 0.002 0.000 0.287 291 L C 1.689 178.568 176.870 0.016 0.000 1.091 291 L CA 0.740 55.582 54.840 0.004 0.000 0.846 291 L CB -0.305 41.756 42.059 0.003 0.000 1.219 291 L HN 1.062 nan 8.230 nan 0.000 0.439 292 G N 2.888 111.700 108.800 0.020 0.000 2.280 292 G HA2 -0.217 3.744 3.960 0.002 0.000 0.282 292 G HA3 -0.217 3.744 3.960 0.002 0.000 0.282 292 G C 0.927 175.847 174.900 0.033 0.000 1.000 292 G CA 1.093 46.211 45.100 0.031 0.000 0.751 292 G HN 1.213 nan 8.290 nan 0.000 0.515 293 G N -0.687 108.133 108.800 0.033 0.000 4.083 293 G HA2 0.141 4.102 3.960 0.002 0.000 0.179 293 G HA3 0.141 4.102 3.960 0.002 0.000 0.179 293 G C 0.572 175.482 174.900 0.018 0.000 2.061 293 G CA 0.447 45.566 45.100 0.032 0.000 1.122 293 G HN 1.303 nan 8.290 nan 0.000 0.350 294 R N 2.167 122.671 120.500 0.007 0.000 2.734 294 R HA 0.668 5.009 4.340 0.002 0.000 0.266 294 R C -0.315 175.951 176.300 -0.056 0.000 1.044 294 R CA 0.834 56.922 56.100 -0.020 0.000 1.128 294 R CB 0.382 30.675 30.300 -0.012 0.000 1.010 294 R HN 1.288 nan 8.270 nan 0.000 0.461 295 A N 1.826 124.548 122.820 -0.163 0.000 2.386 295 A HA 0.587 4.908 4.320 0.002 0.000 0.311 295 A C -0.923 176.327 177.584 -0.557 0.000 1.068 295 A CA -0.735 51.099 52.037 -0.339 0.000 0.743 295 A CB 1.695 20.438 19.000 -0.429 0.000 1.258 295 A HN 0.789 nan 8.150 nan 0.000 0.429 296 T N 1.778 115.979 114.554 -0.587 0.000 2.792 296 T HA 0.584 4.936 4.350 0.002 0.000 0.280 296 T C -0.752 173.499 174.700 -0.748 0.000 0.990 296 T CA -0.060 61.697 62.100 -0.573 0.000 0.960 296 T CB 0.355 69.010 68.868 -0.355 0.000 0.939 296 T HN 0.411 nan 8.240 nan 0.000 0.439 297 Y N 1.165 121.306 120.300 -0.265 0.000 2.418 297 Y HA 0.762 5.313 4.550 0.002 0.000 0.327 297 Y C 0.664 176.413 175.900 -0.252 0.000 1.309 297 Y CA -1.025 56.925 58.100 -0.250 0.000 1.423 297 Y CB 0.787 39.145 38.460 -0.168 0.000 1.423 297 Y HN 0.904 nan 8.280 nan 0.000 0.532 298 A N 0.113 122.940 122.820 0.011 0.000 2.599 298 A HA 0.675 4.997 4.320 0.002 0.000 0.290 298 A C -2.046 175.537 177.584 -0.001 0.000 1.101 298 A CA -0.790 51.222 52.037 -0.043 0.000 0.674 298 A CB 1.140 20.070 19.000 -0.116 0.000 1.277 298 A HN 0.655 nan 8.150 nan 0.000 0.419 299 L N 0.912 122.136 121.223 0.003 0.000 2.317 299 L HA 0.627 4.969 4.340 0.002 0.000 0.281 299 L C -0.005 176.890 176.870 0.041 0.000 1.024 299 L CA -0.280 54.574 54.840 0.023 0.000 0.810 299 L CB 1.659 43.728 42.059 0.017 0.000 1.240 299 L HN 0.913 nan 8.230 nan 0.000 0.427 300 E N 1.644 121.891 120.200 0.079 0.000 2.317 300 E HA 0.574 4.926 4.350 0.002 0.000 0.270 300 E C -1.004 175.670 176.600 0.123 0.000 0.885 300 E CA -0.742 55.722 56.400 0.107 0.000 0.760 300 E CB 2.331 32.125 29.700 0.156 0.000 1.227 300 E HN 0.684 nan 8.360 nan 0.000 0.434 301 G N 1.710 110.550 108.800 0.067 0.000 2.605 301 G HA2 0.379 4.340 3.960 0.002 0.000 0.304 301 G HA3 0.379 4.340 3.960 0.002 0.000 0.304 301 G C -0.913 173.933 174.900 -0.090 0.000 1.333 301 G CA -0.407 44.684 45.100 -0.014 0.000 0.973 301 G HN 0.317 nan 8.290 nan 0.000 0.507 302 S N 1.451 117.073 115.700 -0.129 0.000 2.457 302 S HA 0.486 4.957 4.470 0.002 0.000 0.289 302 S C -0.041 174.141 174.600 -0.698 0.000 1.163 302 S CA -0.424 57.580 58.200 -0.328 0.000 1.078 302 S CB 0.970 64.120 63.200 -0.084 0.000 0.987 302 S HN 0.476 nan 8.310 nan 0.000 0.482 303 L N 4.415 125.149 121.223 -0.815 0.000 2.384 303 L HA 0.391 4.732 4.340 0.002 0.000 0.261 303 L C 0.228 176.845 176.870 -0.421 0.000 1.024 303 L CA -0.608 53.847 54.840 -0.642 0.000 0.899 303 L CB 0.307 42.084 42.059 -0.470 0.000 1.243 303 L HN 0.548 nan 8.230 nan 0.000 0.449 304 F N 1.341 121.115 119.950 -0.293 0.000 2.111 304 F HA -0.174 4.355 4.527 0.002 0.000 0.300 304 F C 1.159 177.013 175.800 0.090 0.000 1.088 304 F CA 0.633 58.647 58.000 0.025 0.000 1.243 304 F CB -0.501 38.541 39.000 0.070 0.000 0.996 304 F HN 0.121 nan 8.300 nan 0.000 0.483 305 V N -1.022 118.969 119.914 0.128 0.000 2.487 305 V HA 0.744 4.865 4.120 0.002 0.000 0.298 305 V C 0.280 176.348 176.094 -0.043 0.000 1.028 305 V CA -0.037 62.295 62.300 0.053 0.000 0.860 305 V CB 1.147 32.907 31.823 -0.104 0.000 0.991 305 V HN 0.183 nan 8.190 nan 0.000 0.427 306 A N 3.845 126.676 122.820 0.018 0.000 1.761 306 A HA 0.542 4.863 4.320 0.002 0.000 0.168 306 A C 1.805 179.378 177.584 -0.018 0.000 1.884 306 A CA 0.803 52.835 52.037 -0.009 0.000 1.217 306 A CB -0.652 18.379 19.000 0.051 0.000 0.934 306 A HN 0.875 nan 8.150 nan 0.000 0.682 307 G N 0.010 108.841 108.800 0.051 0.000 2.421 307 G HA2 0.207 4.168 3.960 0.002 0.000 0.217 307 G HA3 0.207 4.168 3.960 0.002 0.000 0.217 307 G C 1.516 176.480 174.900 0.107 0.000 1.143 307 G CA 1.431 46.554 45.100 0.038 0.000 0.784 307 G HN 1.013 nan 8.290 nan 0.000 0.541 308 A N 1.087 124.010 122.820 0.171 0.000 2.139 308 A HA 0.211 4.532 4.320 0.002 0.000 0.221 308 A C 2.684 180.491 177.584 0.371 0.000 1.159 308 A CA 2.037 54.238 52.037 0.274 0.000 0.662 308 A CB -0.507 18.687 19.000 0.324 0.000 0.796 308 A HN 0.670 nan 8.150 nan 0.000 0.463 309 A N -0.451 122.488 122.820 0.197 0.000 1.845 309 A HA -0.051 4.271 4.320 0.002 0.000 0.215 309 A C 2.210 180.018 177.584 0.374 0.000 1.195 309 A CA 1.908 54.059 52.037 0.190 0.000 0.616 309 A CB -1.024 17.922 19.000 -0.090 0.000 0.832 309 A HN 0.441 nan 8.150 nan 0.000 0.443 310 V N 0.100 120.136 119.914 0.203 0.000 2.343 310 V HA -0.166 3.955 4.120 0.002 0.000 0.247 310 V C 2.839 179.050 176.094 0.194 0.000 1.051 310 V CA 1.846 64.249 62.300 0.173 0.000 1.036 310 V CB -1.649 30.210 31.823 0.060 0.000 0.654 310 V HN 0.641 nan 8.190 nan 0.000 0.451 311 G N -0.991 107.931 108.800 0.204 0.000 2.529 311 G HA2 -0.369 3.592 3.960 0.002 0.000 0.219 311 G HA3 -0.369 3.592 3.960 0.002 0.000 0.219 311 G C 1.345 176.372 174.900 0.211 0.000 1.177 311 G CA 1.128 46.340 45.100 0.186 0.000 0.773 311 G HN 0.638 nan 8.290 nan 0.000 0.573 312 W N 1.243 122.654 121.300 0.185 0.000 2.338 312 W HA -0.009 4.652 4.660 0.002 0.000 0.304 312 W C 2.377 178.965 176.519 0.115 0.000 1.212 312 W CA 1.329 58.755 57.345 0.135 0.000 1.264 312 W CB -0.394 29.236 29.460 0.282 0.000 1.142 312 W HN 0.132 nan 8.180 nan 0.000 0.512 313 L N 0.827 122.141 121.223 0.150 0.000 2.127 313 L HA -0.266 4.075 4.340 0.002 0.000 0.211 313 L C 2.660 179.402 176.870 -0.213 0.000 1.089 313 L CA 1.915 56.690 54.840 -0.107 0.000 0.757 313 L CB -0.890 41.240 42.059 0.119 0.000 0.899 313 L HN 0.059 nan 8.230 nan 0.000 0.434 314 K N 0.894 121.226 120.400 -0.112 0.000 2.031 314 K HA -0.156 4.165 4.320 0.002 0.000 0.205 314 K C 1.248 177.741 176.600 -0.179 0.000 1.049 314 K CA 1.108 57.331 56.287 -0.108 0.000 0.939 314 K CB 0.055 32.534 32.500 -0.036 0.000 0.717 314 K HN 0.236 nan 8.250 nan 0.000 0.438 315 E N 0.659 120.729 120.200 -0.217 0.000 2.381 315 E HA -0.051 4.301 4.350 0.002 0.000 0.198 315 E C 0.259 176.633 176.600 -0.377 0.000 1.204 315 E CA 0.098 56.355 56.400 -0.238 0.000 0.998 315 E CB 0.205 29.804 29.700 -0.168 0.000 1.080 315 E HN 0.278 nan 8.360 nan 0.000 0.481 316 V N -6.036 113.627 119.914 -0.418 0.000 3.623 316 V HA 0.348 4.469 4.120 0.002 0.000 0.283 316 V C 1.053 176.977 176.094 -0.283 0.000 1.643 316 V CA -0.181 61.864 62.300 -0.426 0.000 1.121 316 V CB 0.224 31.592 31.823 -0.758 0.000 0.933 316 V HN 0.154 nan 8.190 nan 0.000 0.420 317 G N 1.673 110.336 108.800 -0.228 0.000 2.143 317 G HA2 -0.267 3.694 3.960 0.002 0.000 0.248 317 G HA3 -0.267 3.694 3.960 0.002 0.000 0.248 317 G C 0.522 175.343 174.900 -0.132 0.000 0.991 317 G CA 0.686 45.696 45.100 -0.149 0.000 0.689 317 G HN 0.539 nan 8.290 nan 0.000 0.522 318 L N -0.158 120.967 121.223 -0.162 0.000 2.376 318 L HA 0.295 4.637 4.340 0.002 0.000 0.219 318 L C 1.525 178.354 176.870 -0.068 0.000 1.133 318 L CA 1.183 55.957 54.840 -0.110 0.000 0.816 318 L CB -0.266 41.723 42.059 -0.116 0.000 0.933 318 L HN 0.639 nan 8.230 nan 0.000 0.449 319 I N -4.518 116.011 120.570 -0.068 0.000 2.827 319 I HA 0.302 4.473 4.170 0.002 0.000 0.298 319 I C 0.643 176.733 176.117 -0.046 0.000 1.235 319 I CA -1.087 60.188 61.300 -0.042 0.000 1.021 319 I CB 1.990 39.977 38.000 -0.022 0.000 1.259 319 I HN -0.081 nan 8.210 nan 0.000 0.427 320 R N 2.939 123.419 120.500 -0.034 0.000 2.054 320 R HA 0.245 4.586 4.340 0.002 0.000 0.223 320 R C 0.434 176.719 176.300 -0.026 0.000 1.176 320 R CA 0.521 56.602 56.100 -0.032 0.000 0.934 320 R CB -0.258 30.027 30.300 -0.025 0.000 0.828 320 R HN 0.725 nan 8.270 nan 0.000 0.441 321 E N -0.161 120.030 120.200 -0.016 0.000 2.222 321 E HA 0.196 4.547 4.350 0.002 0.000 0.267 321 E C 0.043 176.641 176.600 -0.003 0.000 0.963 321 E CA -0.443 55.952 56.400 -0.008 0.000 0.837 321 E CB 1.919 31.617 29.700 -0.003 0.000 1.183 321 E HN 0.164 nan 8.360 nan 0.000 0.403 322 S N 1.412 117.115 115.700 0.005 0.000 2.528 322 S HA -0.146 4.325 4.470 0.002 0.000 0.244 322 S C 1.295 175.900 174.600 0.008 0.000 0.982 322 S CA 1.325 59.532 58.200 0.011 0.000 0.953 322 S CB -0.350 62.863 63.200 0.021 0.000 0.754 322 S HN 0.532 nan 8.310 nan 0.000 0.529 323 A N 0.644 123.467 122.820 0.006 0.000 1.943 323 A HA 0.153 4.474 4.320 0.002 0.000 0.213 323 A C 1.864 179.449 177.584 0.002 0.000 1.181 323 A CA 0.456 52.496 52.037 0.006 0.000 0.653 323 A CB -0.429 18.576 19.000 0.008 0.000 0.833 323 A HN 0.457 nan 8.150 nan 0.000 0.451 324 E N 0.559 120.758 120.200 -0.001 0.000 2.448 324 E HA -0.127 4.224 4.350 0.002 0.000 0.203 324 E C 1.757 178.355 176.600 -0.003 0.000 1.046 324 E CA 0.789 57.187 56.400 -0.004 0.000 0.871 324 E CB -0.258 29.437 29.700 -0.009 0.000 0.790 324 E HN 0.402 nan 8.360 nan 0.000 0.545 325 V N 1.334 121.248 119.914 -0.001 0.000 2.278 325 V HA -0.294 3.828 4.120 0.002 0.000 0.251 325 V C 2.169 178.263 176.094 0.000 0.000 1.062 325 V CA 2.488 64.788 62.300 0.001 0.000 1.038 325 V CB -0.575 31.244 31.823 -0.007 0.000 0.646 325 V HN 0.442 nan 8.190 nan 0.000 0.447 326 E N 0.044 120.243 120.200 -0.002 0.000 2.437 326 E HA 0.317 4.669 4.350 0.002 0.000 0.189 326 E C 1.454 178.053 176.600 -0.001 0.000 1.054 326 E CA 0.684 57.084 56.400 0.001 0.000 0.874 326 E CB 0.257 29.958 29.700 0.002 0.000 1.011 326 E HN 0.501 nan 8.360 nan 0.000 0.474 327 A N 0.734 123.552 122.820 -0.004 0.000 1.963 327 A HA 0.197 4.519 4.320 0.002 0.000 0.207 327 A C 1.965 179.541 177.584 -0.014 0.000 1.243 327 A CA 0.073 52.106 52.037 -0.007 0.000 0.728 327 A CB -0.244 18.751 19.000 -0.007 0.000 0.895 327 A HN 0.257 nan 8.150 nan 0.000 0.467 328 L N -0.274 120.940 121.223 -0.016 0.000 2.007 328 L HA -0.106 4.236 4.340 0.002 0.000 0.205 328 L C 3.064 179.917 176.870 -0.027 0.000 1.073 328 L CA 1.166 55.990 54.840 -0.027 0.000 0.744 328 L CB -0.596 41.449 42.059 -0.024 0.000 0.898 328 L HN 0.385 nan 8.230 nan 0.000 0.435 329 A N 0.108 122.923 122.820 -0.008 0.000 1.986 329 A HA -0.226 4.095 4.320 0.002 0.000 0.220 329 A C 2.425 180.008 177.584 -0.001 0.000 1.171 329 A CA 1.918 53.958 52.037 0.005 0.000 0.640 329 A CB -0.715 18.297 19.000 0.019 0.000 0.811 329 A HN 0.451 nan 8.150 nan 0.000 0.451 330 A N 0.051 122.868 122.820 -0.006 0.000 2.066 330 A HA 0.045 4.366 4.320 0.002 0.000 0.218 330 A C 2.274 179.851 177.584 -0.011 0.000 1.157 330 A CA 1.679 53.713 52.037 -0.006 0.000 0.670 330 A CB -0.705 18.293 19.000 -0.004 0.000 0.804 330 A HN 0.969 nan 8.150 nan 0.000 0.453 331 S N -0.607 115.078 115.700 -0.024 0.000 2.561 331 S HA 0.211 4.682 4.470 0.002 0.000 0.225 331 S C 0.471 175.045 174.600 -0.043 0.000 0.977 331 S CA 0.421 58.601 58.200 -0.035 0.000 0.926 331 S CB -1.038 62.133 63.200 -0.049 0.000 0.769 331 S HN 0.962 nan 8.310 nan 0.000 0.533 332 V N -1.853 118.039 119.914 -0.035 0.000 2.656 332 V HA 0.546 4.667 4.120 0.002 0.000 0.307 332 V C 0.487 176.602 176.094 0.035 0.000 1.051 332 V CA -0.991 61.302 62.300 -0.013 0.000 0.893 332 V CB 1.800 33.586 31.823 -0.062 0.000 0.999 332 V HN 0.103 nan 8.190 nan 0.000 0.426 333 E N 2.015 122.247 120.200 0.053 0.000 2.152 333 E HA -0.014 4.337 4.350 0.002 0.000 0.192 333 E C 0.034 176.672 176.600 0.063 0.000 0.983 333 E CA 1.776 58.206 56.400 0.050 0.000 0.818 333 E CB 0.243 29.971 29.700 0.046 0.000 0.758 333 E HN 1.038 nan 8.360 nan 0.000 0.467 334 D N -1.864 118.595 120.400 0.098 0.000 2.904 334 D HA 0.061 4.703 4.640 0.002 0.000 0.290 334 D C 0.444 176.826 176.300 0.135 0.000 1.180 334 D CA -0.403 53.648 54.000 0.086 0.000 1.065 334 D CB 0.365 41.201 40.800 0.060 0.000 1.386 334 D HN -0.116 nan 8.370 nan 0.000 0.599 335 T N -4.697 109.872 114.554 0.025 0.000 3.044 335 T HA 0.452 4.803 4.350 0.002 0.000 0.260 335 T C 1.457 175.943 174.700 -0.357 0.000 1.019 335 T CA 0.310 62.390 62.100 -0.034 0.000 0.921 335 T CB -0.221 68.587 68.868 -0.099 0.000 1.053 335 T HN 1.318 nan 8.240 nan 0.000 0.533 336 G N 1.922 110.537 108.800 -0.307 0.000 2.143 336 G HA2 -0.242 3.720 3.960 0.002 0.000 0.248 336 G HA3 -0.242 3.720 3.960 0.002 0.000 0.248 336 G C 0.211 175.026 174.900 -0.141 0.000 0.991 336 G CA 0.508 45.418 45.100 -0.316 0.000 0.689 336 G HN 0.941 nan 8.290 nan 0.000 0.522 337 D N -2.608 117.749 120.400 -0.070 0.000 3.082 337 D HA -0.157 4.485 4.640 0.002 0.000 0.216 337 D C 0.296 176.651 176.300 0.091 0.000 1.114 337 D CA 1.121 55.179 54.000 0.096 0.000 0.886 337 D CB -1.366 39.503 40.800 0.114 0.000 1.096 337 D HN 1.047 nan 8.370 nan 0.000 0.431 338 V N 1.140 120.962 119.914 -0.154 0.000 2.539 338 V HA 0.594 4.715 4.120 0.002 0.000 0.292 338 V C 0.047 175.910 176.094 -0.384 0.000 1.045 338 V CA -0.186 62.052 62.300 -0.104 0.000 0.945 338 V CB 1.347 33.121 31.823 -0.081 0.000 0.993 338 V HN 0.135 nan 8.190 nan 0.000 0.464 339 Y N 3.485 123.860 120.300 0.125 0.000 2.421 339 Y HA 0.492 5.044 4.550 0.002 0.000 0.339 339 Y C -0.576 175.494 175.900 0.284 0.000 0.996 339 Y CA -0.622 57.607 58.100 0.215 0.000 1.046 339 Y CB 2.087 40.627 38.460 0.132 0.000 1.226 339 Y HN 0.609 nan 8.280 nan 0.000 0.445 340 F N 4.460 124.558 119.950 0.245 0.000 2.403 340 F HA 0.639 5.167 4.527 0.002 0.000 0.355 340 F C -1.169 174.769 175.800 0.231 0.000 1.119 340 F CA -1.149 56.947 58.000 0.160 0.000 1.007 340 F CB 0.701 39.770 39.000 0.116 0.000 1.194 340 F HN 0.203 nan 8.300 nan 0.000 0.443 341 V N 8.426 128.507 119.914 0.279 0.000 2.304 341 V HA 0.186 4.307 4.120 0.002 0.000 0.262 341 V C -1.533 174.385 176.094 -0.293 0.000 1.061 341 V CA -1.278 61.027 62.300 0.009 0.000 0.872 341 V CB 0.641 32.374 31.823 -0.150 0.000 1.077 341 V HN 0.612 nan 8.190 nan 0.000 0.480 342 P HA -0.011 nan 4.420 nan 0.000 0.269 342 P C 0.670 177.459 177.300 -0.852 0.000 1.376 342 P CA 0.210 62.671 63.100 -1.065 0.000 0.775 342 P CB 0.166 31.269 31.700 -0.995 0.000 1.345 343 A N -0.274 122.286 122.820 -0.434 0.000 3.004 343 A HA 0.091 4.412 4.320 0.002 0.000 0.252 343 A C 0.953 178.488 177.584 -0.083 0.000 1.802 343 A CA -0.357 51.548 52.037 -0.221 0.000 1.424 343 A CB -1.609 17.316 19.000 -0.125 0.000 1.005 343 A HN -0.030 nan 8.150 nan 0.000 0.631 344 F N 0.865 120.793 119.950 -0.036 0.000 2.025 344 F HA -0.161 4.367 4.527 0.002 0.000 0.297 344 F C 2.568 178.374 175.800 0.010 0.000 1.132 344 F CA 2.119 60.093 58.000 -0.044 0.000 1.191 344 F CB -1.237 37.727 39.000 -0.061 0.000 0.963 344 F HN 0.483 nan 8.300 nan 0.000 0.481 345 T N -1.221 113.485 114.554 0.253 0.000 3.327 345 T HA 0.566 4.918 4.350 0.002 0.000 0.241 345 T C 0.560 175.383 174.700 0.205 0.000 0.907 345 T CA 0.152 62.352 62.100 0.167 0.000 0.931 345 T CB -0.730 68.192 68.868 0.091 0.000 1.112 345 T HN 0.679 nan 8.240 nan 0.000 0.589 346 G N 0.932 109.839 108.800 0.179 0.000 2.685 346 G HA2 0.073 4.034 3.960 0.002 0.000 0.387 346 G HA3 0.073 4.034 3.960 0.002 0.000 0.387 346 G C -1.333 173.664 174.900 0.163 0.000 1.324 346 G CA -0.753 44.453 45.100 0.177 0.000 0.878 346 G HN 0.583 nan 8.290 nan 0.000 0.527 347 L N 1.350 122.616 121.223 0.072 0.000 2.334 347 L HA 0.800 5.141 4.340 0.002 0.000 0.276 347 L C 1.427 177.984 176.870 -0.522 0.000 1.014 347 L CA 0.934 55.683 54.840 -0.152 0.000 0.815 347 L CB 1.235 43.231 42.059 -0.105 0.000 1.268 347 L HN 1.276 nan 8.230 nan 0.000 0.428 348 G N 2.079 110.224 108.800 -1.092 0.000 3.199 348 G HA2 0.539 4.501 3.960 0.002 0.000 0.184 348 G HA3 0.539 4.501 3.960 0.002 0.000 0.184 348 G C -0.483 173.239 174.900 -1.965 0.000 1.974 348 G CA 0.382 44.272 45.100 -2.016 0.000 0.885 348 G HN 0.813 nan 8.290 nan 0.000 0.575 349 A N 0.125 122.047 122.820 -1.495 0.000 2.306 349 A HA 0.690 5.012 4.320 0.002 0.000 0.330 349 A C -2.103 175.019 177.584 -0.770 0.000 1.146 349 A CA -1.301 50.070 52.037 -1.109 0.000 0.827 349 A CB 1.477 20.124 19.000 -0.589 0.000 1.178 349 A HN 0.307 nan 8.150 nan 0.000 0.490 350 P HA 0.184 nan 4.420 nan 0.000 0.254 350 P C -0.281 176.751 177.300 -0.447 0.000 1.620 350 P CA 0.262 63.042 63.100 -0.533 0.000 1.050 350 P CB -0.171 31.351 31.700 -0.297 0.000 1.539 351 Y N -1.738 118.362 120.300 -0.333 0.000 2.269 351 Y HA 0.107 4.658 4.550 0.002 0.000 0.294 351 Y C 0.707 176.615 175.900 0.013 0.000 1.120 351 Y CA 0.028 58.043 58.100 -0.142 0.000 1.159 351 Y CB -1.093 37.261 38.460 -0.176 0.000 1.024 351 Y HN -0.106 nan 8.280 nan 0.000 0.532 352 W N 1.921 123.287 121.300 0.111 0.000 6.544 352 W HA -0.225 4.436 4.660 0.003 0.000 0.423 352 W C -0.577 176.027 176.519 0.140 0.000 1.688 352 W CA 0.434 57.836 57.345 0.094 0.000 1.082 352 W CB -1.021 28.503 29.460 0.106 0.000 2.917 352 W HN 0.078 nan 8.180 nan 0.000 1.481 353 D N 0.232 120.785 120.400 0.255 0.000 2.453 353 D HA 0.330 4.971 4.640 0.002 0.000 0.238 353 D C -1.496 174.915 176.300 0.185 0.000 1.088 353 D CA -2.494 51.641 54.000 0.225 0.000 0.854 353 D CB 1.653 42.539 40.800 0.142 0.000 1.076 353 D HN -0.181 nan 8.370 nan 0.000 0.533 354 P HA -0.022 nan 4.420 nan 0.000 0.226 354 P C 0.203 177.351 177.300 -0.253 0.000 1.153 354 P CA 0.804 63.858 63.100 -0.077 0.000 0.777 354 P CB 0.053 31.597 31.700 -0.260 0.000 0.794 355 Y N -1.260 119.116 120.300 0.128 0.000 2.493 355 Y HA 0.398 4.950 4.550 0.002 0.000 0.275 355 Y C 1.242 177.218 175.900 0.127 0.000 1.183 355 Y CA -0.682 57.484 58.100 0.111 0.000 1.258 355 Y CB -0.560 37.946 38.460 0.076 0.000 1.108 355 Y HN -0.156 nan 8.280 nan 0.000 0.521 356 A N 0.959 123.890 122.820 0.185 0.000 2.322 356 A HA 0.754 5.075 4.320 0.002 0.000 0.269 356 A C 0.262 177.920 177.584 0.124 0.000 1.094 356 A CA -0.436 51.675 52.037 0.122 0.000 0.807 356 A CB 0.660 19.666 19.000 0.008 0.000 1.047 356 A HN 0.180 nan 8.150 nan 0.000 0.487 357 R N -0.011 120.544 120.500 0.092 0.000 2.817 357 R HA 0.467 4.808 4.340 0.002 0.000 0.268 357 R C 0.156 176.443 176.300 -0.022 0.000 1.027 357 R CA -0.288 55.857 56.100 0.075 0.000 0.928 357 R CB 1.265 31.644 30.300 0.132 0.000 1.228 357 R HN 0.975 nan 8.270 nan 0.000 0.469 358 G N 0.788 109.605 108.800 0.028 0.000 2.272 358 G HA2 0.229 4.190 3.960 0.002 0.000 0.247 358 G HA3 0.229 4.190 3.960 0.002 0.000 0.247 358 G C -0.624 174.258 174.900 -0.029 0.000 1.272 358 G CA 0.554 45.665 45.100 0.018 0.000 0.921 358 G HN 0.309 nan 8.290 nan 0.000 0.495 359 T N 2.828 117.401 114.554 0.032 0.000 2.886 359 T HA 0.489 4.841 4.350 0.002 0.000 0.292 359 T C -0.197 174.562 174.700 0.099 0.000 1.012 359 T CA -0.438 61.639 62.100 -0.038 0.000 0.982 359 T CB 1.563 70.356 68.868 -0.125 0.000 1.018 359 T HN 0.331 nan 8.240 nan 0.000 0.451 360 L N 3.409 124.616 121.223 -0.026 0.000 2.334 360 L HA 0.721 5.062 4.340 0.002 0.000 0.276 360 L C -1.028 175.841 176.870 -0.002 0.000 1.014 360 L CA -0.965 53.869 54.840 -0.011 0.000 0.815 360 L CB 1.531 43.510 42.059 -0.134 0.000 1.268 360 L HN 0.422 nan 8.230 nan 0.000 0.428 361 L N 1.373 122.633 121.223 0.061 0.000 2.434 361 L HA 0.547 4.888 4.340 0.002 0.000 0.260 361 L C 0.563 177.482 176.870 0.082 0.000 0.983 361 L CA -0.583 54.289 54.840 0.053 0.000 0.820 361 L CB 2.016 44.110 42.059 0.058 0.000 1.361 361 L HN 0.796 nan 8.230 nan 0.000 0.410 362 G N 2.046 110.872 108.800 0.044 0.000 2.176 362 G HA2 -0.235 3.727 3.960 0.002 0.000 0.252 362 G HA3 -0.235 3.727 3.960 0.002 0.000 0.252 362 G C -0.141 174.766 174.900 0.012 0.000 1.024 362 G CA -0.175 44.950 45.100 0.042 0.000 0.755 362 G HN 0.366 nan 8.290 nan 0.000 0.507 363 L N 1.036 122.259 121.223 0.001 0.000 2.426 363 L HA 0.576 4.917 4.340 0.002 0.000 0.271 363 L C 1.182 178.048 176.870 -0.008 0.000 1.169 363 L CA 0.576 55.412 54.840 -0.008 0.000 0.836 363 L CB 0.837 42.890 42.059 -0.010 0.000 1.112 363 L HN 0.464 nan 8.230 nan 0.000 0.465 364 T N -1.477 113.073 114.554 -0.008 0.000 2.883 364 T HA 0.302 4.653 4.350 0.002 0.000 0.296 364 T C 0.595 175.299 174.700 0.006 0.000 1.117 364 T CA -0.992 61.106 62.100 -0.004 0.000 1.006 364 T CB 1.698 70.559 68.868 -0.010 0.000 1.191 364 T HN 0.607 nan 8.240 nan 0.000 0.508 365 R N 0.244 120.749 120.500 0.008 0.000 2.226 365 R HA -0.061 4.280 4.340 0.002 0.000 0.246 365 R C 1.801 178.116 176.300 0.024 0.000 1.161 365 R CA 2.157 58.265 56.100 0.013 0.000 0.997 365 R CB -0.919 29.387 30.300 0.011 0.000 0.870 365 R HN 0.835 nan 8.270 nan 0.000 0.465 366 G N -0.996 107.822 108.800 0.030 0.000 3.020 366 G HA2 0.032 3.993 3.960 0.002 0.000 0.217 366 G HA3 0.032 3.993 3.960 0.002 0.000 0.217 366 G C -0.098 174.865 174.900 0.105 0.000 1.144 366 G CA -0.129 45.005 45.100 0.057 0.000 0.760 366 G HN 0.231 nan 8.290 nan 0.000 0.548 367 T N 1.771 116.366 114.554 0.069 0.000 2.905 367 T HA 0.351 4.702 4.350 0.002 0.000 0.299 367 T C 0.738 175.538 174.700 0.166 0.000 1.024 367 T CA 0.750 62.920 62.100 0.117 0.000 1.151 367 T CB 0.954 69.844 68.868 0.037 0.000 0.987 367 T HN 0.436 nan 8.240 nan 0.000 0.535 368 S N 3.067 118.939 115.700 0.287 0.000 2.806 368 S HA 0.501 4.973 4.470 0.002 0.000 0.315 368 S C 1.084 175.713 174.600 0.049 0.000 1.127 368 S CA -1.182 57.075 58.200 0.094 0.000 0.918 368 S CB 1.530 64.725 63.200 -0.010 0.000 1.240 368 S HN 0.610 nan 8.310 nan 0.000 0.552 369 R N -0.085 120.408 120.500 -0.011 0.000 2.092 369 R HA 0.051 4.393 4.340 0.002 0.000 0.231 369 R C 2.542 178.828 176.300 -0.023 0.000 1.119 369 R CA 1.350 57.442 56.100 -0.013 0.000 0.970 369 R CB -0.971 29.312 30.300 -0.028 0.000 0.864 369 R HN 0.746 nan 8.270 nan 0.000 0.440 370 A N 0.682 123.446 122.820 -0.093 0.000 1.883 370 A HA -0.221 4.100 4.320 0.002 0.000 0.217 370 A C 1.721 179.274 177.584 -0.052 0.000 1.186 370 A CA 1.596 53.563 52.037 -0.116 0.000 0.624 370 A CB -0.831 18.033 19.000 -0.227 0.000 0.822 370 A HN 0.421 nan 8.150 nan 0.000 0.444 371 H N -0.457 118.617 119.070 0.007 0.000 2.352 371 H HA -0.051 4.506 4.556 0.002 0.000 0.299 371 H C 1.957 177.296 175.328 0.018 0.000 1.097 371 H CA 1.452 57.503 56.048 0.006 0.000 1.311 371 H CB -0.159 29.603 29.762 -0.001 0.000 1.377 371 H HN 0.373 nan 8.280 nan 0.000 0.504 372 L N 0.002 121.313 121.223 0.147 0.000 2.141 372 L HA -0.126 4.215 4.340 0.002 0.000 0.209 372 L C 2.796 179.750 176.870 0.140 0.000 1.094 372 L CA 0.639 55.545 54.840 0.110 0.000 0.763 372 L CB -0.397 41.699 42.059 0.062 0.000 0.908 372 L HN 0.346 nan 8.230 nan 0.000 0.437 373 A N 0.051 122.932 122.820 0.101 0.000 1.898 373 A HA -0.207 4.114 4.320 0.002 0.000 0.216 373 A C 2.443 180.084 177.584 0.095 0.000 1.181 373 A CA 1.450 53.542 52.037 0.092 0.000 0.620 373 A CB -0.456 18.570 19.000 0.044 0.000 0.819 373 A HN 0.279 nan 8.150 nan 0.000 0.442 374 R N -0.627 119.924 120.500 0.086 0.000 2.075 374 R HA -0.037 4.304 4.340 0.002 0.000 0.232 374 R C 2.376 178.730 176.300 0.091 0.000 1.126 374 R CA 1.169 57.314 56.100 0.075 0.000 0.963 374 R CB -0.344 30.000 30.300 0.073 0.000 0.858 374 R HN 0.471 nan 8.270 nan 0.000 0.435 375 A N 0.765 123.658 122.820 0.122 0.000 1.883 375 A HA -0.169 4.152 4.320 0.002 0.000 0.217 375 A C 2.324 180.049 177.584 0.235 0.000 1.186 375 A CA 1.823 53.955 52.037 0.157 0.000 0.624 375 A CB -0.830 18.277 19.000 0.179 0.000 0.822 375 A HN 0.496 nan 8.150 nan 0.000 0.444 376 A N -0.369 122.634 122.820 0.306 0.000 1.908 376 A HA -0.075 4.246 4.320 0.002 0.000 0.218 376 A C 2.193 179.801 177.584 0.040 0.000 1.181 376 A CA 1.580 53.773 52.037 0.258 0.000 0.627 376 A CB -0.585 18.622 19.000 0.345 0.000 0.818 376 A HN 0.489 nan 8.150 nan 0.000 0.445 377 L N -0.709 120.537 121.223 0.037 0.000 2.056 377 L HA -0.178 4.164 4.340 0.002 0.000 0.207 377 L C 2.677 179.580 176.870 0.054 0.000 1.078 377 L CA 1.474 56.313 54.840 -0.003 0.000 0.749 377 L CB -0.678 41.422 42.059 0.068 0.000 0.901 377 L HN 0.494 nan 8.230 nan 0.000 0.433 378 E N 0.229 120.434 120.200 0.009 0.000 2.051 378 E HA -0.189 4.162 4.350 0.002 0.000 0.192 378 E C 2.186 178.697 176.600 -0.148 0.000 0.991 378 E CA 1.218 57.533 56.400 -0.140 0.000 0.799 378 E CB -0.406 29.284 29.700 -0.017 0.000 0.748 378 E HN 0.564 nan 8.360 nan 0.000 0.449 379 G N 1.739 110.541 108.800 0.005 0.000 2.529 379 G HA2 -0.318 3.643 3.960 0.002 0.000 0.219 379 G HA3 -0.318 3.643 3.960 0.002 0.000 0.219 379 G C 1.814 176.553 174.900 -0.268 0.000 1.177 379 G CA 1.413 46.427 45.100 -0.144 0.000 0.773 379 G HN 0.165 nan 8.290 nan 0.000 0.573 380 V N 1.495 121.331 119.914 -0.129 0.000 2.332 380 V HA -0.155 3.966 4.120 0.002 0.000 0.248 380 V C 3.322 179.435 176.094 0.033 0.000 1.055 380 V CA 2.207 64.487 62.300 -0.033 0.000 1.038 380 V CB -0.975 30.840 31.823 -0.015 0.000 0.651 380 V HN 0.529 nan 8.190 nan 0.000 0.450 381 A N -0.606 122.219 122.820 0.008 0.000 1.898 381 A HA -0.148 4.174 4.320 0.002 0.000 0.216 381 A C 2.020 179.427 177.584 -0.294 0.000 1.181 381 A CA 1.589 53.538 52.037 -0.147 0.000 0.620 381 A CB -0.687 18.112 19.000 -0.335 0.000 0.819 381 A HN 0.437 nan 8.150 nan 0.000 0.442 382 F N 0.529 120.202 119.950 -0.462 0.000 2.161 382 F HA -0.201 4.327 4.527 0.002 0.000 0.300 382 F C 2.717 178.223 175.800 -0.491 0.000 1.089 382 F CA 1.698 59.232 58.000 -0.776 0.000 1.282 382 F CB -0.618 37.143 39.000 -2.064 0.000 1.010 382 F HN 0.336 nan 8.300 nan 0.000 0.485 383 Q N -0.483 119.199 119.800 -0.195 0.000 2.079 383 Q HA -0.142 4.200 4.340 0.002 0.000 0.200 383 Q C 2.413 178.423 176.000 0.016 0.000 0.974 383 Q CA 1.620 57.469 55.803 0.078 0.000 0.840 383 Q CB -0.519 28.245 28.738 0.042 0.000 0.898 383 Q HN 0.266 nan 8.270 nan 0.000 0.430 384 V N 1.067 120.965 119.914 -0.027 0.000 2.343 384 V HA -0.293 3.828 4.120 0.002 0.000 0.247 384 V C 2.342 178.423 176.094 -0.022 0.000 1.051 384 V CA 2.130 64.409 62.300 -0.035 0.000 1.036 384 V CB -0.541 31.289 31.823 0.013 0.000 0.654 384 V HN 0.295 nan 8.190 nan 0.000 0.451 385 R N 0.474 120.974 120.500 -0.000 0.000 2.081 385 R HA -0.171 4.170 4.340 0.002 0.000 0.235 385 R C 1.940 178.277 176.300 0.062 0.000 1.131 385 R CA 1.942 58.044 56.100 0.003 0.000 0.960 385 R CB -0.558 29.747 30.300 0.008 0.000 0.856 385 R HN 0.472 nan 8.270 nan 0.000 0.436 386 D N -0.300 120.218 120.400 0.196 0.000 2.133 386 D HA -0.152 4.489 4.640 0.002 0.000 0.195 386 D C 1.828 178.129 176.300 0.001 0.000 0.997 386 D CA 1.674 55.789 54.000 0.192 0.000 0.840 386 D CB -0.090 40.819 40.800 0.182 0.000 0.947 386 D HN 0.171 nan 8.370 nan 0.000 0.452 387 V N 0.363 120.249 119.914 -0.046 0.000 2.407 387 V HA -0.146 3.975 4.120 0.002 0.000 0.245 387 V C 2.637 178.702 176.094 -0.048 0.000 1.041 387 V CA 0.758 63.010 62.300 -0.081 0.000 1.040 387 V CB -0.346 31.412 31.823 -0.107 0.000 0.671 387 V HN 0.041 nan 8.190 nan 0.000 0.455 388 V N -0.005 119.885 119.914 -0.041 0.000 2.407 388 V HA -0.235 3.886 4.120 0.002 0.000 0.248 388 V C 2.305 178.375 176.094 -0.039 0.000 1.055 388 V CA 1.818 64.095 62.300 -0.039 0.000 1.049 388 V CB -0.560 31.235 31.823 -0.046 0.000 0.662 388 V HN 0.436 nan 8.190 nan 0.000 0.455 389 L N -0.119 121.079 121.223 -0.043 0.000 2.156 389 L HA -0.079 4.262 4.340 0.002 0.000 0.208 389 L C 2.701 179.562 176.870 -0.015 0.000 1.095 389 L CA 1.274 56.091 54.840 -0.039 0.000 0.770 389 L CB -0.702 41.329 42.059 -0.047 0.000 0.914 389 L HN 0.364 nan 8.230 nan 0.000 0.439 390 A N 0.043 122.853 122.820 -0.017 0.000 1.898 390 A HA -0.193 4.128 4.320 0.002 0.000 0.216 390 A C 2.279 179.858 177.584 -0.008 0.000 1.181 390 A CA 1.479 53.507 52.037 -0.015 0.000 0.620 390 A CB -0.374 18.601 19.000 -0.041 0.000 0.819 390 A HN 0.329 nan 8.150 nan 0.000 0.442 391 M N -1.376 118.217 119.600 -0.012 0.000 2.229 391 M HA -0.115 4.367 4.480 0.002 0.000 0.264 391 M C 2.032 178.328 176.300 -0.006 0.000 1.063 391 M CA 1.586 56.883 55.300 -0.006 0.000 1.114 391 M CB -0.388 32.207 32.600 -0.008 0.000 1.387 391 M HN 0.455 nan 8.290 nan 0.000 0.420 392 E N 0.763 120.957 120.200 -0.011 0.000 2.085 392 E HA -0.246 4.105 4.350 0.002 0.000 0.194 392 E C 1.854 178.451 176.600 -0.004 0.000 0.994 392 E CA 1.490 57.884 56.400 -0.010 0.000 0.801 392 E CB 0.145 29.834 29.700 -0.018 0.000 0.743 392 E HN 0.298 nan 8.360 nan 0.000 0.453 393 E N 0.247 120.446 120.200 -0.001 0.000 2.364 393 E HA -0.021 4.331 4.350 0.002 0.000 0.196 393 E C -0.005 176.598 176.600 0.006 0.000 0.990 393 E CA 0.127 56.529 56.400 0.004 0.000 0.886 393 E CB 0.238 29.942 29.700 0.007 0.000 0.866 393 E HN -0.036 nan 8.360 nan 0.000 0.493 394 E N 1.321 121.525 120.200 0.006 0.000 2.127 394 E HA 0.274 4.625 4.350 0.002 0.000 0.295 394 E C -1.021 175.582 176.600 0.005 0.000 1.155 394 E CA 0.655 57.059 56.400 0.008 0.000 1.201 394 E CB -1.282 28.424 29.700 0.011 0.000 1.083 394 E HN 0.309 nan 8.360 nan 0.000 0.472 395 A N 2.144 124.966 122.820 0.004 0.000 1.888 395 A HA 0.181 4.502 4.320 0.002 0.000 0.243 395 A C 0.670 178.255 177.584 0.002 0.000 1.351 395 A CA 0.686 52.724 52.037 0.003 0.000 0.702 395 A CB -1.584 17.416 19.000 0.001 0.000 1.185 395 A HN 1.131 nan 8.150 nan 0.000 0.265 396 G N -0.928 107.873 108.800 0.002 0.000 2.368 396 G HA2 0.587 4.548 3.960 0.002 0.000 0.269 396 G HA3 0.587 4.548 3.960 0.002 0.000 0.269 396 G C -0.421 174.479 174.900 0.000 0.000 1.291 396 G CA 0.343 45.444 45.100 0.002 0.000 0.903 396 G HN 1.700 nan 8.290 nan 0.000 0.483 397 V N -0.068 119.845 119.914 -0.000 0.000 3.406 397 V HA 0.787 4.909 4.120 0.002 0.000 0.305 397 V C 0.886 176.977 176.094 -0.005 0.000 1.136 397 V CA -0.728 61.572 62.300 -0.002 0.000 1.011 397 V CB 1.495 33.318 31.823 -0.000 0.000 1.221 397 V HN 0.889 nan 8.190 nan 0.000 0.454 398 R N 0.679 121.176 120.500 -0.006 0.000 2.543 398 R HA 0.299 4.640 4.340 0.002 0.000 0.277 398 R C -0.780 175.515 176.300 -0.009 0.000 1.074 398 R CA -0.195 55.900 56.100 -0.010 0.000 1.076 398 R CB 0.114 30.408 30.300 -0.009 0.000 0.993 398 R HN 0.537 nan 8.270 nan 0.000 0.459 399 L N 5.068 126.283 121.223 -0.013 0.000 2.385 399 L HA 0.179 4.520 4.340 0.002 0.000 0.281 399 L C 0.528 177.393 176.870 -0.009 0.000 1.106 399 L CA 0.493 55.327 54.840 -0.010 0.000 0.856 399 L CB 0.781 42.832 42.059 -0.014 0.000 1.186 399 L HN 0.657 nan 8.230 nan 0.000 0.453 400 K N 3.550 123.948 120.400 -0.004 0.000 2.167 400 K HA 0.159 4.480 4.320 0.002 0.000 0.203 400 K C 0.074 176.675 176.600 0.002 0.000 1.052 400 K CA 0.657 56.943 56.287 -0.002 0.000 0.956 400 K CB 0.069 32.569 32.500 0.001 0.000 0.735 400 K HN 0.421 nan 8.250 nan 0.000 0.451 401 V N 0.396 120.313 119.914 0.006 0.000 3.048 401 V HA 0.467 4.588 4.120 0.002 0.000 0.303 401 V C -2.125 173.981 176.094 0.019 0.000 1.214 401 V CA -1.217 61.092 62.300 0.015 0.000 0.984 401 V CB 2.218 34.055 31.823 0.023 0.000 1.054 401 V HN 0.038 nan 8.190 nan 0.000 0.430 402 L N 5.206 126.447 121.223 0.031 0.000 2.376 402 L HA 0.638 4.979 4.340 0.002 0.000 0.275 402 L C -0.335 176.580 176.870 0.075 0.000 0.987 402 L CA -0.117 54.748 54.840 0.041 0.000 0.828 402 L CB 1.619 43.697 42.059 0.031 0.000 1.249 402 L HN 0.692 nan 8.230 nan 0.000 0.409 403 K N 4.076 124.523 120.400 0.079 0.000 2.249 403 K HA 0.760 5.082 4.320 0.002 0.000 0.280 403 K C -0.636 176.057 176.600 0.155 0.000 1.033 403 K CA -0.298 56.058 56.287 0.114 0.000 0.946 403 K CB 1.386 33.933 32.500 0.079 0.000 1.005 403 K HN 0.702 nan 8.250 nan 0.000 0.469 404 A N 2.936 125.876 122.820 0.200 0.000 2.413 404 A HA 0.613 4.934 4.320 0.002 0.000 0.307 404 A C -1.315 176.423 177.584 0.257 0.000 1.087 404 A CA -0.653 51.551 52.037 0.278 0.000 0.750 404 A CB 1.200 20.374 19.000 0.290 0.000 1.296 404 A HN 0.902 nan 8.150 nan 0.000 0.423 405 D N -0.544 120.039 120.400 0.305 0.000 2.694 405 D HA 0.545 5.186 4.640 0.002 0.000 0.260 405 D C -0.222 176.255 176.300 0.295 0.000 1.250 405 D CA 0.282 54.434 54.000 0.253 0.000 0.763 405 D CB 1.058 41.982 40.800 0.207 0.000 1.311 405 D HN 2.124 nan 8.370 nan 0.000 0.420 406 G N -1.376 107.568 108.800 0.241 0.000 2.423 406 G HA2 0.333 4.294 3.960 0.002 0.000 0.684 406 G HA3 0.333 4.294 3.960 0.002 0.000 0.684 406 G C 0.723 175.751 174.900 0.214 0.000 1.309 406 G CA 0.182 45.428 45.100 0.243 0.000 0.950 406 G HN 1.022 nan 8.290 nan 0.000 0.587 407 G N -0.562 108.354 108.800 0.195 0.000 2.503 407 G HA2 -0.188 3.773 3.960 0.002 0.000 0.221 407 G HA3 -0.188 3.773 3.960 0.002 0.000 0.221 407 G C 1.840 176.810 174.900 0.116 0.000 1.131 407 G CA 1.930 47.119 45.100 0.149 0.000 0.756 407 G HN 0.675 nan 8.290 nan 0.000 0.572 408 M N 0.508 120.185 119.600 0.130 0.000 2.349 408 M HA 0.108 4.589 4.480 0.002 0.000 0.266 408 M C 3.013 179.347 176.300 0.057 0.000 1.076 408 M CA 0.893 56.208 55.300 0.024 0.000 1.126 408 M CB -0.140 32.397 32.600 -0.106 0.000 1.392 408 M HN 0.325 nan 8.290 nan 0.000 0.440 409 A N 0.472 123.351 122.820 0.099 0.000 2.084 409 A HA -0.220 4.101 4.320 0.002 0.000 0.221 409 A C 1.876 179.492 177.584 0.053 0.000 1.161 409 A CA 1.480 53.553 52.037 0.060 0.000 0.653 409 A CB -0.694 18.386 19.000 0.133 0.000 0.802 409 A HN 0.611 nan 8.150 nan 0.000 0.457 410 Q N -0.418 119.423 119.800 0.068 0.000 2.364 410 Q HA -0.082 4.259 4.340 0.002 0.000 0.207 410 Q C 0.470 176.492 176.000 0.036 0.000 0.970 410 Q CA 0.438 56.277 55.803 0.060 0.000 0.888 410 Q CB -0.181 28.595 28.738 0.062 0.000 0.951 410 Q HN 0.607 nan 8.270 nan 0.000 0.469 411 N N 1.111 119.824 118.700 0.022 0.000 2.469 411 N HA 0.038 4.779 4.740 0.002 0.000 0.239 411 N C 0.352 175.831 175.510 -0.051 0.000 1.053 411 N CA 0.007 53.062 53.050 0.008 0.000 0.937 411 N CB 0.512 39.011 38.487 0.019 0.000 1.163 411 N HN 0.114 nan 8.380 nan 0.000 0.509 412 R N 2.028 122.489 120.500 -0.064 0.000 2.081 412 R HA -0.162 4.179 4.340 0.002 0.000 0.235 412 R C 1.634 177.759 176.300 -0.291 0.000 1.131 412 R CA 0.940 56.932 56.100 -0.180 0.000 0.960 412 R CB -0.418 29.904 30.300 0.037 0.000 0.856 412 R HN 0.430 nan 8.270 nan 0.000 0.436 413 L N 0.966 122.116 121.223 -0.121 0.000 1.971 413 L HA -0.207 4.134 4.340 0.002 0.000 0.215 413 L C 2.199 178.980 176.870 -0.148 0.000 1.072 413 L CA 1.693 56.471 54.840 -0.103 0.000 0.758 413 L CB -0.797 41.244 42.059 -0.029 0.000 0.889 413 L HN 0.109 nan 8.230 nan 0.000 0.433 414 F N -0.430 119.374 119.950 -0.243 0.000 2.085 414 F HA -0.345 4.183 4.527 0.002 0.000 0.299 414 F C 2.095 177.672 175.800 -0.373 0.000 1.096 414 F CA 2.084 59.917 58.000 -0.279 0.000 1.227 414 F CB -0.185 38.650 39.000 -0.276 0.000 0.983 414 F HN 0.123 nan 8.300 nan 0.000 0.482 415 L N 0.138 120.910 121.223 -0.751 0.000 2.083 415 L HA -0.233 4.108 4.340 0.002 0.000 0.209 415 L C 2.607 179.034 176.870 -0.738 0.000 1.083 415 L CA 1.284 55.557 54.840 -0.945 0.000 0.752 415 L CB -0.820 40.563 42.059 -1.126 0.000 0.899 415 L HN 0.123 nan 8.230 nan 0.000 0.433 416 K N 0.898 120.930 120.400 -0.613 0.000 2.097 416 K HA -0.128 4.193 4.320 0.002 0.000 0.206 416 K C 2.021 178.468 176.600 -0.255 0.000 1.049 416 K CA 1.396 57.508 56.287 -0.292 0.000 0.933 416 K CB -0.150 32.262 32.500 -0.146 0.000 0.717 416 K HN 0.299 nan 8.250 nan 0.000 0.442 417 I N 0.810 121.195 120.570 -0.309 0.000 2.226 417 I HA -0.294 3.877 4.170 0.002 0.000 0.245 417 I C 2.655 178.548 176.117 -0.373 0.000 1.100 417 I CA 1.098 62.229 61.300 -0.281 0.000 1.374 417 I CB -0.272 37.592 38.000 -0.226 0.000 1.057 417 I HN 0.191 nan 8.210 nan 0.000 0.413 418 Q N 1.469 120.936 119.800 -0.554 0.000 2.030 418 Q HA -0.214 4.127 4.340 0.002 0.000 0.204 418 Q C 2.187 178.002 176.000 -0.310 0.000 0.986 418 Q CA 2.579 58.071 55.803 -0.519 0.000 0.843 418 Q CB -0.432 27.886 28.738 -0.701 0.000 0.904 418 Q HN 0.484 nan 8.270 nan 0.000 0.420 419 A N 0.486 123.154 122.820 -0.253 0.000 1.883 419 A HA -0.230 4.091 4.320 0.002 0.000 0.217 419 A C 1.915 179.431 177.584 -0.113 0.000 1.186 419 A CA 1.959 53.917 52.037 -0.131 0.000 0.624 419 A CB -0.973 17.995 19.000 -0.054 0.000 0.822 419 A HN 0.513 nan 8.150 nan 0.000 0.444 420 D N -0.054 120.271 120.400 -0.125 0.000 2.117 420 D HA -0.099 4.542 4.640 0.002 0.000 0.197 420 D C 1.854 178.093 176.300 -0.101 0.000 0.987 420 D CA 1.035 54.980 54.000 -0.092 0.000 0.829 420 D CB -0.314 40.436 40.800 -0.083 0.000 0.961 420 D HN 0.444 nan 8.370 nan 0.000 0.460 421 L N -0.114 121.004 121.223 -0.174 0.000 2.395 421 L HA -0.045 4.296 4.340 0.002 0.000 0.218 421 L C 2.003 178.793 176.870 -0.134 0.000 1.130 421 L CA 0.117 54.849 54.840 -0.179 0.000 0.826 421 L CB 0.071 41.873 42.059 -0.429 0.000 0.941 421 L HN 0.037 nan 8.230 nan 0.000 0.451 422 L N -0.328 120.810 121.223 -0.140 0.000 2.354 422 L HA 0.237 4.578 4.340 0.002 0.000 0.212 422 L C 1.458 178.277 176.870 -0.085 0.000 1.091 422 L CA 1.067 55.837 54.840 -0.116 0.000 0.828 422 L CB -0.284 41.709 42.059 -0.110 0.000 0.973 422 L HN 0.270 nan 8.230 nan 0.000 0.461 423 G N -0.046 108.713 108.800 -0.069 0.000 2.221 423 G HA2 -0.197 3.765 3.960 0.002 0.000 0.265 423 G HA3 -0.197 3.765 3.960 0.002 0.000 0.265 423 G C -0.150 174.727 174.900 -0.038 0.000 1.041 423 G CA 0.375 45.448 45.100 -0.045 0.000 0.807 423 G HN 0.254 nan 8.290 nan 0.000 0.502 424 V N -0.436 119.454 119.914 -0.040 0.000 2.851 424 V HA 0.484 4.605 4.120 0.002 0.000 0.307 424 V C -2.259 173.826 176.094 -0.014 0.000 1.129 424 V CA -1.674 60.611 62.300 -0.026 0.000 0.932 424 V CB 2.650 34.455 31.823 -0.029 0.000 1.024 424 V HN 0.076 nan 8.190 nan 0.000 0.426 425 P HA 0.136 nan 4.420 nan 0.000 0.265 425 P C -1.001 176.323 177.300 0.039 0.000 1.187 425 P CA 0.198 63.312 63.100 0.023 0.000 0.766 425 P CB 0.479 32.189 31.700 0.016 0.000 0.820 426 V N 2.693 122.657 119.914 0.084 0.000 2.483 426 V HA 0.657 4.778 4.120 0.002 0.000 0.297 426 V C 0.068 176.273 176.094 0.185 0.000 1.027 426 V CA -0.627 61.739 62.300 0.110 0.000 0.855 426 V CB 1.520 33.379 31.823 0.060 0.000 0.995 426 V HN 0.638 nan 8.190 nan 0.000 0.424 427 A N 4.715 127.624 122.820 0.149 0.000 2.340 427 A HA 0.947 5.268 4.320 0.002 0.000 0.331 427 A C -0.833 176.863 177.584 0.186 0.000 1.140 427 A CA -0.577 51.548 52.037 0.147 0.000 0.801 427 A CB 1.779 20.848 19.000 0.116 0.000 1.234 427 A HN 0.641 nan 8.150 nan 0.000 0.469 428 V N 2.573 122.590 119.914 0.172 0.000 2.715 428 V HA 0.549 4.671 4.120 0.002 0.000 0.310 428 V C -2.380 173.789 176.094 0.125 0.000 1.054 428 V CA -1.642 60.765 62.300 0.179 0.000 0.928 428 V CB 1.956 33.899 31.823 0.200 0.000 1.007 428 V HN 0.836 nan 8.190 nan 0.000 0.437 429 P HA 0.432 nan 4.420 nan 0.000 0.283 429 P C 0.298 177.571 177.300 -0.045 0.000 1.278 429 P CA -0.572 62.528 63.100 0.001 0.000 0.834 429 P CB 1.217 32.994 31.700 0.128 0.000 1.150 430 E N -0.803 119.309 120.200 -0.146 0.000 2.216 430 E HA 0.018 4.369 4.350 0.002 0.000 0.192 430 E C -0.098 176.484 176.600 -0.029 0.000 0.988 430 E CA 0.803 57.150 56.400 -0.089 0.000 0.834 430 E CB 0.070 29.691 29.700 -0.131 0.000 0.772 430 E HN 0.136 nan 8.360 nan 0.000 0.479 431 V N 2.476 122.380 119.914 -0.015 0.000 2.304 431 V HA -0.004 4.117 4.120 0.002 0.000 0.269 431 V C 1.414 177.570 176.094 0.104 0.000 1.036 431 V CA 0.095 62.431 62.300 0.062 0.000 0.840 431 V CB 0.777 32.643 31.823 0.070 0.000 1.036 431 V HN 0.265 nan 8.190 nan 0.000 0.466 432 T N 0.804 115.424 114.554 0.110 0.000 2.777 432 T HA -0.070 4.282 4.350 0.002 0.000 0.266 432 T C 0.832 175.627 174.700 0.157 0.000 1.040 432 T CA 0.696 62.873 62.100 0.128 0.000 1.141 432 T CB -0.112 68.822 68.868 0.110 0.000 0.868 432 T HN 0.519 nan 8.240 nan 0.000 0.444 433 E N 2.257 122.565 120.200 0.181 0.000 2.127 433 E HA 0.082 4.433 4.350 0.002 0.000 0.295 433 E C 0.848 177.592 176.600 0.240 0.000 1.155 433 E CA 0.046 56.578 56.400 0.219 0.000 1.201 433 E CB -0.012 29.835 29.700 0.245 0.000 1.083 433 E HN 0.574 nan 8.360 nan 0.000 0.472 434 T N 0.179 114.840 114.554 0.179 0.000 2.812 434 T HA -0.108 4.243 4.350 0.002 0.000 0.264 434 T C 1.855 176.627 174.700 0.119 0.000 1.042 434 T CA 1.273 63.457 62.100 0.140 0.000 1.140 434 T CB 0.074 69.031 68.868 0.148 0.000 0.870 434 T HN 0.330 nan 8.240 nan 0.000 0.445 435 T N 2.217 116.855 114.554 0.140 0.000 2.720 435 T HA -0.100 4.251 4.350 0.002 0.000 0.268 435 T C 2.391 177.164 174.700 0.123 0.000 1.037 435 T CA 1.276 63.450 62.100 0.124 0.000 1.144 435 T CB -0.581 68.364 68.868 0.127 0.000 0.864 435 T HN 0.445 nan 8.240 nan 0.000 0.444 436 A N 1.353 124.284 122.820 0.185 0.000 1.858 436 A HA -0.030 4.292 4.320 0.002 0.000 0.216 436 A C 2.272 179.892 177.584 0.060 0.000 1.190 436 A CA 1.522 53.716 52.037 0.262 0.000 0.617 436 A CB -0.982 18.322 19.000 0.507 0.000 0.827 436 A HN 0.408 nan 8.150 nan 0.000 0.443 437 L N 0.290 121.417 121.223 -0.160 0.000 2.042 437 L HA -0.092 4.249 4.340 0.002 0.000 0.210 437 L C 2.410 179.113 176.870 -0.279 0.000 1.076 437 L CA 2.415 56.865 54.840 -0.650 0.000 0.749 437 L CB -1.069 40.721 42.059 -0.447 0.000 0.893 437 L HN 0.338 nan 8.230 nan 0.000 0.432 438 G N -1.087 107.671 108.800 -0.070 0.000 2.476 438 G HA2 -0.327 3.634 3.960 0.002 0.000 0.218 438 G HA3 -0.327 3.634 3.960 0.002 0.000 0.218 438 G C 1.576 176.532 174.900 0.093 0.000 1.164 438 G CA 1.130 46.275 45.100 0.074 0.000 0.768 438 G HN 0.682 nan 8.290 nan 0.000 0.560 439 A N 1.351 124.190 122.820 0.032 0.000 1.835 439 A HA 0.214 4.535 4.320 0.002 0.000 0.215 439 A C 2.915 180.497 177.584 -0.003 0.000 1.199 439 A CA 2.798 54.845 52.037 0.016 0.000 0.615 439 A CB -1.242 17.784 19.000 0.044 0.000 0.838 439 A HN 1.044 nan 8.150 nan 0.000 0.444 440 A N -0.251 122.554 122.820 -0.026 0.000 1.896 440 A HA -0.215 4.107 4.320 0.002 0.000 0.220 440 A C 2.229 179.789 177.584 -0.040 0.000 1.206 440 A CA 1.954 53.971 52.037 -0.032 0.000 0.647 440 A CB -0.926 18.008 19.000 -0.111 0.000 0.828 440 A HN 0.526 nan 8.150 nan 0.000 0.455 441 L N -2.051 119.130 121.223 -0.069 0.000 2.012 441 L HA -0.239 4.102 4.340 0.002 0.000 0.210 441 L C 2.785 179.727 176.870 0.119 0.000 1.073 441 L CA 1.915 56.757 54.840 0.003 0.000 0.748 441 L CB -0.537 41.490 42.059 -0.052 0.000 0.891 441 L HN 0.530 nan 8.230 nan 0.000 0.431 442 M N 0.245 119.928 119.600 0.138 0.000 2.149 442 M HA -0.178 4.303 4.480 0.002 0.000 0.261 442 M C 2.192 178.458 176.300 -0.058 0.000 1.064 442 M CA 2.033 57.294 55.300 -0.065 0.000 1.102 442 M CB -0.528 31.917 32.600 -0.258 0.000 1.369 442 M HN 0.204 nan 8.290 nan 0.000 0.408 443 A N -0.555 122.249 122.820 -0.026 0.000 1.841 443 A HA 0.077 4.398 4.320 0.002 0.000 0.214 443 A C 2.392 179.980 177.584 0.007 0.000 1.195 443 A CA 1.677 53.706 52.037 -0.013 0.000 0.611 443 A CB -1.845 17.158 19.000 0.004 0.000 0.835 443 A HN 0.585 nan 8.150 nan 0.000 0.443 444 G N -0.772 108.037 108.800 0.016 0.000 2.499 444 G HA2 -0.098 3.863 3.960 0.002 0.000 0.221 444 G HA3 -0.098 3.863 3.960 0.002 0.000 0.221 444 G C 1.376 176.286 174.900 0.017 0.000 1.109 444 G CA 1.336 46.448 45.100 0.020 0.000 0.749 444 G HN 0.346 nan 8.290 nan 0.000 0.568 445 V N 0.984 120.908 119.914 0.017 0.000 2.407 445 V HA 0.041 4.162 4.120 0.002 0.000 0.245 445 V C 3.042 179.135 176.094 -0.001 0.000 1.041 445 V CA 1.731 64.038 62.300 0.013 0.000 1.040 445 V CB -0.729 31.108 31.823 0.023 0.000 0.671 445 V HN 0.405 nan 8.190 nan 0.000 0.455 446 G N -0.256 108.539 108.800 -0.009 0.000 2.443 446 G HA2 -0.055 3.906 3.960 0.002 0.000 0.219 446 G HA3 -0.055 3.906 3.960 0.002 0.000 0.219 446 G C 1.337 176.248 174.900 0.018 0.000 1.131 446 G CA 0.746 45.848 45.100 0.003 0.000 0.775 446 G HN 0.604 nan 8.290 nan 0.000 0.547 447 A N -0.063 122.769 122.820 0.019 0.000 2.327 447 A HA 0.496 4.817 4.320 0.002 0.000 0.228 447 A C 2.056 179.652 177.584 0.020 0.000 1.275 447 A CA 1.069 53.120 52.037 0.024 0.000 0.875 447 A CB -0.698 18.319 19.000 0.028 0.000 0.925 447 A HN 1.415 nan 8.150 nan 0.000 0.493 448 G N -1.198 107.612 108.800 0.016 0.000 2.228 448 G HA2 -0.298 3.664 3.960 0.002 0.000 0.270 448 G HA3 -0.298 3.664 3.960 0.002 0.000 0.270 448 G C 1.375 176.283 174.900 0.013 0.000 0.976 448 G CA 1.328 46.437 45.100 0.014 0.000 0.636 448 G HN 1.427 nan 8.290 nan 0.000 0.542 449 A N -0.001 122.828 122.820 0.016 0.000 1.834 449 A HA 0.429 4.750 4.320 0.002 0.000 0.216 449 A C 1.488 179.078 177.584 0.009 0.000 1.203 449 A CA 1.874 53.920 52.037 0.016 0.000 0.621 449 A CB -0.436 18.577 19.000 0.021 0.000 0.841 449 A HN 1.641 nan 8.150 nan 0.000 0.446 450 L N -2.487 118.740 121.223 0.007 0.000 2.342 450 L HA 0.750 5.091 4.340 0.002 0.000 0.271 450 L C -0.130 176.742 176.870 0.003 0.000 1.008 450 L CA -0.583 54.257 54.840 -0.001 0.000 0.818 450 L CB 2.107 44.158 42.059 -0.013 0.000 1.296 450 L HN 0.256 nan 8.230 nan 0.000 0.427 451 S N 0.101 115.799 115.700 -0.003 0.000 2.722 451 S HA 0.608 5.080 4.470 0.002 0.000 0.292 451 S C -1.778 172.820 174.600 -0.004 0.000 1.135 451 S CA -1.285 56.917 58.200 0.003 0.000 1.003 451 S CB 1.483 64.683 63.200 0.000 0.000 1.067 451 S HN 0.673 nan 8.310 nan 0.000 0.546 452 P HA -0.135 nan 4.420 nan 0.000 0.216 452 P C 0.699 177.957 177.300 -0.069 0.000 1.153 452 P CA 1.423 64.517 63.100 -0.010 0.000 0.858 452 P CB -0.086 31.633 31.700 0.032 0.000 0.789 453 E N -0.223 119.955 120.200 -0.037 0.000 2.401 453 E HA -0.118 4.233 4.350 0.002 0.000 0.199 453 E C 1.258 177.829 176.600 -0.047 0.000 1.023 453 E CA 0.814 57.191 56.400 -0.038 0.000 0.859 453 E CB -0.882 28.808 29.700 -0.017 0.000 0.780 453 E HN 0.329 nan 8.360 nan 0.000 0.523 454 D N -1.153 119.214 120.400 -0.055 0.000 2.349 454 D HA -0.006 4.635 4.640 0.002 0.000 0.215 454 D C 1.271 177.519 176.300 -0.088 0.000 1.016 454 D CA 0.262 54.228 54.000 -0.056 0.000 0.870 454 D CB 0.437 41.211 40.800 -0.043 0.000 0.917 454 D HN 0.066 nan 8.370 nan 0.000 0.524 455 V N 0.285 120.113 119.914 -0.143 0.000 2.949 455 V HA 0.117 4.239 4.120 0.002 0.000 0.245 455 V C 2.197 178.196 176.094 -0.158 0.000 1.086 455 V CA 1.068 63.234 62.300 -0.223 0.000 1.097 455 V CB 0.208 31.749 31.823 -0.469 0.000 0.762 455 V HN 0.139 nan 8.190 nan 0.000 0.470 456 A N 0.787 123.529 122.820 -0.130 0.000 1.854 456 A HA 0.027 4.349 4.320 0.002 0.000 0.214 456 A C 2.199 179.790 177.584 0.012 0.000 1.192 456 A CA 1.629 53.624 52.037 -0.069 0.000 0.611 456 A CB -1.085 17.874 19.000 -0.069 0.000 0.832 456 A HN 0.513 nan 8.150 nan 0.000 0.442 457 G N -1.533 107.263 108.800 -0.007 0.000 2.956 457 G HA2 0.045 4.006 3.960 0.002 0.000 0.207 457 G HA3 0.045 4.006 3.960 0.002 0.000 0.207 457 G C 1.326 176.228 174.900 0.003 0.000 1.162 457 G CA 0.605 45.708 45.100 0.006 0.000 0.796 457 G HN 0.484 nan 8.290 nan 0.000 0.527 458 R N -1.115 119.388 120.500 0.004 0.000 2.373 458 R HA 0.261 4.602 4.340 0.002 0.000 0.221 458 R C 0.000 176.299 176.300 -0.002 0.000 0.893 458 R CA -0.704 55.387 56.100 -0.016 0.000 1.049 458 R CB 0.071 30.347 30.300 -0.040 0.000 1.119 458 R HN 0.214 nan 8.270 nan 0.000 0.535 459 F N 1.446 121.338 119.950 -0.097 0.000 2.471 459 F HA 0.336 4.864 4.527 0.002 0.000 0.353 459 F C -0.342 175.423 175.800 -0.059 0.000 1.113 459 F CA 0.008 57.954 58.000 -0.089 0.000 1.262 459 F CB 0.639 39.579 39.000 -0.099 0.000 1.146 459 F HN -0.233 nan 8.300 nan 0.000 0.578 460 R N 3.947 123.782 120.500 -1.108 0.000 2.538 460 R HA 0.211 4.553 4.340 0.002 0.000 0.292 460 R C -1.340 174.427 176.300 -0.890 0.000 1.008 460 R CA -0.711 54.950 56.100 -0.731 0.000 0.896 460 R CB 1.457 31.531 30.300 -0.377 0.000 1.187 460 R HN 0.758 nan 8.270 nan 0.000 0.440 461 E N 2.560 122.481 120.200 -0.466 0.000 2.229 461 E HA 0.293 4.644 4.350 0.002 0.000 0.283 461 E C -0.089 176.414 176.600 -0.160 0.000 1.030 461 E CA -0.006 56.258 56.400 -0.228 0.000 0.836 461 E CB 1.360 31.043 29.700 -0.029 0.000 1.068 461 E HN 0.755 nan 8.360 nan 0.000 0.401 462 A N 5.060 127.807 122.820 -0.120 0.000 1.861 462 A HA 0.054 4.376 4.320 0.002 0.000 0.212 462 A C 0.622 178.150 177.584 -0.094 0.000 1.199 462 A CA 0.938 52.920 52.037 -0.092 0.000 0.613 462 A CB 0.158 19.125 19.000 -0.055 0.000 0.846 462 A HN 0.746 nan 8.150 nan 0.000 0.446 463 E N -2.489 117.653 120.200 -0.096 0.000 2.421 463 E HA 0.571 4.923 4.350 0.002 0.000 0.265 463 E C -1.285 175.202 176.600 -0.189 0.000 0.990 463 E CA -0.921 55.364 56.400 -0.191 0.000 0.874 463 E CB 1.658 31.167 29.700 -0.320 0.000 1.646 463 E HN 0.508 nan 8.360 nan 0.000 0.451 464 R N -0.023 120.252 120.500 -0.375 0.000 2.664 464 R HA 0.443 4.785 4.340 0.002 0.000 0.260 464 R C -1.942 174.065 176.300 -0.489 0.000 1.062 464 R CA -0.719 55.233 56.100 -0.246 0.000 0.902 464 R CB 0.406 30.656 30.300 -0.083 0.000 1.258 464 R HN 0.240 nan 8.270 nan 0.000 0.465 465 F N 2.245 122.172 119.950 -0.038 0.000 2.458 465 F HA 0.513 5.041 4.527 0.002 0.000 0.336 465 F C -0.016 175.753 175.800 -0.051 0.000 1.114 465 F CA -0.937 57.032 58.000 -0.051 0.000 0.987 465 F CB 1.688 40.642 39.000 -0.076 0.000 1.130 465 F HN 0.186 nan 8.300 nan 0.000 0.458 466 L N 4.246 125.516 121.223 0.079 0.000 2.357 466 L HA 0.512 4.854 4.340 0.002 0.000 0.273 466 L C -2.351 174.539 176.870 0.032 0.000 1.080 466 L CA -2.016 52.844 54.840 0.034 0.000 0.803 466 L CB 0.968 43.029 42.059 0.003 0.000 1.174 466 L HN 0.348 nan 8.230 nan 0.000 0.443 467 P HA 0.137 nan 4.420 nan 0.000 0.281 467 P C 0.176 177.476 177.300 -0.001 0.000 1.286 467 P CA -0.314 62.783 63.100 -0.005 0.000 0.772 467 P CB 0.834 32.525 31.700 -0.015 0.000 0.862 468 T N -0.761 113.793 114.554 0.000 0.000 3.054 468 T HA 0.207 4.558 4.350 0.002 0.000 0.255 468 T C 0.674 175.377 174.700 0.004 0.000 1.035 468 T CA -0.119 61.984 62.100 0.004 0.000 0.941 468 T CB -0.130 68.743 68.868 0.008 0.000 1.026 468 T HN 0.263 nan 8.240 nan 0.000 0.533 469 M N 4.132 123.732 119.600 0.000 0.000 2.120 469 M HA 0.345 4.827 4.480 0.002 0.000 0.354 469 M C -2.281 174.027 176.300 0.012 0.000 1.287 469 M CA -2.159 53.145 55.300 0.008 0.000 1.103 469 M CB 1.040 33.643 32.600 0.005 0.000 1.623 469 M HN -0.083 nan 8.290 nan 0.000 0.471 470 P HA -0.018 nan 4.420 nan 0.000 0.269 470 P C -0.151 177.165 177.300 0.026 0.000 1.215 470 P CA 0.183 63.295 63.100 0.020 0.000 0.780 470 P CB 0.482 32.195 31.700 0.022 0.000 0.898 471 E N 2.117 122.331 120.200 0.022 0.000 2.086 471 E HA -0.226 4.125 4.350 0.002 0.000 0.200 471 E C 2.029 178.653 176.600 0.041 0.000 1.012 471 E CA 2.057 58.473 56.400 0.026 0.000 0.812 471 E CB -1.026 28.686 29.700 0.019 0.000 0.743 471 E HN 0.626 nan 8.360 nan 0.000 0.453 472 G N 0.846 109.670 108.800 0.040 0.000 2.491 472 G HA2 -0.389 3.573 3.960 0.002 0.000 0.218 472 G HA3 -0.389 3.573 3.960 0.002 0.000 0.218 472 G C 1.754 176.693 174.900 0.065 0.000 1.180 472 G CA 1.152 46.281 45.100 0.048 0.000 0.774 472 G HN 0.256 nan 8.290 nan 0.000 0.562 473 R N 0.654 121.193 120.500 0.065 0.000 2.083 473 R HA -0.023 4.318 4.340 0.002 0.000 0.237 473 R C 2.566 178.935 176.300 0.116 0.000 1.137 473 R CA 1.957 58.108 56.100 0.084 0.000 0.951 473 R CB -0.729 29.613 30.300 0.069 0.000 0.851 473 R HN 0.402 nan 8.270 nan 0.000 0.434 474 R N 0.127 120.687 120.500 0.099 0.000 2.094 474 R HA -0.161 4.180 4.340 0.002 0.000 0.239 474 R C 1.607 178.021 176.300 0.191 0.000 1.137 474 R CA 1.989 58.165 56.100 0.126 0.000 0.943 474 R CB -0.227 30.112 30.300 0.064 0.000 0.850 474 R HN 0.230 nan 8.270 nan 0.000 0.433 475 E N 0.276 120.565 120.200 0.148 0.000 2.150 475 E HA -0.126 4.225 4.350 0.002 0.000 0.193 475 E C 1.861 178.578 176.600 0.194 0.000 0.985 475 E CA 1.178 57.687 56.400 0.182 0.000 0.814 475 E CB -0.285 29.486 29.700 0.119 0.000 0.752 475 E HN 0.507 nan 8.360 nan 0.000 0.466 476 A N 1.341 124.252 122.820 0.151 0.000 1.877 476 A HA -0.128 4.193 4.320 0.002 0.000 0.216 476 A C 2.393 180.067 177.584 0.150 0.000 1.186 476 A CA 1.043 53.153 52.037 0.122 0.000 0.620 476 A CB -0.723 18.340 19.000 0.104 0.000 0.822 476 A HN 0.181 nan 8.150 nan 0.000 0.443 477 L N -2.222 119.146 121.223 0.241 0.000 2.012 477 L HA -0.225 4.116 4.340 0.002 0.000 0.210 477 L C 2.617 179.632 176.870 0.242 0.000 1.073 477 L CA 1.930 56.981 54.840 0.352 0.000 0.748 477 L CB -0.731 41.656 42.059 0.547 0.000 0.891 477 L HN 0.540 nan 8.230 nan 0.000 0.431 478 Y N 1.175 121.602 120.300 0.213 0.000 2.165 478 Y HA -0.244 4.307 4.550 0.002 0.000 0.286 478 Y C 2.785 178.695 175.900 0.018 0.000 1.155 478 Y CA 1.487 59.678 58.100 0.152 0.000 1.164 478 Y CB -0.207 38.376 38.460 0.206 0.000 0.978 478 Y HN 0.045 nan 8.280 nan 0.000 0.513 479 R N -0.589 119.899 120.500 -0.021 0.000 2.120 479 R HA -0.133 4.209 4.340 0.002 0.000 0.234 479 R C 2.170 178.298 176.300 -0.285 0.000 1.123 479 R CA 1.077 57.093 56.100 -0.141 0.000 0.975 479 R CB -0.222 30.052 30.300 -0.044 0.000 0.866 479 R HN 0.240 nan 8.270 nan 0.000 0.446 480 R N 0.643 120.947 120.500 -0.326 0.000 2.062 480 R HA -0.144 4.197 4.340 0.002 0.000 0.231 480 R C 1.938 177.709 176.300 -0.881 0.000 1.136 480 R CA 1.142 56.874 56.100 -0.612 0.000 0.948 480 R CB -1.010 28.855 30.300 -0.725 0.000 0.845 480 R HN 0.503 nan 8.270 nan 0.000 0.430 481 W N 2.167 122.828 121.300 -1.064 0.000 2.338 481 W HA -0.194 4.467 4.660 0.002 0.000 0.304 481 W C 1.427 177.554 176.519 -0.654 0.000 1.212 481 W CA 1.104 57.875 57.345 -0.957 0.000 1.264 481 W CB -0.168 28.454 29.460 -1.398 0.000 1.142 481 W HN 0.006 nan 8.180 nan 0.000 0.512 482 R N 0.584 120.604 120.500 -0.800 0.000 2.152 482 R HA -0.165 4.176 4.340 0.002 0.000 0.232 482 R C 1.918 177.864 176.300 -0.589 0.000 1.117 482 R CA 1.690 57.353 56.100 -0.728 0.000 0.981 482 R CB -0.528 29.449 30.300 -0.538 0.000 0.870 482 R HN 0.206 nan 8.270 nan 0.000 0.451 483 E N 0.435 120.321 120.200 -0.524 0.000 2.112 483 E HA 0.020 4.371 4.350 0.002 0.000 0.190 483 E C 1.659 177.990 176.600 -0.448 0.000 0.979 483 E CA 1.230 57.389 56.400 -0.402 0.000 0.814 483 E CB -0.117 29.387 29.700 -0.327 0.000 0.762 483 E HN 0.205 nan 8.360 nan 0.000 0.460 484 A N 0.262 122.738 122.820 -0.574 0.000 1.902 484 A HA -0.138 4.184 4.320 0.002 0.000 0.217 484 A C 2.458 179.688 177.584 -0.590 0.000 1.181 484 A CA 1.732 53.463 52.037 -0.510 0.000 0.623 484 A CB -0.810 17.906 19.000 -0.473 0.000 0.818 484 A HN 0.180 nan 8.150 nan 0.000 0.443 485 V N 0.428 119.809 119.914 -0.888 0.000 2.490 485 V HA -0.194 3.928 4.120 0.002 0.000 0.250 485 V C 2.341 178.085 176.094 -0.583 0.000 1.061 485 V CA 1.928 63.706 62.300 -0.870 0.000 1.064 485 V CB -0.739 30.407 31.823 -1.129 0.000 0.670 485 V HN 0.506 nan 8.190 nan 0.000 0.461 486 E N 0.316 120.234 120.200 -0.471 0.000 2.333 486 E HA -0.131 4.220 4.350 0.002 0.000 0.198 486 E C 2.156 178.621 176.600 -0.225 0.000 1.007 486 E CA 0.776 56.990 56.400 -0.310 0.000 0.845 486 E CB -0.147 29.406 29.700 -0.245 0.000 0.766 486 E HN 0.590 nan 8.360 nan 0.000 0.507 487 R N -0.519 119.839 120.500 -0.237 0.000 2.334 487 R HA 0.246 4.587 4.340 0.002 0.000 0.216 487 R C 1.655 177.878 176.300 -0.129 0.000 0.905 487 R CA 0.468 56.477 56.100 -0.151 0.000 1.064 487 R CB 0.485 30.697 30.300 -0.146 0.000 1.046 487 R HN -0.008 nan 8.270 nan 0.000 0.508 488 A N 1.037 123.747 122.820 -0.183 0.000 2.063 488 A HA 0.108 4.430 4.320 0.002 0.000 0.211 488 A C 0.566 178.123 177.584 -0.045 0.000 1.177 488 A CA 0.145 52.098 52.037 -0.140 0.000 0.759 488 A CB 0.258 19.130 19.000 -0.212 0.000 0.857 488 A HN 0.024 nan 8.150 nan 0.000 0.468 489 K N -0.014 120.326 120.400 -0.099 0.000 2.489 489 K HA 0.289 4.610 4.320 0.002 0.000 0.278 489 K C 0.976 177.621 176.600 0.074 0.000 1.000 489 K CA 0.732 56.998 56.287 -0.036 0.000 1.012 489 K CB 0.070 32.505 32.500 -0.109 0.000 0.903 489 K HN 0.641 nan 8.250 nan 0.000 0.485 490 G N 3.005 111.888 108.800 0.138 0.000 2.179 490 G HA2 -0.238 3.723 3.960 0.002 0.000 0.257 490 G HA3 -0.238 3.723 3.960 0.002 0.000 0.257 490 G C 0.629 175.626 174.900 0.161 0.000 1.010 490 G CA 0.443 45.629 45.100 0.143 0.000 0.736 490 G HN 0.960 nan 8.290 nan 0.000 0.513 491 W N 0.443 121.775 121.300 0.053 0.000 2.354 491 W HA 0.195 4.856 4.660 0.002 0.000 0.315 491 W C 1.537 178.101 176.519 0.074 0.000 1.206 491 W CA 1.257 58.626 57.345 0.040 0.000 1.290 491 W CB -0.430 29.048 29.460 0.029 0.000 1.152 491 W HN 0.802 nan 8.180 nan 0.000 0.489 492 A N 2.527 125.447 122.820 0.166 0.000 2.566 492 A HA -0.034 4.287 4.320 0.002 0.000 0.245 492 A C 1.280 178.861 177.584 -0.005 0.000 1.056 492 A CA -0.003 52.104 52.037 0.117 0.000 0.757 492 A CB 0.138 19.355 19.000 0.361 0.000 0.979 492 A HN 0.341 nan 8.150 nan 0.000 0.508 493 R N 1.170 121.588 120.500 -0.138 0.000 2.330 493 R HA -0.185 4.156 4.340 0.002 0.000 0.271 493 R C 0.472 176.646 176.300 -0.209 0.000 1.206 493 R CA 1.613 57.606 56.100 -0.178 0.000 1.032 493 R CB -0.899 29.331 30.300 -0.118 0.000 0.881 493 R HN 0.935 nan 8.270 nan 0.000 0.489 494 E N 0.000 120.044 120.200 -0.259 0.000 2.725 494 E HA 0.000 4.351 4.350 0.002 0.000 0.291 494 E CA 0.000 55.922 56.400 -0.797 0.000 0.976 494 E CB 0.000 29.271 29.700 -0.715 0.000 0.812 494 E HN 0.000 nan 8.360 nan 0.000 0.440