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 1tyt_1_B DATA FIRST_RESID 2 DATA SEQUENCE SRAYDLVVIG AGSGGLEAGW NAASLHKKRV AVIDLQKHHG PPHYAALGGT DATA SEQUENCE cVNVGcVPKK LMVTGANYMD TIRESAGFGW ELDRESVRPN WKALIAAKNK DATA SEQUENCE AVSGINDSYE GMFADTEGLT FHQGFGALQD NHTVLVRESA DPNSAVLETL DATA SEQUENCE DTEYILLATG SWPQHLGIEG DDLCITSNEA FYLDEAPKRA LCVGGGYISI DATA SEQUENCE EFAGIFNAYK ARGGQVDLAY RGDMILRGFD SELRKQLTEQ LRANGINVRT DATA SEQUENCE HENPAKVTKN ADGTRHVVFE SGAEADYDVV MLAIGRVPRS QTLQLDKAGV DATA SEQUENCE EVAKNGAIKV DAYSKTNVDN IYAIGDVTDR VMLTPVAINE GAAFVDTVFA DATA SEQUENCE NKPRATDHTK VACAVFSIPP MGVCGYVEED AAKKYDQVAV YESSFTPLMH DATA SEQUENCE NISGSTYKKF MVRIVTNHAD GEVLGVHMLG DSSPEIIQSV AICLKMGAKI DATA SEQUENCE SDFYNTIGVH PTSAEELCSM RTPAYFYQKG KRVEKI 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.560 174.600 -0.066 0.000 1.055 2 S CA 0.000 58.169 58.200 -0.052 0.000 1.107 2 S CB 0.000 63.178 63.200 -0.037 0.000 0.593 3 R N 0.246 120.718 120.500 -0.046 0.000 2.739 3 R HA 0.646 4.985 4.340 -0.000 0.000 0.271 3 R C 0.749 177.023 176.300 -0.044 0.000 1.010 3 R CA -0.183 55.894 56.100 -0.037 0.000 0.897 3 R CB 0.863 31.157 30.300 -0.010 0.000 1.236 3 R HN 0.691 nan 8.270 nan 0.000 0.466 4 A N 0.676 123.455 122.820 -0.068 0.000 1.978 4 A HA -0.076 4.244 4.320 -0.000 0.000 0.220 4 A C -0.055 177.265 177.584 -0.440 0.000 1.170 4 A CA 1.540 53.435 52.037 -0.237 0.000 0.636 4 A CB -0.236 18.626 19.000 -0.230 0.000 0.810 4 A HN 0.474 nan 8.150 nan 0.000 0.448 5 Y N -1.692 118.630 120.300 0.036 0.000 2.499 5 Y HA 0.341 4.891 4.550 -0.000 0.000 0.347 5 Y C 0.664 176.621 175.900 0.095 0.000 0.987 5 Y CA -1.229 56.905 58.100 0.056 0.000 1.044 5 Y CB 1.427 39.913 38.460 0.044 0.000 1.245 5 Y HN 0.092 nan 8.280 nan 0.000 0.461 6 D N 0.874 121.444 120.400 0.284 0.000 2.137 6 D HA -0.004 4.636 4.640 -0.000 0.000 0.202 6 D C -0.382 176.191 176.300 0.456 0.000 0.970 6 D CA 1.447 55.640 54.000 0.322 0.000 0.837 6 D CB 0.589 41.524 40.800 0.225 0.000 0.981 6 D HN 0.255 nan 8.370 nan 0.000 0.475 7 L N 0.390 121.825 121.223 0.352 0.000 2.455 7 L HA 0.341 4.681 4.340 -0.000 0.000 0.264 7 L C -1.537 175.436 176.870 0.172 0.000 0.968 7 L CA -0.627 54.424 54.840 0.353 0.000 0.827 7 L CB 2.546 44.828 42.059 0.373 0.000 1.317 7 L HN -0.354 nan 8.230 nan 0.000 0.407 8 V N 5.356 125.340 119.914 0.116 0.000 2.376 8 V HA 0.447 4.567 4.120 -0.000 0.000 0.287 8 V C -0.507 175.594 176.094 0.010 0.000 1.015 8 V CA -0.682 61.599 62.300 -0.031 0.000 0.834 8 V CB 1.777 33.537 31.823 -0.105 0.000 1.001 8 V HN 0.513 nan 8.190 nan 0.000 0.428 9 V N 6.765 126.682 119.914 0.006 0.000 2.406 9 V HA 0.403 4.522 4.120 -0.000 0.000 0.272 9 V C 0.155 176.235 176.094 -0.023 0.000 1.043 9 V CA -0.226 62.080 62.300 0.010 0.000 0.915 9 V CB 1.310 33.166 31.823 0.054 0.000 0.988 9 V HN 0.653 nan 8.190 nan 0.000 0.466 10 I N 4.864 125.414 120.570 -0.032 0.000 2.306 10 I HA 0.674 4.844 4.170 -0.000 0.000 0.288 10 I C 0.723 176.822 176.117 -0.031 0.000 1.036 10 I CA -0.040 61.232 61.300 -0.047 0.000 1.221 10 I CB 1.008 38.980 38.000 -0.046 0.000 1.385 10 I HN 0.861 nan 8.210 nan 0.000 0.472 11 G N 4.542 113.327 108.800 -0.025 0.000 3.306 11 G HA2 0.141 4.100 3.960 -0.000 0.000 0.672 11 G HA3 0.141 4.100 3.960 -0.000 0.000 0.672 11 G C -0.393 174.526 174.900 0.031 0.000 1.212 11 G CA -0.417 44.680 45.100 -0.006 0.000 1.150 11 G HN 0.859 nan 8.290 nan 0.000 0.509 12 A N 1.652 124.509 122.820 0.060 0.000 3.258 12 A HA 0.779 5.099 4.320 -0.000 0.000 0.275 12 A C 1.304 178.894 177.584 0.010 0.000 1.452 12 A CA 1.055 53.147 52.037 0.091 0.000 1.120 12 A CB -0.225 18.897 19.000 0.204 0.000 1.107 12 A HN 1.929 nan 8.150 nan 0.000 0.651 13 G N -0.741 108.064 108.800 0.007 0.000 2.736 13 G HA2 0.387 4.346 3.960 -0.000 0.000 0.229 13 G HA3 0.387 4.346 3.960 -0.000 0.000 0.229 13 G C 1.084 175.974 174.900 -0.016 0.000 1.380 13 G CA 0.497 45.592 45.100 -0.008 0.000 1.040 13 G HN 0.247 nan 8.290 nan 0.000 0.568 14 S N -0.265 115.439 115.700 0.006 0.000 2.365 14 S HA -0.136 4.333 4.470 -0.000 0.000 0.225 14 S C 2.410 177.027 174.600 0.028 0.000 1.039 14 S CA 1.845 60.054 58.200 0.015 0.000 1.033 14 S CB -0.680 62.540 63.200 0.033 0.000 0.887 14 S HN 0.764 nan 8.310 nan 0.000 0.447 15 G N 1.032 109.854 108.800 0.037 0.000 2.424 15 G HA2 0.025 3.985 3.960 -0.000 0.000 0.214 15 G HA3 0.025 3.985 3.960 -0.000 0.000 0.214 15 G C 1.485 176.414 174.900 0.049 0.000 1.202 15 G CA 0.780 45.907 45.100 0.045 0.000 0.793 15 G HN 0.562 nan 8.290 nan 0.000 0.534 16 G N 0.378 109.199 108.800 0.036 0.000 2.432 16 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.219 16 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.219 16 G C 1.670 176.615 174.900 0.075 0.000 1.135 16 G CA 0.773 45.900 45.100 0.046 0.000 0.767 16 G HN 0.322 nan 8.290 nan 0.000 0.550 17 L N 0.221 121.473 121.223 0.049 0.000 2.240 17 L HA 0.181 4.520 4.340 -0.000 0.000 0.211 17 L C 2.517 179.445 176.870 0.096 0.000 1.106 17 L CA 1.362 56.227 54.840 0.042 0.000 0.793 17 L CB -0.233 41.778 42.059 -0.080 0.000 0.927 17 L HN 0.250 nan 8.230 nan 0.000 0.446 18 E N -0.320 119.938 120.200 0.096 0.000 2.028 18 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 18 E C 2.208 178.927 176.600 0.198 0.000 0.988 18 E CA 1.472 57.957 56.400 0.143 0.000 0.799 18 E CB -0.184 29.583 29.700 0.112 0.000 0.755 18 E HN 0.370 nan 8.360 nan 0.000 0.447 19 A N 0.194 123.122 122.820 0.180 0.000 1.858 19 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 19 A C 2.505 180.215 177.584 0.209 0.000 1.190 19 A CA 1.949 54.129 52.037 0.238 0.000 0.617 19 A CB -1.451 17.680 19.000 0.217 0.000 0.827 19 A HN 0.417 nan 8.150 nan 0.000 0.443 20 G N -2.094 106.807 108.800 0.169 0.000 2.422 20 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 20 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 20 G C 1.439 176.401 174.900 0.104 0.000 1.146 20 G CA 1.072 46.251 45.100 0.132 0.000 0.769 20 G HN 0.673 nan 8.290 nan 0.000 0.547 21 W N 1.608 122.888 121.300 -0.033 0.000 2.443 21 W HA 0.042 4.702 4.660 -0.000 0.000 0.296 21 W C 2.252 178.750 176.519 -0.035 0.000 1.202 21 W CA 1.069 58.373 57.345 -0.068 0.000 1.312 21 W CB 0.037 29.447 29.460 -0.084 0.000 1.120 21 W HN 0.097 nan 8.180 nan 0.000 0.536 22 N N 0.540 119.350 118.700 0.182 0.000 2.166 22 N HA -0.153 4.586 4.740 -0.000 0.000 0.186 22 N C 1.752 177.209 175.510 -0.088 0.000 1.019 22 N CA 2.109 55.169 53.050 0.016 0.000 0.856 22 N CB -1.097 37.495 38.487 0.176 0.000 0.993 22 N HN 0.239 nan 8.380 nan 0.000 0.426 23 A N 0.565 123.352 122.820 -0.055 0.000 1.898 23 A HA 0.100 4.420 4.320 -0.000 0.000 0.216 23 A C 2.289 179.708 177.584 -0.275 0.000 1.181 23 A CA 1.786 53.708 52.037 -0.191 0.000 0.620 23 A CB -0.725 18.046 19.000 -0.382 0.000 0.819 23 A HN 0.315 nan 8.150 nan 0.000 0.442 24 A N -1.060 121.594 122.820 -0.276 0.000 1.832 24 A HA -0.036 4.284 4.320 -0.000 0.000 0.214 24 A C 2.510 179.857 177.584 -0.395 0.000 1.204 24 A CA 2.001 53.868 52.037 -0.284 0.000 0.606 24 A CB -1.119 17.741 19.000 -0.234 0.000 0.849 24 A HN 0.523 nan 8.150 nan 0.000 0.445 25 S N -0.791 114.508 115.700 -0.669 0.000 2.383 25 S HA -0.022 4.448 4.470 -0.000 0.000 0.227 25 S C 1.837 176.085 174.600 -0.588 0.000 1.026 25 S CA 1.412 59.146 58.200 -0.777 0.000 0.981 25 S CB -0.398 61.809 63.200 -1.656 0.000 0.818 25 S HN 0.426 nan 8.310 nan 0.000 0.472 26 L N -0.681 120.191 121.223 -0.584 0.000 2.253 26 L HA 0.173 4.512 4.340 -0.000 0.000 0.205 26 L C 1.966 178.378 176.870 -0.763 0.000 1.078 26 L CA 0.732 55.208 54.840 -0.607 0.000 0.805 26 L CB -0.457 41.219 42.059 -0.639 0.000 0.963 26 L HN 0.358 nan 8.230 nan 0.000 0.459 27 H N 0.087 119.025 119.070 -0.220 0.000 2.705 27 H HA 0.157 4.713 4.556 -0.000 0.000 0.269 27 H C 0.192 175.416 175.328 -0.172 0.000 0.998 27 H CA -0.042 55.900 56.048 -0.176 0.000 1.193 27 H CB 0.682 30.323 29.762 -0.201 0.000 1.485 27 H HN 0.058 nan 8.280 nan 0.000 0.521 28 K N 1.174 121.482 120.400 -0.152 0.000 3.161 28 K HA -0.127 4.193 4.320 -0.000 0.000 0.270 28 K C -0.219 176.324 176.600 -0.094 0.000 1.115 28 K CA 0.290 56.507 56.287 -0.118 0.000 0.789 28 K CB -0.432 32.019 32.500 -0.081 0.000 1.256 28 K HN 0.076 nan 8.250 nan 0.000 0.492 29 K N 0.613 120.923 120.400 -0.150 0.000 2.148 29 K HA 0.360 4.680 4.320 -0.000 0.000 0.239 29 K C 0.266 176.832 176.600 -0.056 0.000 1.018 29 K CA -0.648 55.551 56.287 -0.147 0.000 0.923 29 K CB 0.686 32.951 32.500 -0.391 0.000 1.117 29 K HN 0.052 nan 8.250 nan 0.000 0.477 30 R N 1.344 121.861 120.500 0.029 0.000 2.239 30 R HA 0.307 4.647 4.340 -0.000 0.000 0.332 30 R C -0.962 175.468 176.300 0.218 0.000 0.988 30 R CA -0.505 55.676 56.100 0.135 0.000 0.859 30 R CB 0.578 30.966 30.300 0.147 0.000 1.148 30 R HN 0.232 nan 8.270 nan 0.000 0.482 31 V N 2.768 122.783 119.914 0.168 0.000 2.435 31 V HA 0.531 4.650 4.120 -0.000 0.000 0.290 31 V C 0.099 176.279 176.094 0.144 0.000 1.030 31 V CA -0.899 61.484 62.300 0.138 0.000 0.881 31 V CB 1.704 33.571 31.823 0.073 0.000 0.983 31 V HN 0.760 nan 8.190 nan 0.000 0.445 32 A N 4.776 127.565 122.820 -0.051 0.000 2.287 32 A HA 0.805 5.125 4.320 -0.000 0.000 0.317 32 A C -0.776 176.765 177.584 -0.073 0.000 1.220 32 A CA -0.481 51.424 52.037 -0.221 0.000 0.835 32 A CB 1.219 19.630 19.000 -0.983 0.000 1.180 32 A HN 0.638 nan 8.150 nan 0.000 0.500 33 V N 4.323 124.316 119.914 0.132 0.000 2.417 33 V HA 0.420 4.540 4.120 -0.000 0.000 0.291 33 V C -0.299 175.781 176.094 -0.024 0.000 1.024 33 V CA -0.220 62.160 62.300 0.133 0.000 0.861 33 V CB 1.401 33.453 31.823 0.380 0.000 0.985 33 V HN 0.758 nan 8.190 nan 0.000 0.436 34 I N 4.349 124.854 120.570 -0.109 0.000 2.404 34 I HA 0.570 4.739 4.170 -0.000 0.000 0.293 34 I C -0.462 175.547 176.117 -0.180 0.000 0.992 34 I CA -0.162 60.986 61.300 -0.254 0.000 1.149 34 I CB 1.731 39.604 38.000 -0.211 0.000 1.315 34 I HN 0.542 nan 8.210 nan 0.000 0.446 35 D N 4.026 124.262 120.400 -0.273 0.000 2.570 35 D HA 0.395 5.035 4.640 -0.000 0.000 0.244 35 D C 0.536 176.738 176.300 -0.164 0.000 1.178 35 D CA -0.520 53.436 54.000 -0.073 0.000 0.881 35 D CB 2.518 43.455 40.800 0.229 0.000 1.453 35 D HN 0.328 nan 8.370 nan 0.000 0.447 36 L N 0.015 121.088 121.223 -0.249 0.000 2.109 36 L HA -0.023 4.317 4.340 -0.000 0.000 0.207 36 L C 1.127 177.899 176.870 -0.163 0.000 1.086 36 L CA 0.912 55.484 54.840 -0.446 0.000 0.760 36 L CB -0.212 41.306 42.059 -0.902 0.000 0.910 36 L HN 0.406 nan 8.230 nan 0.000 0.437 37 Q N -1.831 117.984 119.800 0.025 0.000 2.626 37 Q HA 0.297 4.637 4.340 -0.000 0.000 0.300 37 Q C -0.432 175.634 176.000 0.110 0.000 0.988 37 Q CA -0.802 55.070 55.803 0.115 0.000 0.761 37 Q CB 1.970 30.785 28.738 0.129 0.000 1.494 37 Q HN -0.215 nan 8.270 nan 0.000 0.439 38 K N -0.878 119.540 120.400 0.031 0.000 2.354 38 K HA 0.208 4.528 4.320 -0.000 0.000 0.194 38 K C -0.649 175.745 176.600 -0.344 0.000 1.038 38 K CA 0.432 56.590 56.287 -0.215 0.000 1.052 38 K CB 0.527 32.929 32.500 -0.164 0.000 0.861 38 K HN 0.554 nan 8.250 nan 0.000 0.535 39 H N -0.911 118.132 119.070 -0.046 0.000 2.851 39 H HA 0.183 4.739 4.556 -0.000 0.000 0.372 39 H C -0.870 174.422 175.328 -0.060 0.000 1.158 39 H CA -1.002 55.012 56.048 -0.056 0.000 1.159 39 H CB 0.993 30.678 29.762 -0.128 0.000 1.757 39 H HN 0.168 nan 8.280 nan 0.000 0.546 40 H N 0.639 119.800 119.070 0.153 0.000 2.895 40 H HA 0.498 5.054 4.556 -0.000 0.000 0.371 40 H C 0.706 176.093 175.328 0.098 0.000 1.219 40 H CA 0.114 56.248 56.048 0.144 0.000 1.431 40 H CB 0.417 30.291 29.762 0.188 0.000 1.414 40 H HN 0.949 nan 8.280 nan 0.000 0.617 41 G N 0.143 108.988 108.800 0.075 0.000 2.381 41 G HA2 0.005 3.965 3.960 -0.000 0.000 0.672 41 G HA3 0.005 3.965 3.960 -0.000 0.000 0.672 41 G C -3.168 171.301 174.900 -0.719 0.000 1.324 41 G CA -0.917 43.934 45.100 -0.414 0.000 0.975 41 G HN 0.721 nan 8.290 nan 0.000 0.593 42 P HA 0.182 nan 4.420 nan 0.000 0.266 42 P C -1.370 175.608 177.300 -0.537 0.000 1.195 42 P CA -0.585 61.950 63.100 -0.943 0.000 0.768 42 P CB 0.546 31.861 31.700 -0.642 0.000 0.838 43 P HA -0.043 nan 4.420 nan 0.000 0.240 43 P C 0.469 177.415 177.300 -0.589 0.000 1.190 43 P CA 1.395 64.151 63.100 -0.574 0.000 0.781 43 P CB 0.287 31.702 31.700 -0.476 0.000 0.931 44 H N -2.466 116.511 119.070 -0.154 0.000 2.652 44 H HA 0.146 4.702 4.556 -0.000 0.000 0.274 44 H C 0.637 176.158 175.328 0.322 0.000 1.021 44 H CA -0.168 55.954 56.048 0.123 0.000 1.187 44 H CB 0.105 29.887 29.762 0.034 0.000 1.505 44 H HN 0.008 nan 8.280 nan 0.000 0.530 45 Y N 0.023 120.447 120.300 0.206 0.000 2.720 45 Y HA -0.434 4.116 4.550 -0.000 0.000 0.481 45 Y C 1.664 177.693 175.900 0.214 0.000 1.080 45 Y CA 0.911 59.121 58.100 0.184 0.000 2.975 45 Y CB -1.662 36.927 38.460 0.215 0.000 1.020 45 Y HN 0.319 nan 8.280 nan 0.000 0.585 46 A N 1.454 124.519 122.820 0.408 0.000 2.387 46 A HA 0.668 4.988 4.320 -0.000 0.000 0.251 46 A C 0.550 178.245 177.584 0.184 0.000 1.113 46 A CA 0.915 53.109 52.037 0.262 0.000 0.794 46 A CB 0.017 19.175 19.000 0.264 0.000 1.069 46 A HN 1.618 nan 8.150 nan 0.000 0.506 47 A N -1.112 121.779 122.820 0.119 0.000 2.483 47 A HA 0.518 4.837 4.320 -0.000 0.000 0.294 47 A C -0.462 177.136 177.584 0.023 0.000 1.077 47 A CA -0.638 51.440 52.037 0.068 0.000 0.633 47 A CB -0.159 18.877 19.000 0.060 0.000 1.318 47 A HN 1.407 nan 8.150 nan 0.000 0.455 48 L N 0.865 122.066 121.223 -0.036 0.000 2.720 48 L HA 0.192 4.532 4.340 -0.000 0.000 0.289 48 L C 1.419 178.197 176.870 -0.155 0.000 1.232 48 L CA 2.679 57.440 54.840 -0.130 0.000 0.915 48 L CB -0.047 41.785 42.059 -0.378 0.000 1.184 48 L HN 2.034 nan 8.230 nan 0.000 0.491 49 G N 2.180 110.814 108.800 -0.276 0.000 2.339 49 G HA2 -0.047 3.912 3.960 -0.000 0.000 0.209 49 G HA3 -0.047 3.912 3.960 -0.000 0.000 0.209 49 G C 0.613 175.447 174.900 -0.111 0.000 1.015 49 G CA -0.045 44.855 45.100 -0.333 0.000 0.635 49 G HN 1.831 nan 8.290 nan 0.000 0.499 50 G N -1.775 107.007 108.800 -0.030 0.000 2.655 50 G HA2 0.241 4.201 3.960 -0.000 0.000 0.680 50 G HA3 0.241 4.201 3.960 -0.000 0.000 0.680 50 G C 0.608 175.542 174.900 0.057 0.000 1.302 50 G CA 0.610 45.724 45.100 0.023 0.000 0.872 50 G HN 1.201 nan 8.290 nan 0.000 0.540 51 T N -0.399 114.204 114.554 0.082 0.000 2.746 51 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 51 T C 2.540 177.266 174.700 0.044 0.000 1.039 51 T CA 2.652 64.806 62.100 0.089 0.000 1.142 51 T CB -0.551 68.391 68.868 0.123 0.000 0.866 51 T HN 1.178 nan 8.240 nan 0.000 0.444 52 c N 1.144 119.771 118.600 0.046 0.000 2.413 52 c HA -0.052 4.518 4.570 -0.000 0.000 0.276 52 c C 2.743 176.825 174.090 -0.014 0.000 1.236 52 c CA 0.602 56.948 56.329 0.027 0.000 1.735 52 c CB -1.240 41.293 42.510 0.039 0.000 2.031 52 c HN 0.372 nan 8.230 nan 0.000 0.474 53 V N 1.737 121.654 119.914 0.004 0.000 2.515 53 V HA -0.134 3.986 4.120 -0.000 0.000 0.250 53 V C 2.229 178.294 176.094 -0.048 0.000 1.058 53 V CA 2.281 64.583 62.300 0.003 0.000 1.064 53 V CB -0.623 31.250 31.823 0.082 0.000 0.675 53 V HN 0.614 nan 8.190 nan 0.000 0.461 54 N N -0.126 118.548 118.700 -0.044 0.000 2.591 54 N HA 0.048 4.787 4.740 -0.000 0.000 0.200 54 N C 1.003 176.375 175.510 -0.230 0.000 1.040 54 N CA 1.509 54.527 53.050 -0.053 0.000 0.911 54 N CB 0.875 39.423 38.487 0.101 0.000 1.259 54 N HN 0.467 nan 8.380 nan 0.000 0.438 55 V N -1.656 118.111 119.914 -0.244 0.000 2.778 55 V HA 0.731 4.850 4.120 -0.000 0.000 0.356 55 V C 0.446 176.324 176.094 -0.360 0.000 1.283 55 V CA -0.437 61.512 62.300 -0.586 0.000 1.247 55 V CB 0.479 32.255 31.823 -0.078 0.000 1.408 55 V HN 0.194 nan 8.190 nan 0.000 0.620 56 G N -0.323 108.328 108.800 -0.248 0.000 3.265 56 G HA2 0.240 4.200 3.960 -0.000 0.000 0.171 56 G HA3 0.240 4.200 3.960 -0.000 0.000 0.171 56 G C 0.846 175.767 174.900 0.035 0.000 1.110 56 G CA 0.563 45.677 45.100 0.023 0.000 0.855 56 G HN 0.269 nan 8.290 nan 0.000 0.658 57 c N 0.039 118.663 118.600 0.041 0.000 2.393 57 c HA -0.029 4.541 4.570 -0.000 0.000 0.276 57 c C 2.850 176.893 174.090 -0.078 0.000 1.215 57 c CA 1.022 57.352 56.329 0.001 0.000 1.743 57 c CB -1.500 41.009 42.510 -0.002 0.000 2.044 57 c HN 0.265 nan 8.230 nan 0.000 0.464 58 V N 2.521 122.383 119.914 -0.086 0.000 2.237 58 V HA -0.130 3.990 4.120 -0.000 0.000 0.245 58 V C 0.132 176.147 176.094 -0.132 0.000 1.046 58 V CA 2.584 64.816 62.300 -0.114 0.000 1.007 58 V CB -1.863 29.903 31.823 -0.095 0.000 0.638 58 V HN 0.347 nan 8.190 nan 0.000 0.445 59 P HA -0.191 nan 4.420 nan 0.000 0.214 59 P C 1.730 179.029 177.300 -0.002 0.000 1.162 59 P CA 1.536 64.556 63.100 -0.133 0.000 0.879 59 P CB -0.194 31.321 31.700 -0.309 0.000 0.786 60 K N 0.656 121.126 120.400 0.117 0.000 2.044 60 K HA -0.254 4.066 4.320 -0.000 0.000 0.210 60 K C 2.086 178.595 176.600 -0.152 0.000 1.049 60 K CA 2.106 58.403 56.287 0.017 0.000 0.927 60 K CB -0.460 32.085 32.500 0.075 0.000 0.713 60 K HN -0.152 nan 8.250 nan 0.000 0.443 61 K N 1.149 121.432 120.400 -0.195 0.000 2.097 61 K HA -0.038 4.282 4.320 -0.000 0.000 0.206 61 K C 2.174 178.655 176.600 -0.199 0.000 1.049 61 K CA 1.108 57.215 56.287 -0.300 0.000 0.933 61 K CB -0.221 32.034 32.500 -0.408 0.000 0.717 61 K HN 0.257 nan 8.250 nan 0.000 0.442 62 L N -0.203 120.930 121.223 -0.151 0.000 2.083 62 L HA -0.117 4.222 4.340 -0.000 0.000 0.209 62 L C 2.419 179.228 176.870 -0.102 0.000 1.083 62 L CA 1.277 56.050 54.840 -0.111 0.000 0.752 62 L CB -0.279 41.714 42.059 -0.110 0.000 0.899 62 L HN 0.261 nan 8.230 nan 0.000 0.433 63 M N -1.577 117.940 119.600 -0.139 0.000 2.349 63 M HA -0.117 4.363 4.480 -0.000 0.000 0.266 63 M C 2.148 178.387 176.300 -0.103 0.000 1.076 63 M CA 0.845 56.045 55.300 -0.167 0.000 1.126 63 M CB 0.034 32.480 32.600 -0.258 0.000 1.392 63 M HN 0.049 nan 8.290 nan 0.000 0.440 64 V N -0.198 119.643 119.914 -0.123 0.000 2.323 64 V HA -0.199 3.921 4.120 -0.000 0.000 0.244 64 V C 2.255 178.322 176.094 -0.046 0.000 1.041 64 V CA 2.028 64.282 62.300 -0.076 0.000 1.025 64 V CB -0.724 31.052 31.823 -0.079 0.000 0.656 64 V HN 0.441 nan 8.190 nan 0.000 0.451 65 T N 0.388 114.900 114.554 -0.070 0.000 2.699 65 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 65 T C 1.828 176.482 174.700 -0.077 0.000 1.036 65 T CA 1.761 63.801 62.100 -0.100 0.000 1.147 65 T CB -0.650 68.182 68.868 -0.061 0.000 0.862 65 T HN 0.635 nan 8.240 nan 0.000 0.446 66 G N 0.902 109.772 108.800 0.118 0.000 2.404 66 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.215 66 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.215 66 G C 1.867 176.996 174.900 0.381 0.000 1.174 66 G CA 0.852 46.174 45.100 0.370 0.000 0.780 66 G HN 0.581 nan 8.290 nan 0.000 0.537 67 A N 1.243 124.264 122.820 0.336 0.000 1.948 67 A HA -0.159 4.160 4.320 -0.000 0.000 0.220 67 A C 2.161 179.773 177.584 0.047 0.000 1.177 67 A CA 2.093 54.274 52.037 0.239 0.000 0.636 67 A CB -0.636 18.472 19.000 0.179 0.000 0.815 67 A HN 0.426 nan 8.150 nan 0.000 0.449 68 N N -1.706 116.963 118.700 -0.051 0.000 2.364 68 N HA -0.129 4.611 4.740 -0.000 0.000 0.183 68 N C 1.182 176.571 175.510 -0.202 0.000 1.022 68 N CA 1.209 54.167 53.050 -0.153 0.000 0.883 68 N CB -0.379 37.950 38.487 -0.263 0.000 0.965 68 N HN 0.629 nan 8.380 nan 0.000 0.438 69 Y N 0.213 120.513 120.300 0.000 0.000 2.421 69 Y HA -0.077 4.472 4.550 -0.000 0.000 0.292 69 Y C 2.239 178.120 175.900 -0.033 0.000 1.136 69 Y CA 0.647 58.734 58.100 -0.021 0.000 1.255 69 Y CB -0.335 38.110 38.460 -0.026 0.000 0.991 69 Y HN 0.151 nan 8.280 nan 0.000 0.552 70 M N 0.199 119.839 119.600 0.066 0.000 2.082 70 M HA -0.295 4.185 4.480 -0.000 0.000 0.258 70 M C 1.236 177.564 176.300 0.045 0.000 1.069 70 M CA 2.366 57.681 55.300 0.025 0.000 1.102 70 M CB -0.139 32.450 32.600 -0.017 0.000 1.336 70 M HN 0.124 nan 8.290 nan 0.000 0.404 71 D N -0.129 120.295 120.400 0.039 0.000 2.117 71 D HA -0.141 4.499 4.640 -0.000 0.000 0.198 71 D C 2.071 178.410 176.300 0.064 0.000 0.982 71 D CA 2.227 56.261 54.000 0.057 0.000 0.828 71 D CB -0.300 40.527 40.800 0.045 0.000 0.967 71 D HN 0.579 nan 8.370 nan 0.000 0.464 72 T N -1.198 113.383 114.554 0.046 0.000 2.904 72 T HA -0.024 4.325 4.350 -0.000 0.000 0.267 72 T C 2.150 176.888 174.700 0.064 0.000 1.059 72 T CA 0.455 62.585 62.100 0.050 0.000 1.137 72 T CB -0.413 68.464 68.868 0.015 0.000 0.879 72 T HN 0.118 nan 8.240 nan 0.000 0.467 73 I N 0.854 121.470 120.570 0.077 0.000 2.252 73 I HA -0.094 4.076 4.170 -0.000 0.000 0.245 73 I C 3.137 179.303 176.117 0.082 0.000 1.102 73 I CA 1.061 62.399 61.300 0.063 0.000 1.385 73 I CB -0.395 37.638 38.000 0.056 0.000 1.064 73 I HN 0.158 nan 8.210 nan 0.000 0.414 74 R N 1.427 121.977 120.500 0.083 0.000 2.097 74 R HA -0.242 4.098 4.340 -0.000 0.000 0.236 74 R C 2.044 178.417 176.300 0.122 0.000 1.135 74 R CA 2.193 58.349 56.100 0.094 0.000 0.934 74 R CB -0.301 30.054 30.300 0.091 0.000 0.846 74 R HN 0.411 nan 8.270 nan 0.000 0.431 75 E N 0.034 120.316 120.200 0.137 0.000 2.333 75 E HA -0.119 4.231 4.350 -0.000 0.000 0.198 75 E C 1.824 178.578 176.600 0.258 0.000 1.007 75 E CA 1.230 57.744 56.400 0.189 0.000 0.845 75 E CB 0.045 29.865 29.700 0.200 0.000 0.766 75 E HN 0.498 nan 8.360 nan 0.000 0.507 76 S N 0.627 116.455 115.700 0.213 0.000 2.453 76 S HA -0.029 4.441 4.470 -0.000 0.000 0.231 76 S C 2.189 177.033 174.600 0.406 0.000 1.005 76 S CA 0.580 58.959 58.200 0.299 0.000 0.949 76 S CB -0.012 63.257 63.200 0.114 0.000 0.774 76 S HN 0.282 nan 8.310 nan 0.000 0.510 77 A N 2.151 125.127 122.820 0.260 0.000 1.908 77 A HA 0.116 4.436 4.320 -0.000 0.000 0.218 77 A C 2.381 180.049 177.584 0.140 0.000 1.181 77 A CA 1.635 53.787 52.037 0.191 0.000 0.627 77 A CB -1.760 17.314 19.000 0.122 0.000 0.818 77 A HN 0.658 nan 8.150 nan 0.000 0.445 78 G N -1.993 106.864 108.800 0.096 0.000 2.470 78 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.220 78 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.220 78 G C 0.932 175.690 174.900 -0.236 0.000 1.121 78 G CA 0.774 45.808 45.100 -0.109 0.000 0.766 78 G HN 0.463 nan 8.290 nan 0.000 0.553 79 F N 0.547 120.578 119.950 0.134 0.000 2.645 79 F HA 0.380 4.907 4.527 -0.000 0.000 0.300 79 F C 1.752 177.573 175.800 0.035 0.000 1.115 79 F CA 0.169 58.245 58.000 0.128 0.000 1.355 79 F CB 0.550 39.690 39.000 0.234 0.000 1.026 79 F HN 0.197 nan 8.300 nan 0.000 0.536 80 G N -0.735 108.124 108.800 0.098 0.000 2.137 80 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.237 80 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.237 80 G C -0.374 174.377 174.900 -0.249 0.000 1.002 80 G CA -0.647 44.402 45.100 -0.086 0.000 0.702 80 G HN 0.296 nan 8.290 nan 0.000 0.515 81 W N 0.982 122.335 121.300 0.090 0.000 2.335 81 W HA 0.641 5.301 4.660 -0.000 0.000 0.307 81 W C 0.531 177.080 176.519 0.050 0.000 1.117 81 W CA -0.662 56.722 57.345 0.066 0.000 1.228 81 W CB 0.824 30.326 29.460 0.070 0.000 1.240 81 W HN 0.181 nan 8.180 nan 0.000 0.468 82 E N 2.804 123.106 120.200 0.170 0.000 2.191 82 E HA 0.659 5.009 4.350 -0.000 0.000 0.278 82 E C -1.098 175.591 176.600 0.149 0.000 0.972 82 E CA -0.934 55.538 56.400 0.120 0.000 0.804 82 E CB 1.743 31.473 29.700 0.049 0.000 1.110 82 E HN 0.210 nan 8.360 nan 0.000 0.394 83 L N 1.637 122.931 121.223 0.119 0.000 2.469 83 L HA 0.235 4.575 4.340 -0.000 0.000 0.256 83 L C -1.339 175.571 176.870 0.068 0.000 1.006 83 L CA -0.702 54.199 54.840 0.101 0.000 0.832 83 L CB 2.191 44.313 42.059 0.105 0.000 1.421 83 L HN 0.417 nan 8.230 nan 0.000 0.410 84 D N 1.452 121.884 120.400 0.053 0.000 2.416 84 D HA 0.117 4.757 4.640 -0.000 0.000 0.240 84 D C 0.988 177.312 176.300 0.040 0.000 1.250 84 D CA 0.247 54.272 54.000 0.041 0.000 0.967 84 D CB 0.519 41.339 40.800 0.033 0.000 1.059 84 D HN 0.371 nan 8.370 nan 0.000 0.512 85 R N 1.933 122.459 120.500 0.043 0.000 2.285 85 R HA -0.077 4.263 4.340 -0.000 0.000 0.213 85 R C 1.025 177.344 176.300 0.032 0.000 1.068 85 R CA 0.663 56.788 56.100 0.041 0.000 1.004 85 R CB 0.291 30.620 30.300 0.048 0.000 0.873 85 R HN 0.271 nan 8.270 nan 0.000 0.467 86 E N -0.737 119.479 120.200 0.028 0.000 2.479 86 E HA -0.017 4.333 4.350 -0.000 0.000 0.193 86 E C 0.975 177.588 176.600 0.021 0.000 1.049 86 E CA 0.392 56.805 56.400 0.023 0.000 0.870 86 E CB 0.397 30.109 29.700 0.021 0.000 0.944 86 E HN 0.244 nan 8.360 nan 0.000 0.492 87 S N -1.554 114.160 115.700 0.022 0.000 2.535 87 S HA 0.121 4.591 4.470 -0.000 0.000 0.214 87 S C 0.614 175.225 174.600 0.018 0.000 0.980 87 S CA -0.410 57.802 58.200 0.020 0.000 0.907 87 S CB 0.216 63.429 63.200 0.021 0.000 0.790 87 S HN -0.045 nan 8.310 nan 0.000 0.510 88 V N 3.496 123.420 119.914 0.018 0.000 2.446 88 V HA 0.332 4.451 4.120 -0.000 0.000 0.276 88 V C 0.275 176.375 176.094 0.010 0.000 1.030 88 V CA 0.099 62.406 62.300 0.012 0.000 1.033 88 V CB -0.140 31.691 31.823 0.013 0.000 0.993 88 V HN 0.407 nan 8.190 nan 0.000 0.477 89 R N 5.537 126.043 120.500 0.011 0.000 2.502 89 R HA 0.454 4.794 4.340 -0.000 0.000 0.300 89 R C -2.539 173.774 176.300 0.021 0.000 0.984 89 R CA -1.518 54.593 56.100 0.019 0.000 0.882 89 R CB 2.275 32.595 30.300 0.033 0.000 1.180 89 R HN 0.565 nan 8.270 nan 0.000 0.444 90 P HA 0.078 nan 4.420 nan 0.000 0.276 90 P C -0.967 176.454 177.300 0.202 0.000 1.235 90 P CA -0.299 62.805 63.100 0.008 0.000 0.772 90 P CB 0.761 32.326 31.700 -0.225 0.000 0.871 91 N N 2.975 121.853 118.700 0.298 0.000 2.511 91 N HA 0.021 4.761 4.740 -0.000 0.000 0.249 91 N C 0.856 176.604 175.510 0.396 0.000 0.971 91 N CA -0.619 52.608 53.050 0.295 0.000 0.938 91 N CB 0.499 39.089 38.487 0.171 0.000 1.131 91 N HN 0.590 nan 8.380 nan 0.000 0.505 92 W N 4.900 126.323 121.300 0.206 0.000 2.335 92 W HA -0.145 4.515 4.660 -0.000 0.000 0.311 92 W C 0.939 177.464 176.519 0.009 0.000 1.213 92 W CA 1.118 58.496 57.345 0.054 0.000 1.274 92 W CB 0.318 29.818 29.460 0.067 0.000 1.148 92 W HN 0.549 nan 8.180 nan 0.000 0.498 93 K N 0.099 120.630 120.400 0.218 0.000 2.103 93 K HA -0.167 4.152 4.320 -0.000 0.000 0.207 93 K C 2.183 178.771 176.600 -0.021 0.000 1.048 93 K CA 1.559 57.892 56.287 0.077 0.000 0.930 93 K CB -0.563 32.016 32.500 0.132 0.000 0.716 93 K HN 0.117 nan 8.250 nan 0.000 0.444 94 A N 1.653 124.482 122.820 0.015 0.000 2.015 94 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 94 A C 2.039 179.576 177.584 -0.078 0.000 1.163 94 A CA 0.818 52.848 52.037 -0.011 0.000 0.646 94 A CB -0.381 18.638 19.000 0.032 0.000 0.806 94 A HN 0.212 nan 8.150 nan 0.000 0.448 95 L N -0.280 120.850 121.223 -0.155 0.000 2.023 95 L HA -0.111 4.228 4.340 -0.000 0.000 0.205 95 L C 2.233 178.885 176.870 -0.362 0.000 1.073 95 L CA 1.472 56.143 54.840 -0.281 0.000 0.745 95 L CB -0.395 41.338 42.059 -0.543 0.000 0.900 95 L HN 0.268 nan 8.230 nan 0.000 0.435 96 I N 0.583 120.850 120.570 -0.505 0.000 2.264 96 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 96 I C 2.861 178.853 176.117 -0.208 0.000 1.111 96 I CA 1.461 62.505 61.300 -0.427 0.000 1.382 96 I CB -1.678 36.042 38.000 -0.466 0.000 1.060 96 I HN 0.252 nan 8.210 nan 0.000 0.418 97 A N 0.731 123.468 122.820 -0.139 0.000 1.897 97 A HA -0.023 4.297 4.320 -0.000 0.000 0.215 97 A C 2.586 180.133 177.584 -0.063 0.000 1.181 97 A CA 1.661 53.661 52.037 -0.062 0.000 0.620 97 A CB -0.696 18.284 19.000 -0.034 0.000 0.821 97 A HN 0.387 nan 8.150 nan 0.000 0.443 98 A N 0.034 122.803 122.820 -0.085 0.000 1.902 98 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 98 A C 2.158 179.686 177.584 -0.094 0.000 1.181 98 A CA 1.972 53.964 52.037 -0.074 0.000 0.623 98 A CB -0.479 18.477 19.000 -0.073 0.000 0.818 98 A HN 0.541 nan 8.150 nan 0.000 0.443 99 K N -0.335 119.982 120.400 -0.138 0.000 2.009 99 K HA -0.230 4.090 4.320 -0.000 0.000 0.210 99 K C 1.645 178.146 176.600 -0.165 0.000 1.049 99 K CA 1.796 57.984 56.287 -0.165 0.000 0.929 99 K CB -0.340 32.031 32.500 -0.215 0.000 0.714 99 K HN 0.390 nan 8.250 nan 0.000 0.440 100 N N 1.275 119.899 118.700 -0.126 0.000 2.205 100 N HA -0.169 4.570 4.740 -0.000 0.000 0.186 100 N C 1.654 177.177 175.510 0.021 0.000 1.015 100 N CA 0.885 53.907 53.050 -0.046 0.000 0.862 100 N CB -0.147 38.402 38.487 0.103 0.000 0.986 100 N HN 0.253 nan 8.380 nan 0.000 0.429 101 K N 1.107 121.505 120.400 -0.004 0.000 2.031 101 K HA 0.059 4.379 4.320 -0.000 0.000 0.205 101 K C 1.806 178.398 176.600 -0.014 0.000 1.049 101 K CA 0.970 57.261 56.287 0.007 0.000 0.939 101 K CB -0.154 32.340 32.500 -0.010 0.000 0.717 101 K HN 0.066 nan 8.250 nan 0.000 0.438 102 A N 0.948 123.736 122.820 -0.053 0.000 1.865 102 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 102 A C 2.386 179.927 177.584 -0.071 0.000 1.191 102 A CA 1.988 53.985 52.037 -0.066 0.000 0.623 102 A CB -0.801 18.146 19.000 -0.088 0.000 0.826 102 A HN 0.146 nan 8.150 nan 0.000 0.444 103 V N 0.019 119.856 119.914 -0.128 0.000 2.343 103 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 103 V C 2.695 178.811 176.094 0.037 0.000 1.051 103 V CA 2.268 64.481 62.300 -0.144 0.000 1.036 103 V CB -0.983 30.562 31.823 -0.463 0.000 0.654 103 V HN 0.548 nan 8.190 nan 0.000 0.451 104 S N 0.777 116.577 115.700 0.167 0.000 2.419 104 S HA -0.143 4.327 4.470 -0.000 0.000 0.235 104 S C 1.986 176.678 174.600 0.153 0.000 1.019 104 S CA 1.316 59.689 58.200 0.288 0.000 0.982 104 S CB -0.554 62.808 63.200 0.270 0.000 0.789 104 S HN 0.726 nan 8.310 nan 0.000 0.490 105 G N 1.233 110.068 108.800 0.057 0.000 2.430 105 G HA2 0.007 3.966 3.960 -0.000 0.000 0.216 105 G HA3 0.007 3.966 3.960 -0.000 0.000 0.216 105 G C 1.281 176.148 174.900 -0.054 0.000 1.146 105 G CA 0.198 45.300 45.100 0.002 0.000 0.793 105 G HN 0.485 nan 8.290 nan 0.000 0.537 106 I N 0.928 121.461 120.570 -0.062 0.000 2.233 106 I HA -0.158 4.012 4.170 -0.000 0.000 0.243 106 I C 2.466 178.492 176.117 -0.152 0.000 1.093 106 I CA 1.020 62.226 61.300 -0.158 0.000 1.380 106 I CB -0.524 37.437 38.000 -0.064 0.000 1.067 106 I HN 0.208 nan 8.210 nan 0.000 0.413 107 N N 1.036 119.752 118.700 0.027 0.000 2.094 107 N HA -0.227 4.513 4.740 -0.000 0.000 0.191 107 N C 1.212 176.680 175.510 -0.070 0.000 1.023 107 N CA 1.566 54.627 53.050 0.019 0.000 0.857 107 N CB -0.128 38.306 38.487 -0.089 0.000 1.013 107 N HN 0.328 nan 8.380 nan 0.000 0.426 108 D N 0.062 120.441 120.400 -0.035 0.000 2.269 108 D HA -0.014 4.626 4.640 -0.000 0.000 0.208 108 D C 1.820 178.071 176.300 -0.083 0.000 0.963 108 D CA 0.556 54.542 54.000 -0.023 0.000 0.864 108 D CB -0.197 40.624 40.800 0.036 0.000 0.936 108 D HN 0.108 nan 8.370 nan 0.000 0.505 109 S N 0.191 115.770 115.700 -0.202 0.000 2.359 109 S HA -0.177 4.293 4.470 -0.000 0.000 0.224 109 S C 1.699 176.158 174.600 -0.236 0.000 1.035 109 S CA 0.833 58.854 58.200 -0.298 0.000 1.018 109 S CB -0.343 62.534 63.200 -0.539 0.000 0.876 109 S HN 0.317 nan 8.310 nan 0.000 0.448 110 Y N 2.163 122.449 120.300 -0.024 0.000 2.352 110 Y HA -0.010 4.540 4.550 -0.000 0.000 0.292 110 Y C 2.420 178.406 175.900 0.143 0.000 1.136 110 Y CA 0.320 58.447 58.100 0.046 0.000 1.227 110 Y CB -0.532 37.949 38.460 0.035 0.000 0.991 110 Y HN 0.200 nan 8.280 nan 0.000 0.545 111 E N -0.411 119.870 120.200 0.135 0.000 2.058 111 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 111 E C 2.582 179.272 176.600 0.150 0.000 0.997 111 E CA 1.282 57.738 56.400 0.094 0.000 0.801 111 E CB -0.923 28.789 29.700 0.020 0.000 0.746 111 E HN 0.514 nan 8.360 nan 0.000 0.450 112 G N 1.299 110.149 108.800 0.084 0.000 2.418 112 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 112 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 112 G C 1.632 176.588 174.900 0.093 0.000 1.158 112 G CA 0.985 46.123 45.100 0.064 0.000 0.771 112 G HN 0.192 nan 8.290 nan 0.000 0.545 113 M N -0.745 118.909 119.600 0.090 0.000 2.149 113 M HA 0.014 4.494 4.480 -0.000 0.000 0.261 113 M C 2.174 178.509 176.300 0.058 0.000 1.064 113 M CA 1.470 56.796 55.300 0.045 0.000 1.102 113 M CB -0.131 32.456 32.600 -0.022 0.000 1.369 113 M HN 0.247 nan 8.290 nan 0.000 0.408 114 F N -0.092 119.933 119.950 0.125 0.000 2.234 114 F HA 0.037 4.564 4.527 -0.000 0.000 0.296 114 F C 2.562 178.422 175.800 0.099 0.000 1.089 114 F CA 1.129 59.208 58.000 0.131 0.000 1.343 114 F CB -0.825 38.242 39.000 0.113 0.000 1.040 114 F HN 0.198 nan 8.300 nan 0.000 0.498 115 A N 0.431 123.397 122.820 0.244 0.000 1.978 115 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 115 A C 1.252 178.905 177.584 0.115 0.000 1.170 115 A CA 2.340 54.468 52.037 0.151 0.000 0.636 115 A CB -0.929 18.135 19.000 0.107 0.000 0.810 115 A HN 0.499 nan 8.150 nan 0.000 0.448 116 D N -2.273 118.192 120.400 0.108 0.000 2.433 116 D HA 0.145 4.784 4.640 -0.000 0.000 0.211 116 D C -0.102 176.250 176.300 0.087 0.000 1.114 116 D CA 0.255 54.306 54.000 0.085 0.000 0.837 116 D CB 0.163 41.007 40.800 0.072 0.000 0.984 116 D HN 0.136 nan 8.370 nan 0.000 0.505 117 T N 1.371 115.986 114.554 0.101 0.000 2.747 117 T HA 0.192 4.542 4.350 -0.000 0.000 0.301 117 T C -0.048 174.675 174.700 0.037 0.000 0.952 117 T CA -0.540 61.593 62.100 0.055 0.000 0.983 117 T CB 0.969 69.868 68.868 0.053 0.000 0.930 117 T HN 0.050 nan 8.240 nan 0.000 0.494 118 E N 2.482 122.688 120.200 0.011 0.000 2.465 118 E HA 0.317 4.667 4.350 -0.000 0.000 0.260 118 E C 1.384 177.986 176.600 0.004 0.000 0.980 118 E CA 1.233 57.642 56.400 0.015 0.000 0.927 118 E CB -0.349 29.347 29.700 -0.005 0.000 0.934 118 E HN 0.776 nan 8.360 nan 0.000 0.459 119 G N 3.808 112.636 108.800 0.047 0.000 2.268 119 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.240 119 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.240 119 G C 0.082 175.050 174.900 0.113 0.000 1.010 119 G CA 0.082 45.218 45.100 0.060 0.000 0.618 119 G HN 0.554 nan 8.290 nan 0.000 0.516 120 L N 2.891 124.181 121.223 0.112 0.000 2.281 120 L HA 0.562 4.902 4.340 -0.000 0.000 0.285 120 L C 0.896 177.994 176.870 0.380 0.000 1.074 120 L CA 0.605 55.559 54.840 0.190 0.000 0.817 120 L CB 0.972 43.076 42.059 0.076 0.000 1.168 120 L HN 0.500 nan 8.230 nan 0.000 0.434 121 T N 0.771 115.599 114.554 0.456 0.000 2.916 121 T HA 0.445 4.795 4.350 -0.000 0.000 0.292 121 T C -0.716 174.214 174.700 0.385 0.000 1.055 121 T CA -0.678 61.675 62.100 0.422 0.000 1.009 121 T CB 2.010 71.012 68.868 0.224 0.000 1.118 121 T HN 0.243 nan 8.240 nan 0.000 0.497 122 F N 1.939 121.743 119.950 -0.242 0.000 2.420 122 F HA 0.513 5.039 4.527 -0.000 0.000 0.342 122 F C -0.148 175.441 175.800 -0.352 0.000 1.113 122 F CA -0.739 56.988 58.000 -0.454 0.000 1.059 122 F CB 0.836 39.243 39.000 -0.988 0.000 1.128 122 F HN 0.645 nan 8.300 nan 0.000 0.475 123 H N 5.313 123.870 119.070 -0.855 0.000 2.609 123 H HA 0.195 4.751 4.556 -0.000 0.000 0.344 123 H C -1.130 173.664 175.328 -0.890 0.000 1.040 123 H CA -0.780 54.904 56.048 -0.608 0.000 1.216 123 H CB 2.137 31.679 29.762 -0.366 0.000 1.529 123 H HN 0.591 nan 8.280 nan 0.000 0.519 124 Q N 2.512 122.003 119.800 -0.514 0.000 2.314 124 Q HA 0.525 4.864 4.340 -0.000 0.000 0.259 124 Q C -0.552 175.331 176.000 -0.195 0.000 0.951 124 Q CA -0.649 54.907 55.803 -0.411 0.000 0.909 124 Q CB 1.263 29.929 28.738 -0.119 0.000 1.236 124 Q HN 1.009 nan 8.270 nan 0.000 0.444 125 G N 2.327 111.007 108.800 -0.200 0.000 2.343 125 G HA2 0.089 4.049 3.960 -0.000 0.000 0.289 125 G HA3 0.089 4.049 3.960 -0.000 0.000 0.289 125 G C -1.837 172.971 174.900 -0.154 0.000 1.295 125 G CA -1.019 44.022 45.100 -0.099 0.000 0.869 125 G HN 0.456 nan 8.290 nan 0.000 0.522 126 F N 1.804 121.671 119.950 -0.137 0.000 2.444 126 F HA 0.521 5.048 4.527 0.000 0.000 0.360 126 F C 1.305 177.037 175.800 -0.112 0.000 1.106 126 F CA 0.748 58.666 58.000 -0.135 0.000 1.170 126 F CB 1.528 40.456 39.000 -0.121 0.000 1.113 126 F HN 0.605 nan 8.300 nan 0.000 0.521 127 G N 2.203 111.017 108.800 0.023 0.000 2.372 127 G HA2 0.624 4.584 3.960 -0.000 0.000 0.283 127 G HA3 0.624 4.584 3.960 -0.000 0.000 0.283 127 G C -1.184 173.728 174.900 0.020 0.000 1.177 127 G CA -0.304 44.790 45.100 -0.011 0.000 0.842 127 G HN 0.895 nan 8.290 nan 0.000 0.503 128 A N 1.840 124.662 122.820 0.004 0.000 2.572 128 A HA 0.703 5.023 4.320 -0.000 0.000 0.295 128 A C -0.757 176.822 177.584 -0.010 0.000 1.072 128 A CA -0.671 51.367 52.037 0.002 0.000 0.691 128 A CB 1.221 20.221 19.000 -0.000 0.000 1.291 128 A HN 0.682 nan 8.150 nan 0.000 0.404 129 L N 1.718 122.935 121.223 -0.010 0.000 2.292 129 L HA 0.370 4.709 4.340 -0.000 0.000 0.284 129 L C 1.385 178.250 176.870 -0.008 0.000 1.065 129 L CA -0.193 54.641 54.840 -0.010 0.000 0.806 129 L CB 1.661 43.712 42.059 -0.013 0.000 1.175 129 L HN 1.089 nan 8.230 nan 0.000 0.431 130 Q N 1.458 121.257 119.800 -0.003 0.000 2.324 130 Q HA -0.001 4.339 4.340 -0.000 0.000 0.207 130 Q C -0.480 175.522 176.000 0.003 0.000 0.928 130 Q CA 0.838 56.641 55.803 0.000 0.000 0.890 130 Q CB 0.684 29.425 28.738 0.006 0.000 1.001 130 Q HN 0.927 nan 8.270 nan 0.000 0.517 131 D N -1.608 118.796 120.400 0.007 0.000 2.921 131 D HA -0.022 4.617 4.640 -0.000 0.000 0.329 131 D C -0.176 176.113 176.300 -0.020 0.000 1.293 131 D CA -0.477 53.524 54.000 0.002 0.000 0.964 131 D CB -0.523 40.291 40.800 0.023 0.000 1.435 131 D HN 0.027 nan 8.370 nan 0.000 0.548 132 N N -0.788 117.873 118.700 -0.065 0.000 2.449 132 N HA -0.076 4.664 4.740 -0.000 0.000 0.191 132 N C -0.121 175.186 175.510 -0.340 0.000 1.161 132 N CA 0.517 53.459 53.050 -0.181 0.000 0.863 132 N CB -0.299 38.049 38.487 -0.232 0.000 0.980 132 N HN 0.420 nan 8.380 nan 0.000 0.458 133 H N -0.895 118.180 119.070 0.008 0.000 3.230 133 H HA 0.252 4.808 4.556 -0.000 0.000 0.259 133 H C -0.385 174.955 175.328 0.019 0.000 1.195 133 H CA -0.071 55.983 56.048 0.010 0.000 1.112 133 H CB 1.084 30.845 29.762 -0.002 0.000 1.638 133 H HN 0.103 nan 8.280 nan 0.000 0.624 134 T N 1.848 116.463 114.554 0.102 0.000 2.847 134 T HA 0.401 4.751 4.350 -0.000 0.000 0.291 134 T C 0.033 174.749 174.700 0.026 0.000 0.998 134 T CA -0.405 61.733 62.100 0.064 0.000 0.967 134 T CB 2.440 71.339 68.868 0.052 0.000 0.954 134 T HN -0.173 nan 8.240 nan 0.000 0.441 135 V N 4.088 124.007 119.914 0.008 0.000 2.547 135 V HA 0.611 4.731 4.120 -0.000 0.000 0.299 135 V C -0.525 175.551 176.094 -0.030 0.000 1.040 135 V CA -0.870 61.416 62.300 -0.023 0.000 0.913 135 V CB 1.833 33.623 31.823 -0.056 0.000 0.992 135 V HN 0.651 nan 8.190 nan 0.000 0.449 136 L N 4.602 125.809 121.223 -0.027 0.000 2.365 136 L HA 0.664 5.004 4.340 -0.000 0.000 0.273 136 L C -0.557 176.298 176.870 -0.026 0.000 1.000 136 L CA -0.135 54.693 54.840 -0.020 0.000 0.819 136 L CB 2.111 44.164 42.059 -0.009 0.000 1.284 136 L HN 0.433 nan 8.230 nan 0.000 0.418 137 V N 5.748 125.646 119.914 -0.027 0.000 2.328 137 V HA 0.573 4.693 4.120 -0.000 0.000 0.278 137 V C 0.189 176.286 176.094 0.005 0.000 1.021 137 V CA -0.568 61.718 62.300 -0.022 0.000 0.838 137 V CB 1.194 32.990 31.823 -0.045 0.000 0.999 137 V HN 0.730 nan 8.190 nan 0.000 0.447 138 R N 2.243 122.762 120.500 0.033 0.000 2.856 138 R HA 0.417 4.757 4.340 -0.000 0.000 0.258 138 R C 1.111 177.455 176.300 0.074 0.000 1.066 138 R CA -0.770 55.350 56.100 0.033 0.000 1.045 138 R CB 1.694 31.997 30.300 0.005 0.000 1.178 138 R HN 0.734 nan 8.270 nan 0.000 0.499 139 E N 0.469 120.696 120.200 0.046 0.000 2.106 139 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 139 E C -0.085 176.581 176.600 0.112 0.000 0.984 139 E CA 1.065 57.508 56.400 0.072 0.000 0.806 139 E CB 0.337 30.056 29.700 0.031 0.000 0.750 139 E HN 0.528 nan 8.360 nan 0.000 0.458 140 S N -2.452 113.220 115.700 -0.047 0.000 2.705 140 S HA 0.591 5.060 4.470 -0.000 0.000 0.280 140 S C 0.664 174.712 174.600 -0.920 0.000 1.174 140 S CA -0.336 57.648 58.200 -0.361 0.000 0.823 140 S CB 1.130 64.198 63.200 -0.221 0.000 1.162 140 S HN 0.063 nan 8.310 nan 0.000 0.487 141 A N 0.169 122.001 122.820 -1.646 0.000 2.076 141 A HA 0.079 4.398 4.320 -0.000 0.000 0.220 141 A C 0.753 178.067 177.584 -0.450 0.000 1.160 141 A CA 1.521 52.924 52.037 -1.057 0.000 0.653 141 A CB -1.295 17.210 19.000 -0.825 0.000 0.801 141 A HN 0.872 nan 8.150 nan 0.000 0.455 142 D N -0.547 119.645 120.400 -0.347 0.000 2.434 142 D HA 0.210 4.850 4.640 -0.000 0.000 0.252 142 D C -1.552 174.656 176.300 -0.153 0.000 1.185 142 D CA -1.549 52.333 54.000 -0.197 0.000 0.886 142 D CB 0.879 41.591 40.800 -0.146 0.000 1.148 142 D HN 0.019 nan 8.370 nan 0.000 0.483 143 P HA -0.141 nan 4.420 nan 0.000 0.218 143 P C -0.186 177.077 177.300 -0.062 0.000 1.146 143 P CA 1.306 64.358 63.100 -0.079 0.000 0.820 143 P CB 0.119 31.782 31.700 -0.062 0.000 0.778 144 N N -1.476 117.187 118.700 -0.062 0.000 2.276 144 N HA 0.047 4.787 4.740 -0.000 0.000 0.212 144 N C 0.116 175.599 175.510 -0.046 0.000 1.127 144 N CA -0.228 52.795 53.050 -0.046 0.000 0.834 144 N CB 0.014 38.478 38.487 -0.039 0.000 1.014 144 N HN 0.163 nan 8.380 nan 0.000 0.491 145 S N 0.114 115.778 115.700 -0.060 0.000 2.624 145 S HA 0.528 4.997 4.470 -0.000 0.000 0.263 145 S C 0.593 175.174 174.600 -0.032 0.000 1.287 145 S CA -1.069 57.101 58.200 -0.051 0.000 0.990 145 S CB 1.137 64.292 63.200 -0.075 0.000 0.950 145 S HN 0.170 nan 8.310 nan 0.000 0.561 146 A N 1.079 123.888 122.820 -0.019 0.000 2.546 146 A HA 0.385 4.705 4.320 -0.000 0.000 0.243 146 A C 0.077 177.658 177.584 -0.004 0.000 1.063 146 A CA -0.486 51.547 52.037 -0.008 0.000 0.757 146 A CB -0.483 18.517 19.000 -0.001 0.000 0.991 146 A HN 0.924 nan 8.150 nan 0.000 0.503 147 V N 5.348 125.261 119.914 -0.002 0.000 2.372 147 V HA 0.038 4.157 4.120 -0.000 0.000 0.261 147 V C 1.105 177.203 176.094 0.007 0.000 1.055 147 V CA -0.071 62.230 62.300 0.001 0.000 0.930 147 V CB 0.466 32.289 31.823 0.000 0.000 1.031 147 V HN 0.865 nan 8.190 nan 0.000 0.479 148 L N 4.019 125.249 121.223 0.010 0.000 2.141 148 L HA 0.043 4.383 4.340 -0.000 0.000 0.209 148 L C 1.112 177.993 176.870 0.019 0.000 1.094 148 L CA 1.387 56.235 54.840 0.014 0.000 0.763 148 L CB -0.352 41.715 42.059 0.013 0.000 0.908 148 L HN 0.945 nan 8.230 nan 0.000 0.437 149 E N -3.784 116.426 120.200 0.018 0.000 2.403 149 E HA 0.387 4.737 4.350 -0.000 0.000 0.280 149 E C -1.253 175.357 176.600 0.015 0.000 1.101 149 E CA -0.838 55.579 56.400 0.029 0.000 0.856 149 E CB 0.918 30.652 29.700 0.057 0.000 1.303 149 E HN -0.236 nan 8.360 nan 0.000 0.441 150 T N 1.312 115.882 114.554 0.027 0.000 2.861 150 T HA 0.569 4.919 4.350 -0.000 0.000 0.287 150 T C -0.692 174.029 174.700 0.036 0.000 1.003 150 T CA -0.671 61.441 62.100 0.020 0.000 0.977 150 T CB 0.744 69.629 68.868 0.029 0.000 0.996 150 T HN 0.353 nan 8.240 nan 0.000 0.448 151 L N 2.509 123.741 121.223 0.014 0.000 2.385 151 L HA 0.561 4.901 4.340 -0.000 0.000 0.273 151 L C -0.700 176.236 176.870 0.110 0.000 0.990 151 L CA -0.987 53.884 54.840 0.052 0.000 0.821 151 L CB 1.991 43.932 42.059 -0.197 0.000 1.279 151 L HN 0.604 nan 8.230 nan 0.000 0.412 152 D N 1.445 121.971 120.400 0.209 0.000 2.280 152 D HA 0.507 5.147 4.640 -0.000 0.000 0.236 152 D C -0.735 175.692 176.300 0.210 0.000 1.082 152 D CA 0.075 54.170 54.000 0.158 0.000 0.834 152 D CB 1.691 42.547 40.800 0.095 0.000 1.100 152 D HN 0.448 nan 8.370 nan 0.000 0.486 153 T N 2.332 117.001 114.554 0.192 0.000 2.894 153 T HA 0.232 4.582 4.350 -0.000 0.000 0.309 153 T C 0.451 175.296 174.700 0.243 0.000 1.208 153 T CA -0.528 61.705 62.100 0.221 0.000 1.016 153 T CB 1.703 70.697 68.868 0.209 0.000 1.192 153 T HN 0.337 nan 8.240 nan 0.000 0.491 154 E N 1.775 122.080 120.200 0.175 0.000 2.016 154 E HA 0.134 4.484 4.350 -0.000 0.000 0.190 154 E C -0.532 176.018 176.600 -0.084 0.000 0.985 154 E CA 1.573 57.991 56.400 0.029 0.000 0.802 154 E CB -0.042 29.616 29.700 -0.071 0.000 0.762 154 E HN 0.650 nan 8.360 nan 0.000 0.448 155 Y N -0.921 119.537 120.300 0.263 0.000 2.528 155 Y HA 0.545 5.094 4.550 -0.000 0.000 0.335 155 Y C -0.088 175.930 175.900 0.198 0.000 1.093 155 Y CA -0.888 57.352 58.100 0.234 0.000 1.134 155 Y CB 1.406 40.033 38.460 0.278 0.000 1.253 155 Y HN -0.141 nan 8.280 nan 0.000 0.478 156 I N 2.638 123.401 120.570 0.322 0.000 2.545 156 I HA 0.331 4.501 4.170 -0.000 0.000 0.292 156 I C -1.476 174.723 176.117 0.136 0.000 1.040 156 I CA -0.855 60.550 61.300 0.176 0.000 1.068 156 I CB 2.104 40.154 38.000 0.084 0.000 1.251 156 I HN 0.319 nan 8.210 nan 0.000 0.424 157 L N 7.625 128.864 121.223 0.026 0.000 2.319 157 L HA 0.557 4.897 4.340 -0.000 0.000 0.281 157 L C -1.165 175.661 176.870 -0.073 0.000 1.005 157 L CA -0.287 54.476 54.840 -0.129 0.000 0.828 157 L CB 1.204 43.067 42.059 -0.327 0.000 1.227 157 L HN 0.411 nan 8.230 nan 0.000 0.415 158 L N 4.987 126.178 121.223 -0.052 0.000 2.255 158 L HA 0.774 5.114 4.340 -0.000 0.000 0.289 158 L C 0.481 177.331 176.870 -0.032 0.000 1.046 158 L CA -0.292 54.529 54.840 -0.032 0.000 0.816 158 L CB 1.203 43.254 42.059 -0.014 0.000 1.197 158 L HN 0.703 nan 8.230 nan 0.000 0.427 159 A N 1.422 124.226 122.820 -0.026 0.000 3.201 159 A HA 0.395 4.714 4.320 -0.000 0.000 0.312 159 A C 1.039 178.628 177.584 0.009 0.000 1.011 159 A CA -0.190 51.843 52.037 -0.008 0.000 0.987 159 A CB -0.331 18.663 19.000 -0.011 0.000 1.060 159 A HN 0.771 nan 8.150 nan 0.000 0.505 160 T N -2.827 111.734 114.554 0.012 0.000 3.129 160 T HA 0.445 4.795 4.350 -0.000 0.000 0.251 160 T C 1.262 175.993 174.700 0.051 0.000 1.117 160 T CA 0.784 62.893 62.100 0.015 0.000 1.034 160 T CB -0.222 68.646 68.868 -0.000 0.000 0.968 160 T HN 1.947 nan 8.240 nan 0.000 0.526 161 G N 1.658 110.499 108.800 0.069 0.000 2.553 161 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.242 161 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.242 161 G C -0.138 174.842 174.900 0.134 0.000 1.277 161 G CA -0.170 44.995 45.100 0.108 0.000 0.910 161 G HN 1.448 nan 8.290 nan 0.000 0.576 162 S N -1.511 114.304 115.700 0.192 0.000 2.806 162 S HA 0.840 5.310 4.470 -0.000 0.000 0.306 162 S C -0.887 173.949 174.600 0.394 0.000 1.167 162 S CA 0.073 58.412 58.200 0.232 0.000 0.847 162 S CB 2.686 65.991 63.200 0.175 0.000 1.216 162 S HN 1.766 nan 8.310 nan 0.000 0.532 163 W N 0.555 121.904 121.300 0.081 0.000 3.167 163 W HA 0.418 5.077 4.660 -0.001 0.000 0.324 163 W C -3.325 173.250 176.519 0.093 0.000 1.230 163 W CA -2.270 55.130 57.345 0.092 0.000 1.184 163 W CB 1.561 31.079 29.460 0.097 0.000 1.414 163 W HN 0.478 nan 8.180 nan 0.000 0.551 164 P HA -0.125 nan 4.420 nan 0.000 0.261 164 P C -0.701 176.672 177.300 0.122 0.000 1.173 164 P CA 0.930 63.956 63.100 -0.123 0.000 0.760 164 P CB 0.405 31.926 31.700 -0.298 0.000 0.783 165 Q N 3.133 122.984 119.800 0.085 0.000 2.286 165 Q HA 0.104 4.443 4.340 -0.000 0.000 0.257 165 Q C -0.276 175.799 176.000 0.125 0.000 0.941 165 Q CA -0.159 55.729 55.803 0.142 0.000 0.912 165 Q CB 0.351 29.137 28.738 0.080 0.000 1.192 165 Q HN 0.544 nan 8.270 nan 0.000 0.410 166 H N 2.302 121.398 119.070 0.043 0.000 2.508 166 H HA 0.273 4.829 4.556 -0.000 0.000 0.344 166 H C -0.734 174.607 175.328 0.022 0.000 1.192 166 H CA -0.811 55.252 56.048 0.024 0.000 1.290 166 H CB 1.501 31.287 29.762 0.040 0.000 1.571 166 H HN 0.463 nan 8.280 nan 0.000 0.555 167 L N 0.831 122.098 121.223 0.073 0.000 2.312 167 L HA 0.275 4.615 4.340 -0.000 0.000 0.281 167 L C 1.246 178.157 176.870 0.068 0.000 1.070 167 L CA 0.043 54.908 54.840 0.042 0.000 0.805 167 L CB 1.043 43.096 42.059 -0.010 0.000 1.174 167 L HN 0.813 nan 8.230 nan 0.000 0.434 168 G N 5.522 114.356 108.800 0.056 0.000 2.679 168 G HA2 -0.029 3.930 3.960 -0.000 0.000 0.212 168 G HA3 -0.029 3.930 3.960 -0.000 0.000 0.212 168 G C 0.807 175.729 174.900 0.036 0.000 1.137 168 G CA 0.413 45.544 45.100 0.052 0.000 0.787 168 G HN 0.813 nan 8.290 nan 0.000 0.534 169 I N -0.832 119.752 120.570 0.024 0.000 3.245 169 I HA 0.196 4.366 4.170 -0.000 0.000 0.290 169 I C 0.348 176.473 176.117 0.013 0.000 1.269 169 I CA -0.573 60.733 61.300 0.010 0.000 1.383 169 I CB 0.512 38.507 38.000 -0.010 0.000 1.337 169 I HN 0.285 nan 8.210 nan 0.000 0.599 170 E N 2.737 122.941 120.200 0.007 0.000 2.301 170 E HA 0.539 4.888 4.350 -0.000 0.000 0.275 170 E C 0.673 177.274 176.600 0.002 0.000 1.030 170 E CA -0.310 56.096 56.400 0.010 0.000 0.852 170 E CB 1.260 30.966 29.700 0.010 0.000 1.060 170 E HN 1.115 nan 8.360 nan 0.000 0.401 171 G N 2.826 111.632 108.800 0.010 0.000 2.176 171 G HA2 -0.375 3.584 3.960 -0.000 0.000 0.232 171 G HA3 -0.375 3.584 3.960 -0.000 0.000 0.232 171 G C 0.604 175.510 174.900 0.009 0.000 0.986 171 G CA 0.307 45.411 45.100 0.006 0.000 0.643 171 G HN 0.764 nan 8.290 nan 0.000 0.522 172 D N 1.397 121.813 120.400 0.025 0.000 2.182 172 D HA -0.107 4.533 4.640 -0.000 0.000 0.201 172 D C 2.136 178.486 176.300 0.083 0.000 0.986 172 D CA 1.604 55.635 54.000 0.052 0.000 0.847 172 D CB -0.112 40.743 40.800 0.093 0.000 0.942 172 D HN 0.529 nan 8.370 nan 0.000 0.467 173 D N -0.007 120.435 120.400 0.070 0.000 2.378 173 D HA -0.160 4.480 4.640 -0.000 0.000 0.222 173 D C 1.764 178.094 176.300 0.050 0.000 0.980 173 D CA 0.522 54.564 54.000 0.069 0.000 0.907 173 D CB -0.141 40.688 40.800 0.049 0.000 0.899 173 D HN 0.402 nan 8.370 nan 0.000 0.527 174 L N 0.076 121.317 121.223 0.030 0.000 2.638 174 L HA 0.176 4.516 4.340 -0.000 0.000 0.232 174 L C 0.861 177.728 176.870 -0.006 0.000 1.099 174 L CA -0.247 54.602 54.840 0.014 0.000 0.883 174 L CB 0.568 42.632 42.059 0.008 0.000 1.136 174 L HN -0.036 nan 8.230 nan 0.000 0.492 175 C N 1.218 120.507 119.300 -0.018 0.000 2.605 175 C HA 0.359 4.819 4.460 -0.000 0.000 0.404 175 C C 0.909 175.867 174.990 -0.053 0.000 1.284 175 C CA -1.245 57.736 59.018 -0.061 0.000 2.199 175 C CB -0.134 27.546 27.740 -0.100 0.000 2.647 175 C HN 0.277 nan 8.230 nan 0.000 0.604 176 I N 1.097 121.614 120.570 -0.089 0.000 3.501 176 I HA 0.851 5.021 4.170 -0.000 0.000 0.297 176 I C 0.418 176.425 176.117 -0.184 0.000 1.199 176 I CA -0.209 61.033 61.300 -0.096 0.000 0.987 176 I CB 1.301 39.251 38.000 -0.083 0.000 1.365 176 I HN 0.706 nan 8.210 nan 0.000 0.574 177 T N -2.431 111.986 114.554 -0.229 0.000 2.669 177 T HA 0.300 4.650 4.350 -0.000 0.000 0.283 177 T C 0.773 175.246 174.700 -0.379 0.000 1.019 177 T CA -0.031 61.882 62.100 -0.312 0.000 1.039 177 T CB 0.930 69.602 68.868 -0.327 0.000 1.374 177 T HN 0.767 nan 8.240 nan 0.000 0.523 178 S N -0.023 115.420 115.700 -0.428 0.000 2.469 178 S HA -0.132 4.338 4.470 -0.000 0.000 0.238 178 S C 1.485 175.943 174.600 -0.237 0.000 0.998 178 S CA 1.206 59.077 58.200 -0.548 0.000 0.957 178 S CB -1.109 61.887 63.200 -0.340 0.000 0.764 178 S HN 0.718 nan 8.310 nan 0.000 0.514 179 N N 1.827 120.374 118.700 -0.256 0.000 2.025 179 N HA -0.129 4.611 4.740 -0.000 0.000 0.194 179 N C 1.617 177.009 175.510 -0.196 0.000 1.044 179 N CA 1.683 54.518 53.050 -0.358 0.000 0.851 179 N CB -0.198 37.669 38.487 -1.033 0.000 1.036 179 N HN 0.445 nan 8.380 nan 0.000 0.422 180 E N 0.686 120.735 120.200 -0.252 0.000 2.208 180 E HA 0.000 4.350 4.350 -0.000 0.000 0.193 180 E C 1.824 178.516 176.600 0.153 0.000 0.988 180 E CA 0.632 57.087 56.400 0.092 0.000 0.828 180 E CB -0.166 29.562 29.700 0.048 0.000 0.763 180 E HN 0.354 nan 8.360 nan 0.000 0.478 181 A N 0.365 123.141 122.820 -0.073 0.000 1.940 181 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 181 A C 1.696 179.318 177.584 0.062 0.000 1.176 181 A CA 1.159 53.138 52.037 -0.096 0.000 0.631 181 A CB -0.810 17.769 19.000 -0.701 0.000 0.814 181 A HN 0.261 nan 8.150 nan 0.000 0.446 182 F N -2.387 117.623 119.950 0.100 0.000 2.451 182 F HA -0.048 4.478 4.527 -0.000 0.000 0.299 182 F C 1.352 176.949 175.800 -0.337 0.000 1.101 182 F CA 0.962 58.892 58.000 -0.117 0.000 1.436 182 F CB -0.250 38.540 39.000 -0.350 0.000 1.074 182 F HN 0.308 nan 8.300 nan 0.000 0.553 183 Y N -0.675 119.855 120.300 0.383 0.000 2.531 183 Y HA 0.308 4.858 4.550 -0.000 0.000 0.249 183 Y C 0.715 176.799 175.900 0.306 0.000 1.168 183 Y CA -0.864 57.424 58.100 0.314 0.000 1.226 183 Y CB -0.302 38.361 38.460 0.339 0.000 1.177 183 Y HN -0.225 nan 8.280 nan 0.000 0.527 184 L N 1.158 122.659 121.223 0.464 0.000 2.529 184 L HA -0.116 4.224 4.340 -0.000 0.000 0.287 184 L C 1.107 178.279 176.870 0.503 0.000 1.241 184 L CA 0.505 55.606 54.840 0.435 0.000 0.857 184 L CB 0.602 42.894 42.059 0.389 0.000 1.113 184 L HN 0.316 nan 8.230 nan 0.000 0.504 185 D N 0.605 121.192 120.400 0.311 0.000 2.149 185 D HA -0.015 4.624 4.640 -0.000 0.000 0.206 185 D C 0.179 176.663 176.300 0.307 0.000 0.967 185 D CA 1.200 55.371 54.000 0.285 0.000 0.848 185 D CB 0.485 41.385 40.800 0.166 0.000 0.998 185 D HN 0.550 nan 8.370 nan 0.000 0.474 186 E N -0.121 120.132 120.200 0.089 0.000 2.263 186 E HA 0.561 4.911 4.350 -0.000 0.000 0.264 186 E C -0.679 175.574 176.600 -0.577 0.000 0.923 186 E CA -0.770 55.588 56.400 -0.071 0.000 0.802 186 E CB 1.554 31.206 29.700 -0.079 0.000 1.228 186 E HN 0.024 nan 8.360 nan 0.000 0.417 187 A N 2.840 125.213 122.820 -0.746 0.000 2.546 187 A HA 0.265 4.585 4.320 -0.000 0.000 0.243 187 A C -1.932 175.331 177.584 -0.535 0.000 1.063 187 A CA -0.782 50.723 52.037 -0.887 0.000 0.757 187 A CB -0.650 18.161 19.000 -0.314 0.000 0.991 187 A HN 0.384 nan 8.150 nan 0.000 0.503 188 P HA 0.168 nan 4.420 nan 0.000 0.276 188 P C 0.056 177.196 177.300 -0.267 0.000 1.230 188 P CA -0.270 62.580 63.100 -0.417 0.000 0.776 188 P CB 1.363 32.712 31.700 -0.584 0.000 0.888 189 K N 3.413 123.719 120.400 -0.157 0.000 2.137 189 K HA 0.025 4.345 4.320 -0.000 0.000 0.202 189 K C 0.534 177.102 176.600 -0.054 0.000 1.052 189 K CA 0.619 56.855 56.287 -0.085 0.000 0.961 189 K CB 0.315 32.781 32.500 -0.058 0.000 0.741 189 K HN 0.368 nan 8.250 nan 0.000 0.452 190 R N 0.891 121.367 120.500 -0.040 0.000 2.360 190 R HA 0.442 4.782 4.340 -0.000 0.000 0.318 190 R C -1.304 175.045 176.300 0.082 0.000 0.950 190 R CA -0.439 55.696 56.100 0.058 0.000 0.837 190 R CB 1.958 32.291 30.300 0.055 0.000 1.165 190 R HN 0.118 nan 8.270 nan 0.000 0.458 191 A N 3.310 126.156 122.820 0.042 0.000 2.365 191 A HA 0.613 4.933 4.320 -0.000 0.000 0.318 191 A C -1.310 176.179 177.584 -0.159 0.000 1.091 191 A CA -0.711 51.248 52.037 -0.131 0.000 0.763 191 A CB 1.513 20.298 19.000 -0.359 0.000 1.248 191 A HN 0.531 nan 8.150 nan 0.000 0.442 192 L N 1.901 122.875 121.223 -0.415 0.000 2.325 192 L HA 0.659 4.999 4.340 -0.000 0.000 0.281 192 L C -1.036 175.704 176.870 -0.217 0.000 1.004 192 L CA -0.242 54.276 54.840 -0.537 0.000 0.823 192 L CB 1.115 42.591 42.059 -0.971 0.000 1.236 192 L HN 0.651 nan 8.230 nan 0.000 0.415 193 C N 4.861 124.110 119.300 -0.084 0.000 2.281 193 C HA 0.608 5.068 4.460 -0.000 0.000 0.323 193 C C -0.082 174.886 174.990 -0.036 0.000 1.270 193 C CA -0.991 58.011 59.018 -0.027 0.000 1.559 193 C CB 0.905 28.670 27.740 0.041 0.000 2.239 193 C HN 0.553 nan 8.230 nan 0.000 0.488 194 V N 4.119 124.002 119.914 -0.052 0.000 2.348 194 V HA 0.866 4.986 4.120 -0.000 0.000 0.270 194 V C 0.595 176.687 176.094 -0.003 0.000 1.037 194 V CA 0.406 62.697 62.300 -0.014 0.000 0.872 194 V CB 0.418 32.216 31.823 -0.042 0.000 1.002 194 V HN 1.248 nan 8.190 nan 0.000 0.464 195 G N 3.192 112.022 108.800 0.051 0.000 2.318 195 G HA2 0.391 4.351 3.960 -0.000 0.000 0.302 195 G HA3 0.391 4.351 3.960 -0.000 0.000 0.302 195 G C 0.028 174.884 174.900 -0.072 0.000 1.633 195 G CA -0.291 44.833 45.100 0.041 0.000 0.965 195 G HN 0.919 nan 8.290 nan 0.000 0.698 196 G N -0.567 108.044 108.800 -0.314 0.000 3.502 196 G HA2 0.614 4.574 3.960 -0.000 0.000 0.267 196 G HA3 0.614 4.574 3.960 -0.000 0.000 0.267 196 G C 0.707 175.358 174.900 -0.416 0.000 1.090 196 G CA 0.952 45.609 45.100 -0.739 0.000 0.795 196 G HN 1.223 nan 8.290 nan 0.000 0.535 197 G N -0.721 107.958 108.800 -0.201 0.000 2.552 197 G HA2 0.406 4.366 3.960 -0.000 0.000 0.324 197 G HA3 0.406 4.366 3.960 -0.000 0.000 0.324 197 G C 0.766 175.635 174.900 -0.052 0.000 1.217 197 G CA -0.461 44.596 45.100 -0.073 0.000 0.989 197 G HN 0.242 nan 8.290 nan 0.000 0.490 198 Y N -0.575 119.687 120.300 -0.063 0.000 2.193 198 Y HA -0.175 4.375 4.550 -0.000 0.000 0.285 198 Y C 2.145 178.037 175.900 -0.013 0.000 1.166 198 Y CA 1.671 59.730 58.100 -0.069 0.000 1.181 198 Y CB -0.551 37.902 38.460 -0.012 0.000 0.976 198 Y HN 0.239 nan 8.280 nan 0.000 0.520 199 I N -0.066 120.155 120.570 -0.581 0.000 2.233 199 I HA -0.247 3.923 4.170 -0.000 0.000 0.243 199 I C 2.867 178.929 176.117 -0.091 0.000 1.093 199 I CA 1.491 62.568 61.300 -0.372 0.000 1.380 199 I CB -0.643 37.107 38.000 -0.417 0.000 1.067 199 I HN 0.366 nan 8.210 nan 0.000 0.413 200 S N 1.053 116.684 115.700 -0.115 0.000 2.351 200 S HA -0.195 4.275 4.470 -0.000 0.000 0.220 200 S C 2.094 176.671 174.600 -0.038 0.000 1.035 200 S CA 1.654 59.816 58.200 -0.064 0.000 1.031 200 S CB -0.342 62.806 63.200 -0.087 0.000 0.928 200 S HN 0.302 nan 8.310 nan 0.000 0.433 201 I N 1.048 121.578 120.570 -0.067 0.000 2.286 201 I HA -0.174 3.995 4.170 -0.000 0.000 0.248 201 I C 2.566 178.646 176.117 -0.062 0.000 1.115 201 I CA 1.394 62.654 61.300 -0.066 0.000 1.392 201 I CB -0.352 37.589 38.000 -0.099 0.000 1.065 201 I HN 0.419 nan 8.210 nan 0.000 0.418 202 E N 0.320 120.483 120.200 -0.063 0.000 2.031 202 E HA -0.208 4.141 4.350 -0.000 0.000 0.193 202 E C 2.118 178.565 176.600 -0.255 0.000 0.994 202 E CA 1.410 57.739 56.400 -0.119 0.000 0.800 202 E CB -0.130 29.512 29.700 -0.098 0.000 0.752 202 E HN 0.347 nan 8.360 nan 0.000 0.447 203 F N 0.657 120.447 119.950 -0.266 0.000 2.293 203 F HA -0.110 4.417 4.527 0.000 0.000 0.300 203 F C 2.266 177.785 175.800 -0.469 0.000 1.086 203 F CA 0.910 58.613 58.000 -0.494 0.000 1.375 203 F CB -0.231 38.394 39.000 -0.625 0.000 1.045 203 F HN 0.023 nan 8.300 nan 0.000 0.516 204 A N 0.061 122.857 122.820 -0.039 0.000 1.902 204 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 204 A C 2.560 180.166 177.584 0.037 0.000 1.181 204 A CA 1.744 53.817 52.037 0.059 0.000 0.623 204 A CB -1.560 17.467 19.000 0.045 0.000 0.818 204 A HN 0.388 nan 8.150 nan 0.000 0.443 205 G N -0.232 108.553 108.800 -0.025 0.000 2.422 205 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.218 205 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.218 205 G C 1.496 176.407 174.900 0.019 0.000 1.140 205 G CA 1.092 46.189 45.100 -0.006 0.000 0.775 205 G HN 0.485 nan 8.290 nan 0.000 0.545 206 I N -0.220 120.310 120.570 -0.067 0.000 2.193 206 I HA -0.029 4.141 4.170 -0.000 0.000 0.240 206 I C 2.310 178.580 176.117 0.255 0.000 1.084 206 I CA 0.595 61.908 61.300 0.023 0.000 1.365 206 I CB -0.216 37.617 38.000 -0.279 0.000 1.064 206 I HN 0.009 nan 8.210 nan 0.000 0.410 207 F N 1.110 121.163 119.950 0.171 0.000 2.171 207 F HA -0.213 4.314 4.527 -0.000 0.000 0.300 207 F C 2.343 178.198 175.800 0.091 0.000 1.090 207 F CA 1.277 59.339 58.000 0.103 0.000 1.293 207 F CB -1.485 37.535 39.000 0.033 0.000 1.013 207 F HN 0.163 nan 8.300 nan 0.000 0.486 208 N N 0.372 119.222 118.700 0.249 0.000 2.120 208 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 208 N C 1.819 177.399 175.510 0.117 0.000 1.024 208 N CA 1.440 54.576 53.050 0.144 0.000 0.852 208 N CB -0.276 38.265 38.487 0.091 0.000 1.003 208 N HN 0.156 nan 8.380 nan 0.000 0.424 209 A N -1.373 121.528 122.820 0.136 0.000 1.970 209 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 209 A C 1.355 178.898 177.584 -0.068 0.000 1.170 209 A CA 0.839 52.894 52.037 0.030 0.000 0.645 209 A CB -0.598 18.413 19.000 0.019 0.000 0.816 209 A HN 0.473 nan 8.150 nan 0.000 0.447 210 Y N 0.637 121.039 120.300 0.170 0.000 2.457 210 Y HA 0.124 4.674 4.550 -0.000 0.000 0.263 210 Y C 1.139 177.091 175.900 0.087 0.000 1.164 210 Y CA 0.120 58.334 58.100 0.189 0.000 1.274 210 Y CB 0.201 38.894 38.460 0.388 0.000 1.097 210 Y HN 0.323 nan 8.280 nan 0.000 0.523 211 K N 0.985 121.463 120.400 0.129 0.000 2.276 211 K HA 0.479 4.799 4.320 -0.000 0.000 0.259 211 K C 0.175 176.792 176.600 0.029 0.000 1.001 211 K CA -0.223 56.088 56.287 0.040 0.000 0.927 211 K CB 0.810 33.322 32.500 0.021 0.000 0.969 211 K HN 0.005 nan 8.250 nan 0.000 0.490 212 A N 2.393 125.217 122.820 0.006 0.000 2.445 212 A HA 0.057 4.377 4.320 -0.000 0.000 0.242 212 A C 1.184 178.772 177.584 0.006 0.000 1.075 212 A CA -0.440 51.602 52.037 0.008 0.000 0.777 212 A CB 0.357 19.355 19.000 -0.003 0.000 1.013 212 A HN 0.881 nan 8.150 nan 0.000 0.493 213 R N 2.058 122.563 120.500 0.008 0.000 2.134 213 R HA -0.212 4.128 4.340 -0.000 0.000 0.248 213 R C 1.846 178.148 176.300 0.003 0.000 1.143 213 R CA 2.010 58.114 56.100 0.007 0.000 0.957 213 R CB -0.875 29.430 30.300 0.008 0.000 0.867 213 R HN 0.874 nan 8.270 nan 0.000 0.441 214 G N -0.080 108.720 108.800 -0.001 0.000 3.210 214 G HA2 0.154 4.114 3.960 -0.000 0.000 0.220 214 G HA3 0.154 4.114 3.960 -0.000 0.000 0.220 214 G C 0.568 175.465 174.900 -0.005 0.000 1.200 214 G CA 0.367 45.465 45.100 -0.003 0.000 0.834 214 G HN 0.401 nan 8.290 nan 0.000 0.524 215 G N -1.008 107.791 108.800 -0.002 0.000 2.543 215 G HA2 0.533 4.493 3.960 -0.000 0.000 0.290 215 G HA3 0.533 4.493 3.960 -0.000 0.000 0.290 215 G C -0.687 174.219 174.900 0.010 0.000 1.310 215 G CA -0.555 44.544 45.100 -0.002 0.000 1.025 215 G HN 0.378 nan 8.290 nan 0.000 0.502 216 Q N -1.636 118.179 119.800 0.024 0.000 2.320 216 Q HA 0.469 4.809 4.340 -0.000 0.000 0.272 216 Q C -1.624 174.424 176.000 0.080 0.000 1.023 216 Q CA -0.537 55.293 55.803 0.046 0.000 0.855 216 Q CB 2.401 31.168 28.738 0.048 0.000 1.367 216 Q HN 0.421 nan 8.270 nan 0.000 0.406 217 V N 3.703 123.666 119.914 0.082 0.000 2.370 217 V HA 0.405 4.525 4.120 -0.000 0.000 0.279 217 V C -0.781 175.370 176.094 0.094 0.000 1.029 217 V CA -0.490 61.870 62.300 0.099 0.000 0.870 217 V CB 1.514 33.408 31.823 0.119 0.000 0.984 217 V HN 0.764 nan 8.190 nan 0.000 0.451 218 D N 3.758 124.219 120.400 0.102 0.000 2.168 218 D HA 0.516 5.156 4.640 -0.000 0.000 0.246 218 D C -0.604 175.712 176.300 0.027 0.000 1.050 218 D CA -0.254 53.793 54.000 0.078 0.000 0.857 218 D CB 2.062 42.944 40.800 0.138 0.000 1.169 218 D HN 0.321 nan 8.370 nan 0.000 0.453 219 L N 2.171 123.408 121.223 0.022 0.000 2.294 219 L HA 0.661 5.001 4.340 -0.000 0.000 0.283 219 L C -0.932 175.955 176.870 0.028 0.000 1.015 219 L CA -0.700 54.150 54.840 0.016 0.000 0.831 219 L CB 0.952 43.015 42.059 0.006 0.000 1.217 219 L HN 0.391 nan 8.230 nan 0.000 0.420 220 A N 4.606 127.458 122.820 0.053 0.000 2.324 220 A HA 0.741 5.061 4.320 -0.000 0.000 0.330 220 A C -1.757 175.923 177.584 0.161 0.000 1.165 220 A CA -0.389 51.702 52.037 0.090 0.000 0.813 220 A CB 0.846 19.950 19.000 0.172 0.000 1.197 220 A HN 0.710 nan 8.150 nan 0.000 0.484 221 Y N 0.835 121.119 120.300 -0.026 0.000 2.552 221 Y HA 0.459 5.009 4.550 -0.000 0.000 0.337 221 Y C 0.735 176.598 175.900 -0.061 0.000 1.094 221 Y CA -1.112 56.964 58.100 -0.040 0.000 1.028 221 Y CB 1.463 39.889 38.460 -0.058 0.000 1.321 221 Y HN 0.766 nan 8.280 nan 0.000 0.456 222 R N 2.529 122.625 120.500 -0.674 0.000 2.073 222 R HA 0.098 4.438 4.340 -0.000 0.000 0.229 222 R C 1.177 176.969 176.300 -0.848 0.000 1.120 222 R CA 1.063 56.803 56.100 -0.600 0.000 0.967 222 R CB -0.372 29.682 30.300 -0.410 0.000 0.862 222 R HN 0.793 nan 8.270 nan 0.000 0.436 223 G N 0.050 107.869 108.800 -1.635 0.000 2.583 223 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.275 223 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.275 223 G C -0.311 174.157 174.900 -0.719 0.000 1.342 223 G CA -0.141 44.395 45.100 -0.940 0.000 1.030 223 G HN 0.058 nan 8.290 nan 0.000 0.520 224 D N -1.391 118.821 120.400 -0.314 0.000 2.213 224 D HA 0.149 4.789 4.640 -0.000 0.000 0.205 224 D C 0.847 177.127 176.300 -0.034 0.000 0.961 224 D CA 0.857 54.717 54.000 -0.234 0.000 0.853 224 D CB 0.198 41.024 40.800 0.044 0.000 0.967 224 D HN 0.123 nan 8.370 nan 0.000 0.496 225 M N 0.496 120.172 119.600 0.127 0.000 2.433 225 M HA 0.297 4.777 4.480 -0.000 0.000 0.290 225 M C -1.240 175.161 176.300 0.167 0.000 1.173 225 M CA -0.982 54.395 55.300 0.129 0.000 0.905 225 M CB 2.327 34.975 32.600 0.080 0.000 1.692 225 M HN -0.129 nan 8.290 nan 0.000 0.462 226 I N 1.046 121.613 120.570 -0.005 0.000 3.112 226 I HA 0.200 4.370 4.170 -0.000 0.000 0.284 226 I C 0.178 176.179 176.117 -0.194 0.000 1.227 226 I CA -0.524 60.610 61.300 -0.277 0.000 1.369 226 I CB 0.121 37.990 38.000 -0.218 0.000 1.376 226 I HN 0.749 nan 8.210 nan 0.000 0.608 227 L N 1.817 122.881 121.223 -0.264 0.000 3.601 227 L HA -0.199 4.141 4.340 -0.000 0.000 0.469 227 L C 0.814 177.787 176.870 0.172 0.000 1.294 227 L CA 1.400 56.184 54.840 -0.095 0.000 0.829 227 L CB -1.352 40.550 42.059 -0.262 0.000 1.628 227 L HN 1.007 nan 8.230 nan 0.000 0.868 228 R N 0.568 121.126 120.500 0.096 0.000 2.538 228 R HA 0.284 4.624 4.340 -0.000 0.000 0.273 228 R C 1.438 177.849 176.300 0.185 0.000 0.967 228 R CA 1.273 57.462 56.100 0.148 0.000 1.101 228 R CB 0.053 30.439 30.300 0.143 0.000 0.908 228 R HN 0.983 nan 8.270 nan 0.000 0.411 229 G N 2.370 111.224 108.800 0.090 0.000 2.241 229 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.244 229 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.244 229 G C -0.173 174.615 174.900 -0.188 0.000 0.998 229 G CA 0.166 45.226 45.100 -0.067 0.000 0.621 229 G HN 0.525 nan 8.290 nan 0.000 0.519 230 F N 1.284 121.222 119.950 -0.021 0.000 2.403 230 F HA 0.572 5.099 4.527 -0.000 0.000 0.326 230 F C 0.817 176.571 175.800 -0.077 0.000 1.099 230 F CA -0.690 57.289 58.000 -0.034 0.000 1.036 230 F CB 0.378 39.359 39.000 -0.032 0.000 1.336 230 F HN -0.004 nan 8.300 nan 0.000 0.497 231 D N 0.177 120.610 120.400 0.054 0.000 2.458 231 D HA -0.020 4.620 4.640 -0.000 0.000 0.243 231 D C 0.774 177.078 176.300 0.007 0.000 1.146 231 D CA 0.333 54.273 54.000 -0.100 0.000 0.877 231 D CB 1.306 41.949 40.800 -0.263 0.000 1.176 231 D HN 0.460 nan 8.370 nan 0.000 0.461 232 S N 3.249 118.957 115.700 0.013 0.000 2.382 232 S HA -0.193 4.277 4.470 -0.000 0.000 0.228 232 S C 1.502 176.121 174.600 0.031 0.000 1.027 232 S CA 0.907 59.128 58.200 0.036 0.000 0.991 232 S CB -0.032 63.196 63.200 0.047 0.000 0.823 232 S HN 0.574 nan 8.310 nan 0.000 0.469 233 E N 1.132 121.350 120.200 0.031 0.000 2.072 233 E HA -0.003 4.347 4.350 -0.000 0.000 0.191 233 E C 1.793 178.398 176.600 0.009 0.000 0.985 233 E CA 0.635 57.053 56.400 0.029 0.000 0.801 233 E CB -0.329 29.401 29.700 0.050 0.000 0.750 233 E HN 0.255 nan 8.360 nan 0.000 0.452 234 L N 0.320 121.545 121.223 0.002 0.000 2.109 234 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 234 L C 2.178 179.029 176.870 -0.032 0.000 1.086 234 L CA 1.439 56.267 54.840 -0.021 0.000 0.760 234 L CB -0.341 41.714 42.059 -0.006 0.000 0.910 234 L HN 0.035 nan 8.230 nan 0.000 0.437 235 R N -0.851 119.643 120.500 -0.011 0.000 2.096 235 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 235 R C 2.227 178.513 176.300 -0.024 0.000 1.127 235 R CA 1.189 57.273 56.100 -0.027 0.000 0.968 235 R CB -0.263 30.043 30.300 0.009 0.000 0.861 235 R HN 0.254 nan 8.270 nan 0.000 0.440 236 K N 0.282 120.678 120.400 -0.006 0.000 2.001 236 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 236 K C 2.263 178.856 176.600 -0.013 0.000 1.048 236 K CA 1.173 57.459 56.287 -0.002 0.000 0.932 236 K CB 0.150 32.656 32.500 0.010 0.000 0.715 236 K HN 0.005 nan 8.250 nan 0.000 0.437 237 Q N 0.682 120.471 119.800 -0.019 0.000 2.046 237 Q HA -0.152 4.188 4.340 -0.000 0.000 0.200 237 Q C 2.146 178.124 176.000 -0.037 0.000 0.975 237 Q CA 1.135 56.922 55.803 -0.026 0.000 0.836 237 Q CB -0.426 28.289 28.738 -0.038 0.000 0.896 237 Q HN 0.256 nan 8.270 nan 0.000 0.428 238 L N 0.706 121.894 121.223 -0.058 0.000 2.042 238 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 238 L C 2.058 178.894 176.870 -0.057 0.000 1.076 238 L CA 2.073 56.871 54.840 -0.070 0.000 0.749 238 L CB -0.987 41.008 42.059 -0.108 0.000 0.893 238 L HN 0.172 nan 8.230 nan 0.000 0.432 239 T N -0.491 114.033 114.554 -0.051 0.000 2.720 239 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 239 T C 1.692 176.366 174.700 -0.043 0.000 1.037 239 T CA 1.742 63.815 62.100 -0.044 0.000 1.144 239 T CB -0.278 68.572 68.868 -0.029 0.000 0.864 239 T HN 0.498 nan 8.240 nan 0.000 0.444 240 E N 1.189 121.369 120.200 -0.035 0.000 2.051 240 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 240 E C 2.504 179.066 176.600 -0.064 0.000 0.991 240 E CA 1.059 57.435 56.400 -0.040 0.000 0.799 240 E CB -0.196 29.494 29.700 -0.017 0.000 0.748 240 E HN 0.615 nan 8.360 nan 0.000 0.449 241 Q N 0.123 119.909 119.800 -0.023 0.000 2.167 241 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 241 Q C 2.227 178.185 176.000 -0.071 0.000 0.970 241 Q CA 0.651 56.463 55.803 0.014 0.000 0.855 241 Q CB -0.021 28.778 28.738 0.101 0.000 0.911 241 Q HN 0.145 nan 8.270 nan 0.000 0.438 242 L N 0.817 122.003 121.223 -0.062 0.000 2.017 242 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 242 L C 2.278 179.091 176.870 -0.095 0.000 1.073 242 L CA 1.749 56.550 54.840 -0.065 0.000 0.745 242 L CB -0.504 41.523 42.059 -0.053 0.000 0.894 242 L HN 0.090 nan 8.230 nan 0.000 0.432 243 R N -1.040 119.399 120.500 -0.101 0.000 2.091 243 R HA -0.150 4.190 4.340 -0.000 0.000 0.238 243 R C 2.161 178.351 176.300 -0.183 0.000 1.136 243 R CA 1.336 57.370 56.100 -0.110 0.000 0.959 243 R CB -0.639 29.608 30.300 -0.089 0.000 0.856 243 R HN 0.400 nan 8.270 nan 0.000 0.437 244 A N 1.128 123.763 122.820 -0.307 0.000 2.019 244 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 244 A C 1.750 178.986 177.584 -0.579 0.000 1.164 244 A CA 1.401 53.099 52.037 -0.565 0.000 0.644 244 A CB -0.332 17.985 19.000 -1.139 0.000 0.805 244 A HN 0.200 nan 8.150 nan 0.000 0.449 245 N N -1.266 117.211 118.700 -0.373 0.000 2.336 245 N HA 0.175 4.915 4.740 -0.000 0.000 0.189 245 N C 0.907 176.361 175.510 -0.094 0.000 1.113 245 N CA 1.071 54.016 53.050 -0.175 0.000 0.858 245 N CB 0.383 38.840 38.487 -0.050 0.000 0.970 245 N HN 0.557 nan 8.380 nan 0.000 0.471 246 G N -0.250 108.491 108.800 -0.099 0.000 2.205 246 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.180 246 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.180 246 G C -0.099 174.785 174.900 -0.026 0.000 1.004 246 G CA -0.399 44.669 45.100 -0.052 0.000 0.670 246 G HN 0.215 nan 8.290 nan 0.000 0.496 247 I N 1.632 122.184 120.570 -0.030 0.000 2.371 247 I HA 0.226 4.396 4.170 -0.000 0.000 0.290 247 I C 0.312 176.423 176.117 -0.010 0.000 1.028 247 I CA -0.807 60.489 61.300 -0.006 0.000 1.345 247 I CB 1.133 39.130 38.000 -0.005 0.000 1.407 247 I HN 0.078 nan 8.210 nan 0.000 0.501 248 N N 6.801 125.506 118.700 0.008 0.000 2.415 248 N HA 0.123 4.863 4.740 -0.000 0.000 0.250 248 N C -0.922 174.587 175.510 -0.001 0.000 1.127 248 N CA -0.144 52.906 53.050 0.001 0.000 0.945 248 N CB 0.633 39.130 38.487 0.016 0.000 1.196 248 N HN 0.262 nan 8.380 nan 0.000 0.499 249 V N 5.432 125.338 119.914 -0.013 0.000 2.408 249 V HA 0.286 4.406 4.120 -0.000 0.000 0.267 249 V C 0.589 176.674 176.094 -0.015 0.000 1.047 249 V CA -0.424 61.870 62.300 -0.010 0.000 0.937 249 V CB 0.343 32.158 31.823 -0.013 0.000 0.999 249 V HN 0.485 nan 8.190 nan 0.000 0.472 250 R N 3.390 123.877 120.500 -0.021 0.000 2.278 250 R HA 0.384 4.724 4.340 -0.000 0.000 0.322 250 R C 0.432 176.719 176.300 -0.022 0.000 1.058 250 R CA -0.371 55.697 56.100 -0.053 0.000 0.991 250 R CB 1.014 31.228 30.300 -0.142 0.000 1.140 250 R HN 0.847 nan 8.270 nan 0.000 0.518 251 T N -1.738 112.816 114.554 0.000 0.000 2.788 251 T HA 0.102 4.451 4.350 -0.000 0.000 0.280 251 T C 0.448 175.126 174.700 -0.038 0.000 0.984 251 T CA -0.600 61.476 62.100 -0.040 0.000 0.972 251 T CB 0.406 69.243 68.868 -0.051 0.000 1.039 251 T HN 0.820 nan 8.240 nan 0.000 0.530 252 H N -1.307 117.707 119.070 -0.093 0.000 2.731 252 H HA -0.101 4.455 4.556 -0.000 0.000 0.305 252 H C -0.197 175.082 175.328 -0.081 0.000 1.132 252 H CA 1.108 57.093 56.048 -0.106 0.000 1.148 252 H CB -1.281 28.437 29.762 -0.074 0.000 1.379 252 H HN 0.503 nan 8.280 nan 0.000 0.398 253 E N 0.461 120.647 120.200 -0.024 0.000 2.222 253 E HA 0.502 4.852 4.350 -0.000 0.000 0.267 253 E C -0.473 176.181 176.600 0.091 0.000 0.884 253 E CA -0.894 55.519 56.400 0.022 0.000 0.764 253 E CB 1.953 31.601 29.700 -0.086 0.000 1.169 253 E HN 0.263 nan 8.360 nan 0.000 0.413 254 N N 2.269 121.079 118.700 0.184 0.000 2.369 254 N HA 0.365 5.105 4.740 -0.000 0.000 0.287 254 N C -2.961 172.667 175.510 0.197 0.000 1.067 254 N CA -1.876 51.266 53.050 0.154 0.000 0.888 254 N CB 2.014 40.537 38.487 0.060 0.000 1.616 254 N HN -0.000 nan 8.380 nan 0.000 0.482 255 P HA 0.047 nan 4.420 nan 0.000 0.263 255 P C -0.486 176.777 177.300 -0.061 0.000 1.175 255 P CA 0.252 63.261 63.100 -0.150 0.000 0.761 255 P CB 0.718 32.298 31.700 -0.201 0.000 0.794 256 A N 3.586 126.360 122.820 -0.077 0.000 2.055 256 A HA 0.160 4.480 4.320 -0.000 0.000 0.205 256 A C 0.645 178.201 177.584 -0.047 0.000 1.235 256 A CA 0.969 52.987 52.037 -0.031 0.000 0.822 256 A CB -0.004 18.995 19.000 -0.001 0.000 0.903 256 A HN 0.514 nan 8.150 nan 0.000 0.473 257 K N -0.581 119.770 120.400 -0.082 0.000 2.572 257 K HA 0.519 4.839 4.320 -0.000 0.000 0.263 257 K C -2.340 174.211 176.600 -0.083 0.000 0.932 257 K CA -0.426 55.828 56.287 -0.054 0.000 0.838 257 K CB 2.013 34.501 32.500 -0.020 0.000 1.366 257 K HN -0.045 nan 8.250 nan 0.000 0.425 258 V N 2.904 122.786 119.914 -0.053 0.000 2.531 258 V HA 0.511 4.630 4.120 -0.000 0.000 0.301 258 V C -0.374 175.721 176.094 0.003 0.000 1.034 258 V CA -0.494 61.775 62.300 -0.051 0.000 0.865 258 V CB 1.687 33.471 31.823 -0.066 0.000 0.995 258 V HN 0.991 nan 8.190 nan 0.000 0.424 259 T N 1.392 115.971 114.554 0.042 0.000 2.926 259 T HA 0.663 5.013 4.350 -0.000 0.000 0.289 259 T C -0.622 174.112 174.700 0.056 0.000 1.054 259 T CA -0.947 61.184 62.100 0.052 0.000 1.015 259 T CB 2.342 71.250 68.868 0.067 0.000 1.167 259 T HN 0.537 nan 8.240 nan 0.000 0.526 260 K N 0.549 120.969 120.400 0.034 0.000 2.098 260 K HA 0.472 4.792 4.320 -0.000 0.000 0.258 260 K C -0.552 176.058 176.600 0.016 0.000 0.973 260 K CA -0.708 55.595 56.287 0.027 0.000 0.898 260 K CB 0.641 33.150 32.500 0.016 0.000 1.057 260 K HN 0.546 nan 8.250 nan 0.000 0.447 261 N N 0.635 119.342 118.700 0.012 0.000 2.471 261 N HA 0.263 5.003 4.740 -0.000 0.000 0.288 261 N C 0.266 175.770 175.510 -0.011 0.000 1.220 261 N CA -0.215 52.830 53.050 -0.009 0.000 0.893 261 N CB 1.587 40.071 38.487 -0.005 0.000 1.256 261 N HN 0.674 nan 8.380 nan 0.000 0.534 262 A N 0.017 122.826 122.820 -0.019 0.000 2.019 262 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 262 A C 0.791 178.370 177.584 -0.009 0.000 1.164 262 A CA 1.748 53.777 52.037 -0.014 0.000 0.644 262 A CB -0.429 18.561 19.000 -0.018 0.000 0.805 262 A HN 0.732 nan 8.150 nan 0.000 0.449 263 D N -2.172 118.222 120.400 -0.009 0.000 2.328 263 D HA 0.309 4.949 4.640 -0.000 0.000 0.221 263 D C 1.074 177.372 176.300 -0.004 0.000 1.072 263 D CA 0.589 54.585 54.000 -0.007 0.000 0.850 263 D CB -0.703 40.092 40.800 -0.010 0.000 0.922 263 D HN 0.687 nan 8.370 nan 0.000 0.516 264 G N 0.641 109.441 108.800 -0.001 0.000 2.147 264 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.244 264 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.244 264 G C 0.421 175.323 174.900 0.003 0.000 1.005 264 G CA 0.586 45.687 45.100 0.003 0.000 0.713 264 G HN 0.740 nan 8.290 nan 0.000 0.515 265 T N -1.354 113.203 114.554 0.005 0.000 2.918 265 T HA 0.756 5.106 4.350 -0.000 0.000 0.283 265 T C 0.381 175.101 174.700 0.033 0.000 1.001 265 T CA -0.758 61.349 62.100 0.011 0.000 1.041 265 T CB 1.936 70.805 68.868 0.003 0.000 1.028 265 T HN 0.402 nan 8.240 nan 0.000 0.511 266 R N 0.891 121.421 120.500 0.051 0.000 2.598 266 R HA 0.476 4.816 4.340 -0.000 0.000 0.279 266 R C -0.886 175.479 176.300 0.107 0.000 0.984 266 R CA -0.838 55.302 56.100 0.067 0.000 0.999 266 R CB 0.109 30.433 30.300 0.041 0.000 1.114 266 R HN 0.965 nan 8.270 nan 0.000 0.493 267 H N 0.196 119.265 119.070 -0.001 0.000 2.589 267 H HA 0.474 5.030 4.556 -0.000 0.000 0.335 267 H C -1.233 174.075 175.328 -0.032 0.000 1.019 267 H CA -0.619 55.420 56.048 -0.015 0.000 1.213 267 H CB 1.174 30.920 29.762 -0.026 0.000 1.472 267 H HN 0.269 nan 8.280 nan 0.000 0.508 268 V N 6.142 125.798 119.914 -0.429 0.000 2.435 268 V HA 0.322 4.441 4.120 -0.000 0.000 0.290 268 V C -0.396 175.370 176.094 -0.546 0.000 1.030 268 V CA -0.899 61.133 62.300 -0.447 0.000 0.881 268 V CB 1.586 33.094 31.823 -0.525 0.000 0.983 268 V HN 0.591 nan 8.190 nan 0.000 0.445 269 V N 5.325 125.018 119.914 -0.368 0.000 2.328 269 V HA 0.444 4.564 4.120 -0.000 0.000 0.278 269 V C -0.269 175.714 176.094 -0.184 0.000 1.021 269 V CA -0.403 61.792 62.300 -0.175 0.000 0.838 269 V CB 0.941 32.738 31.823 -0.044 0.000 0.999 269 V HN 0.622 nan 8.190 nan 0.000 0.447 270 F N 2.058 121.997 119.950 -0.018 0.000 2.380 270 F HA 0.275 4.803 4.527 0.000 0.000 0.325 270 F C 1.700 177.500 175.800 -0.000 0.000 1.136 270 F CA -0.208 57.789 58.000 -0.005 0.000 1.171 270 F CB 0.775 39.778 39.000 0.005 0.000 1.230 270 F HN 0.545 nan 8.300 nan 0.000 0.554 271 E N 0.061 120.390 120.200 0.215 0.000 2.265 271 E HA -0.152 4.197 4.350 -0.000 0.000 0.196 271 E C 1.913 178.574 176.600 0.101 0.000 0.996 271 E CA 1.288 57.757 56.400 0.116 0.000 0.832 271 E CB -0.041 29.713 29.700 0.090 0.000 0.756 271 E HN 0.622 nan 8.360 nan 0.000 0.491 272 S N -0.822 114.951 115.700 0.121 0.000 2.555 272 S HA 0.043 4.513 4.470 -0.000 0.000 0.230 272 S C 1.673 176.315 174.600 0.071 0.000 0.978 272 S CA 0.522 58.763 58.200 0.068 0.000 0.934 272 S CB 0.190 63.407 63.200 0.028 0.000 0.766 272 S HN 0.379 nan 8.310 nan 0.000 0.533 273 G N 0.662 109.524 108.800 0.103 0.000 2.179 273 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.260 273 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.260 273 G C 0.311 175.277 174.900 0.109 0.000 0.977 273 G CA 0.035 45.187 45.100 0.087 0.000 0.641 273 G HN 1.294 nan 8.290 nan 0.000 0.533 274 A N -0.265 122.643 122.820 0.147 0.000 2.406 274 A HA 0.664 4.984 4.320 -0.000 0.000 0.243 274 A C 0.356 178.103 177.584 0.271 0.000 1.082 274 A CA 0.629 52.761 52.037 0.157 0.000 0.786 274 A CB 0.421 19.457 19.000 0.059 0.000 1.029 274 A HN 0.508 nan 8.150 nan 0.000 0.495 275 E N -0.945 119.378 120.200 0.205 0.000 2.340 275 E HA 0.656 5.006 4.350 -0.000 0.000 0.273 275 E C -0.905 175.740 176.600 0.076 0.000 0.891 275 E CA -0.575 55.887 56.400 0.103 0.000 0.757 275 E CB 2.312 32.067 29.700 0.092 0.000 1.231 275 E HN 1.039 nan 8.360 nan 0.000 0.439 276 A N 2.509 125.269 122.820 -0.101 0.000 2.599 276 A HA 0.423 4.743 4.320 -0.000 0.000 0.294 276 A C -1.853 175.523 177.584 -0.347 0.000 1.055 276 A CA -0.876 51.072 52.037 -0.150 0.000 0.683 276 A CB 1.484 20.485 19.000 0.002 0.000 1.278 276 A HN 0.543 nan 8.150 nan 0.000 0.412 277 D N 0.210 120.358 120.400 -0.419 0.000 2.248 277 D HA 0.666 5.306 4.640 -0.000 0.000 0.246 277 D C -1.496 174.459 176.300 -0.574 0.000 1.027 277 D CA 0.449 54.274 54.000 -0.292 0.000 0.853 277 D CB 1.654 42.401 40.800 -0.089 0.000 1.243 277 D HN 0.415 nan 8.370 nan 0.000 0.462 278 Y N -0.005 120.278 120.300 -0.028 0.000 2.562 278 Y HA 0.115 4.665 4.550 -0.000 0.000 0.345 278 Y C 0.856 176.712 175.900 -0.073 0.000 1.045 278 Y CA -0.895 57.172 58.100 -0.054 0.000 1.028 278 Y CB 1.559 39.980 38.460 -0.066 0.000 1.297 278 Y HN 0.126 nan 8.280 nan 0.000 0.463 279 D N 0.488 120.927 120.400 0.064 0.000 2.144 279 D HA 0.009 4.649 4.640 -0.000 0.000 0.200 279 D C -0.241 176.023 176.300 -0.060 0.000 0.978 279 D CA 1.466 55.449 54.000 -0.029 0.000 0.833 279 D CB 0.441 41.184 40.800 -0.094 0.000 0.961 279 D HN 0.127 nan 8.370 nan 0.000 0.470 280 V N 0.350 120.209 119.914 -0.092 0.000 2.760 280 V HA 0.311 4.431 4.120 -0.000 0.000 0.309 280 V C -0.771 175.230 176.094 -0.156 0.000 1.077 280 V CA -0.769 61.438 62.300 -0.155 0.000 0.910 280 V CB 3.045 34.686 31.823 -0.305 0.000 1.008 280 V HN -0.297 nan 8.190 nan 0.000 0.424 281 V N 5.634 125.461 119.914 -0.144 0.000 2.407 281 V HA 0.489 4.609 4.120 -0.000 0.000 0.291 281 V C -0.172 175.826 176.094 -0.159 0.000 1.018 281 V CA -0.339 61.848 62.300 -0.187 0.000 0.842 281 V CB 1.607 33.331 31.823 -0.166 0.000 0.996 281 V HN 0.864 nan 8.190 nan 0.000 0.426 282 M N 6.362 125.870 119.600 -0.152 0.000 2.101 282 M HA 0.548 5.028 4.480 -0.000 0.000 0.340 282 M C -1.270 174.931 176.300 -0.164 0.000 1.057 282 M CA -0.601 54.609 55.300 -0.149 0.000 0.984 282 M CB 0.953 33.498 32.600 -0.091 0.000 1.560 282 M HN 0.523 nan 8.290 nan 0.000 0.435 283 L N 5.296 126.397 121.223 -0.203 0.000 2.278 283 L HA 0.475 4.815 4.340 -0.000 0.000 0.287 283 L C 0.310 177.050 176.870 -0.217 0.000 1.072 283 L CA -0.415 54.302 54.840 -0.205 0.000 0.819 283 L CB 0.833 42.728 42.059 -0.273 0.000 1.176 283 L HN 0.842 nan 8.230 nan 0.000 0.435 284 A N 4.853 127.577 122.820 -0.160 0.000 3.214 284 A HA 0.381 4.701 4.320 -0.000 0.000 0.304 284 A C 0.835 178.362 177.584 -0.095 0.000 0.969 284 A CA -0.439 51.505 52.037 -0.155 0.000 0.986 284 A CB -0.157 18.746 19.000 -0.161 0.000 1.073 284 A HN 0.875 nan 8.150 nan 0.000 0.487 285 I N -3.243 117.283 120.570 -0.073 0.000 3.684 285 I HA 0.550 4.720 4.170 -0.000 0.000 0.304 285 I C 0.680 176.803 176.117 0.010 0.000 1.278 285 I CA 0.398 61.691 61.300 -0.012 0.000 1.272 285 I CB 0.247 38.246 38.000 -0.001 0.000 1.029 285 I HN 0.398 nan 8.210 nan 0.000 0.458 286 G N 1.069 109.866 108.800 -0.006 0.000 2.339 286 G HA2 0.262 4.221 3.960 -0.000 0.000 0.302 286 G HA3 0.262 4.221 3.960 -0.000 0.000 0.302 286 G C -1.677 173.243 174.900 0.033 0.000 1.425 286 G CA -1.040 44.078 45.100 0.030 0.000 0.899 286 G HN 0.056 nan 8.290 nan 0.000 0.619 287 R N -0.146 120.392 120.500 0.064 0.000 2.437 287 R HA 0.689 5.028 4.340 -0.000 0.000 0.310 287 R C -0.046 176.322 176.300 0.113 0.000 0.955 287 R CA -0.671 55.480 56.100 0.085 0.000 0.851 287 R CB 1.486 31.845 30.300 0.098 0.000 1.161 287 R HN 1.295 nan 8.270 nan 0.000 0.446 288 V N 0.447 120.449 119.914 0.147 0.000 2.628 288 V HA 0.626 4.746 4.120 -0.000 0.000 0.306 288 V C -2.523 173.658 176.094 0.145 0.000 1.045 288 V CA -3.031 59.350 62.300 0.136 0.000 0.905 288 V CB 2.102 34.006 31.823 0.134 0.000 0.997 288 V HN 0.473 nan 8.190 nan 0.000 0.436 289 P HA 0.141 nan 4.420 nan 0.000 0.261 289 P C -0.482 176.874 177.300 0.092 0.000 1.183 289 P CA 0.220 63.375 63.100 0.093 0.000 0.761 289 P CB 0.194 31.933 31.700 0.064 0.000 0.785 290 R N 3.037 123.595 120.500 0.096 0.000 3.701 290 R HA 0.121 4.460 4.340 -0.000 0.000 0.210 290 R C 0.485 176.799 176.300 0.023 0.000 1.598 290 R CA 0.113 56.252 56.100 0.064 0.000 1.427 290 R CB -0.395 29.952 30.300 0.079 0.000 1.339 290 R HN 0.497 nan 8.270 nan 0.000 0.720 291 S N 0.645 116.358 115.700 0.021 0.000 2.512 291 S HA -0.081 4.388 4.470 -0.000 0.000 0.216 291 S C 1.541 176.141 174.600 0.000 0.000 1.006 291 S CA -0.486 57.720 58.200 0.010 0.000 0.915 291 S CB 0.402 63.611 63.200 0.013 0.000 0.824 291 S HN 0.577 nan 8.310 nan 0.000 0.497 292 Q N 2.349 122.146 119.800 -0.004 0.000 2.364 292 Q HA -0.072 4.268 4.340 -0.000 0.000 0.207 292 Q C 1.604 177.591 176.000 -0.022 0.000 0.970 292 Q CA 1.784 57.579 55.803 -0.013 0.000 0.888 292 Q CB -1.286 27.443 28.738 -0.015 0.000 0.951 292 Q HN 0.707 nan 8.270 nan 0.000 0.469 293 T N -2.560 111.983 114.554 -0.017 0.000 3.069 293 T HA 0.271 4.621 4.350 -0.000 0.000 0.252 293 T C 1.645 176.341 174.700 -0.007 0.000 1.053 293 T CA -0.297 61.790 62.100 -0.021 0.000 0.964 293 T CB -0.186 68.679 68.868 -0.005 0.000 1.005 293 T HN 0.202 nan 8.240 nan 0.000 0.532 294 L N 0.685 121.907 121.223 -0.000 0.000 2.610 294 L HA 0.201 4.541 4.340 -0.000 0.000 0.232 294 L C 1.011 177.876 176.870 -0.008 0.000 1.149 294 L CA 0.249 55.089 54.840 0.001 0.000 0.872 294 L CB -0.831 41.227 42.059 -0.001 0.000 0.992 294 L HN 0.390 nan 8.230 nan 0.000 0.447 295 Q N -0.526 119.266 119.800 -0.014 0.000 2.453 295 Q HA -0.237 4.102 4.340 -0.000 0.000 0.294 295 Q C 1.229 177.221 176.000 -0.014 0.000 1.295 295 Q CA 0.178 55.971 55.803 -0.016 0.000 0.853 295 Q CB -1.837 26.891 28.738 -0.018 0.000 1.193 295 Q HN 0.561 nan 8.270 nan 0.000 0.461 296 L N -0.220 120.995 121.223 -0.013 0.000 2.189 296 L HA -0.253 4.087 4.340 -0.000 0.000 0.214 296 L C 1.883 178.744 176.870 -0.014 0.000 1.097 296 L CA 2.252 57.085 54.840 -0.013 0.000 0.764 296 L CB -0.565 41.488 42.059 -0.011 0.000 0.900 296 L HN 0.517 nan 8.230 nan 0.000 0.436 297 D N 0.402 120.794 120.400 -0.013 0.000 2.178 297 D HA -0.226 4.414 4.640 -0.000 0.000 0.202 297 D C 1.680 177.972 176.300 -0.013 0.000 0.974 297 D CA 1.022 55.014 54.000 -0.013 0.000 0.841 297 D CB -0.228 40.565 40.800 -0.012 0.000 0.953 297 D HN 0.439 nan 8.370 nan 0.000 0.478 298 K N 0.024 120.416 120.400 -0.013 0.000 2.444 298 K HA 0.409 4.729 4.320 -0.000 0.000 0.193 298 K C 1.221 177.813 176.600 -0.013 0.000 1.024 298 K CA 0.360 56.640 56.287 -0.012 0.000 1.077 298 K CB 0.524 33.018 32.500 -0.010 0.000 0.833 298 K HN 0.184 nan 8.250 nan 0.000 0.517 299 A N 1.331 124.140 122.820 -0.018 0.000 2.431 299 A HA 0.405 4.725 4.320 -0.000 0.000 0.239 299 A C 1.234 178.802 177.584 -0.027 0.000 1.230 299 A CA 0.145 52.166 52.037 -0.025 0.000 0.928 299 A CB -0.024 18.957 19.000 -0.031 0.000 1.006 299 A HN 0.430 nan 8.150 nan 0.000 0.520 300 G N -0.544 108.243 108.800 -0.021 0.000 2.198 300 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.257 300 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.257 300 G C 0.015 174.901 174.900 -0.022 0.000 1.042 300 G CA 0.255 45.343 45.100 -0.020 0.000 0.791 300 G HN 0.787 nan 8.290 nan 0.000 0.502 301 V N 0.227 120.129 119.914 -0.021 0.000 2.439 301 V HA 0.365 4.485 4.120 -0.000 0.000 0.282 301 V C 0.709 176.793 176.094 -0.018 0.000 1.039 301 V CA -0.553 61.734 62.300 -0.022 0.000 0.913 301 V CB 1.624 33.434 31.823 -0.022 0.000 0.983 301 V HN 0.441 nan 8.190 nan 0.000 0.460 302 E N 2.917 123.106 120.200 -0.019 0.000 2.290 302 E HA 0.398 4.748 4.350 -0.000 0.000 0.277 302 E C -0.397 176.196 176.600 -0.011 0.000 1.035 302 E CA -0.215 56.176 56.400 -0.014 0.000 0.873 302 E CB 1.446 31.137 29.700 -0.015 0.000 1.029 302 E HN 0.627 nan 8.360 nan 0.000 0.419 303 V N 0.252 120.162 119.914 -0.006 0.000 2.881 303 V HA 0.830 4.950 4.120 -0.000 0.000 0.316 303 V C 0.244 176.338 176.094 -0.000 0.000 1.070 303 V CA -1.073 61.226 62.300 -0.002 0.000 0.976 303 V CB 1.560 33.384 31.823 0.002 0.000 1.038 303 V HN 0.725 nan 8.190 nan 0.000 0.446 304 A N 2.086 124.907 122.820 0.003 0.000 2.310 304 A HA 0.441 4.761 4.320 -0.000 0.000 0.260 304 A C 1.432 179.021 177.584 0.009 0.000 1.112 304 A CA -0.034 52.006 52.037 0.005 0.000 0.804 304 A CB 0.020 19.024 19.000 0.005 0.000 1.081 304 A HN 0.970 nan 8.150 nan 0.000 0.499 305 K N 0.826 121.233 120.400 0.011 0.000 2.001 305 K HA -0.210 4.110 4.320 -0.000 0.000 0.214 305 K C 1.586 178.198 176.600 0.020 0.000 1.050 305 K CA 2.439 58.734 56.287 0.014 0.000 0.934 305 K CB -0.682 31.827 32.500 0.015 0.000 0.718 305 K HN 0.906 nan 8.250 nan 0.000 0.443 306 N N -0.760 117.954 118.700 0.024 0.000 2.459 306 N HA -0.059 4.681 4.740 -0.000 0.000 0.181 306 N C 1.160 176.692 175.510 0.036 0.000 1.046 306 N CA 1.697 54.767 53.050 0.033 0.000 0.904 306 N CB -0.086 38.425 38.487 0.039 0.000 0.964 306 N HN 0.377 nan 8.380 nan 0.000 0.444 307 G N -1.685 107.132 108.800 0.027 0.000 2.260 307 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.179 307 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.179 307 G C 0.127 175.042 174.900 0.025 0.000 1.002 307 G CA 0.017 45.133 45.100 0.027 0.000 0.677 307 G HN 0.707 nan 8.290 nan 0.000 0.486 308 A N 0.585 123.420 122.820 0.024 0.000 2.498 308 A HA 0.595 4.915 4.320 -0.000 0.000 0.239 308 A C 0.634 178.224 177.584 0.009 0.000 1.068 308 A CA 0.275 52.324 52.037 0.019 0.000 0.766 308 A CB 0.086 19.094 19.000 0.013 0.000 1.003 308 A HN 0.752 nan 8.150 nan 0.000 0.497 309 I N 2.845 123.420 120.570 0.007 0.000 2.416 309 I HA 0.085 4.255 4.170 -0.000 0.000 0.288 309 I C 0.418 176.531 176.117 -0.007 0.000 1.051 309 I CA -0.040 61.260 61.300 -0.001 0.000 1.375 309 I CB 0.780 38.780 38.000 0.000 0.000 1.407 309 I HN 0.583 nan 8.210 nan 0.000 0.516 310 K N 6.803 127.196 120.400 -0.012 0.000 2.322 310 K HA 0.462 4.781 4.320 -0.000 0.000 0.283 310 K C -0.584 176.003 176.600 -0.023 0.000 1.042 310 K CA -0.370 55.907 56.287 -0.017 0.000 0.958 310 K CB 1.338 33.829 32.500 -0.016 0.000 0.984 310 K HN 0.496 nan 8.250 nan 0.000 0.473 311 V N -1.118 118.783 119.914 -0.022 0.000 3.049 311 V HA 0.321 4.440 4.120 -0.000 0.000 0.309 311 V C -0.537 175.551 176.094 -0.011 0.000 1.148 311 V CA -1.281 61.007 62.300 -0.020 0.000 0.990 311 V CB 1.871 33.695 31.823 0.001 0.000 1.039 311 V HN 0.828 nan 8.190 nan 0.000 0.430 312 D N 2.842 123.246 120.400 0.007 0.000 2.478 312 D HA 0.519 5.159 4.640 -0.000 0.000 0.274 312 D C 1.440 177.755 176.300 0.025 0.000 1.234 312 D CA 0.105 54.124 54.000 0.032 0.000 1.069 312 D CB 0.912 41.761 40.800 0.081 0.000 1.113 312 D HN 0.883 nan 8.370 nan 0.000 0.571 313 A N -1.076 121.732 122.820 -0.020 0.000 1.997 313 A HA -0.223 4.097 4.320 -0.000 0.000 0.221 313 A C 1.561 178.965 177.584 -0.300 0.000 1.172 313 A CA 1.357 53.274 52.037 -0.200 0.000 0.645 313 A CB -1.175 17.588 19.000 -0.396 0.000 0.813 313 A HN 0.593 nan 8.150 nan 0.000 0.454 314 Y N -0.643 119.723 120.300 0.110 0.000 2.532 314 Y HA 0.269 4.819 4.550 -0.000 0.000 0.283 314 Y C 1.222 177.293 175.900 0.285 0.000 1.181 314 Y CA 0.253 58.462 58.100 0.181 0.000 1.256 314 Y CB -0.039 38.529 38.460 0.179 0.000 1.112 314 Y HN 0.279 nan 8.280 nan 0.000 0.521 315 S N -0.298 115.560 115.700 0.264 0.000 3.382 315 S HA -0.261 4.209 4.470 -0.000 0.000 0.293 315 S C 0.333 175.034 174.600 0.169 0.000 1.262 315 S CA 1.092 59.436 58.200 0.241 0.000 0.969 315 S CB -1.378 62.004 63.200 0.303 0.000 1.136 315 S HN 0.550 nan 8.310 nan 0.000 0.635 316 K N 2.724 123.085 120.400 -0.064 0.000 2.172 316 K HA 0.528 4.848 4.320 -0.000 0.000 0.276 316 K C 0.735 177.172 176.600 -0.271 0.000 1.013 316 K CA 0.205 56.144 56.287 -0.579 0.000 0.913 316 K CB 0.930 33.035 32.500 -0.658 0.000 1.055 316 K HN 0.257 nan 8.250 nan 0.000 0.461 317 T N 0.331 114.725 114.554 -0.266 0.000 2.833 317 T HA 0.064 4.414 4.350 -0.000 0.000 0.312 317 T C 1.184 175.816 174.700 -0.113 0.000 1.085 317 T CA 0.008 62.030 62.100 -0.130 0.000 0.955 317 T CB 0.165 68.981 68.868 -0.086 0.000 1.353 317 T HN 0.735 nan 8.240 nan 0.000 0.544 318 N N -0.433 118.225 118.700 -0.071 0.000 2.494 318 N HA -0.030 4.710 4.740 -0.000 0.000 0.182 318 N C -0.046 175.430 175.510 -0.057 0.000 1.076 318 N CA 0.127 53.144 53.050 -0.055 0.000 0.908 318 N CB -0.261 38.205 38.487 -0.036 0.000 0.967 318 N HN 0.356 nan 8.380 nan 0.000 0.449 319 V N 1.838 121.712 119.914 -0.067 0.000 2.347 319 V HA 0.049 4.169 4.120 -0.000 0.000 0.280 319 V C 0.795 176.846 176.094 -0.071 0.000 1.021 319 V CA -0.572 61.693 62.300 -0.059 0.000 0.847 319 V CB 1.292 33.082 31.823 -0.055 0.000 0.990 319 V HN 0.005 nan 8.190 nan 0.000 0.444 320 D N 3.968 124.339 120.400 -0.048 0.000 2.228 320 D HA -0.181 4.459 4.640 -0.000 0.000 0.203 320 D C 1.480 177.816 176.300 0.060 0.000 0.988 320 D CA 1.864 55.850 54.000 -0.024 0.000 0.864 320 D CB 0.280 41.082 40.800 0.004 0.000 0.928 320 D HN 0.737 nan 8.370 nan 0.000 0.469 321 N N -0.198 118.554 118.700 0.087 0.000 2.200 321 N HA 0.040 4.779 4.740 -0.000 0.000 0.224 321 N C -0.435 175.288 175.510 0.355 0.000 1.179 321 N CA -0.126 53.095 53.050 0.285 0.000 0.877 321 N CB 0.236 38.735 38.487 0.020 0.000 1.072 321 N HN 0.174 nan 8.380 nan 0.000 0.519 322 I N 1.580 122.258 120.570 0.180 0.000 2.362 322 I HA 0.337 4.507 4.170 -0.000 0.000 0.289 322 I C -0.899 175.296 176.117 0.129 0.000 0.994 322 I CA -0.786 60.611 61.300 0.162 0.000 1.158 322 I CB 0.760 38.778 38.000 0.030 0.000 1.315 322 I HN -0.152 nan 8.210 nan 0.000 0.451 323 Y N 4.169 124.472 120.300 0.005 0.000 2.602 323 Y HA 0.811 5.361 4.550 -0.000 0.000 0.330 323 Y C 0.246 176.073 175.900 -0.121 0.000 1.114 323 Y CA -1.009 57.058 58.100 -0.055 0.000 1.182 323 Y CB 1.954 40.337 38.460 -0.129 0.000 1.305 323 Y HN 0.545 nan 8.280 nan 0.000 0.502 324 A N 1.630 124.487 122.820 0.063 0.000 2.455 324 A HA 0.850 5.170 4.320 -0.000 0.000 0.300 324 A C -1.283 176.307 177.584 0.009 0.000 1.040 324 A CA -0.550 51.488 52.037 0.001 0.000 0.697 324 A CB 0.876 19.879 19.000 0.005 0.000 1.265 324 A HN 0.719 nan 8.150 nan 0.000 0.407 325 I N -1.072 119.490 120.570 -0.014 0.000 3.264 325 I HA 0.973 5.142 4.170 -0.000 0.000 0.315 325 I C 0.567 176.703 176.117 0.032 0.000 1.154 325 I CA -0.344 60.968 61.300 0.020 0.000 0.962 325 I CB 1.857 39.862 38.000 0.009 0.000 1.265 325 I HN 1.968 nan 8.210 nan 0.000 0.463 326 G N 2.037 110.872 108.800 0.058 0.000 2.642 326 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.231 326 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.231 326 G C -0.002 174.937 174.900 0.065 0.000 1.338 326 G CA 0.576 45.715 45.100 0.064 0.000 0.883 326 G HN 0.859 nan 8.290 nan 0.000 0.570 327 D N -0.827 119.617 120.400 0.073 0.000 2.203 327 D HA -0.077 4.562 4.640 -0.000 0.000 0.199 327 D C 2.446 178.787 176.300 0.068 0.000 0.997 327 D CA 1.508 55.556 54.000 0.079 0.000 0.863 327 D CB -0.199 40.660 40.800 0.099 0.000 0.928 327 D HN 0.543 nan 8.370 nan 0.000 0.458 328 V N 0.620 120.569 119.914 0.059 0.000 2.913 328 V HA -0.159 3.961 4.120 -0.000 0.000 0.260 328 V C 2.146 178.260 176.094 0.034 0.000 1.098 328 V CA 2.179 64.508 62.300 0.049 0.000 1.121 328 V CB -0.498 31.348 31.823 0.038 0.000 0.714 328 V HN 0.411 nan 8.190 nan 0.000 0.487 329 T N -3.718 110.853 114.554 0.029 0.000 3.081 329 T HA -0.000 4.350 4.350 -0.000 0.000 0.255 329 T C 1.061 175.763 174.700 0.003 0.000 1.113 329 T CA 0.696 62.803 62.100 0.012 0.000 1.082 329 T CB -0.239 68.634 68.868 0.009 0.000 0.939 329 T HN 0.473 nan 8.240 nan 0.000 0.506 330 D N 0.590 121.002 120.400 0.020 0.000 2.746 330 D HA -0.155 4.485 4.640 -0.000 0.000 0.236 330 D C 0.696 176.990 176.300 -0.011 0.000 1.129 330 D CA 0.514 54.526 54.000 0.020 0.000 0.691 330 D CB -1.180 39.634 40.800 0.022 0.000 1.077 330 D HN 0.547 nan 8.370 nan 0.000 0.432 331 R N -1.000 119.481 120.500 -0.030 0.000 1.909 331 R HA 0.449 4.789 4.340 -0.000 0.000 0.181 331 R C 0.379 176.667 176.300 -0.020 0.000 1.604 331 R CA 0.790 56.828 56.100 -0.103 0.000 1.298 331 R CB 0.325 30.467 30.300 -0.263 0.000 0.937 331 R HN 0.049 nan 8.270 nan 0.000 0.490 332 V N 2.186 122.142 119.914 0.071 0.000 2.350 332 V HA 0.259 4.378 4.120 -0.000 0.000 0.285 332 V C -0.186 175.959 176.094 0.084 0.000 1.014 332 V CA -0.278 62.069 62.300 0.079 0.000 0.831 332 V CB 1.569 33.452 31.823 0.101 0.000 1.000 332 V HN 0.401 nan 8.190 nan 0.000 0.433 333 M N 6.659 126.305 119.600 0.077 0.000 3.596 333 M HA 0.348 4.827 4.480 -0.000 0.000 0.212 333 M C -0.770 175.590 176.300 0.099 0.000 1.519 333 M CA 0.611 55.969 55.300 0.097 0.000 1.670 333 M CB -0.606 32.066 32.600 0.118 0.000 1.113 333 M HN 0.450 nan 8.290 nan 0.000 0.565 334 L N -1.034 120.234 121.223 0.075 0.000 2.333 334 L HA 0.439 4.779 4.340 -0.000 0.000 0.263 334 L C 1.280 178.188 176.870 0.063 0.000 1.014 334 L CA -0.554 54.322 54.840 0.059 0.000 0.820 334 L CB 2.157 44.230 42.059 0.022 0.000 1.352 334 L HN 0.173 nan 8.230 nan 0.000 0.421 335 T N 0.655 115.246 114.554 0.062 0.000 2.701 335 T HA -0.046 4.303 4.350 -0.000 0.000 0.263 335 T C -1.154 173.570 174.700 0.040 0.000 1.040 335 T CA 1.654 63.787 62.100 0.054 0.000 1.147 335 T CB -0.510 68.388 68.868 0.050 0.000 0.865 335 T HN 0.453 nan 8.240 nan 0.000 0.426 336 P HA 0.027 nan 4.420 nan 0.000 0.222 336 P C 1.383 178.688 177.300 0.009 0.000 1.147 336 P CA 0.450 63.560 63.100 0.017 0.000 0.790 336 P CB -0.084 31.623 31.700 0.011 0.000 0.780 337 V N 0.253 120.175 119.914 0.013 0.000 2.283 337 V HA -0.211 3.909 4.120 -0.000 0.000 0.243 337 V C 2.475 178.589 176.094 0.033 0.000 1.039 337 V CA 2.119 64.419 62.300 0.002 0.000 1.016 337 V CB -1.668 30.176 31.823 0.035 0.000 0.650 337 V HN 0.091 nan 8.190 nan 0.000 0.449 338 A N 0.045 122.898 122.820 0.055 0.000 1.903 338 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 338 A C 2.209 179.826 177.584 0.056 0.000 1.191 338 A CA 2.372 54.446 52.037 0.062 0.000 0.638 338 A CB -0.693 18.343 19.000 0.060 0.000 0.823 338 A HN 0.497 nan 8.150 nan 0.000 0.451 339 I N -0.247 120.351 120.570 0.046 0.000 2.163 339 I HA -0.287 3.883 4.170 -0.000 0.000 0.243 339 I C 2.569 178.718 176.117 0.054 0.000 1.085 339 I CA 1.541 62.870 61.300 0.049 0.000 1.347 339 I CB -0.384 37.638 38.000 0.036 0.000 1.044 339 I HN 0.473 nan 8.210 nan 0.000 0.408 340 N N 0.946 119.665 118.700 0.032 0.000 2.120 340 N HA -0.223 4.517 4.740 -0.000 0.000 0.188 340 N C 1.701 177.237 175.510 0.044 0.000 1.024 340 N CA 1.627 54.690 53.050 0.021 0.000 0.852 340 N CB 0.002 38.472 38.487 -0.028 0.000 1.003 340 N HN 0.438 nan 8.380 nan 0.000 0.424 341 E N -0.582 119.651 120.200 0.056 0.000 2.150 341 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 341 E C 1.907 178.593 176.600 0.143 0.000 0.985 341 E CA 0.853 57.313 56.400 0.100 0.000 0.814 341 E CB -0.220 29.548 29.700 0.113 0.000 0.752 341 E HN 0.440 nan 8.360 nan 0.000 0.466 342 G N 1.256 110.133 108.800 0.129 0.000 2.404 342 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.215 342 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.215 342 G C 1.693 176.723 174.900 0.217 0.000 1.174 342 G CA 0.750 45.954 45.100 0.173 0.000 0.780 342 G HN 0.336 nan 8.290 nan 0.000 0.537 343 A N 1.129 124.042 122.820 0.154 0.000 1.930 343 A HA 0.314 4.634 4.320 -0.000 0.000 0.217 343 A C 2.786 180.441 177.584 0.118 0.000 1.175 343 A CA 2.123 54.242 52.037 0.137 0.000 0.627 343 A CB -0.709 18.355 19.000 0.105 0.000 0.815 343 A HN 0.739 nan 8.150 nan 0.000 0.443 344 A N -0.890 122.001 122.820 0.118 0.000 1.933 344 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 344 A C 2.030 179.682 177.584 0.113 0.000 1.175 344 A CA 1.596 53.698 52.037 0.108 0.000 0.628 344 A CB -0.723 18.343 19.000 0.110 0.000 0.814 344 A HN 0.817 nan 8.150 nan 0.000 0.444 345 F N 0.485 120.442 119.950 0.011 0.000 2.102 345 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 345 F C 2.096 177.808 175.800 -0.147 0.000 1.105 345 F CA 1.962 59.909 58.000 -0.088 0.000 1.239 345 F CB -0.487 38.450 39.000 -0.105 0.000 0.991 345 F HN 0.006 nan 8.300 nan 0.000 0.474 346 V N 0.819 120.588 119.914 -0.241 0.000 2.515 346 V HA -0.248 3.872 4.120 -0.000 0.000 0.250 346 V C 2.020 177.948 176.094 -0.277 0.000 1.058 346 V CA 2.221 64.348 62.300 -0.290 0.000 1.064 346 V CB -0.668 31.193 31.823 0.063 0.000 0.675 346 V HN 0.333 nan 8.190 nan 0.000 0.461 347 D N -0.470 119.841 120.400 -0.148 0.000 2.144 347 D HA -0.125 4.515 4.640 -0.000 0.000 0.200 347 D C 2.256 178.432 176.300 -0.207 0.000 0.978 347 D CA 1.741 55.664 54.000 -0.128 0.000 0.833 347 D CB -0.261 40.525 40.800 -0.022 0.000 0.961 347 D HN 0.373 nan 8.370 nan 0.000 0.470 348 T N 0.229 114.644 114.554 -0.233 0.000 2.777 348 T HA -0.050 4.300 4.350 -0.000 0.000 0.266 348 T C 2.161 176.609 174.700 -0.420 0.000 1.040 348 T CA 0.630 62.591 62.100 -0.231 0.000 1.141 348 T CB 0.010 68.834 68.868 -0.073 0.000 0.868 348 T HN -0.037 nan 8.240 nan 0.000 0.444 349 V N -0.113 119.332 119.914 -0.781 0.000 2.374 349 V HA 0.120 4.240 4.120 -0.000 0.000 0.241 349 V C 1.628 177.109 176.094 -1.021 0.000 1.034 349 V CA 1.268 62.908 62.300 -1.101 0.000 1.037 349 V CB -0.339 30.335 31.823 -1.915 0.000 0.682 349 V HN 0.403 nan 8.190 nan 0.000 0.463 350 F N -0.233 119.339 119.950 -0.629 0.000 2.721 350 F HA 0.452 4.979 4.527 -0.000 0.000 0.301 350 F C 1.828 177.296 175.800 -0.553 0.000 1.096 350 F CA 0.721 58.400 58.000 -0.535 0.000 1.308 350 F CB -0.088 38.558 39.000 -0.590 0.000 1.086 350 F HN 0.098 nan 8.300 nan 0.000 0.587 351 A N -0.600 122.001 122.820 -0.365 0.000 2.324 351 A HA 0.191 4.511 4.320 -0.000 0.000 0.220 351 A C 0.807 178.317 177.584 -0.123 0.000 1.209 351 A CA 0.011 51.921 52.037 -0.211 0.000 0.918 351 A CB -0.480 18.447 19.000 -0.121 0.000 0.959 351 A HN 0.290 nan 8.150 nan 0.000 0.507 352 N N -0.545 118.053 118.700 -0.171 0.000 2.727 352 N HA -0.159 4.580 4.740 -0.000 0.000 0.249 352 N C -0.131 175.330 175.510 -0.082 0.000 1.048 352 N CA 1.143 54.114 53.050 -0.130 0.000 0.714 352 N CB -0.711 37.719 38.487 -0.095 0.000 0.959 352 N HN 0.467 nan 8.380 nan 0.000 0.544 353 K N 0.707 121.061 120.400 -0.076 0.000 2.484 353 K HA 0.318 4.638 4.320 -0.000 0.000 0.226 353 K C -2.976 173.611 176.600 -0.023 0.000 1.031 353 K CA -1.902 54.366 56.287 -0.031 0.000 1.026 353 K CB 0.923 33.417 32.500 -0.009 0.000 1.412 353 K HN -0.082 nan 8.250 nan 0.000 0.492 354 P HA 0.059 nan 4.420 nan 0.000 0.263 354 P C -0.830 176.570 177.300 0.167 0.000 1.195 354 P CA 0.355 63.473 63.100 0.031 0.000 0.762 354 P CB 0.484 32.126 31.700 -0.097 0.000 0.799 355 R N 2.229 122.871 120.500 0.238 0.000 2.837 355 R HA 0.894 5.233 4.340 -0.000 0.000 0.271 355 R C -1.114 175.312 176.300 0.211 0.000 0.993 355 R CA -1.142 55.078 56.100 0.200 0.000 0.931 355 R CB 2.390 32.751 30.300 0.101 0.000 1.206 355 R HN 0.369 nan 8.270 nan 0.000 0.474 356 A N 0.747 123.572 122.820 0.008 0.000 2.435 356 A HA 0.564 4.884 4.320 -0.000 0.000 0.304 356 A C -0.714 176.822 177.584 -0.080 0.000 1.064 356 A CA -0.674 51.247 52.037 -0.193 0.000 0.727 356 A CB 1.899 20.561 19.000 -0.564 0.000 1.284 356 A HN 0.541 nan 8.150 nan 0.000 0.415 357 T N 1.721 116.246 114.554 -0.049 0.000 2.794 357 T HA 0.249 4.599 4.350 -0.000 0.000 0.296 357 T C -0.338 174.238 174.700 -0.207 0.000 0.949 357 T CA 0.348 62.361 62.100 -0.144 0.000 1.101 357 T CB 0.456 69.180 68.868 -0.241 0.000 0.905 357 T HN 0.600 nan 8.240 nan 0.000 0.516 358 D N 1.815 122.108 120.400 -0.179 0.000 2.346 358 D HA 0.069 4.708 4.640 -0.000 0.000 0.260 358 D C 0.293 176.466 176.300 -0.212 0.000 1.252 358 D CA -0.096 53.838 54.000 -0.110 0.000 0.895 358 D CB 0.423 41.186 40.800 -0.063 0.000 1.097 358 D HN 0.525 nan 8.370 nan 0.000 0.489 359 H N 1.057 120.106 119.070 -0.036 0.000 2.507 359 H HA 0.141 4.697 4.556 -0.000 0.000 0.294 359 H C 1.558 176.854 175.328 -0.053 0.000 1.064 359 H CA 0.341 56.366 56.048 -0.039 0.000 1.138 359 H CB 0.375 30.114 29.762 -0.038 0.000 1.515 359 H HN 0.354 nan 8.280 nan 0.000 0.547 360 T N -2.303 112.260 114.554 0.016 0.000 2.953 360 T HA 0.044 4.394 4.350 -0.000 0.000 0.247 360 T C 1.254 175.923 174.700 -0.053 0.000 1.029 360 T CA 0.184 62.273 62.100 -0.019 0.000 1.144 360 T CB 0.217 69.080 68.868 -0.008 0.000 0.870 360 T HN 0.066 nan 8.240 nan 0.000 0.446 361 K N 1.863 122.239 120.400 -0.040 0.000 3.129 361 K HA 0.461 4.781 4.320 -0.000 0.000 0.224 361 K C -1.049 175.522 176.600 -0.048 0.000 1.249 361 K CA -0.267 55.992 56.287 -0.046 0.000 1.177 361 K CB 0.724 33.212 32.500 -0.020 0.000 1.393 361 K HN 0.174 nan 8.250 nan 0.000 0.459 362 V N 2.079 121.961 119.914 -0.055 0.000 2.439 362 V HA 0.139 4.259 4.120 -0.000 0.000 0.271 362 V C 0.609 176.673 176.094 -0.050 0.000 1.040 362 V CA -0.611 61.660 62.300 -0.048 0.000 1.002 362 V CB 0.701 32.499 31.823 -0.041 0.000 1.000 362 V HN 0.449 nan 8.190 nan 0.000 0.477 363 A N 5.395 128.192 122.820 -0.038 0.000 2.407 363 A HA 0.568 4.888 4.320 -0.000 0.000 0.248 363 A C 0.272 177.838 177.584 -0.031 0.000 1.082 363 A CA 0.031 52.047 52.037 -0.036 0.000 0.785 363 A CB 0.177 19.163 19.000 -0.023 0.000 1.020 363 A HN 1.417 nan 8.150 nan 0.000 0.489 364 C N -0.036 119.247 119.300 -0.029 0.000 2.985 364 C HA 0.905 5.365 4.460 -0.000 0.000 0.314 364 C C -0.036 174.927 174.990 -0.046 0.000 1.215 364 C CA -0.187 58.812 59.018 -0.031 0.000 1.414 364 C CB 0.805 28.520 27.740 -0.042 0.000 1.842 364 C HN 1.663 nan 8.230 nan 0.000 0.477 365 A N 1.873 124.625 122.820 -0.113 0.000 2.340 365 A HA 0.865 5.184 4.320 -0.000 0.000 0.331 365 A C -0.801 176.555 177.584 -0.380 0.000 1.140 365 A CA -0.558 51.288 52.037 -0.318 0.000 0.801 365 A CB 1.196 19.851 19.000 -0.575 0.000 1.234 365 A HN 1.484 nan 8.150 nan 0.000 0.469 366 V N 1.562 121.206 119.914 -0.449 0.000 2.448 366 V HA 0.345 4.464 4.120 -0.000 0.000 0.295 366 V C -1.054 174.781 176.094 -0.431 0.000 1.025 366 V CA -0.076 62.047 62.300 -0.296 0.000 0.859 366 V CB 1.058 32.709 31.823 -0.287 0.000 0.988 366 V HN 0.740 nan 8.190 nan 0.000 0.431 367 F N 3.438 123.374 119.950 -0.023 0.000 2.611 367 F HA 0.314 4.840 4.527 -0.000 0.000 0.321 367 F C 1.263 177.022 175.800 -0.069 0.000 1.208 367 F CA -0.340 57.633 58.000 -0.046 0.000 1.249 367 F CB 0.326 39.302 39.000 -0.040 0.000 1.514 367 F HN 0.535 nan 8.300 nan 0.000 0.561 368 S N 0.014 115.700 115.700 -0.024 0.000 2.707 368 S HA 0.713 5.183 4.470 -0.000 0.000 0.276 368 S C -0.307 174.273 174.600 -0.033 0.000 1.179 368 S CA -0.773 57.401 58.200 -0.044 0.000 0.992 368 S CB 1.732 64.876 63.200 -0.092 0.000 1.030 368 S HN 0.263 nan 8.310 nan 0.000 0.554 369 I N 2.487 123.041 120.570 -0.027 0.000 2.390 369 I HA 0.349 4.519 4.170 -0.000 0.000 0.283 369 I C -2.145 173.969 176.117 -0.005 0.000 1.016 369 I CA -2.184 59.110 61.300 -0.010 0.000 1.151 369 I CB 1.750 39.753 38.000 0.006 0.000 1.293 369 I HN 0.535 nan 8.210 nan 0.000 0.458 370 P HA 0.369 nan 4.420 nan 0.000 0.276 370 P C -2.780 174.468 177.300 -0.086 0.000 1.261 370 P CA -1.443 61.629 63.100 -0.047 0.000 0.800 370 P CB 0.543 32.207 31.700 -0.061 0.000 1.066 371 P HA 0.422 nan 4.420 nan 0.000 0.284 371 P C -0.687 176.482 177.300 -0.219 0.000 1.292 371 P CA -0.430 62.562 63.100 -0.181 0.000 0.800 371 P CB 1.070 32.645 31.700 -0.209 0.000 1.188 372 M N -0.758 118.676 119.600 -0.276 0.000 2.518 372 M HA 0.601 5.081 4.480 -0.000 0.000 0.300 372 M C -0.487 175.683 176.300 -0.217 0.000 1.175 372 M CA -0.259 54.904 55.300 -0.228 0.000 0.890 372 M CB 2.660 35.124 32.600 -0.226 0.000 1.710 372 M HN 0.463 nan 8.290 nan 0.000 0.453 373 G N 2.059 110.780 108.800 -0.132 0.000 2.683 373 G HA2 0.685 4.644 3.960 -0.000 0.000 0.299 373 G HA3 0.685 4.644 3.960 -0.000 0.000 0.299 373 G C -1.833 173.050 174.900 -0.027 0.000 1.432 373 G CA -0.358 44.688 45.100 -0.090 0.000 0.978 373 G HN 0.570 nan 8.290 nan 0.000 0.513 374 V N 0.632 120.549 119.914 0.004 0.000 3.007 374 V HA 0.804 4.923 4.120 -0.000 0.000 0.311 374 V C -0.756 175.298 176.094 -0.067 0.000 1.120 374 V CA -0.682 61.626 62.300 0.013 0.000 0.980 374 V CB 2.251 34.198 31.823 0.205 0.000 1.033 374 V HN 1.020 nan 8.190 nan 0.000 0.429 375 C N 2.724 121.918 119.300 -0.177 0.000 3.094 375 C HA 0.722 5.182 4.460 -0.000 0.000 0.414 375 C C 0.201 175.083 174.990 -0.182 0.000 0.993 375 C CA 0.517 59.451 59.018 -0.141 0.000 1.217 375 C CB 0.268 27.955 27.740 -0.090 0.000 1.603 375 C HN 2.203 nan 8.230 nan 0.000 0.564 376 G N 4.125 112.859 108.800 -0.111 0.000 2.660 376 G HA2 -0.106 3.853 3.960 -0.000 0.000 0.215 376 G HA3 -0.106 3.853 3.960 -0.000 0.000 0.215 376 G C -0.910 174.002 174.900 0.019 0.000 1.345 376 G CA -0.186 44.877 45.100 -0.061 0.000 0.877 376 G HN 1.190 nan 8.290 nan 0.000 0.549 377 Y N -0.796 119.534 120.300 0.049 0.000 2.497 377 Y HA 0.373 4.923 4.550 -0.000 0.000 0.334 377 Y C 1.484 177.500 175.900 0.193 0.000 1.199 377 Y CA 0.288 58.440 58.100 0.087 0.000 1.425 377 Y CB 0.949 39.438 38.460 0.049 0.000 1.291 377 Y HN 0.436 nan 8.280 nan 0.000 0.562 378 V N 4.851 124.915 119.914 0.250 0.000 2.649 378 V HA -0.034 4.085 4.120 -0.000 0.000 0.292 378 V C 1.194 177.315 176.094 0.046 0.000 1.055 378 V CA -0.170 62.137 62.300 0.011 0.000 1.023 378 V CB 1.275 33.069 31.823 -0.047 0.000 0.992 378 V HN 1.007 nan 8.190 nan 0.000 0.480 379 E N 3.057 123.238 120.200 -0.031 0.000 2.130 379 E HA -0.308 4.042 4.350 -0.000 0.000 0.196 379 E C 1.282 177.703 176.600 -0.299 0.000 0.998 379 E CA 1.975 58.306 56.400 -0.114 0.000 0.806 379 E CB -0.009 29.688 29.700 -0.005 0.000 0.738 379 E HN 0.817 nan 8.360 nan 0.000 0.459 380 E N 1.164 121.250 120.200 -0.191 0.000 2.110 380 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 380 E C 1.717 178.250 176.600 -0.111 0.000 0.988 380 E CA 1.540 57.826 56.400 -0.190 0.000 0.804 380 E CB -0.089 29.579 29.700 -0.054 0.000 0.745 380 E HN 0.394 nan 8.360 nan 0.000 0.458 381 D N -0.212 120.190 120.400 0.003 0.000 2.137 381 D HA 0.008 4.648 4.640 -0.000 0.000 0.202 381 D C 1.855 178.208 176.300 0.088 0.000 0.970 381 D CA 1.270 55.340 54.000 0.116 0.000 0.837 381 D CB -0.288 40.667 40.800 0.258 0.000 0.981 381 D HN 0.179 nan 8.370 nan 0.000 0.475 382 A N 1.280 124.096 122.820 -0.007 0.000 1.933 382 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 382 A C 2.272 179.807 177.584 -0.082 0.000 1.175 382 A CA 2.091 53.968 52.037 -0.266 0.000 0.628 382 A CB -0.615 18.192 19.000 -0.321 0.000 0.814 382 A HN 0.229 nan 8.150 nan 0.000 0.444 383 A N -0.402 122.311 122.820 -0.179 0.000 2.067 383 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 383 A C 2.013 179.571 177.584 -0.043 0.000 1.158 383 A CA 1.544 53.492 52.037 -0.148 0.000 0.661 383 A CB -0.329 18.378 19.000 -0.488 0.000 0.801 383 A HN 0.579 nan 8.150 nan 0.000 0.452 384 K N -0.153 120.223 120.400 -0.041 0.000 2.155 384 K HA -0.068 4.251 4.320 -0.000 0.000 0.203 384 K C 1.547 178.128 176.600 -0.032 0.000 1.052 384 K CA 1.172 57.452 56.287 -0.012 0.000 0.948 384 K CB -0.005 32.498 32.500 0.006 0.000 0.728 384 K HN 0.291 nan 8.250 nan 0.000 0.448 385 K N -0.035 120.331 120.400 -0.057 0.000 2.211 385 K HA 0.048 4.368 4.320 -0.000 0.000 0.201 385 K C 0.373 176.734 176.600 -0.398 0.000 1.052 385 K CA 0.890 57.032 56.287 -0.242 0.000 0.973 385 K CB 0.115 32.375 32.500 -0.400 0.000 0.766 385 K HN 0.084 nan 8.250 nan 0.000 0.466 386 Y N 1.120 121.368 120.300 -0.086 0.000 2.509 386 Y HA 0.153 4.703 4.550 -0.000 0.000 0.341 386 Y C 0.407 176.308 175.900 0.000 0.000 1.038 386 Y CA -1.723 56.350 58.100 -0.044 0.000 1.089 386 Y CB 1.251 39.674 38.460 -0.061 0.000 1.241 386 Y HN 0.047 nan 8.280 nan 0.000 0.468 387 D N -1.502 118.986 120.400 0.147 0.000 2.368 387 D HA 0.096 4.736 4.640 -0.000 0.000 0.218 387 D C -0.378 176.016 176.300 0.156 0.000 1.112 387 D CA 0.041 54.117 54.000 0.127 0.000 0.834 387 D CB 0.250 41.096 40.800 0.077 0.000 0.953 387 D HN 0.453 nan 8.370 nan 0.000 0.505 388 Q N 0.854 120.770 119.800 0.194 0.000 2.616 388 Q HA 0.351 4.691 4.340 -0.000 0.000 0.250 388 Q C -1.439 174.722 176.000 0.268 0.000 0.991 388 Q CA -0.528 55.411 55.803 0.228 0.000 0.707 388 Q CB 2.334 31.210 28.738 0.230 0.000 1.247 388 Q HN 0.075 nan 8.270 nan 0.000 0.491 389 V N 1.296 121.371 119.914 0.268 0.000 2.539 389 V HA 0.732 4.852 4.120 -0.000 0.000 0.292 389 V C -0.153 176.066 176.094 0.208 0.000 1.045 389 V CA -0.496 61.924 62.300 0.200 0.000 0.945 389 V CB 1.618 33.537 31.823 0.160 0.000 0.993 389 V HN 0.700 nan 8.190 nan 0.000 0.464 390 A N 4.566 127.415 122.820 0.047 0.000 2.331 390 A HA 0.818 5.138 4.320 -0.000 0.000 0.320 390 A C -0.884 176.450 177.584 -0.416 0.000 1.138 390 A CA -0.511 51.297 52.037 -0.383 0.000 0.790 390 A CB 1.508 20.241 19.000 -0.445 0.000 1.206 390 A HN 0.614 nan 8.150 nan 0.000 0.470 391 V N 3.132 122.606 119.914 -0.733 0.000 2.417 391 V HA 0.422 4.542 4.120 -0.000 0.000 0.291 391 V C -1.077 174.571 176.094 -0.744 0.000 1.024 391 V CA -0.319 61.617 62.300 -0.605 0.000 0.861 391 V CB 0.846 32.140 31.823 -0.880 0.000 0.985 391 V HN 0.771 nan 8.190 nan 0.000 0.436 392 Y N 2.881 123.009 120.300 -0.285 0.000 2.457 392 Y HA 0.730 5.280 4.550 -0.000 0.000 0.333 392 Y C 0.395 176.241 175.900 -0.089 0.000 1.119 392 Y CA -1.120 56.878 58.100 -0.170 0.000 1.143 392 Y CB 1.615 40.025 38.460 -0.084 0.000 1.230 392 Y HN 0.784 nan 8.280 nan 0.000 0.469 393 E N -0.472 119.791 120.200 0.106 0.000 2.388 393 E HA 0.781 5.131 4.350 -0.000 0.000 0.280 393 E C -1.789 174.898 176.600 0.146 0.000 1.019 393 E CA -1.024 55.449 56.400 0.122 0.000 0.806 393 E CB 1.951 31.705 29.700 0.091 0.000 1.246 393 E HN 0.386 nan 8.360 nan 0.000 0.443 394 S N 0.484 116.294 115.700 0.183 0.000 2.569 394 S HA 0.818 5.287 4.470 -0.000 0.000 0.280 394 S C -1.392 173.357 174.600 0.249 0.000 1.111 394 S CA -0.638 57.703 58.200 0.235 0.000 0.887 394 S CB 1.813 65.206 63.200 0.321 0.000 1.095 394 S HN 0.719 nan 8.310 nan 0.000 0.476 395 S N 1.274 117.137 115.700 0.272 0.000 2.541 395 S HA 0.901 5.371 4.470 -0.000 0.000 0.271 395 S C -1.231 173.574 174.600 0.342 0.000 1.133 395 S CA -0.978 57.344 58.200 0.203 0.000 0.876 395 S CB 1.149 64.395 63.200 0.078 0.000 1.105 395 S HN 0.823 nan 8.310 nan 0.000 0.470 396 F N -1.921 118.116 119.950 0.146 0.000 2.654 396 F HA 0.772 5.299 4.527 -0.000 0.000 0.308 396 F C -0.892 174.985 175.800 0.129 0.000 1.108 396 F CA -0.948 57.123 58.000 0.118 0.000 0.957 396 F CB 0.975 40.040 39.000 0.108 0.000 1.309 396 F HN 0.453 nan 8.300 nan 0.000 0.446 397 T N 2.963 117.656 114.554 0.231 0.000 2.744 397 T HA 0.458 4.808 4.350 -0.000 0.000 0.291 397 T C -2.642 172.232 174.700 0.290 0.000 0.957 397 T CA -1.105 61.081 62.100 0.143 0.000 1.002 397 T CB 0.961 69.894 68.868 0.109 0.000 0.919 397 T HN 0.328 nan 8.240 nan 0.000 0.468 398 P HA 0.133 nan 4.420 nan 0.000 0.264 398 P C 1.128 178.536 177.300 0.181 0.000 1.193 398 P CA -0.224 63.062 63.100 0.311 0.000 0.763 398 P CB 0.541 32.395 31.700 0.256 0.000 0.810 399 L N 2.701 124.001 121.223 0.128 0.000 2.051 399 L HA -0.261 4.079 4.340 -0.000 0.000 0.214 399 L C 2.271 179.173 176.870 0.055 0.000 1.076 399 L CA 1.684 56.571 54.840 0.078 0.000 0.758 399 L CB -0.335 41.756 42.059 0.054 0.000 0.890 399 L HN 0.547 nan 8.230 nan 0.000 0.433 400 M N -0.935 118.682 119.600 0.029 0.000 2.103 400 M HA -0.331 4.149 4.480 -0.000 0.000 0.255 400 M C 2.009 178.275 176.300 -0.057 0.000 1.074 400 M CA 1.966 57.284 55.300 0.029 0.000 1.090 400 M CB -0.515 31.983 32.600 -0.170 0.000 1.325 400 M HN 0.354 nan 8.290 nan 0.000 0.403 401 H N -0.060 119.066 119.070 0.093 0.000 2.559 401 H HA 0.046 4.602 4.556 -0.000 0.000 0.273 401 H C 1.468 176.797 175.328 0.001 0.000 1.000 401 H CA 1.034 57.098 56.048 0.027 0.000 1.195 401 H CB -0.661 29.082 29.762 -0.032 0.000 1.368 401 H HN 0.659 nan 8.280 nan 0.000 0.592 402 N N 0.211 118.965 118.700 0.091 0.000 2.135 402 N HA -0.064 4.676 4.740 -0.000 0.000 0.186 402 N C 1.679 177.179 175.510 -0.017 0.000 1.027 402 N CA 0.695 53.768 53.050 0.038 0.000 0.849 402 N CB 0.207 38.700 38.487 0.010 0.000 1.002 402 N HN 0.208 nan 8.380 nan 0.000 0.425 403 I N 0.499 121.020 120.570 -0.082 0.000 2.500 403 I HA -0.150 4.020 4.170 -0.000 0.000 0.252 403 I C 2.295 178.272 176.117 -0.232 0.000 1.142 403 I CA 0.694 61.844 61.300 -0.251 0.000 1.451 403 I CB -0.191 37.498 38.000 -0.519 0.000 1.093 403 I HN 0.187 nan 8.210 nan 0.000 0.430 404 S N 0.198 115.870 115.700 -0.047 0.000 2.436 404 S HA 0.116 4.586 4.470 -0.000 0.000 0.228 404 S C 1.797 176.445 174.600 0.079 0.000 1.014 404 S CA 0.707 58.957 58.200 0.083 0.000 0.950 404 S CB 0.308 63.676 63.200 0.280 0.000 0.784 404 S HN 0.570 nan 8.310 nan 0.000 0.504 405 G N 0.524 109.365 108.800 0.068 0.000 2.218 405 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 405 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 405 G C 0.455 175.391 174.900 0.060 0.000 0.994 405 G CA 0.056 45.192 45.100 0.061 0.000 0.637 405 G HN 0.647 nan 8.290 nan 0.000 0.505 406 S N 2.168 117.876 115.700 0.014 0.000 3.324 406 S HA 0.336 4.806 4.470 -0.000 0.000 0.229 406 S C 1.721 176.047 174.600 -0.455 0.000 1.417 406 S CA 0.810 58.830 58.200 -0.299 0.000 1.211 406 S CB 0.235 63.165 63.200 -0.449 0.000 1.157 406 S HN 0.988 nan 8.310 nan 0.000 0.491 407 T N -1.013 113.463 114.554 -0.129 0.000 3.155 407 T HA -0.153 4.197 4.350 -0.000 0.000 0.264 407 T C 1.403 176.067 174.700 -0.061 0.000 1.160 407 T CA 0.581 62.648 62.100 -0.054 0.000 1.075 407 T CB -0.776 68.116 68.868 0.039 0.000 0.921 407 T HN 0.710 nan 8.240 nan 0.000 0.533 408 Y N 0.629 120.901 120.300 -0.046 0.000 2.544 408 Y HA 0.426 4.975 4.550 -0.000 0.000 0.286 408 Y C 0.915 176.758 175.900 -0.094 0.000 1.141 408 Y CA -1.040 57.026 58.100 -0.056 0.000 1.299 408 Y CB -0.347 38.081 38.460 -0.054 0.000 1.030 408 Y HN 0.050 nan 8.280 nan 0.000 0.543 409 K N 3.098 123.154 120.400 -0.573 0.000 2.083 409 K HA 0.081 4.401 4.320 -0.000 0.000 0.246 409 K C -0.381 176.089 176.600 -0.218 0.000 1.160 409 K CA -0.011 56.002 56.287 -0.456 0.000 1.060 409 K CB 0.119 32.104 32.500 -0.857 0.000 1.417 409 K HN 0.132 nan 8.250 nan 0.000 0.329 410 K N 2.250 122.574 120.400 -0.126 0.000 2.297 410 K HA 0.127 4.446 4.320 -0.000 0.000 0.286 410 K C -0.123 176.360 176.600 -0.196 0.000 1.053 410 K CA -0.349 55.865 56.287 -0.122 0.000 0.940 410 K CB 0.477 32.934 32.500 -0.072 0.000 1.019 410 K HN 0.255 nan 8.250 nan 0.000 0.475 411 F N 3.314 122.942 119.950 -0.536 0.000 2.396 411 F HA 0.326 4.853 4.527 -0.000 0.000 0.343 411 F C 0.059 175.558 175.800 -0.502 0.000 1.104 411 F CA -0.464 57.175 58.000 -0.602 0.000 1.161 411 F CB 0.884 39.270 39.000 -1.023 0.000 1.146 411 F HN 0.461 nan 8.300 nan 0.000 0.522 412 M N 8.532 127.782 119.600 -0.584 0.000 2.326 412 M HA 0.605 5.085 4.480 -0.000 0.000 0.292 412 M C -2.249 173.963 176.300 -0.147 0.000 1.081 412 M CA -0.686 54.489 55.300 -0.208 0.000 0.919 412 M CB 1.742 34.244 32.600 -0.163 0.000 1.634 412 M HN 0.520 nan 8.290 nan 0.000 0.451 413 V N 5.309 125.286 119.914 0.104 0.000 2.789 413 V HA 0.788 4.908 4.120 -0.000 0.000 0.311 413 V C -1.702 174.483 176.094 0.151 0.000 1.073 413 V CA -0.427 61.956 62.300 0.138 0.000 0.921 413 V CB 2.392 34.389 31.823 0.291 0.000 1.009 413 V HN 1.010 nan 8.190 nan 0.000 0.426 414 R N 6.267 126.857 120.500 0.150 0.000 2.533 414 R HA 0.605 4.945 4.340 -0.000 0.000 0.288 414 R C -1.574 174.836 176.300 0.182 0.000 1.039 414 R CA -0.520 55.676 56.100 0.160 0.000 0.909 414 R CB 2.184 32.574 30.300 0.149 0.000 1.195 414 R HN 0.757 nan 8.270 nan 0.000 0.438 415 I N 2.443 123.102 120.570 0.150 0.000 2.433 415 I HA 0.367 4.537 4.170 -0.000 0.000 0.292 415 I C -0.227 175.969 176.117 0.133 0.000 1.001 415 I CA -1.171 60.175 61.300 0.076 0.000 1.119 415 I CB 2.323 40.271 38.000 -0.087 0.000 1.289 415 I HN 0.151 nan 8.210 nan 0.000 0.438 416 V N 4.755 124.719 119.914 0.083 0.000 2.417 416 V HA 0.598 4.717 4.120 -0.000 0.000 0.291 416 V C 0.155 176.240 176.094 -0.015 0.000 1.024 416 V CA -0.345 61.992 62.300 0.061 0.000 0.861 416 V CB 1.691 33.572 31.823 0.097 0.000 0.985 416 V HN 0.901 nan 8.190 nan 0.000 0.436 417 T N 0.556 115.113 114.554 0.004 0.000 2.901 417 T HA 0.472 4.822 4.350 -0.000 0.000 0.293 417 T C -0.589 174.057 174.700 -0.090 0.000 1.084 417 T CA -0.886 61.183 62.100 -0.052 0.000 1.008 417 T CB 1.887 70.781 68.868 0.044 0.000 1.170 417 T HN 0.459 nan 8.240 nan 0.000 0.509 418 N N 0.287 118.875 118.700 -0.186 0.000 2.408 418 N HA 0.120 4.860 4.740 -0.000 0.000 0.257 418 N C 0.821 176.358 175.510 0.045 0.000 1.064 418 N CA -0.245 52.705 53.050 -0.167 0.000 0.952 418 N CB 0.309 38.612 38.487 -0.306 0.000 1.093 418 N HN 0.887 nan 8.380 nan 0.000 0.490 419 H N 3.307 122.406 119.070 0.048 0.000 2.462 419 H HA -0.049 4.507 4.556 -0.000 0.000 0.292 419 H C 1.300 176.683 175.328 0.092 0.000 1.049 419 H CA 1.146 57.269 56.048 0.126 0.000 1.334 419 H CB 0.566 30.461 29.762 0.223 0.000 1.404 419 H HN 0.715 nan 8.280 nan 0.000 0.544 420 A N 1.473 124.301 122.820 0.014 0.000 1.851 420 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 420 A C 1.932 179.477 177.584 -0.065 0.000 1.195 420 A CA 2.034 54.042 52.037 -0.049 0.000 0.622 420 A CB -0.392 18.627 19.000 0.032 0.000 0.831 420 A HN 0.694 nan 8.150 nan 0.000 0.444 421 D N -3.315 117.069 120.400 -0.027 0.000 2.389 421 D HA 0.305 4.945 4.640 -0.000 0.000 0.206 421 D C 1.173 177.453 176.300 -0.032 0.000 1.055 421 D CA 0.994 54.978 54.000 -0.027 0.000 0.856 421 D CB -0.455 40.340 40.800 -0.008 0.000 0.957 421 D HN 0.979 nan 8.370 nan 0.000 0.509 422 G N 0.554 109.339 108.800 -0.025 0.000 2.143 422 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.249 422 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.249 422 G C -0.040 174.816 174.900 -0.074 0.000 0.981 422 G CA 0.151 45.241 45.100 -0.017 0.000 0.665 422 G HN 0.520 nan 8.290 nan 0.000 0.528 423 E N 0.146 120.297 120.200 -0.082 0.000 2.392 423 E HA 0.345 4.695 4.350 -0.000 0.000 0.264 423 E C 0.240 176.746 176.600 -0.158 0.000 1.024 423 E CA -0.283 56.054 56.400 -0.104 0.000 0.903 423 E CB 0.765 30.417 29.700 -0.080 0.000 0.963 423 E HN 0.126 nan 8.360 nan 0.000 0.432 424 V N 6.832 126.636 119.914 -0.184 0.000 2.385 424 V HA 0.047 4.167 4.120 -0.000 0.000 0.269 424 V C 1.083 177.094 176.094 -0.139 0.000 1.043 424 V CA -0.036 62.120 62.300 -0.240 0.000 0.906 424 V CB 0.979 32.542 31.823 -0.434 0.000 0.995 424 V HN 0.672 nan 8.190 nan 0.000 0.467 425 L N 4.091 125.239 121.223 -0.125 0.000 2.416 425 L HA 0.499 4.839 4.340 -0.000 0.000 0.216 425 L C 1.044 177.975 176.870 0.101 0.000 1.098 425 L CA 0.599 55.429 54.840 -0.016 0.000 0.840 425 L CB -0.018 41.939 42.059 -0.170 0.000 0.981 425 L HN 0.762 nan 8.230 nan 0.000 0.462 426 G N -0.321 108.488 108.800 0.015 0.000 2.716 426 G HA2 0.498 4.458 3.960 -0.000 0.000 0.299 426 G HA3 0.498 4.458 3.960 -0.000 0.000 0.299 426 G C -1.834 172.954 174.900 -0.187 0.000 1.450 426 G CA -0.341 44.733 45.100 -0.043 0.000 0.968 426 G HN -0.279 nan 8.290 nan 0.000 0.566 427 V N 3.359 123.046 119.914 -0.377 0.000 2.487 427 V HA 0.585 4.705 4.120 -0.000 0.000 0.298 427 V C -0.849 174.951 176.094 -0.490 0.000 1.028 427 V CA -0.836 61.312 62.300 -0.252 0.000 0.860 427 V CB 1.641 33.443 31.823 -0.034 0.000 0.991 427 V HN 0.779 nan 8.190 nan 0.000 0.427 428 H N 5.851 124.949 119.070 0.047 0.000 2.727 428 H HA 0.614 5.169 4.556 -0.000 0.000 0.330 428 H C -0.872 174.454 175.328 -0.004 0.000 0.986 428 H CA -0.456 55.610 56.048 0.031 0.000 1.251 428 H CB 1.882 31.669 29.762 0.041 0.000 1.493 428 H HN 0.532 nan 8.280 nan 0.000 0.515 429 M N 3.400 123.011 119.600 0.019 0.000 2.465 429 M HA 0.345 4.825 4.480 -0.000 0.000 0.316 429 M C -0.948 175.204 176.300 -0.248 0.000 1.121 429 M CA -1.027 54.191 55.300 -0.136 0.000 0.934 429 M CB 3.038 35.556 32.600 -0.135 0.000 1.692 429 M HN 0.254 nan 8.290 nan 0.000 0.444 430 L N 2.069 123.034 121.223 -0.431 0.000 2.362 430 L HA 1.021 5.361 4.340 -0.000 0.000 0.275 430 L C -0.311 176.132 176.870 -0.712 0.000 0.998 430 L CA 0.487 55.077 54.840 -0.417 0.000 0.820 430 L CB 1.926 43.819 42.059 -0.278 0.000 1.270 430 L HN 0.880 nan 8.230 nan 0.000 0.415 431 G N 2.829 111.364 108.800 -0.442 0.000 2.326 431 G HA2 0.026 3.986 3.960 -0.000 0.000 0.413 431 G HA3 0.026 3.986 3.960 -0.000 0.000 0.413 431 G C -1.669 173.242 174.900 0.018 0.000 1.444 431 G CA -0.883 44.074 45.100 -0.239 0.000 1.002 431 G HN 0.658 nan 8.290 nan 0.000 0.649 432 D N 0.157 120.643 120.400 0.143 0.000 2.449 432 D HA 0.341 4.981 4.640 -0.000 0.000 0.236 432 D C 1.302 177.717 176.300 0.192 0.000 1.149 432 D CA 1.582 55.658 54.000 0.128 0.000 0.878 432 D CB 0.868 41.740 40.800 0.120 0.000 1.198 432 D HN 0.965 nan 8.370 nan 0.000 0.446 433 S N -0.445 115.324 115.700 0.114 0.000 2.981 433 S HA -0.283 4.187 4.470 -0.000 0.000 0.274 433 S C 1.709 176.382 174.600 0.121 0.000 1.297 433 S CA 1.369 59.634 58.200 0.108 0.000 1.266 433 S CB -1.350 61.911 63.200 0.102 0.000 1.542 433 S HN 0.661 nan 8.310 nan 0.000 0.674 434 S N 1.524 117.295 115.700 0.119 0.000 2.399 434 S HA -0.034 4.436 4.470 -0.000 0.000 0.231 434 S C -0.587 174.007 174.600 -0.011 0.000 1.022 434 S CA 1.305 59.546 58.200 0.070 0.000 0.983 434 S CB -1.556 61.610 63.200 -0.057 0.000 0.803 434 S HN 0.468 nan 8.310 nan 0.000 0.480 435 P HA -0.124 nan 4.420 nan 0.000 0.216 435 P C 1.581 178.896 177.300 0.025 0.000 1.154 435 P CA 1.450 64.506 63.100 -0.073 0.000 0.865 435 P CB -0.048 31.585 31.700 -0.111 0.000 0.789 436 E N -0.903 119.327 120.200 0.050 0.000 2.051 436 E HA -0.036 4.313 4.350 -0.000 0.000 0.189 436 E C 2.168 178.789 176.600 0.036 0.000 0.979 436 E CA 0.865 57.295 56.400 0.050 0.000 0.803 436 E CB -0.681 29.049 29.700 0.051 0.000 0.761 436 E HN 0.320 nan 8.360 nan 0.000 0.451 437 I N 0.811 121.410 120.570 0.048 0.000 2.286 437 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 437 I C 2.442 178.578 176.117 0.031 0.000 1.115 437 I CA 0.621 61.949 61.300 0.047 0.000 1.392 437 I CB -0.135 37.925 38.000 0.100 0.000 1.065 437 I HN 0.026 nan 8.210 nan 0.000 0.418 438 I N 0.701 121.287 120.570 0.027 0.000 2.546 438 I HA -0.262 3.908 4.170 -0.000 0.000 0.255 438 I C 2.437 178.556 176.117 0.004 0.000 1.163 438 I CA 1.287 62.594 61.300 0.012 0.000 1.457 438 I CB -0.285 37.711 38.000 -0.008 0.000 1.092 438 I HN 0.187 nan 8.210 nan 0.000 0.434 439 Q N 0.600 120.404 119.800 0.007 0.000 2.030 439 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 439 Q C 2.229 178.226 176.000 -0.004 0.000 0.986 439 Q CA 2.825 58.631 55.803 0.005 0.000 0.843 439 Q CB -0.516 28.230 28.738 0.013 0.000 0.904 439 Q HN 0.588 nan 8.270 nan 0.000 0.420 440 S N -0.949 114.745 115.700 -0.010 0.000 2.428 440 S HA -0.045 4.425 4.470 -0.000 0.000 0.230 440 S C 1.985 176.564 174.600 -0.035 0.000 1.014 440 S CA 0.883 59.068 58.200 -0.026 0.000 0.957 440 S CB -0.308 62.871 63.200 -0.036 0.000 0.784 440 S HN 0.216 nan 8.310 nan 0.000 0.499 441 V N 2.190 122.091 119.914 -0.021 0.000 2.515 441 V HA -0.120 4.000 4.120 -0.000 0.000 0.250 441 V C 2.842 178.954 176.094 0.029 0.000 1.058 441 V CA 1.547 63.847 62.300 0.001 0.000 1.064 441 V CB -1.254 30.595 31.823 0.044 0.000 0.675 441 V HN 0.601 nan 8.190 nan 0.000 0.461 442 A N 0.014 122.840 122.820 0.010 0.000 1.930 442 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 442 A C 2.155 179.744 177.584 0.009 0.000 1.175 442 A CA 1.581 53.622 52.037 0.007 0.000 0.627 442 A CB -0.460 18.536 19.000 -0.006 0.000 0.815 442 A HN 0.507 nan 8.150 nan 0.000 0.443 443 I N -0.475 120.095 120.570 -0.000 0.000 2.127 443 I HA -0.362 3.808 4.170 -0.000 0.000 0.241 443 I C 2.546 178.666 176.117 0.006 0.000 1.075 443 I CA 1.322 62.620 61.300 -0.003 0.000 1.334 443 I CB -0.734 37.257 38.000 -0.014 0.000 1.040 443 I HN 0.373 nan 8.210 nan 0.000 0.405 444 C N 0.457 119.761 119.300 0.007 0.000 2.398 444 C HA -0.191 4.269 4.460 -0.000 0.000 0.276 444 C C 2.727 177.762 174.990 0.076 0.000 1.222 444 C CA 0.628 59.669 59.018 0.038 0.000 1.746 444 C CB -1.041 26.731 27.740 0.053 0.000 2.039 444 C HN 0.447 nan 8.230 nan 0.000 0.470 445 L N 0.690 121.961 121.223 0.080 0.000 2.141 445 L HA -0.057 4.282 4.340 -0.000 0.000 0.209 445 L C 2.412 179.304 176.870 0.038 0.000 1.094 445 L CA 1.700 56.579 54.840 0.065 0.000 0.763 445 L CB -0.712 41.377 42.059 0.051 0.000 0.908 445 L HN 0.262 nan 8.230 nan 0.000 0.437 446 K N -0.468 119.947 120.400 0.025 0.000 2.026 446 K HA -0.101 4.219 4.320 -0.000 0.000 0.208 446 K C 1.864 178.476 176.600 0.021 0.000 1.048 446 K CA 1.470 57.767 56.287 0.017 0.000 0.929 446 K CB -0.162 32.342 32.500 0.007 0.000 0.713 446 K HN 0.169 nan 8.250 nan 0.000 0.439 447 M N -0.346 119.267 119.600 0.021 0.000 2.748 447 M HA 0.066 4.546 4.480 -0.000 0.000 0.241 447 M C 0.619 176.933 176.300 0.024 0.000 1.080 447 M CA 0.988 56.299 55.300 0.019 0.000 1.068 447 M CB 0.016 32.624 32.600 0.014 0.000 1.536 447 M HN 0.481 nan 8.290 nan 0.000 0.540 448 G N 0.845 109.663 108.800 0.030 0.000 2.149 448 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.235 448 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.235 448 G C 0.128 175.043 174.900 0.025 0.000 1.018 448 G CA -0.058 45.057 45.100 0.025 0.000 0.728 448 G HN 0.749 nan 8.290 nan 0.000 0.508 449 A N 0.078 122.932 122.820 0.056 0.000 2.540 449 A HA 0.495 4.815 4.320 -0.000 0.000 0.239 449 A C 0.899 178.484 177.584 0.001 0.000 1.061 449 A CA 0.617 52.707 52.037 0.090 0.000 0.758 449 A CB 0.370 19.545 19.000 0.292 0.000 0.991 449 A HN 0.461 nan 8.150 nan 0.000 0.502 450 K N 2.159 122.541 120.400 -0.030 0.000 2.106 450 K HA 0.293 4.613 4.320 -0.000 0.000 0.246 450 K C 0.872 177.348 176.600 -0.208 0.000 0.987 450 K CA -0.789 55.428 56.287 -0.115 0.000 0.904 450 K CB 1.162 33.609 32.500 -0.088 0.000 1.071 450 K HN 0.552 nan 8.250 nan 0.000 0.453 451 I N 2.002 122.382 120.570 -0.317 0.000 2.335 451 I HA -0.324 3.846 4.170 -0.000 0.000 0.251 451 I C 2.065 177.906 176.117 -0.459 0.000 1.129 451 I CA 1.836 62.878 61.300 -0.430 0.000 1.402 451 I CB -0.176 37.593 38.000 -0.386 0.000 1.069 451 I HN 0.743 nan 8.210 nan 0.000 0.424 452 S N -0.833 114.548 115.700 -0.532 0.000 2.474 452 S HA -0.139 4.331 4.470 -0.000 0.000 0.235 452 S C 1.670 175.918 174.600 -0.588 0.000 0.997 452 S CA 1.033 58.616 58.200 -1.028 0.000 0.949 452 S CB -0.621 62.273 63.200 -0.509 0.000 0.766 452 S HN 0.506 nan 8.310 nan 0.000 0.517 453 D N 0.773 121.043 120.400 -0.217 0.000 2.183 453 D HA 0.023 4.663 4.640 -0.000 0.000 0.203 453 D C 1.313 177.633 176.300 0.033 0.000 0.969 453 D CA 0.807 54.779 54.000 -0.047 0.000 0.842 453 D CB -0.225 40.612 40.800 0.061 0.000 0.957 453 D HN 0.383 nan 8.370 nan 0.000 0.484 454 F N 1.005 120.819 119.950 -0.226 0.000 2.084 454 F HA -0.159 4.368 4.527 -0.000 0.000 0.296 454 F C 2.217 177.975 175.800 -0.069 0.000 1.111 454 F CA 0.680 58.603 58.000 -0.128 0.000 1.224 454 F CB -1.284 37.646 39.000 -0.117 0.000 0.991 454 F HN 0.070 nan 8.300 nan 0.000 0.471 455 Y N -1.467 118.916 120.300 0.138 0.000 2.529 455 Y HA 0.264 4.813 4.550 -0.000 0.000 0.290 455 Y C 1.190 177.109 175.900 0.031 0.000 1.177 455 Y CA -0.249 57.886 58.100 0.059 0.000 1.305 455 Y CB -1.614 36.870 38.460 0.040 0.000 1.047 455 Y HN 0.017 nan 8.280 nan 0.000 0.522 456 N N 0.112 118.854 118.700 0.070 0.000 2.299 456 N HA 0.034 4.774 4.740 -0.000 0.000 0.187 456 N C -0.204 175.331 175.510 0.041 0.000 1.099 456 N CA 0.388 53.491 53.050 0.089 0.000 0.867 456 N CB 0.273 38.765 38.487 0.009 0.000 0.974 456 N HN 0.242 nan 8.380 nan 0.000 0.477 457 T N 1.448 116.011 114.554 0.014 0.000 2.907 457 T HA 0.314 4.663 4.350 -0.000 0.000 0.298 457 T C 0.843 175.542 174.700 -0.001 0.000 1.017 457 T CA -0.154 61.936 62.100 -0.016 0.000 1.118 457 T CB 1.404 70.232 68.868 -0.067 0.000 0.948 457 T HN -0.050 nan 8.240 nan 0.000 0.531 458 I N 1.982 122.545 120.570 -0.011 0.000 2.519 458 I HA 0.334 4.504 4.170 -0.000 0.000 0.287 458 I C 1.378 177.484 176.117 -0.019 0.000 1.047 458 I CA -0.420 60.873 61.300 -0.010 0.000 1.381 458 I CB 0.785 38.779 38.000 -0.011 0.000 1.417 458 I HN 0.666 nan 8.210 nan 0.000 0.540 459 G N 4.742 113.530 108.800 -0.020 0.000 2.569 459 G HA2 0.373 4.333 3.960 -0.000 0.000 0.249 459 G HA3 0.373 4.333 3.960 -0.000 0.000 0.249 459 G C -0.518 174.379 174.900 -0.004 0.000 1.216 459 G CA -0.359 44.730 45.100 -0.019 0.000 0.845 459 G HN 0.377 nan 8.290 nan 0.000 0.568 460 V N 2.147 122.062 119.914 0.002 0.000 2.333 460 V HA 0.236 4.356 4.120 -0.000 0.000 0.274 460 V C -0.256 175.873 176.094 0.058 0.000 1.028 460 V CA -0.572 61.737 62.300 0.015 0.000 0.851 460 V CB 0.729 32.546 31.823 -0.009 0.000 1.000 460 V HN 0.832 nan 8.190 nan 0.000 0.456 461 H N 6.443 125.483 119.070 -0.049 0.000 2.457 461 H HA 0.731 5.286 4.556 -0.000 0.000 0.335 461 H C -2.469 172.831 175.328 -0.046 0.000 1.115 461 H CA -1.905 54.110 56.048 -0.055 0.000 1.219 461 H CB 1.915 31.646 29.762 -0.052 0.000 1.471 461 H HN 0.497 nan 8.280 nan 0.000 0.491 462 P HA 0.342 nan 4.420 nan 0.000 0.301 462 P C -1.381 175.827 177.300 -0.153 0.000 1.338 462 P CA -0.672 62.187 63.100 -0.402 0.000 0.834 462 P CB 1.543 32.929 31.700 -0.524 0.000 0.967 463 T N -2.172 112.330 114.554 -0.087 0.000 2.843 463 T HA 0.363 4.713 4.350 -0.000 0.000 0.302 463 T C 0.633 175.263 174.700 -0.116 0.000 1.232 463 T CA -0.560 61.488 62.100 -0.087 0.000 1.009 463 T CB 1.058 69.887 68.868 -0.064 0.000 1.254 463 T HN -0.006 nan 8.240 nan 0.000 0.504 464 S N 0.441 116.032 115.700 -0.183 0.000 2.425 464 S HA 0.146 4.616 4.470 -0.000 0.000 0.225 464 S C 2.488 176.932 174.600 -0.261 0.000 1.024 464 S CA 0.591 58.594 58.200 -0.328 0.000 0.951 464 S CB -0.745 61.830 63.200 -1.042 0.000 0.796 464 S HN 0.988 nan 8.310 nan 0.000 0.498 465 A N 2.623 125.349 122.820 -0.157 0.000 1.986 465 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 465 A C 2.036 179.612 177.584 -0.013 0.000 1.171 465 A CA 1.722 53.739 52.037 -0.032 0.000 0.640 465 A CB -0.734 18.253 19.000 -0.021 0.000 0.811 465 A HN 0.771 nan 8.150 nan 0.000 0.451 466 E N -0.550 119.627 120.200 -0.039 0.000 2.463 466 E HA -0.174 4.176 4.350 -0.000 0.000 0.201 466 E C 1.292 177.883 176.600 -0.014 0.000 1.045 466 E CA 0.901 57.285 56.400 -0.027 0.000 0.872 466 E CB -0.173 29.512 29.700 -0.026 0.000 0.797 466 E HN 0.568 nan 8.360 nan 0.000 0.538 467 E N 0.559 120.759 120.200 0.000 0.000 2.204 467 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 467 E C 1.845 178.523 176.600 0.130 0.000 0.989 467 E CA 0.302 56.734 56.400 0.054 0.000 0.824 467 E CB -0.025 29.770 29.700 0.160 0.000 0.756 467 E HN 0.297 nan 8.360 nan 0.000 0.477 468 L N 0.389 121.699 121.223 0.145 0.000 2.043 468 L HA -0.219 4.120 4.340 -0.000 0.000 0.212 468 L C 2.185 179.166 176.870 0.185 0.000 1.075 468 L CA 1.455 56.405 54.840 0.183 0.000 0.752 468 L CB -0.805 41.313 42.059 0.099 0.000 0.891 468 L HN 0.177 nan 8.230 nan 0.000 0.432 469 C N -1.623 117.736 119.300 0.099 0.000 2.626 469 C HA 0.121 4.581 4.460 -0.000 0.000 0.266 469 C C 1.975 177.042 174.990 0.128 0.000 1.317 469 C CA 0.321 59.402 59.018 0.106 0.000 1.716 469 C CB -1.163 26.599 27.740 0.038 0.000 1.819 469 C HN 0.443 nan 8.230 nan 0.000 0.578 470 S N 0.147 115.909 115.700 0.103 0.000 2.602 470 S HA 0.318 4.788 4.470 -0.000 0.000 0.240 470 S C 0.247 174.892 174.600 0.075 0.000 0.992 470 S CA 0.012 58.251 58.200 0.064 0.000 0.971 470 S CB -0.117 63.094 63.200 0.018 0.000 0.855 470 S HN 0.558 nan 8.310 nan 0.000 0.481 471 M N 1.649 121.321 119.600 0.119 0.000 2.060 471 M HA 0.390 4.870 4.480 -0.000 0.000 0.342 471 M C 0.913 177.290 176.300 0.129 0.000 1.031 471 M CA -0.201 55.178 55.300 0.131 0.000 0.981 471 M CB 1.043 33.732 32.600 0.147 0.000 1.376 471 M HN 0.010 nan 8.290 nan 0.000 0.397 472 R N 0.099 120.619 120.500 0.033 0.000 2.265 472 R HA 0.167 4.507 4.340 -0.000 0.000 0.194 472 R C -0.066 176.313 176.300 0.131 0.000 0.931 472 R CA 0.639 56.678 56.100 -0.102 0.000 1.032 472 R CB 0.691 30.777 30.300 -0.355 0.000 0.980 472 R HN 0.461 nan 8.270 nan 0.000 0.497 473 T N 2.259 116.916 114.554 0.171 0.000 2.807 473 T HA 0.366 4.716 4.350 -0.000 0.000 0.279 473 T C -2.559 172.069 174.700 -0.121 0.000 0.993 473 T CA -1.495 60.651 62.100 0.076 0.000 0.970 473 T CB 2.460 71.340 68.868 0.020 0.000 0.950 473 T HN -0.115 nan 8.240 nan 0.000 0.441 474 P HA 0.349 nan 4.420 nan 0.000 0.272 474 P C 0.026 176.981 177.300 -0.575 0.000 1.230 474 P CA -0.318 62.187 63.100 -0.991 0.000 0.788 474 P CB 0.652 31.556 31.700 -1.326 0.000 0.949 475 A N 1.504 123.967 122.820 -0.594 0.000 1.973 475 A HA 0.236 4.556 4.320 -0.000 0.000 0.210 475 A C 0.082 177.576 177.584 -0.150 0.000 1.200 475 A CA 1.270 53.151 52.037 -0.260 0.000 0.707 475 A CB -0.528 18.384 19.000 -0.146 0.000 0.862 475 A HN 0.679 nan 8.150 nan 0.000 0.461 476 Y N -5.092 114.889 120.300 -0.531 0.000 2.871 476 Y HA 0.722 5.272 4.550 -0.000 0.000 0.331 476 Y C -1.174 174.289 175.900 -0.729 0.000 1.378 476 Y CA -2.678 55.157 58.100 -0.443 0.000 1.079 476 Y CB 0.335 38.642 38.460 -0.254 0.000 1.441 476 Y HN -0.061 nan 8.280 nan 0.000 0.446 477 F N -0.875 119.058 119.950 -0.028 0.000 2.664 477 F HA 0.628 5.155 4.527 -0.000 0.000 0.317 477 F C -1.621 174.100 175.800 -0.132 0.000 1.108 477 F CA -1.363 56.574 58.000 -0.105 0.000 0.957 477 F CB 1.801 40.716 39.000 -0.143 0.000 1.365 477 F HN 0.390 nan 8.300 nan 0.000 0.475 478 Y N 0.940 121.387 120.300 0.245 0.000 2.447 478 Y HA 0.418 4.968 4.550 -0.000 0.000 0.325 478 Y C -0.418 175.566 175.900 0.140 0.000 0.976 478 Y CA -0.857 57.345 58.100 0.170 0.000 1.280 478 Y CB 1.625 40.163 38.460 0.130 0.000 1.104 478 Y HN 0.421 nan 8.280 nan 0.000 0.486 479 Q N 3.767 123.684 119.800 0.195 0.000 2.337 479 Q HA 0.298 4.638 4.340 -0.000 0.000 0.255 479 Q C -0.123 175.952 176.000 0.126 0.000 0.997 479 Q CA -0.292 55.586 55.803 0.124 0.000 0.925 479 Q CB 0.357 29.123 28.738 0.046 0.000 1.212 479 Q HN 0.590 nan 8.270 nan 0.000 0.436 480 K N 3.729 124.203 120.400 0.124 0.000 3.016 480 K HA -0.305 4.015 4.320 -0.000 0.000 0.262 480 K C 0.659 177.324 176.600 0.108 0.000 1.043 480 K CA 0.602 56.946 56.287 0.095 0.000 0.761 480 K CB -1.878 30.659 32.500 0.062 0.000 1.230 480 K HN 1.116 nan 8.250 nan 0.000 0.485 481 G N -0.990 107.908 108.800 0.163 0.000 2.279 481 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.223 481 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.223 481 G C -0.192 174.863 174.900 0.258 0.000 1.015 481 G CA 0.286 45.490 45.100 0.174 0.000 0.621 481 G HN 0.188 nan 8.290 nan 0.000 0.506 482 K N 1.072 121.589 120.400 0.195 0.000 2.201 482 K HA 0.637 4.957 4.320 -0.000 0.000 0.278 482 K C 0.466 177.113 176.600 0.078 0.000 1.027 482 K CA -0.562 55.803 56.287 0.130 0.000 0.909 482 K CB 1.247 33.788 32.500 0.067 0.000 1.062 482 K HN 0.427 nan 8.250 nan 0.000 0.465 483 R N 1.889 122.351 120.500 -0.062 0.000 2.490 483 R HA 0.242 4.582 4.340 -0.000 0.000 0.280 483 R C 0.024 176.235 176.300 -0.148 0.000 1.077 483 R CA -0.007 55.900 56.100 -0.322 0.000 1.065 483 R CB 0.570 30.591 30.300 -0.464 0.000 1.003 483 R HN 0.486 nan 8.270 nan 0.000 0.470 484 V N 3.225 123.091 119.914 -0.079 0.000 3.264 484 V HA -0.030 4.090 4.120 -0.000 0.000 0.262 484 V C 0.170 176.305 176.094 0.069 0.000 1.616 484 V CA 0.814 63.114 62.300 -0.001 0.000 1.033 484 V CB -0.079 31.749 31.823 0.009 0.000 0.865 484 V HN 1.078 nan 8.190 nan 0.000 0.420 485 E N 1.113 121.439 120.200 0.209 0.000 2.808 485 E HA -0.297 4.053 4.350 -0.000 0.000 0.263 485 E C -0.095 176.650 176.600 0.242 0.000 1.151 485 E CA 1.465 58.042 56.400 0.295 0.000 0.750 485 E CB -1.323 28.451 29.700 0.123 0.000 1.357 485 E HN 0.524 nan 8.360 nan 0.000 0.439 486 K N -0.007 120.438 120.400 0.076 0.000 2.582 486 K HA 0.478 4.798 4.320 -0.000 0.000 0.259 486 K C -0.811 175.622 176.600 -0.280 0.000 0.973 486 K CA -0.536 55.688 56.287 -0.105 0.000 0.880 486 K CB 1.278 33.753 32.500 -0.042 0.000 1.310 486 K HN 0.140 nan 8.250 nan 0.000 0.443 487 I N 0.000 120.267 120.570 -0.505 0.000 2.984 487 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 487 I CA 0.000 61.064 61.300 -0.394 0.000 1.566 487 I CB 0.000 37.589 38.000 -0.684 0.000 1.214 487 I HN 0.000 nan 8.210 nan 0.000 0.494