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 1k9a_1_F DATA FIRST_RESID 6 DATA SEQUENCE ASWPSGTECI AKYNFHGTAE QDLPFCKGDV LTIVAVTKDP NWYKAKNKVG DATA SEQUENCE REGIIPANYV QKREGVKAGT KLSLMPWFHG KITREQAERL LYPPETGLFL DATA SEQUENCE VRESTNYPGD YTLCVScEGK VEHYRIMYHA SKLSIDEEVY FENLMQLVEH DATA SEQUENCE YTTDADGLcT RLIKPKVMEG TVAAQDEFYR SGWALNMKEL KLLQTIGKGE DATA SEQUENCE FGDVMLGDYR GNKVAVKCIK NDATAQAFLA EASVMTQLRH SNLVQLLGVI DATA SEQUENCE VEEKGGLYIV TEYMAKGSLV DYLRSRGRSV LGGDCLLKFS LDVCEAMEYL DATA SEQUENCE EGNNFVHRDL AARNVLVSED NVAKVSDFGL TKEAXXXXXX XXXPVKWTAP DATA SEQUENCE EALREKKFST KSDVWSFGIL LWEIYSFGRV PYPRIPLKDV VPRVEKGYKM DATA SEQUENCE DAPDGCPPAV YDVMKNCWHL DAATRPTFLQ LREQLEHIRT HELHL 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 6 A HA 0.000 nan 4.320 nan 0.000 0.244 6 A C 0.000 177.558 177.584 -0.044 0.000 1.274 6 A CA 0.000 52.022 52.037 -0.025 0.000 0.836 6 A CB 0.000 19.002 19.000 0.004 0.000 0.831 7 S N 2.340 118.027 115.700 -0.023 0.000 2.579 7 S HA 0.443 4.913 4.470 -0.000 0.000 0.275 7 S C 0.156 174.848 174.600 0.153 0.000 1.345 7 S CA -0.237 57.979 58.200 0.028 0.000 1.031 7 S CB 0.175 63.412 63.200 0.062 0.000 0.892 7 S HN 0.690 nan 8.310 nan 0.000 0.529 8 W N 1.946 123.363 121.300 0.196 0.000 2.264 8 W HA 0.273 4.933 4.660 -0.000 0.000 0.331 8 W C -2.378 174.176 176.519 0.058 0.000 1.364 8 W CA -2.090 55.253 57.345 -0.002 0.000 1.253 8 W CB -1.139 28.165 29.460 -0.262 0.000 1.215 8 W HN 0.512 nan 8.180 nan 0.000 0.561 9 P HA 0.022 nan 4.420 nan 0.000 0.274 9 P C 0.021 177.391 177.300 0.118 0.000 1.231 9 P CA -0.258 62.931 63.100 0.149 0.000 0.790 9 P CB 0.762 32.519 31.700 0.095 0.000 0.951 10 S N 1.412 117.173 115.700 0.102 0.000 2.558 10 S HA 0.272 4.742 4.470 -0.000 0.000 0.293 10 S C 1.467 176.086 174.600 0.031 0.000 1.292 10 S CA 1.195 59.440 58.200 0.075 0.000 1.063 10 S CB -1.234 62.006 63.200 0.066 0.000 0.831 10 S HN 0.890 nan 8.310 nan 0.000 0.499 11 G N 3.115 111.919 108.800 0.006 0.000 2.217 11 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.246 11 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.246 11 G C 0.354 175.212 174.900 -0.070 0.000 0.990 11 G CA 0.212 45.298 45.100 -0.024 0.000 0.627 11 G HN 1.004 nan 8.290 nan 0.000 0.522 12 T N 1.060 115.560 114.554 -0.090 0.000 2.939 12 T HA 0.351 4.701 4.350 -0.000 0.000 0.319 12 T C 0.272 174.806 174.700 -0.278 0.000 1.082 12 T CA 0.885 62.871 62.100 -0.189 0.000 1.133 12 T CB 1.331 70.052 68.868 -0.245 0.000 1.019 12 T HN 0.440 nan 8.240 nan 0.000 0.548 13 E N 0.729 120.733 120.200 -0.327 0.000 2.156 13 E HA 0.432 4.782 4.350 -0.000 0.000 0.279 13 E C -1.277 175.015 176.600 -0.513 0.000 0.965 13 E CA -0.681 55.508 56.400 -0.352 0.000 0.789 13 E CB 0.569 30.107 29.700 -0.271 0.000 1.098 13 E HN 0.616 nan 8.360 nan 0.000 0.397 14 C N 5.117 124.105 119.300 -0.520 0.000 2.547 14 C HA 0.512 4.971 4.460 -0.000 0.000 0.313 14 C C -0.103 174.609 174.990 -0.463 0.000 1.191 14 C CA -0.854 57.804 59.018 -0.600 0.000 1.474 14 C CB 0.720 28.003 27.740 -0.762 0.000 2.081 14 C HN 0.777 nan 8.230 nan 0.000 0.476 15 I N 2.794 123.106 120.570 -0.431 0.000 2.428 15 I HA 0.628 4.798 4.170 -0.000 0.000 0.296 15 I C 0.436 176.377 176.117 -0.293 0.000 0.985 15 I CA -0.127 60.973 61.300 -0.333 0.000 1.260 15 I CB 1.328 39.145 38.000 -0.306 0.000 1.389 15 I HN 0.828 nan 8.210 nan 0.000 0.484 16 A N 6.815 129.492 122.820 -0.240 0.000 2.409 16 A HA 0.293 4.613 4.320 -0.000 0.000 0.262 16 A C 0.637 178.163 177.584 -0.096 0.000 1.113 16 A CA -0.312 51.642 52.037 -0.138 0.000 0.790 16 A CB 0.380 19.369 19.000 -0.018 0.000 1.046 16 A HN 0.897 nan 8.150 nan 0.000 0.496 17 K N 0.889 121.154 120.400 -0.225 0.000 2.262 17 K HA 0.113 4.433 4.320 -0.000 0.000 0.200 17 K C -0.724 175.520 176.600 -0.594 0.000 1.049 17 K CA 1.028 57.002 56.287 -0.521 0.000 0.979 17 K CB 0.083 32.010 32.500 -0.955 0.000 0.773 17 K HN 0.784 nan 8.250 nan 0.000 0.474 18 Y N -0.570 119.773 120.300 0.072 0.000 2.677 18 Y HA 0.278 4.828 4.550 -0.000 0.000 0.334 18 Y C -0.230 175.792 175.900 0.203 0.000 1.154 18 Y CA -1.637 56.486 58.100 0.038 0.000 1.070 18 Y CB 0.402 38.732 38.460 -0.217 0.000 1.294 18 Y HN -0.225 nan 8.280 nan 0.000 0.475 19 N N 0.916 119.815 118.700 0.331 0.000 2.529 19 N HA 0.218 4.958 4.740 -0.000 0.000 0.278 19 N C -1.697 173.910 175.510 0.162 0.000 1.146 19 N CA 0.081 53.226 53.050 0.157 0.000 0.980 19 N CB 0.992 39.495 38.487 0.027 0.000 1.124 19 N HN 0.477 nan 8.380 nan 0.000 0.458 20 F N 2.436 122.121 119.950 -0.441 0.000 2.460 20 F HA 0.306 4.833 4.527 -0.000 0.000 0.341 20 F C 0.925 176.362 175.800 -0.605 0.000 1.130 20 F CA -0.847 56.822 58.000 -0.551 0.000 0.962 20 F CB 0.643 38.900 39.000 -1.237 0.000 1.171 20 F HN 0.504 nan 8.300 nan 0.000 0.436 21 H N 3.919 122.640 119.070 -0.582 0.000 2.563 21 H HA 0.316 4.872 4.556 -0.000 0.000 0.264 21 H C 1.053 175.939 175.328 -0.737 0.000 0.957 21 H CA 0.749 56.493 56.048 -0.506 0.000 1.173 21 H CB 0.295 29.916 29.762 -0.236 0.000 1.420 21 H HN 0.782 nan 8.280 nan 0.000 0.551 22 G N 0.752 108.709 108.800 -1.404 0.000 2.719 22 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.686 22 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.686 22 G C 0.678 175.344 174.900 -0.391 0.000 1.201 22 G CA 0.098 44.623 45.100 -0.959 0.000 0.768 22 G HN 0.328 nan 8.290 nan 0.000 0.629 23 T N -1.670 112.800 114.554 -0.140 0.000 2.975 23 T HA 0.784 5.134 4.350 -0.000 0.000 0.261 23 T C 0.972 175.638 174.700 -0.057 0.000 0.984 23 T CA 1.515 63.597 62.100 -0.031 0.000 0.911 23 T CB 0.535 69.456 68.868 0.089 0.000 1.127 23 T HN 2.419 nan 8.240 nan 0.000 0.514 24 A N 0.431 123.208 122.820 -0.071 0.000 2.568 24 A HA 0.703 5.023 4.320 -0.000 0.000 0.291 24 A C 0.482 178.032 177.584 -0.057 0.000 1.159 24 A CA -0.474 51.520 52.037 -0.072 0.000 0.679 24 A CB 0.565 19.504 19.000 -0.101 0.000 1.285 24 A HN 0.061 nan 8.150 nan 0.000 0.428 25 E N -0.006 120.166 120.200 -0.046 0.000 2.017 25 E HA -0.271 4.079 4.350 -0.000 0.000 0.193 25 E C 2.008 178.600 176.600 -0.013 0.000 0.997 25 E CA 1.834 58.216 56.400 -0.029 0.000 0.804 25 E CB -0.210 29.475 29.700 -0.024 0.000 0.757 25 E HN 0.740 nan 8.360 nan 0.000 0.448 26 Q N 1.306 121.097 119.800 -0.015 0.000 2.217 26 Q HA -0.157 4.183 4.340 -0.000 0.000 0.209 26 Q C 0.014 176.047 176.000 0.055 0.000 0.988 26 Q CA 1.083 56.891 55.803 0.010 0.000 0.878 26 Q CB -0.486 28.244 28.738 -0.012 0.000 0.909 26 Q HN 0.078 nan 8.270 nan 0.000 0.424 27 D N 1.325 121.761 120.400 0.059 0.000 2.506 27 D HA 0.115 4.755 4.640 -0.000 0.000 0.234 27 D C -0.795 175.617 176.300 0.187 0.000 1.143 27 D CA 0.096 54.205 54.000 0.181 0.000 0.871 27 D CB 0.657 41.563 40.800 0.176 0.000 1.190 27 D HN 0.157 nan 8.370 nan 0.000 0.459 28 L N 4.457 125.882 121.223 0.337 0.000 2.283 28 L HA 0.404 4.744 4.340 -0.000 0.000 0.281 28 L C -2.550 174.541 176.870 0.368 0.000 1.033 28 L CA -1.770 53.253 54.840 0.304 0.000 0.848 28 L CB 1.107 43.363 42.059 0.329 0.000 1.226 28 L HN 0.150 nan 8.230 nan 0.000 0.429 29 P HA 0.369 nan 4.420 nan 0.000 0.271 29 P C -1.389 176.007 177.300 0.160 0.000 1.238 29 P CA 0.206 63.245 63.100 -0.103 0.000 0.794 29 P CB 0.458 32.071 31.700 -0.144 0.000 0.959 30 F N -3.288 116.718 119.950 0.093 0.000 2.952 30 F HA 0.480 5.007 4.527 -0.000 0.000 0.329 30 F C -1.993 173.846 175.800 0.064 0.000 1.137 30 F CA -1.417 56.637 58.000 0.090 0.000 0.889 30 F CB -0.262 38.817 39.000 0.131 0.000 1.335 30 F HN 0.223 nan 8.300 nan 0.000 0.449 31 C N 1.231 120.770 119.300 0.398 0.000 2.470 31 C HA 0.672 5.132 4.460 -0.000 0.000 0.341 31 C C 0.115 175.273 174.990 0.280 0.000 1.190 31 C CA -1.004 58.162 59.018 0.246 0.000 1.904 31 C CB 1.641 29.452 27.740 0.118 0.000 2.354 31 C HN 0.981 nan 8.230 nan 0.000 0.509 32 K N 0.720 121.246 120.400 0.210 0.000 2.524 32 K HA 0.317 4.637 4.320 -0.000 0.000 0.279 32 K C 1.241 177.907 176.600 0.110 0.000 0.993 32 K CA 1.595 57.979 56.287 0.163 0.000 1.030 32 K CB -0.121 32.459 32.500 0.134 0.000 0.891 32 K HN 1.181 nan 8.250 nan 0.000 0.488 33 G N 2.678 111.524 108.800 0.077 0.000 2.205 33 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.261 33 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.261 33 G C -0.219 174.706 174.900 0.042 0.000 0.980 33 G CA 0.380 45.531 45.100 0.085 0.000 0.632 33 G HN 0.751 nan 8.290 nan 0.000 0.533 34 D N -0.283 120.126 120.400 0.014 0.000 2.368 34 D HA 0.476 5.116 4.640 -0.000 0.000 0.240 34 D C 0.480 176.700 176.300 -0.133 0.000 1.169 34 D CA 0.233 54.212 54.000 -0.034 0.000 0.906 34 D CB 1.425 42.220 40.800 -0.009 0.000 1.187 34 D HN 0.194 nan 8.370 nan 0.000 0.435 35 V N 2.657 122.492 119.914 -0.132 0.000 2.459 35 V HA 0.467 4.587 4.120 -0.000 0.000 0.295 35 V C -0.216 175.756 176.094 -0.203 0.000 1.029 35 V CA -0.657 61.531 62.300 -0.186 0.000 0.874 35 V CB 1.158 32.898 31.823 -0.139 0.000 0.985 35 V HN 0.314 nan 8.190 nan 0.000 0.438 36 L N 3.397 124.459 121.223 -0.269 0.000 2.401 36 L HA 0.620 4.960 4.340 -0.000 0.000 0.266 36 L C -0.122 176.615 176.870 -0.221 0.000 0.991 36 L CA -0.502 54.196 54.840 -0.238 0.000 0.818 36 L CB 2.477 44.343 42.059 -0.322 0.000 1.321 36 L HN 0.475 nan 8.230 nan 0.000 0.413 37 T N 3.411 117.877 114.554 -0.145 0.000 2.744 37 T HA 0.447 4.797 4.350 -0.000 0.000 0.291 37 T C 0.205 174.848 174.700 -0.095 0.000 0.957 37 T CA -0.419 61.605 62.100 -0.128 0.000 1.002 37 T CB 0.834 69.656 68.868 -0.076 0.000 0.919 37 T HN 0.168 nan 8.240 nan 0.000 0.468 38 I N 4.092 124.589 120.570 -0.120 0.000 2.588 38 I HA 0.062 4.232 4.170 -0.000 0.000 0.283 38 I C 1.297 177.433 176.117 0.031 0.000 1.119 38 I CA 0.235 61.508 61.300 -0.045 0.000 1.419 38 I CB 1.095 39.043 38.000 -0.088 0.000 1.394 38 I HN 0.467 nan 8.210 nan 0.000 0.562 39 V N 5.253 125.223 119.914 0.094 0.000 2.690 39 V HA 0.406 4.526 4.120 -0.000 0.000 0.240 39 V C 0.561 176.735 176.094 0.132 0.000 1.078 39 V CA 1.013 63.370 62.300 0.095 0.000 1.102 39 V CB 0.498 32.375 31.823 0.090 0.000 0.800 39 V HN 0.914 nan 8.190 nan 0.000 0.479 40 A N -0.908 122.035 122.820 0.204 0.000 2.581 40 A HA 0.580 4.900 4.320 -0.000 0.000 0.294 40 A C -1.486 176.269 177.584 0.286 0.000 1.035 40 A CA -0.197 51.969 52.037 0.216 0.000 0.684 40 A CB 1.288 20.361 19.000 0.123 0.000 1.282 40 A HN 0.137 nan 8.150 nan 0.000 0.417 41 V N 2.297 122.318 119.914 0.179 0.000 2.498 41 V HA 0.617 4.737 4.120 -0.000 0.000 0.279 41 V C 1.046 177.069 176.094 -0.117 0.000 1.048 41 V CA 0.764 62.953 62.300 -0.185 0.000 0.967 41 V CB 1.195 32.726 31.823 -0.487 0.000 0.988 41 V HN 1.716 nan 8.190 nan 0.000 0.473 42 T N 3.895 118.380 114.554 -0.115 0.000 2.689 42 T HA 0.220 4.570 4.350 -0.000 0.000 0.308 42 T C 1.150 175.810 174.700 -0.067 0.000 1.021 42 T CA 0.305 62.381 62.100 -0.040 0.000 0.973 42 T CB 0.303 69.178 68.868 0.011 0.000 1.113 42 T HN 0.741 nan 8.240 nan 0.000 0.522 43 K N -0.019 120.359 120.400 -0.037 0.000 2.152 43 K HA -0.048 4.272 4.320 -0.000 0.000 0.206 43 K C 0.682 177.259 176.600 -0.037 0.000 1.048 43 K CA 1.029 57.294 56.287 -0.036 0.000 0.933 43 K CB -0.177 32.307 32.500 -0.026 0.000 0.721 43 K HN 0.540 nan 8.250 nan 0.000 0.447 44 D N 0.543 120.936 120.400 -0.012 0.000 2.313 44 D HA 0.097 4.737 4.640 -0.000 0.000 0.239 44 D C -2.030 174.251 176.300 -0.032 0.000 1.142 44 D CA -2.512 51.510 54.000 0.038 0.000 0.847 44 D CB 1.587 42.491 40.800 0.173 0.000 1.082 44 D HN -0.183 nan 8.370 nan 0.000 0.480 45 P HA -0.073 nan 4.420 nan 0.000 0.221 45 P C 0.709 177.858 177.300 -0.252 0.000 1.145 45 P CA 0.672 63.637 63.100 -0.224 0.000 0.795 45 P CB 0.368 31.975 31.700 -0.156 0.000 0.775 46 N N -2.120 116.503 118.700 -0.129 0.000 2.467 46 N HA -0.043 4.697 4.740 -0.000 0.000 0.184 46 N C -0.234 174.980 175.510 -0.493 0.000 1.106 46 N CA 0.670 53.547 53.050 -0.289 0.000 0.892 46 N CB -0.018 38.298 38.487 -0.285 0.000 0.969 46 N HN 0.277 nan 8.380 nan 0.000 0.454 47 W N -0.290 120.933 121.300 -0.127 0.000 2.883 47 W HA 0.439 5.099 4.660 -0.000 0.000 0.335 47 W C -0.691 175.758 176.519 -0.117 0.000 1.083 47 W CA -0.709 56.614 57.345 -0.037 0.000 1.233 47 W CB 0.502 29.950 29.460 -0.020 0.000 1.412 47 W HN -0.217 nan 8.180 nan 0.000 0.490 48 Y N 0.712 121.166 120.300 0.257 0.000 2.630 48 Y HA 0.508 5.058 4.550 -0.000 0.000 0.337 48 Y C 0.020 176.036 175.900 0.195 0.000 1.051 48 Y CA -1.736 56.480 58.100 0.194 0.000 1.121 48 Y CB 1.792 40.370 38.460 0.197 0.000 1.299 48 Y HN 0.190 nan 8.280 nan 0.000 0.498 49 K N 1.265 121.865 120.400 0.334 0.000 2.185 49 K HA 0.844 5.164 4.320 -0.000 0.000 0.269 49 K C -1.311 175.410 176.600 0.203 0.000 0.987 49 K CA -0.302 56.119 56.287 0.223 0.000 0.865 49 K CB 0.821 33.414 32.500 0.155 0.000 1.090 49 K HN 0.816 nan 8.250 nan 0.000 0.450 50 A N 3.793 126.711 122.820 0.164 0.000 2.583 50 A HA 0.654 4.974 4.320 -0.000 0.000 0.289 50 A C -1.584 176.048 177.584 0.078 0.000 1.151 50 A CA -0.920 51.176 52.037 0.099 0.000 0.695 50 A CB 1.433 20.473 19.000 0.066 0.000 1.290 50 A HN 0.698 nan 8.150 nan 0.000 0.419 51 K N 0.477 120.896 120.400 0.032 0.000 2.482 51 K HA 0.430 4.750 4.320 -0.000 0.000 0.257 51 K C -0.776 175.822 176.600 -0.004 0.000 0.969 51 K CA -0.980 55.325 56.287 0.029 0.000 0.842 51 K CB 1.926 34.439 32.500 0.022 0.000 1.359 51 K HN 0.865 nan 8.250 nan 0.000 0.441 52 N N 0.282 118.989 118.700 0.013 0.000 2.538 52 N HA 0.090 4.830 4.740 -0.000 0.000 0.292 52 N C -0.516 174.988 175.510 -0.010 0.000 1.262 52 N CA -0.751 52.295 53.050 -0.006 0.000 0.976 52 N CB 0.522 39.028 38.487 0.032 0.000 1.161 52 N HN 0.534 nan 8.380 nan 0.000 0.598 53 K N -0.397 119.995 120.400 -0.014 0.000 3.233 53 K HA 0.258 4.578 4.320 -0.000 0.000 0.283 53 K C -0.414 176.187 176.600 0.002 0.000 1.209 53 K CA -0.190 56.091 56.287 -0.011 0.000 1.197 53 K CB -0.246 32.246 32.500 -0.013 0.000 1.431 53 K HN 0.288 nan 8.250 nan 0.000 0.326 54 V N -0.672 119.246 119.914 0.007 0.000 3.289 54 V HA 0.157 4.277 4.120 -0.000 0.000 0.262 54 V C 0.999 177.102 176.094 0.015 0.000 1.707 54 V CA 0.195 62.502 62.300 0.013 0.000 1.024 54 V CB 1.111 32.946 31.823 0.019 0.000 0.871 54 V HN 0.701 nan 8.190 nan 0.000 0.397 55 G N 1.409 110.219 108.800 0.016 0.000 2.184 55 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.206 55 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.206 55 G C 0.177 175.094 174.900 0.029 0.000 0.995 55 G CA -0.072 45.039 45.100 0.019 0.000 0.651 55 G HN 0.435 nan 8.290 nan 0.000 0.511 56 R N 1.132 121.654 120.500 0.037 0.000 2.489 56 R HA 0.421 4.761 4.340 -0.000 0.000 0.287 56 R C 0.044 176.382 176.300 0.062 0.000 1.053 56 R CA 0.327 56.457 56.100 0.050 0.000 1.036 56 R CB 0.504 30.841 30.300 0.060 0.000 0.966 56 R HN 0.490 nan 8.270 nan 0.000 0.432 57 E N 0.643 120.882 120.200 0.064 0.000 2.202 57 E HA 0.610 4.960 4.350 -0.000 0.000 0.272 57 E C -0.091 176.568 176.600 0.098 0.000 0.951 57 E CA -0.814 55.632 56.400 0.077 0.000 0.813 57 E CB 2.163 31.901 29.700 0.062 0.000 1.151 57 E HN 0.736 nan 8.360 nan 0.000 0.398 58 G N 1.222 110.098 108.800 0.128 0.000 2.451 58 G HA2 0.317 4.277 3.960 -0.000 0.000 0.292 58 G HA3 0.317 4.277 3.960 -0.000 0.000 0.292 58 G C -1.449 173.573 174.900 0.204 0.000 1.427 58 G CA -0.827 44.366 45.100 0.154 0.000 0.792 58 G HN 0.265 nan 8.290 nan 0.000 0.498 59 I N 1.124 121.828 120.570 0.223 0.000 2.396 59 I HA 0.563 4.733 4.170 -0.000 0.000 0.292 59 I C 0.567 176.955 176.117 0.451 0.000 0.999 59 I CA -0.698 60.774 61.300 0.287 0.000 1.310 59 I CB 0.643 38.746 38.000 0.171 0.000 1.404 59 I HN 0.638 nan 8.210 nan 0.000 0.496 60 I N 4.344 125.210 120.570 0.494 0.000 2.865 60 I HA 0.636 4.806 4.170 -0.000 0.000 0.302 60 I C -2.891 173.357 176.117 0.218 0.000 1.140 60 I CA -2.241 59.294 61.300 0.393 0.000 1.021 60 I CB 2.906 41.135 38.000 0.381 0.000 1.233 60 I HN 0.233 nan 8.210 nan 0.000 0.427 61 P HA 0.215 nan 4.420 nan 0.000 0.292 61 P C 0.478 177.608 177.300 -0.283 0.000 1.326 61 P CA -0.267 62.289 63.100 -0.906 0.000 0.787 61 P CB 1.863 32.687 31.700 -1.461 0.000 0.903 62 A N 5.014 127.748 122.820 -0.142 0.000 1.958 62 A HA -0.268 4.052 4.320 -0.000 0.000 0.221 62 A C 2.073 179.726 177.584 0.115 0.000 1.178 62 A CA 1.706 53.793 52.037 0.084 0.000 0.642 62 A CB -1.267 17.707 19.000 -0.043 0.000 0.816 62 A HN 0.522 nan 8.150 nan 0.000 0.453 63 N N -1.700 117.018 118.700 0.030 0.000 2.289 63 N HA -0.153 4.587 4.740 -0.000 0.000 0.184 63 N C 1.321 177.022 175.510 0.318 0.000 1.016 63 N CA 1.327 54.470 53.050 0.154 0.000 0.872 63 N CB -0.278 38.288 38.487 0.133 0.000 0.973 63 N HN 0.630 nan 8.380 nan 0.000 0.433 64 Y N 0.429 120.788 120.300 0.098 0.000 2.395 64 Y HA -0.003 4.547 4.550 -0.000 0.000 0.293 64 Y C 1.320 177.257 175.900 0.062 0.000 1.123 64 Y CA 0.063 58.298 58.100 0.225 0.000 1.227 64 Y CB -0.209 38.392 38.460 0.236 0.000 1.012 64 Y HN -0.176 nan 8.280 nan 0.000 0.552 65 V N -1.291 118.720 119.914 0.161 0.000 3.093 65 V HA 0.566 4.686 4.120 -0.000 0.000 0.320 65 V C -0.560 175.484 176.094 -0.084 0.000 1.093 65 V CA -1.068 61.197 62.300 -0.059 0.000 1.016 65 V CB 1.920 33.629 31.823 -0.190 0.000 1.096 65 V HN 0.056 nan 8.190 nan 0.000 0.452 66 Q N 0.918 120.557 119.800 -0.268 0.000 2.347 66 Q HA 0.393 4.733 4.340 -0.000 0.000 0.271 66 Q C -0.867 174.827 176.000 -0.510 0.000 1.064 66 Q CA -0.765 54.863 55.803 -0.292 0.000 0.800 66 Q CB 2.162 30.717 28.738 -0.305 0.000 1.304 66 Q HN 0.898 nan 8.270 nan 0.000 0.438 67 K N 3.535 123.602 120.400 -0.555 0.000 2.402 67 K HA 0.064 4.384 4.320 -0.000 0.000 0.285 67 K C -0.439 175.869 176.600 -0.486 0.000 1.054 67 K CA -0.076 55.790 56.287 -0.702 0.000 1.001 67 K CB 0.513 32.640 32.500 -0.621 0.000 0.946 67 K HN 0.527 nan 8.250 nan 0.000 0.473 68 R N 4.821 125.001 120.500 -0.535 0.000 2.220 68 R HA 0.051 4.391 4.340 -0.000 0.000 0.340 68 R C -0.622 175.458 176.300 -0.367 0.000 1.076 68 R CA -0.215 55.533 56.100 -0.586 0.000 0.920 68 R CB 0.442 30.264 30.300 -0.797 0.000 1.062 68 R HN 0.786 nan 8.270 nan 0.000 0.469 69 E N 2.794 122.872 120.200 -0.203 0.000 2.393 69 E HA 0.463 4.812 4.350 -0.000 0.000 0.265 69 E C -0.524 176.175 176.600 0.166 0.000 0.941 69 E CA -1.449 54.937 56.400 -0.023 0.000 0.801 69 E CB 1.061 30.725 29.700 -0.060 0.000 1.313 69 E HN 0.527 nan 8.360 nan 0.000 0.435 70 G N -0.094 108.778 108.800 0.120 0.000 2.491 70 G HA2 0.351 4.311 3.960 -0.000 0.000 0.242 70 G HA3 0.351 4.311 3.960 -0.000 0.000 0.242 70 G C -0.406 174.493 174.900 -0.001 0.000 1.266 70 G CA -0.606 44.550 45.100 0.092 0.000 0.844 70 G HN 0.220 nan 8.290 nan 0.000 0.571 71 V N 3.257 123.112 119.914 -0.098 0.000 2.240 71 V HA 0.158 4.278 4.120 -0.000 0.000 0.265 71 V C 0.383 176.360 176.094 -0.195 0.000 1.073 71 V CA -0.660 61.499 62.300 -0.235 0.000 0.857 71 V CB 0.479 31.962 31.823 -0.566 0.000 1.114 71 V HN 0.667 nan 8.190 nan 0.000 0.469 72 K N 4.041 124.371 120.400 -0.116 0.000 2.166 72 K HA 0.437 4.757 4.320 -0.000 0.000 0.273 72 K C 0.883 177.433 176.600 -0.084 0.000 1.095 72 K CA -0.029 56.214 56.287 -0.073 0.000 0.985 72 K CB 0.523 33.004 32.500 -0.033 0.000 1.172 72 K HN 0.745 nan 8.250 nan 0.000 0.401 73 A N 2.622 125.387 122.820 -0.092 0.000 2.614 73 A HA 0.295 4.615 4.320 -0.000 0.000 0.231 73 A C 0.745 178.303 177.584 -0.043 0.000 1.076 73 A CA 0.712 52.705 52.037 -0.073 0.000 0.767 73 A CB 0.203 19.166 19.000 -0.061 0.000 1.012 73 A HN 0.789 nan 8.150 nan 0.000 0.512 74 G N -1.610 107.171 108.800 -0.033 0.000 2.788 74 G HA2 0.454 4.414 3.960 -0.000 0.000 0.293 74 G HA3 0.454 4.414 3.960 -0.000 0.000 0.293 74 G C 0.423 175.319 174.900 -0.007 0.000 1.392 74 G CA 0.590 45.679 45.100 -0.018 0.000 0.810 74 G HN 0.918 nan 8.290 nan 0.000 0.508 75 T N -1.254 113.300 114.554 0.000 0.000 3.148 75 T HA 0.138 4.488 4.350 -0.000 0.000 0.253 75 T C 1.133 175.840 174.700 0.012 0.000 1.134 75 T CA 1.101 63.207 62.100 0.011 0.000 1.051 75 T CB -0.384 68.493 68.868 0.014 0.000 0.959 75 T HN 0.367 nan 8.240 nan 0.000 0.525 76 K N 0.520 120.921 120.400 0.002 0.000 2.536 76 K HA 0.284 4.604 4.320 -0.000 0.000 0.203 76 K C -0.775 175.819 176.600 -0.010 0.000 1.063 76 K CA -0.380 55.907 56.287 -0.001 0.000 1.063 76 K CB 0.828 33.327 32.500 -0.002 0.000 0.843 76 K HN 0.145 nan 8.250 nan 0.000 0.521 77 L N 1.424 122.641 121.223 -0.011 0.000 2.255 77 L HA 0.368 4.708 4.340 -0.000 0.000 0.289 77 L C -0.855 176.006 176.870 -0.015 0.000 1.046 77 L CA 0.136 54.968 54.840 -0.012 0.000 0.816 77 L CB 1.295 43.345 42.059 -0.015 0.000 1.197 77 L HN -0.054 nan 8.230 nan 0.000 0.427 78 S N 4.054 119.735 115.700 -0.032 0.000 2.548 78 S HA 0.485 4.955 4.470 -0.000 0.000 0.276 78 S C 0.555 175.096 174.600 -0.097 0.000 1.129 78 S CA -0.661 57.491 58.200 -0.080 0.000 0.931 78 S CB 1.106 64.236 63.200 -0.117 0.000 1.068 78 S HN 0.673 nan 8.310 nan 0.000 0.480 79 L N 3.279 124.433 121.223 -0.115 0.000 2.492 79 L HA 0.301 4.641 4.340 -0.000 0.000 0.223 79 L C 0.292 177.004 176.870 -0.264 0.000 1.132 79 L CA 0.658 55.436 54.840 -0.104 0.000 0.850 79 L CB -0.137 41.892 42.059 -0.050 0.000 0.966 79 L HN 0.561 nan 8.230 nan 0.000 0.454 80 M N -0.418 118.895 119.600 -0.479 0.000 2.065 80 M HA 0.261 4.741 4.480 -0.000 0.000 0.308 80 M C -1.908 173.822 176.300 -0.950 0.000 0.939 80 M CA -1.612 53.049 55.300 -1.065 0.000 0.890 80 M CB 1.300 33.096 32.600 -1.339 0.000 1.383 80 M HN -0.268 nan 8.290 nan 0.000 0.381 81 P HA -0.206 nan 4.420 nan 0.000 0.215 81 P C 1.235 178.331 177.300 -0.340 0.000 1.163 81 P CA 1.855 64.733 63.100 -0.372 0.000 0.894 81 P CB -0.219 31.387 31.700 -0.157 0.000 0.791 82 W N -1.527 119.752 121.300 -0.036 0.000 2.364 82 W HA -0.052 4.608 4.660 0.000 0.000 0.281 82 W C 0.915 177.403 176.519 -0.052 0.000 1.219 82 W CA -0.361 56.936 57.345 -0.079 0.000 1.220 82 W CB -2.166 27.274 29.460 -0.033 0.000 1.127 82 W HN -0.105 nan 8.180 nan 0.000 0.556 83 F N 2.332 122.164 119.950 -0.196 0.000 2.626 83 F HA -0.122 4.405 4.527 -0.000 0.000 0.354 83 F C 1.634 177.309 175.800 -0.207 0.000 1.168 83 F CA 0.967 58.924 58.000 -0.073 0.000 1.368 83 F CB 0.497 39.369 39.000 -0.213 0.000 1.092 83 F HN -0.094 nan 8.300 nan 0.000 0.612 84 H N 2.403 121.091 119.070 -0.637 0.000 3.771 84 H HA 0.179 4.735 4.556 -0.000 0.000 0.260 84 H C 1.610 176.669 175.328 -0.448 0.000 1.158 84 H CA 0.722 56.553 56.048 -0.362 0.000 1.170 84 H CB 0.785 30.432 29.762 -0.191 0.000 1.539 84 H HN 0.867 nan 8.280 nan 0.000 0.634 85 G N 1.833 110.068 108.800 -0.942 0.000 4.754 85 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.222 85 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.222 85 G C 1.088 175.920 174.900 -0.114 0.000 1.377 85 G CA 0.916 45.827 45.100 -0.314 0.000 0.942 85 G HN 0.270 nan 8.290 nan 0.000 0.671 86 K N 0.341 120.703 120.400 -0.062 0.000 2.609 86 K HA 0.331 4.651 4.320 -0.000 0.000 0.195 86 K C 0.571 177.149 176.600 -0.037 0.000 1.144 86 K CA -0.366 55.903 56.287 -0.031 0.000 1.084 86 K CB 0.245 32.747 32.500 0.003 0.000 0.877 86 K HN 0.407 nan 8.250 nan 0.000 0.540 87 I N 3.360 123.898 120.570 -0.052 0.000 2.691 87 I HA -0.055 4.115 4.170 -0.000 0.000 0.288 87 I C 0.556 176.628 176.117 -0.074 0.000 1.143 87 I CA 0.776 62.030 61.300 -0.077 0.000 1.364 87 I CB -0.854 37.045 38.000 -0.169 0.000 1.435 87 I HN -0.032 nan 8.210 nan 0.000 0.551 88 T N 7.546 122.064 114.554 -0.059 0.000 2.854 88 T HA -0.061 4.289 4.350 -0.000 0.000 0.336 88 T C 1.628 176.280 174.700 -0.079 0.000 1.095 88 T CA -0.172 61.892 62.100 -0.060 0.000 1.118 88 T CB 0.541 69.380 68.868 -0.047 0.000 1.025 88 T HN 0.494 nan 8.240 nan 0.000 0.549 89 R N 1.772 122.210 120.500 -0.104 0.000 2.132 89 R HA -0.144 4.196 4.340 -0.000 0.000 0.233 89 R C 2.425 178.658 176.300 -0.111 0.000 1.125 89 R CA 2.007 58.002 56.100 -0.175 0.000 0.914 89 R CB -0.595 29.548 30.300 -0.262 0.000 0.845 89 R HN 0.764 nan 8.270 nan 0.000 0.431 90 E N 0.646 120.800 120.200 -0.076 0.000 2.267 90 E HA -0.242 4.108 4.350 -0.000 0.000 0.197 90 E C 2.065 178.654 176.600 -0.018 0.000 0.998 90 E CA 1.200 57.584 56.400 -0.027 0.000 0.830 90 E CB -0.132 29.555 29.700 -0.021 0.000 0.751 90 E HN 0.499 nan 8.360 nan 0.000 0.491 91 Q N 0.137 119.914 119.800 -0.039 0.000 2.137 91 Q HA -0.006 4.334 4.340 -0.000 0.000 0.198 91 Q C 2.298 178.263 176.000 -0.059 0.000 0.960 91 Q CA 0.942 56.718 55.803 -0.044 0.000 0.847 91 Q CB -0.041 28.663 28.738 -0.056 0.000 0.915 91 Q HN 0.238 nan 8.270 nan 0.000 0.448 92 A N 1.556 124.336 122.820 -0.067 0.000 1.933 92 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 92 A C 1.823 179.407 177.584 0.000 0.000 1.175 92 A CA 1.404 53.398 52.037 -0.072 0.000 0.628 92 A CB -0.309 18.665 19.000 -0.045 0.000 0.814 92 A HN 0.315 nan 8.150 nan 0.000 0.444 93 E N -0.356 119.873 120.200 0.049 0.000 2.028 93 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 93 E C 2.290 178.927 176.600 0.062 0.000 0.988 93 E CA 1.100 57.551 56.400 0.086 0.000 0.799 93 E CB -0.227 29.544 29.700 0.119 0.000 0.755 93 E HN 0.545 nan 8.360 nan 0.000 0.447 94 R N 0.748 121.276 120.500 0.047 0.000 2.117 94 R HA -0.121 4.219 4.340 -0.000 0.000 0.243 94 R C 2.169 178.498 176.300 0.048 0.000 1.143 94 R CA 0.941 57.072 56.100 0.053 0.000 0.968 94 R CB -0.471 29.842 30.300 0.021 0.000 0.863 94 R HN 0.191 nan 8.270 nan 0.000 0.444 95 L N 1.431 122.660 121.223 0.012 0.000 2.749 95 L HA -0.004 4.336 4.340 -0.000 0.000 0.245 95 L C 0.148 177.039 176.870 0.035 0.000 1.156 95 L CA 0.478 55.319 54.840 0.001 0.000 0.890 95 L CB -0.277 41.740 42.059 -0.070 0.000 1.036 95 L HN 0.144 nan 8.230 nan 0.000 0.441 96 L N -2.281 118.982 121.223 0.067 0.000 2.489 96 L HA 0.194 4.534 4.340 -0.000 0.000 0.257 96 L C -0.004 176.933 176.870 0.112 0.000 1.215 96 L CA -0.368 54.516 54.840 0.074 0.000 0.915 96 L CB 0.468 42.555 42.059 0.046 0.000 1.146 96 L HN -0.126 nan 8.230 nan 0.000 0.494 97 Y N 2.255 122.558 120.300 0.004 0.000 2.314 97 Y HA 0.297 4.847 4.550 -0.000 0.000 0.294 97 Y C -1.205 174.698 175.900 0.006 0.000 1.139 97 Y CA 0.068 58.170 58.100 0.004 0.000 1.162 97 Y CB -0.044 38.418 38.460 0.003 0.000 1.121 97 Y HN 0.312 nan 8.280 nan 0.000 0.529 98 P HA 0.091 nan 4.420 nan 0.000 0.265 98 P C -2.360 174.921 177.300 -0.032 0.000 1.222 98 P CA -0.528 62.579 63.100 0.012 0.000 0.767 98 P CB 1.078 32.814 31.700 0.060 0.000 0.801 99 P HA 0.191 nan 4.420 nan 0.000 0.337 99 P C -0.755 176.533 177.300 -0.021 0.000 1.404 99 P CA -0.139 62.928 63.100 -0.056 0.000 0.864 99 P CB 0.365 32.012 31.700 -0.088 0.000 2.124 100 E N -0.304 119.884 120.200 -0.020 0.000 6.890 100 E HA -0.091 4.259 4.350 -0.000 0.000 0.195 100 E C -0.783 175.824 176.600 0.011 0.000 1.108 100 E CA 0.387 56.785 56.400 -0.004 0.000 1.547 100 E CB -1.805 27.894 29.700 -0.001 0.000 0.935 100 E HN 0.665 nan 8.360 nan 0.000 0.290 101 T N 0.326 114.888 114.554 0.013 0.000 2.567 101 T HA 0.158 4.508 4.350 -0.000 0.000 0.218 101 T C 1.328 176.056 174.700 0.046 0.000 1.017 101 T CA 1.341 63.458 62.100 0.029 0.000 1.161 101 T CB 0.673 69.553 68.868 0.021 0.000 1.010 101 T HN 1.221 nan 8.240 nan 0.000 0.447 102 G N 2.111 110.957 108.800 0.078 0.000 3.753 102 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.196 102 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.196 102 G C -0.046 174.972 174.900 0.196 0.000 1.538 102 G CA -0.339 44.831 45.100 0.116 0.000 1.040 102 G HN 1.136 nan 8.290 nan 0.000 0.427 103 L N 2.779 124.074 121.223 0.120 0.000 2.573 103 L HA 0.521 4.861 4.340 -0.000 0.000 0.290 103 L C -0.041 176.948 176.870 0.199 0.000 1.247 103 L CA 0.555 55.446 54.840 0.084 0.000 0.876 103 L CB -0.139 41.947 42.059 0.045 0.000 1.123 103 L HN 0.971 nan 8.230 nan 0.000 0.505 104 F N 4.253 124.231 119.950 0.046 0.000 2.703 104 F HA 0.686 5.213 4.527 -0.000 0.000 0.308 104 F C -1.935 173.930 175.800 0.110 0.000 1.126 104 F CA -1.602 56.426 58.000 0.047 0.000 0.959 104 F CB 0.610 39.599 39.000 -0.019 0.000 1.297 104 F HN 0.516 nan 8.300 nan 0.000 0.441 105 L N 0.737 122.169 121.223 0.349 0.000 2.469 105 L HA 0.947 5.287 4.340 -0.000 0.000 0.256 105 L C -1.882 175.236 176.870 0.413 0.000 1.006 105 L CA -1.293 53.769 54.840 0.370 0.000 0.832 105 L CB 1.912 44.171 42.059 0.333 0.000 1.421 105 L HN 0.583 nan 8.230 nan 0.000 0.410 106 V N 2.240 122.428 119.914 0.457 0.000 2.349 106 V HA 0.573 4.693 4.120 -0.000 0.000 0.284 106 V C 0.557 176.752 176.094 0.167 0.000 1.014 106 V CA -0.510 62.010 62.300 0.366 0.000 0.826 106 V CB 0.756 32.911 31.823 0.552 0.000 1.009 106 V HN 0.991 nan 8.190 nan 0.000 0.431 107 R N 3.669 124.235 120.500 0.111 0.000 1.575 107 R HA 0.579 4.919 4.340 -0.000 0.000 0.094 107 R C -0.148 176.159 176.300 0.012 0.000 0.590 107 R CA -0.610 55.479 56.100 -0.018 0.000 1.957 107 R CB 0.702 30.997 30.300 -0.008 0.000 0.778 107 R HN 0.538 nan 8.270 nan 0.000 0.730 108 E N 0.054 120.257 120.200 0.006 0.000 2.308 108 E HA 0.116 4.466 4.350 -0.000 0.000 0.275 108 E C -1.485 175.108 176.600 -0.012 0.000 0.890 108 E CA -0.542 55.857 56.400 -0.002 0.000 0.754 108 E CB 2.215 31.883 29.700 -0.053 0.000 1.207 108 E HN 0.484 nan 8.360 nan 0.000 0.426 109 S N 2.588 118.273 115.700 -0.025 0.000 2.808 109 S HA -0.013 4.457 4.470 -0.000 0.000 0.342 109 S C 0.516 175.133 174.600 0.028 0.000 1.154 109 S CA 0.519 58.742 58.200 0.039 0.000 1.476 109 S CB -0.291 62.954 63.200 0.076 0.000 1.290 109 S HN 0.570 nan 8.310 nan 0.000 0.582 110 T N 4.465 119.036 114.554 0.029 0.000 3.039 110 T HA 0.019 4.369 4.350 -0.000 0.000 0.250 110 T C 1.575 176.291 174.700 0.026 0.000 1.052 110 T CA 0.552 62.658 62.100 0.010 0.000 1.125 110 T CB -0.196 68.665 68.868 -0.012 0.000 0.908 110 T HN 0.623 nan 8.240 nan 0.000 0.473 111 N N 0.834 119.579 118.700 0.076 0.000 2.188 111 N HA -0.034 4.706 4.740 -0.000 0.000 0.184 111 N C -0.175 175.391 175.510 0.092 0.000 1.018 111 N CA 0.908 54.026 53.050 0.113 0.000 0.858 111 N CB -0.142 38.483 38.487 0.229 0.000 0.989 111 N HN 0.365 nan 8.380 nan 0.000 0.426 112 Y N -0.351 119.952 120.300 0.004 0.000 2.495 112 Y HA 0.397 4.946 4.550 -0.000 0.000 0.362 112 Y C -2.438 173.474 175.900 0.020 0.000 0.956 112 Y CA -3.090 55.020 58.100 0.017 0.000 1.127 112 Y CB 0.455 38.934 38.460 0.032 0.000 1.173 112 Y HN -0.130 nan 8.280 nan 0.000 0.639 113 P HA -0.055 nan 4.420 nan 0.000 0.260 113 P C 1.017 178.357 177.300 0.068 0.000 1.147 113 P CA 2.338 65.465 63.100 0.044 0.000 0.758 113 P CB 0.396 32.101 31.700 0.010 0.000 0.744 114 G N 1.886 110.714 108.800 0.047 0.000 2.380 114 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.197 114 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.197 114 G C 0.072 175.058 174.900 0.143 0.000 1.001 114 G CA -0.195 44.953 45.100 0.081 0.000 0.668 114 G HN 0.504 nan 8.290 nan 0.000 0.483 115 D N -0.807 119.668 120.400 0.124 0.000 2.577 115 D HA 0.722 5.362 4.640 -0.000 0.000 0.248 115 D C -0.226 176.026 176.300 -0.081 0.000 1.181 115 D CA -0.092 54.043 54.000 0.225 0.000 1.083 115 D CB 0.554 41.520 40.800 0.277 0.000 1.198 115 D HN 0.184 nan 8.370 nan 0.000 0.626 116 Y N -1.015 119.389 120.300 0.172 0.000 2.805 116 Y HA 0.528 5.078 4.550 -0.000 0.000 0.323 116 Y C -0.194 175.771 175.900 0.108 0.000 1.279 116 Y CA -0.637 57.558 58.100 0.157 0.000 1.103 116 Y CB 1.763 40.335 38.460 0.185 0.000 1.324 116 Y HN 0.012 nan 8.280 nan 0.000 0.498 117 T N 1.900 116.625 114.554 0.286 0.000 2.993 117 T HA 0.447 4.797 4.350 -0.000 0.000 0.312 117 T C -1.790 173.015 174.700 0.176 0.000 1.115 117 T CA -0.593 61.612 62.100 0.174 0.000 1.027 117 T CB 1.397 70.332 68.868 0.112 0.000 1.116 117 T HN 0.562 nan 8.240 nan 0.000 0.464 118 L N 2.473 123.782 121.223 0.144 0.000 2.317 118 L HA 0.799 5.139 4.340 -0.000 0.000 0.281 118 L C -1.083 175.908 176.870 0.202 0.000 1.024 118 L CA -0.424 54.502 54.840 0.143 0.000 0.810 118 L CB 0.583 42.651 42.059 0.014 0.000 1.240 118 L HN 0.772 nan 8.230 nan 0.000 0.427 119 C N 4.098 123.532 119.300 0.223 0.000 2.498 119 C HA 0.822 5.282 4.460 -0.000 0.000 0.316 119 C C -0.355 174.762 174.990 0.211 0.000 1.209 119 C CA -0.714 58.430 59.018 0.211 0.000 1.518 119 C CB 1.496 29.364 27.740 0.213 0.000 2.147 119 C HN 0.601 nan 8.230 nan 0.000 0.483 120 V N 1.638 121.638 119.914 0.144 0.000 2.971 120 V HA 0.572 4.692 4.120 -0.000 0.000 0.309 120 V C -0.270 175.861 176.094 0.062 0.000 1.130 120 V CA -0.361 62.029 62.300 0.151 0.000 0.964 120 V CB 2.333 34.272 31.823 0.193 0.000 1.029 120 V HN 0.854 nan 8.190 nan 0.000 0.427 121 S N 2.426 118.165 115.700 0.066 0.000 2.404 121 S HA 0.362 4.832 4.470 -0.000 0.000 0.309 121 S C -0.009 174.604 174.600 0.021 0.000 1.076 121 S CA -0.488 57.724 58.200 0.018 0.000 1.095 121 S CB -0.349 62.861 63.200 0.017 0.000 0.972 121 S HN 0.788 nan 8.310 nan 0.000 0.484 122 c N 3.972 122.573 118.600 0.002 0.000 0.000 122 c HA 0.349 4.919 4.570 -0.000 0.000 0.000 122 c C 2.350 176.435 174.090 -0.008 0.000 0.000 122 c CA -0.589 55.746 56.329 0.009 0.000 0.000 122 c CB 0.528 43.043 42.510 0.008 0.000 0.000 122 c HN 0.937 nan 8.230 nan 0.000 0.000 123 E N 0.718 120.915 120.200 -0.005 0.000 2.253 123 E HA -0.164 4.186 4.350 -0.000 0.000 0.202 123 E C 1.122 177.705 176.600 -0.028 0.000 1.014 123 E CA 2.290 58.682 56.400 -0.013 0.000 0.823 123 E CB -0.382 29.312 29.700 -0.010 0.000 0.736 123 E HN 0.875 nan 8.360 nan 0.000 0.478 124 G N 1.176 109.956 108.800 -0.034 0.000 2.710 124 G HA2 0.178 4.138 3.960 -0.000 0.000 0.198 124 G HA3 0.178 4.138 3.960 -0.000 0.000 0.198 124 G C -0.096 174.767 174.900 -0.063 0.000 1.797 124 G CA 0.065 45.136 45.100 -0.049 0.000 0.759 124 G HN 0.305 nan 8.290 nan 0.000 0.808 125 K N -0.145 120.216 120.400 -0.064 0.000 2.170 125 K HA 0.386 4.706 4.320 -0.000 0.000 0.241 125 K C -0.734 175.806 176.600 -0.100 0.000 1.071 125 K CA -0.232 56.007 56.287 -0.081 0.000 0.822 125 K CB 0.366 32.817 32.500 -0.081 0.000 1.097 125 K HN 0.084 nan 8.250 nan 0.000 0.522 126 V N 1.413 121.240 119.914 -0.146 0.000 2.417 126 V HA 0.171 4.291 4.120 -0.000 0.000 0.291 126 V C -0.404 175.443 176.094 -0.412 0.000 1.024 126 V CA -0.773 61.404 62.300 -0.205 0.000 0.861 126 V CB 1.303 33.028 31.823 -0.164 0.000 0.985 126 V HN 0.647 nan 8.190 nan 0.000 0.436 127 E N 3.406 123.384 120.200 -0.370 0.000 2.216 127 E HA 0.396 4.746 4.350 -0.000 0.000 0.279 127 E C -0.856 175.350 176.600 -0.656 0.000 0.997 127 E CA -0.576 55.487 56.400 -0.561 0.000 0.817 127 E CB 1.244 30.663 29.700 -0.468 0.000 1.096 127 E HN 0.572 nan 8.360 nan 0.000 0.393 128 H N 3.183 121.989 119.070 -0.439 0.000 2.623 128 H HA 0.235 4.791 4.556 -0.000 0.000 0.299 128 H C -0.674 174.404 175.328 -0.417 0.000 1.052 128 H CA -0.307 55.563 56.048 -0.297 0.000 1.231 128 H CB -0.077 29.594 29.762 -0.151 0.000 1.389 128 H HN 0.374 nan 8.280 nan 0.000 0.469 129 Y N 1.666 122.006 120.300 0.066 0.000 2.331 129 Y HA 0.220 4.770 4.550 -0.000 0.000 0.338 129 Y C 1.093 176.983 175.900 -0.017 0.000 0.976 129 Y CA -0.712 57.383 58.100 -0.008 0.000 1.137 129 Y CB 1.484 39.900 38.460 -0.073 0.000 1.172 129 Y HN 0.383 nan 8.280 nan 0.000 0.478 130 R N 4.763 125.319 120.500 0.094 0.000 2.298 130 R HA 0.395 4.735 4.340 -0.000 0.000 0.310 130 R C -1.034 175.281 176.300 0.025 0.000 1.068 130 R CA -0.122 55.995 56.100 0.028 0.000 0.957 130 R CB 0.249 30.496 30.300 -0.089 0.000 1.003 130 R HN 0.769 nan 8.270 nan 0.000 0.454 131 I N 5.537 126.145 120.570 0.063 0.000 2.428 131 I HA 0.252 4.422 4.170 -0.000 0.000 0.296 131 I C 0.113 176.307 176.117 0.128 0.000 0.985 131 I CA -0.674 60.666 61.300 0.068 0.000 1.260 131 I CB 1.804 39.858 38.000 0.091 0.000 1.389 131 I HN 0.490 nan 8.210 nan 0.000 0.484 132 M N 5.815 125.495 119.600 0.134 0.000 2.181 132 M HA 0.353 4.833 4.480 -0.000 0.000 0.323 132 M C -1.201 175.305 176.300 0.342 0.000 1.004 132 M CA -0.625 54.795 55.300 0.200 0.000 0.941 132 M CB 1.795 34.468 32.600 0.122 0.000 1.579 132 M HN 0.351 nan 8.290 nan 0.000 0.427 133 Y N 2.482 122.939 120.300 0.262 0.000 2.342 133 Y HA 0.603 5.153 4.550 -0.000 0.000 0.334 133 Y C -0.867 175.233 175.900 0.334 0.000 1.067 133 Y CA -0.669 57.608 58.100 0.296 0.000 1.128 133 Y CB 0.706 39.366 38.460 0.332 0.000 1.200 133 Y HN 0.734 nan 8.280 nan 0.000 0.464 134 H N 1.923 121.222 119.070 0.383 0.000 3.057 134 H HA 0.459 5.015 4.556 -0.000 0.000 0.308 134 H C -0.072 175.311 175.328 0.093 0.000 1.276 134 H CA -0.373 55.749 56.048 0.123 0.000 1.325 134 H CB 1.024 30.870 29.762 0.140 0.000 1.963 134 H HN 0.646 nan 8.280 nan 0.000 0.524 135 A N 1.911 124.596 122.820 -0.225 0.000 2.790 135 A HA -0.203 4.117 4.320 -0.000 0.000 0.277 135 A C 1.097 178.665 177.584 -0.028 0.000 1.435 135 A CA 1.841 53.797 52.037 -0.135 0.000 0.877 135 A CB -2.215 16.743 19.000 -0.070 0.000 1.007 135 A HN 1.663 nan 8.150 nan 0.000 0.613 136 S N -2.126 113.572 115.700 -0.002 0.000 3.672 136 S HA -0.163 4.307 4.470 -0.000 0.000 0.319 136 S C -0.014 174.826 174.600 0.401 0.000 1.151 136 S CA 1.742 60.059 58.200 0.195 0.000 0.911 136 S CB -0.829 62.417 63.200 0.076 0.000 0.939 136 S HN 1.028 nan 8.310 nan 0.000 0.524 137 K N -0.022 120.655 120.400 0.463 0.000 2.435 137 K HA 0.688 5.008 4.320 -0.000 0.000 0.251 137 K C -0.414 176.440 176.600 0.424 0.000 0.954 137 K CA -0.572 55.928 56.287 0.355 0.000 0.820 137 K CB 1.800 34.422 32.500 0.203 0.000 1.292 137 K HN 0.162 nan 8.250 nan 0.000 0.436 138 L N 0.600 122.003 121.223 0.300 0.000 2.334 138 L HA 0.582 4.922 4.340 -0.000 0.000 0.276 138 L C 0.012 177.063 176.870 0.301 0.000 1.014 138 L CA -0.484 54.499 54.840 0.239 0.000 0.815 138 L CB 1.936 44.048 42.059 0.088 0.000 1.268 138 L HN 0.606 nan 8.230 nan 0.000 0.428 139 S N 1.330 117.136 115.700 0.177 0.000 2.565 139 S HA 0.575 5.045 4.470 -0.000 0.000 0.274 139 S C -0.041 174.545 174.600 -0.024 0.000 1.144 139 S CA -0.501 57.688 58.200 -0.019 0.000 0.849 139 S CB 1.226 64.125 63.200 -0.502 0.000 1.103 139 S HN 0.552 nan 8.310 nan 0.000 0.455 140 I N 1.181 121.716 120.570 -0.057 0.000 3.812 140 I HA 0.172 4.342 4.170 -0.000 0.000 0.292 140 I C 0.946 177.029 176.117 -0.056 0.000 1.206 140 I CA 0.123 61.387 61.300 -0.061 0.000 1.370 140 I CB 0.119 38.045 38.000 -0.124 0.000 1.328 140 I HN 0.723 nan 8.210 nan 0.000 0.453 141 D N 1.283 121.641 120.400 -0.071 0.000 2.388 141 D HA -0.035 4.605 4.640 -0.000 0.000 0.221 141 D C 0.130 176.354 176.300 -0.127 0.000 1.133 141 D CA -0.009 53.951 54.000 -0.067 0.000 0.831 141 D CB -0.363 40.420 40.800 -0.028 0.000 0.962 141 D HN 0.297 nan 8.370 nan 0.000 0.502 142 E N 0.094 120.171 120.200 -0.205 0.000 2.325 142 E HA -0.283 4.067 4.350 -0.000 0.000 0.232 142 E C 0.219 176.703 176.600 -0.193 0.000 1.276 142 E CA 0.871 57.150 56.400 -0.200 0.000 0.717 142 E CB -0.869 28.828 29.700 -0.006 0.000 1.192 142 E HN 0.626 nan 8.360 nan 0.000 0.380 143 E N -1.256 118.729 120.200 -0.357 0.000 2.583 143 E HA 0.077 4.427 4.350 -0.000 0.000 0.204 143 E C -0.208 176.218 176.600 -0.290 0.000 0.860 143 E CA 0.253 56.540 56.400 -0.187 0.000 1.473 143 E CB 1.085 30.725 29.700 -0.100 0.000 1.469 143 E HN 0.016 nan 8.360 nan 0.000 0.788 144 V N 2.063 121.680 119.914 -0.495 0.000 2.417 144 V HA 0.379 4.499 4.120 -0.000 0.000 0.291 144 V C -1.102 174.368 176.094 -1.039 0.000 1.024 144 V CA -0.627 61.316 62.300 -0.596 0.000 0.861 144 V CB 0.472 31.979 31.823 -0.527 0.000 0.985 144 V HN 0.106 nan 8.190 nan 0.000 0.436 145 Y N 4.160 123.998 120.300 -0.770 0.000 2.409 145 Y HA 0.798 5.348 4.550 -0.000 0.000 0.343 145 Y C -0.390 174.977 175.900 -0.888 0.000 0.973 145 Y CA -0.735 56.950 58.100 -0.691 0.000 1.064 145 Y CB 1.940 40.247 38.460 -0.256 0.000 1.207 145 Y HN 0.563 nan 8.280 nan 0.000 0.452 146 F N -0.319 119.697 119.950 0.110 0.000 2.611 146 F HA 0.500 5.027 4.527 -0.000 0.000 0.324 146 F C 0.915 176.737 175.800 0.037 0.000 1.061 146 F CA -1.136 56.890 58.000 0.044 0.000 0.954 146 F CB 1.089 40.079 39.000 -0.016 0.000 1.301 146 F HN 0.372 nan 8.300 nan 0.000 0.482 147 E N 0.851 121.174 120.200 0.204 0.000 2.014 147 E HA -0.033 4.317 4.350 -0.000 0.000 0.190 147 E C 0.018 176.639 176.600 0.033 0.000 0.980 147 E CA 0.885 57.353 56.400 0.113 0.000 0.807 147 E CB -0.199 29.551 29.700 0.083 0.000 0.770 147 E HN 0.727 nan 8.360 nan 0.000 0.451 148 N N -0.065 118.636 118.700 0.001 0.000 2.457 148 N HA 0.159 4.899 4.740 -0.000 0.000 0.290 148 N C 0.993 176.443 175.510 -0.100 0.000 1.232 148 N CA -0.407 52.587 53.050 -0.094 0.000 0.852 148 N CB 1.618 40.045 38.487 -0.099 0.000 1.313 148 N HN -0.082 nan 8.380 nan 0.000 0.522 149 L N -0.038 121.099 121.223 -0.144 0.000 2.450 149 L HA -0.086 4.254 4.340 -0.000 0.000 0.224 149 L C 2.240 179.201 176.870 0.153 0.000 1.149 149 L CA 1.000 55.817 54.840 -0.039 0.000 0.816 149 L CB -0.388 41.708 42.059 0.062 0.000 0.932 149 L HN 0.559 nan 8.230 nan 0.000 0.449 150 M N -0.864 118.836 119.600 0.166 0.000 2.081 150 M HA -0.183 4.297 4.480 -0.000 0.000 0.261 150 M C 2.251 178.549 176.300 -0.003 0.000 1.075 150 M CA 1.660 57.092 55.300 0.219 0.000 1.133 150 M CB -0.374 32.314 32.600 0.147 0.000 1.330 150 M HN 0.210 nan 8.290 nan 0.000 0.414 151 Q N 0.493 120.276 119.800 -0.028 0.000 2.217 151 Q HA -0.227 4.113 4.340 -0.000 0.000 0.209 151 Q C 2.043 177.889 176.000 -0.258 0.000 0.988 151 Q CA 1.482 57.275 55.803 -0.016 0.000 0.878 151 Q CB -0.416 28.404 28.738 0.136 0.000 0.909 151 Q HN 0.533 nan 8.270 nan 0.000 0.424 152 L N -0.064 120.796 121.223 -0.605 0.000 1.961 152 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 152 L C 2.198 178.743 176.870 -0.542 0.000 1.075 152 L CA 1.138 55.253 54.840 -1.208 0.000 0.749 152 L CB -0.368 41.098 42.059 -0.989 0.000 0.890 152 L HN 0.028 nan 8.230 nan 0.000 0.433 153 V N 0.335 119.953 119.914 -0.492 0.000 2.380 153 V HA -0.306 3.814 4.120 -0.000 0.000 0.251 153 V C 2.553 178.454 176.094 -0.321 0.000 1.063 153 V CA 2.070 64.038 62.300 -0.552 0.000 1.055 153 V CB -0.766 30.484 31.823 -0.955 0.000 0.657 153 V HN 0.576 nan 8.190 nan 0.000 0.455 154 E N -0.432 119.653 120.200 -0.191 0.000 2.268 154 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 154 E C 2.128 178.689 176.600 -0.066 0.000 0.995 154 E CA 1.188 57.533 56.400 -0.092 0.000 0.836 154 E CB -0.348 29.333 29.700 -0.031 0.000 0.763 154 E HN 0.760 nan 8.360 nan 0.000 0.491 155 H N -1.147 117.827 119.070 -0.159 0.000 2.465 155 H HA -0.026 4.530 4.556 -0.000 0.000 0.289 155 H C 0.321 175.456 175.328 -0.321 0.000 1.022 155 H CA 0.905 56.858 56.048 -0.159 0.000 1.340 155 H CB 0.075 29.814 29.762 -0.037 0.000 1.437 155 H HN 0.208 nan 8.280 nan 0.000 0.539 156 Y N 0.588 120.810 120.300 -0.130 0.000 2.583 156 Y HA 0.153 4.703 4.550 -0.000 0.000 0.294 156 Y C 1.403 177.125 175.900 -0.297 0.000 1.170 156 Y CA 0.248 58.223 58.100 -0.209 0.000 1.265 156 Y CB 0.565 38.842 38.460 -0.305 0.000 1.119 156 Y HN 0.126 nan 8.280 nan 0.000 0.522 157 T N -2.742 111.702 114.554 -0.184 0.000 2.955 157 T HA 0.006 4.356 4.350 -0.000 0.000 0.251 157 T C 1.617 176.229 174.700 -0.146 0.000 1.002 157 T CA 0.710 62.712 62.100 -0.164 0.000 0.970 157 T CB 0.300 69.083 68.868 -0.141 0.000 1.091 157 T HN 0.121 nan 8.240 nan 0.000 0.495 158 T N 1.506 115.944 114.554 -0.195 0.000 3.060 158 T HA 0.183 4.533 4.350 -0.000 0.000 0.249 158 T C -0.290 174.263 174.700 -0.244 0.000 1.079 158 T CA 0.178 62.160 62.100 -0.196 0.000 1.013 158 T CB 0.181 68.926 68.868 -0.205 0.000 0.975 158 T HN 0.198 nan 8.240 nan 0.000 0.518 159 D N -0.466 119.756 120.400 -0.297 0.000 2.414 159 D HA 0.293 4.933 4.640 -0.000 0.000 0.187 159 D C 0.529 176.641 176.300 -0.314 0.000 1.255 159 D CA -0.263 53.558 54.000 -0.297 0.000 0.825 159 D CB 0.336 40.920 40.800 -0.360 0.000 1.912 159 D HN -0.050 nan 8.370 nan 0.000 0.530 160 A N 3.276 125.981 122.820 -0.191 0.000 2.139 160 A HA -0.102 4.218 4.320 -0.000 0.000 0.221 160 A C 1.263 178.762 177.584 -0.143 0.000 1.159 160 A CA 1.403 53.361 52.037 -0.131 0.000 0.662 160 A CB -0.340 18.608 19.000 -0.087 0.000 0.796 160 A HN 0.693 nan 8.150 nan 0.000 0.463 161 D N -2.208 118.074 120.400 -0.196 0.000 2.755 161 D HA -0.220 4.420 4.640 -0.000 0.000 0.228 161 D C 1.020 177.285 176.300 -0.058 0.000 1.172 161 D CA 1.803 55.714 54.000 -0.149 0.000 0.630 161 D CB -1.368 39.296 40.800 -0.227 0.000 1.040 161 D HN 1.240 nan 8.370 nan 0.000 0.418 162 G N -1.975 106.792 108.800 -0.055 0.000 2.229 162 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.189 162 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.189 162 G C 0.508 175.366 174.900 -0.071 0.000 1.000 162 G CA 0.162 45.240 45.100 -0.037 0.000 0.663 162 G HN 0.428 nan 8.290 nan 0.000 0.493 163 L N -0.039 121.101 121.223 -0.138 0.000 2.488 163 L HA 0.362 4.702 4.340 -0.000 0.000 0.249 163 L C 2.339 179.168 176.870 -0.069 0.000 1.151 163 L CA -0.598 54.059 54.840 -0.305 0.000 0.806 163 L CB 0.251 42.031 42.059 -0.464 0.000 1.261 163 L HN 0.182 nan 8.230 nan 0.000 0.484 164 c N -0.747 117.889 118.600 0.061 0.000 2.376 164 c HA -0.134 4.436 4.570 -0.000 0.000 0.275 164 c C 1.359 175.469 174.090 0.033 0.000 1.200 164 c CA 1.713 58.108 56.329 0.110 0.000 1.756 164 c CB -0.655 41.957 42.510 0.169 0.000 2.050 164 c HN 0.878 nan 8.230 nan 0.000 0.460 165 T N -2.243 112.315 114.554 0.006 0.000 2.749 165 T HA 0.409 4.759 4.350 -0.000 0.000 0.310 165 T C -0.749 173.927 174.700 -0.040 0.000 1.496 165 T CA -0.826 61.266 62.100 -0.013 0.000 1.006 165 T CB 0.901 69.772 68.868 0.005 0.000 1.457 165 T HN 0.535 nan 8.240 nan 0.000 0.497 166 R N 1.443 121.912 120.500 -0.053 0.000 2.840 166 R HA 0.569 4.909 4.340 -0.000 0.000 0.282 166 R C -0.168 176.087 176.300 -0.076 0.000 1.133 166 R CA -0.686 55.365 56.100 -0.082 0.000 1.208 166 R CB -0.019 30.227 30.300 -0.090 0.000 1.160 166 R HN 0.528 nan 8.270 nan 0.000 0.576 167 L N 0.711 121.852 121.223 -0.137 0.000 2.357 167 L HA 0.372 4.712 4.340 -0.000 0.000 0.273 167 L C 0.758 177.647 176.870 0.031 0.000 1.080 167 L CA -0.409 54.340 54.840 -0.152 0.000 0.803 167 L CB 1.249 42.905 42.059 -0.670 0.000 1.174 167 L HN 0.712 nan 8.230 nan 0.000 0.443 168 I N -0.145 120.557 120.570 0.219 0.000 3.780 168 I HA 0.169 4.339 4.170 -0.000 0.000 0.271 168 I C 0.062 176.308 176.117 0.214 0.000 0.736 168 I CA -0.632 60.770 61.300 0.171 0.000 2.760 168 I CB 0.298 38.358 38.000 0.100 0.000 1.523 168 I HN 0.399 nan 8.210 nan 0.000 0.513 169 K N 2.883 123.358 120.400 0.125 0.000 2.312 169 K HA 0.310 4.630 4.320 -0.000 0.000 0.287 169 K C -2.428 174.063 176.600 -0.183 0.000 1.062 169 K CA -1.498 54.801 56.287 0.019 0.000 0.934 169 K CB 0.623 33.129 32.500 0.011 0.000 1.027 169 K HN -0.036 nan 8.250 nan 0.000 0.478 170 P HA 0.008 nan 4.420 nan 0.000 0.272 170 P C -0.574 176.543 177.300 -0.304 0.000 1.230 170 P CA -0.298 62.468 63.100 -0.557 0.000 0.788 170 P CB 0.518 32.167 31.700 -0.084 0.000 0.949 171 K N 2.223 122.465 120.400 -0.263 0.000 3.016 171 K HA 0.204 4.524 4.320 -0.000 0.000 0.226 171 K C -1.007 175.627 176.600 0.057 0.000 1.245 171 K CA -0.474 55.797 56.287 -0.027 0.000 1.174 171 K CB -1.182 31.362 32.500 0.073 0.000 1.572 171 K HN 0.090 nan 8.250 nan 0.000 0.462 172 V N 2.748 122.667 119.914 0.008 0.000 2.726 172 V HA -0.141 3.979 4.120 -0.000 0.000 0.304 172 V C 0.807 176.891 176.094 -0.016 0.000 1.115 172 V CA 0.785 63.075 62.300 -0.017 0.000 1.264 172 V CB 0.105 31.927 31.823 -0.002 0.000 0.867 172 V HN 0.644 nan 8.190 nan 0.000 0.498 173 M N 5.246 124.783 119.600 -0.105 0.000 2.152 173 M HA 0.307 4.787 4.480 -0.000 0.000 0.354 173 M C 0.402 176.690 176.300 -0.021 0.000 1.173 173 M CA -0.370 54.898 55.300 -0.053 0.000 1.110 173 M CB 0.051 32.527 32.600 -0.206 0.000 1.366 173 M HN 0.758 nan 8.290 nan 0.000 0.415 174 E N 2.272 122.480 120.200 0.013 0.000 2.598 174 E HA -0.039 4.311 4.350 -0.000 0.000 0.273 174 E C 0.929 177.532 176.600 0.006 0.000 1.029 174 E CA 1.506 57.912 56.400 0.010 0.000 0.985 174 E CB 0.148 29.860 29.700 0.020 0.000 0.988 174 E HN 1.014 nan 8.360 nan 0.000 0.460 175 G N 1.810 110.612 108.800 0.003 0.000 2.149 175 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.235 175 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.235 175 G C 0.083 174.980 174.900 -0.005 0.000 1.018 175 G CA 0.371 45.473 45.100 0.002 0.000 0.728 175 G HN 0.571 nan 8.290 nan 0.000 0.508 176 T N -0.671 113.875 114.554 -0.013 0.000 2.807 176 T HA 0.596 4.946 4.350 -0.000 0.000 0.279 176 T C -0.046 174.643 174.700 -0.019 0.000 0.993 176 T CA 0.069 62.155 62.100 -0.023 0.000 0.970 176 T CB 1.729 70.569 68.868 -0.048 0.000 0.950 176 T HN 1.102 nan 8.240 nan 0.000 0.441 177 V N 5.489 125.393 119.914 -0.017 0.000 2.370 177 V HA 0.750 4.870 4.120 -0.000 0.000 0.279 177 V C 0.450 176.543 176.094 -0.001 0.000 1.029 177 V CA -0.737 61.558 62.300 -0.009 0.000 0.870 177 V CB 0.559 32.373 31.823 -0.014 0.000 0.984 177 V HN 1.130 nan 8.190 nan 0.000 0.451 178 A N 6.050 128.878 122.820 0.012 0.000 2.500 178 A HA 0.499 4.819 4.320 -0.000 0.000 0.285 178 A C 1.576 179.205 177.584 0.074 0.000 1.183 178 A CA 0.530 52.587 52.037 0.033 0.000 0.851 178 A CB 0.022 19.048 19.000 0.044 0.000 1.091 178 A HN 1.744 nan 8.150 nan 0.000 0.521 179 A N 2.226 125.107 122.820 0.103 0.000 1.917 179 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 179 A C 2.034 179.837 177.584 0.365 0.000 1.182 179 A CA 1.958 54.126 52.037 0.218 0.000 0.633 179 A CB -0.530 18.655 19.000 0.308 0.000 0.819 179 A HN 0.894 nan 8.150 nan 0.000 0.448 180 Q N -0.701 119.258 119.800 0.265 0.000 2.152 180 Q HA -0.241 4.099 4.340 -0.000 0.000 0.206 180 Q C 1.472 177.635 176.000 0.273 0.000 0.985 180 Q CA 1.810 57.769 55.803 0.259 0.000 0.863 180 Q CB -0.149 28.673 28.738 0.139 0.000 0.904 180 Q HN 0.674 nan 8.270 nan 0.000 0.422 181 D N -0.147 120.371 120.400 0.196 0.000 2.077 181 D HA -0.167 4.473 4.640 -0.000 0.000 0.193 181 D C 1.836 178.229 176.300 0.155 0.000 0.989 181 D CA 0.968 55.076 54.000 0.180 0.000 0.831 181 D CB -0.054 40.812 40.800 0.110 0.000 0.979 181 D HN 0.224 nan 8.370 nan 0.000 0.449 182 E N 0.390 120.633 120.200 0.072 0.000 2.068 182 E HA -0.217 4.133 4.350 -0.000 0.000 0.207 182 E C 2.300 178.868 176.600 -0.053 0.000 1.032 182 E CA 0.936 57.303 56.400 -0.056 0.000 0.839 182 E CB -0.811 28.772 29.700 -0.195 0.000 0.758 182 E HN 0.368 nan 8.360 nan 0.000 0.457 183 F N -0.143 119.866 119.950 0.099 0.000 2.065 183 F HA -0.265 4.261 4.527 -0.000 0.000 0.298 183 F C 2.549 178.451 175.800 0.169 0.000 1.112 183 F CA 1.685 59.775 58.000 0.151 0.000 1.212 183 F CB -0.787 38.302 39.000 0.148 0.000 0.975 183 F HN 0.123 nan 8.300 nan 0.000 0.476 184 Y N 1.052 121.495 120.300 0.239 0.000 2.114 184 Y HA -0.216 4.334 4.550 -0.000 0.000 0.284 184 Y C 2.588 178.519 175.900 0.052 0.000 1.143 184 Y CA 1.594 59.769 58.100 0.124 0.000 1.135 184 Y CB -0.761 37.751 38.460 0.088 0.000 0.980 184 Y HN -0.139 nan 8.280 nan 0.000 0.499 185 R N 0.104 120.467 120.500 -0.228 0.000 2.159 185 R HA -0.102 4.238 4.340 -0.000 0.000 0.237 185 R C 2.037 178.179 176.300 -0.263 0.000 1.131 185 R CA 1.636 57.539 56.100 -0.329 0.000 0.982 185 R CB -0.544 29.689 30.300 -0.112 0.000 0.868 185 R HN 0.300 nan 8.270 nan 0.000 0.453 186 S N -1.149 114.461 115.700 -0.150 0.000 2.593 186 S HA 0.188 4.658 4.470 -0.000 0.000 0.217 186 S C 0.969 175.418 174.600 -0.252 0.000 0.966 186 S CA 0.571 58.696 58.200 -0.125 0.000 0.914 186 S CB 0.713 63.916 63.200 0.005 0.000 0.776 186 S HN 0.656 nan 8.310 nan 0.000 0.523 187 G N 0.470 109.097 108.800 -0.289 0.000 2.136 187 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.242 187 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.242 187 G C 0.186 174.837 174.900 -0.415 0.000 0.989 187 G CA 0.072 44.931 45.100 -0.402 0.000 0.682 187 G HN 0.660 nan 8.290 nan 0.000 0.522 188 W N 0.559 121.876 121.300 0.028 0.000 3.123 188 W HA 0.677 5.337 4.660 -0.000 0.000 0.383 188 W C 1.177 177.775 176.519 0.132 0.000 1.102 188 W CA -0.057 57.343 57.345 0.091 0.000 1.865 188 W CB 0.704 30.271 29.460 0.178 0.000 1.111 188 W HN 0.576 nan 8.180 nan 0.000 0.621 189 A N 1.659 124.680 122.820 0.335 0.000 2.301 189 A HA 0.602 4.922 4.320 -0.000 0.000 0.298 189 A C -1.212 176.482 177.584 0.183 0.000 1.185 189 A CA -0.260 51.950 52.037 0.289 0.000 0.830 189 A CB 0.637 19.881 19.000 0.407 0.000 1.112 189 A HN 0.128 nan 8.150 nan 0.000 0.508 190 L N 3.224 124.514 121.223 0.112 0.000 2.365 190 L HA 0.381 4.721 4.340 -0.000 0.000 0.273 190 L C -0.263 176.634 176.870 0.045 0.000 1.000 190 L CA -0.607 54.264 54.840 0.052 0.000 0.819 190 L CB 1.657 43.687 42.059 -0.048 0.000 1.284 190 L HN 0.782 nan 8.230 nan 0.000 0.418 191 N N 3.992 122.732 118.700 0.067 0.000 2.440 191 N HA -0.082 4.658 4.740 -0.000 0.000 0.265 191 N C 0.643 176.195 175.510 0.070 0.000 1.239 191 N CA -0.202 52.885 53.050 0.062 0.000 0.909 191 N CB 0.638 39.173 38.487 0.081 0.000 1.066 191 N HN 0.838 nan 8.380 nan 0.000 0.474 192 M N 1.803 121.432 119.600 0.049 0.000 2.629 192 M HA -0.068 4.412 4.480 -0.000 0.000 0.257 192 M C 1.747 178.091 176.300 0.072 0.000 1.071 192 M CA 1.311 56.647 55.300 0.060 0.000 1.077 192 M CB -0.189 32.435 32.600 0.040 0.000 1.423 192 M HN 0.715 nan 8.290 nan 0.000 0.508 193 K N -0.344 120.100 120.400 0.073 0.000 2.029 193 K HA -0.049 4.271 4.320 -0.000 0.000 0.205 193 K C 1.080 177.737 176.600 0.095 0.000 1.042 193 K CA 1.053 57.383 56.287 0.073 0.000 0.949 193 K CB 0.046 32.581 32.500 0.059 0.000 0.740 193 K HN 0.106 nan 8.250 nan 0.000 0.442 194 E N 0.855 121.134 120.200 0.132 0.000 2.438 194 E HA 0.018 4.368 4.350 -0.000 0.000 0.192 194 E C -0.840 175.915 176.600 0.258 0.000 1.110 194 E CA 0.093 56.586 56.400 0.155 0.000 0.893 194 E CB 0.196 29.987 29.700 0.151 0.000 0.990 194 E HN 0.089 nan 8.360 nan 0.000 0.490 195 L N 1.409 122.759 121.223 0.212 0.000 2.408 195 L HA 0.360 4.700 4.340 -0.000 0.000 0.257 195 L C -1.170 175.769 176.870 0.114 0.000 1.053 195 L CA -0.715 54.249 54.840 0.207 0.000 0.922 195 L CB 0.393 42.532 42.059 0.133 0.000 1.261 195 L HN -0.176 nan 8.230 nan 0.000 0.458 196 K N 4.284 124.739 120.400 0.093 0.000 2.338 196 K HA 0.349 4.669 4.320 -0.000 0.000 0.290 196 K C -0.216 176.401 176.600 0.027 0.000 1.069 196 K CA 0.115 56.432 56.287 0.051 0.000 0.941 196 K CB 0.464 32.985 32.500 0.035 0.000 1.023 196 K HN 0.512 nan 8.250 nan 0.000 0.477 197 L N 4.895 126.128 121.223 0.017 0.000 2.455 197 L HA 0.150 4.490 4.340 -0.000 0.000 0.272 197 L C 0.325 177.182 176.870 -0.022 0.000 1.174 197 L CA 0.013 54.846 54.840 -0.012 0.000 0.869 197 L CB -0.038 42.010 42.059 -0.018 0.000 1.130 197 L HN 0.440 nan 8.230 nan 0.000 0.474 198 L N 2.271 123.469 121.223 -0.042 0.000 2.422 198 L HA 0.355 4.695 4.340 -0.000 0.000 0.263 198 L C 0.188 177.028 176.870 -0.050 0.000 1.110 198 L CA -1.016 53.797 54.840 -0.044 0.000 1.065 198 L CB 0.768 42.791 42.059 -0.059 0.000 1.701 198 L HN 0.619 nan 8.230 nan 0.000 0.548 199 Q N -0.153 119.618 119.800 -0.048 0.000 2.379 199 Q HA 0.009 4.349 4.340 -0.000 0.000 0.320 199 Q C -0.839 175.132 176.000 -0.047 0.000 1.153 199 Q CA 0.247 56.026 55.803 -0.041 0.000 0.993 199 Q CB -0.388 28.329 28.738 -0.035 0.000 1.265 199 Q HN 0.381 nan 8.270 nan 0.000 0.423 200 T N 2.450 116.983 114.554 -0.034 0.000 2.817 200 T HA 0.278 4.628 4.350 -0.000 0.000 0.293 200 T C 1.038 175.729 174.700 -0.015 0.000 0.964 200 T CA -0.469 61.611 62.100 -0.033 0.000 1.085 200 T CB 0.416 69.266 68.868 -0.029 0.000 0.921 200 T HN 0.531 nan 8.240 nan 0.000 0.502 201 I N 1.520 122.086 120.570 -0.006 0.000 2.429 201 I HA 0.281 4.451 4.170 -0.000 0.000 0.247 201 I C 1.469 177.607 176.117 0.035 0.000 1.099 201 I CA 0.253 61.571 61.300 0.029 0.000 1.422 201 I CB 0.005 38.046 38.000 0.069 0.000 1.112 201 I HN 0.658 nan 8.210 nan 0.000 0.430 202 G N -0.454 108.361 108.800 0.026 0.000 2.682 202 G HA2 0.461 4.421 3.960 -0.000 0.000 0.290 202 G HA3 0.461 4.421 3.960 -0.000 0.000 0.290 202 G C -0.341 174.569 174.900 0.016 0.000 1.425 202 G CA -0.312 44.803 45.100 0.026 0.000 0.807 202 G HN -0.262 nan 8.290 nan 0.000 0.482 203 K N -0.625 119.786 120.400 0.019 0.000 2.485 203 K HA 0.323 4.643 4.320 -0.000 0.000 0.200 203 K C 1.332 177.947 176.600 0.024 0.000 1.352 203 K CA 0.645 56.939 56.287 0.012 0.000 0.953 203 K CB 0.258 32.758 32.500 -0.001 0.000 1.387 203 K HN 1.439 nan 8.250 nan 0.000 0.512 204 G N 2.526 111.344 108.800 0.031 0.000 2.774 204 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.279 204 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.279 204 G C 0.448 175.335 174.900 -0.022 0.000 1.372 204 G CA 0.542 45.671 45.100 0.049 0.000 0.913 204 G HN 0.304 nan 8.290 nan 0.000 0.562 205 E N -0.648 119.483 120.200 -0.115 0.000 2.442 205 E HA 0.119 4.469 4.350 -0.000 0.000 0.195 205 E C 1.434 177.679 176.600 -0.590 0.000 1.030 205 E CA 0.963 57.087 56.400 -0.459 0.000 0.869 205 E CB 0.033 29.259 29.700 -0.789 0.000 0.857 205 E HN 0.501 nan 8.360 nan 0.000 0.505 206 F N -0.758 119.191 119.950 -0.002 0.000 2.767 206 F HA 0.454 4.981 4.527 -0.000 0.000 0.323 206 F C 0.835 176.642 175.800 0.012 0.000 1.091 206 F CA 0.094 58.097 58.000 0.005 0.000 1.192 206 F CB 1.436 40.435 39.000 -0.002 0.000 1.056 206 F HN -0.025 nan 8.300 nan 0.000 0.571 207 G N -0.091 108.816 108.800 0.178 0.000 2.384 207 G HA2 0.302 4.262 3.960 -0.000 0.000 0.300 207 G HA3 0.302 4.262 3.960 -0.000 0.000 0.300 207 G C -2.015 172.923 174.900 0.062 0.000 1.582 207 G CA -0.995 44.169 45.100 0.108 0.000 0.875 207 G HN -0.177 nan 8.290 nan 0.000 0.628 208 D N -0.774 119.641 120.400 0.024 0.000 2.388 208 D HA 0.639 5.279 4.640 -0.000 0.000 0.254 208 D C -0.187 176.100 176.300 -0.023 0.000 1.111 208 D CA -0.250 53.746 54.000 -0.006 0.000 0.993 208 D CB 2.247 43.028 40.800 -0.032 0.000 1.118 208 D HN 0.345 nan 8.370 nan 0.000 0.502 209 V N 0.917 120.815 119.914 -0.026 0.000 2.653 209 V HA 0.263 4.383 4.120 -0.000 0.000 0.298 209 V C -0.298 175.775 176.094 -0.035 0.000 1.097 209 V CA -0.632 61.653 62.300 -0.025 0.000 0.908 209 V CB 1.540 33.375 31.823 0.019 0.000 1.024 209 V HN 0.403 nan 8.190 nan 0.000 0.435 210 M N 4.290 123.846 119.600 -0.072 0.000 2.598 210 M HA 0.613 5.093 4.480 -0.000 0.000 0.317 210 M C -0.396 175.851 176.300 -0.089 0.000 1.201 210 M CA -0.824 54.428 55.300 -0.080 0.000 0.971 210 M CB 1.991 34.526 32.600 -0.108 0.000 1.657 210 M HN 0.553 nan 8.290 nan 0.000 0.470 211 L N 0.910 122.056 121.223 -0.129 0.000 2.543 211 L HA 0.872 5.212 4.340 -0.000 0.000 0.231 211 L C -0.042 176.744 176.870 -0.139 0.000 1.194 211 L CA 0.361 55.065 54.840 -0.226 0.000 0.823 211 L CB 1.170 43.035 42.059 -0.322 0.000 1.374 211 L HN 0.767 nan 8.230 nan 0.000 0.507 212 G N -0.007 108.713 108.800 -0.133 0.000 2.658 212 G HA2 0.407 4.367 3.960 -0.000 0.000 0.301 212 G HA3 0.407 4.367 3.960 -0.000 0.000 0.301 212 G C -2.166 172.730 174.900 -0.005 0.000 1.481 212 G CA -0.286 44.789 45.100 -0.042 0.000 0.931 212 G HN 0.754 nan 8.290 nan 0.000 0.573 213 D N 0.262 120.675 120.400 0.022 0.000 2.499 213 D HA 0.346 4.986 4.640 -0.000 0.000 0.225 213 D C -0.624 175.730 176.300 0.090 0.000 1.124 213 D CA -0.787 53.234 54.000 0.034 0.000 0.938 213 D CB 0.951 41.754 40.800 0.004 0.000 1.014 213 D HN 0.307 nan 8.370 nan 0.000 0.517 214 Y N 2.419 122.721 120.300 0.005 0.000 2.341 214 Y HA 0.290 4.840 4.550 -0.000 0.000 0.340 214 Y C 1.087 177.002 175.900 0.024 0.000 0.997 214 Y CA -1.081 57.031 58.100 0.020 0.000 1.149 214 Y CB 0.782 39.260 38.460 0.031 0.000 1.171 214 Y HN 0.539 nan 8.280 nan 0.000 0.494 215 R N 4.593 124.689 120.500 -0.672 0.000 3.416 215 R HA -0.208 4.132 4.340 -0.000 0.000 0.263 215 R C 0.717 176.856 176.300 -0.268 0.000 1.053 215 R CA 1.077 56.819 56.100 -0.596 0.000 0.705 215 R CB -1.629 28.060 30.300 -1.018 0.000 1.124 215 R HN 1.607 nan 8.270 nan 0.000 0.444 216 G N -0.468 108.245 108.800 -0.145 0.000 2.149 216 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.235 216 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.235 216 G C -0.493 174.389 174.900 -0.030 0.000 1.018 216 G CA 0.272 45.331 45.100 -0.068 0.000 0.728 216 G HN 0.927 nan 8.290 nan 0.000 0.508 217 N N -1.605 117.089 118.700 -0.009 0.000 2.961 217 N HA 0.305 5.045 4.740 -0.000 0.000 0.245 217 N C -0.504 175.040 175.510 0.056 0.000 1.404 217 N CA -0.966 52.103 53.050 0.032 0.000 0.880 217 N CB 0.771 39.288 38.487 0.049 0.000 1.461 217 N HN 0.141 nan 8.380 nan 0.000 0.510 218 K N -0.148 120.286 120.400 0.056 0.000 2.234 218 K HA 0.460 4.780 4.320 -0.000 0.000 0.251 218 K C -0.511 176.140 176.600 0.084 0.000 1.011 218 K CA -0.285 56.014 56.287 0.021 0.000 0.889 218 K CB 0.566 33.087 32.500 0.035 0.000 1.011 218 K HN 0.396 nan 8.250 nan 0.000 0.505 219 V N -0.489 119.439 119.914 0.024 0.000 3.155 219 V HA 0.413 4.533 4.120 -0.000 0.000 0.272 219 V C -1.908 174.209 176.094 0.038 0.000 1.639 219 V CA -0.714 61.641 62.300 0.093 0.000 1.006 219 V CB 2.003 33.889 31.823 0.106 0.000 1.244 219 V HN 0.933 nan 8.190 nan 0.000 0.458 220 A N 3.633 126.511 122.820 0.097 0.000 2.320 220 A HA 0.904 5.224 4.320 -0.000 0.000 0.334 220 A C -0.964 176.630 177.584 0.017 0.000 1.147 220 A CA -0.465 51.616 52.037 0.073 0.000 0.820 220 A CB 1.861 20.944 19.000 0.139 0.000 1.218 220 A HN 1.456 nan 8.150 nan 0.000 0.482 221 V N 2.673 122.573 119.914 -0.023 0.000 2.380 221 V HA 0.258 4.378 4.120 -0.000 0.000 0.268 221 V C 0.067 176.102 176.094 -0.098 0.000 1.008 221 V CA -0.606 61.655 62.300 -0.064 0.000 0.823 221 V CB 0.609 32.358 31.823 -0.123 0.000 1.053 221 V HN 0.964 nan 8.190 nan 0.000 0.446 222 K N 3.080 123.462 120.400 -0.030 0.000 2.154 222 K HA 0.605 4.925 4.320 -0.000 0.000 0.264 222 K C -0.214 176.391 176.600 0.009 0.000 1.008 222 K CA -0.273 56.007 56.287 -0.012 0.000 0.937 222 K CB 1.388 33.905 32.500 0.028 0.000 1.002 222 K HN 0.775 nan 8.250 nan 0.000 0.469 223 C N 4.301 123.610 119.300 0.015 0.000 2.561 223 C HA 0.645 5.105 4.460 -0.000 0.000 0.319 223 C C -0.504 174.550 174.990 0.106 0.000 1.198 223 C CA -0.917 58.147 59.018 0.077 0.000 1.665 223 C CB 0.008 27.761 27.740 0.022 0.000 2.258 223 C HN 0.823 nan 8.230 nan 0.000 0.493 224 I N 4.736 125.389 120.570 0.139 0.000 2.330 224 I HA 0.301 4.471 4.170 -0.000 0.000 0.286 224 I C 0.428 176.626 176.117 0.134 0.000 1.025 224 I CA -0.193 61.196 61.300 0.149 0.000 1.197 224 I CB 0.892 39.003 38.000 0.185 0.000 1.358 224 I HN 0.750 nan 8.210 nan 0.000 0.467 225 K N 3.875 124.356 120.400 0.135 0.000 2.143 225 K HA 0.069 4.389 4.320 -0.000 0.000 0.239 225 K C 0.849 177.534 176.600 0.142 0.000 1.048 225 K CA -0.420 55.937 56.287 0.116 0.000 0.867 225 K CB 0.143 32.689 32.500 0.077 0.000 1.088 225 K HN 0.559 nan 8.250 nan 0.000 0.510 226 N N 1.990 120.780 118.700 0.151 0.000 2.691 226 N HA -0.218 4.522 4.740 -0.000 0.000 0.277 226 N C -1.487 174.176 175.510 0.255 0.000 1.029 226 N CA 0.782 53.962 53.050 0.217 0.000 0.798 226 N CB -0.795 37.756 38.487 0.106 0.000 0.922 226 N HN 0.590 nan 8.380 nan 0.000 0.562 227 D N -0.177 120.366 120.400 0.239 0.000 2.714 227 D HA 0.461 5.101 4.640 -0.000 0.000 0.264 227 D C 0.897 177.238 176.300 0.069 0.000 1.231 227 D CA 0.196 54.298 54.000 0.169 0.000 0.802 227 D CB 0.354 41.230 40.800 0.128 0.000 1.319 227 D HN 0.331 nan 8.370 nan 0.000 0.528 228 A N 0.921 123.772 122.820 0.051 0.000 1.908 228 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 228 A C 1.882 179.280 177.584 -0.310 0.000 1.181 228 A CA 2.296 54.167 52.037 -0.276 0.000 0.627 228 A CB -0.481 18.164 19.000 -0.592 0.000 0.818 228 A HN 0.491 nan 8.150 nan 0.000 0.445 229 T N -4.951 109.475 114.554 -0.214 0.000 3.086 229 T HA 0.498 4.848 4.350 -0.000 0.000 0.250 229 T C 1.070 175.643 174.700 -0.211 0.000 1.074 229 T CA 0.994 62.887 62.100 -0.345 0.000 0.988 229 T CB 0.292 68.917 68.868 -0.406 0.000 0.988 229 T HN 1.783 nan 8.240 nan 0.000 0.530 230 A N 0.940 123.714 122.820 -0.076 0.000 3.413 230 A HA -0.345 3.975 4.320 -0.000 0.000 0.268 230 A C 1.570 179.210 177.584 0.094 0.000 1.128 230 A CA 1.622 53.680 52.037 0.035 0.000 1.062 230 A CB -2.515 16.485 19.000 -0.000 0.000 1.121 230 A HN 0.616 nan 8.150 nan 0.000 0.895 231 Q N -0.874 118.935 119.800 0.015 0.000 2.030 231 Q HA -0.109 4.231 4.340 -0.000 0.000 0.204 231 Q C 2.570 178.595 176.000 0.040 0.000 0.986 231 Q CA 2.169 57.982 55.803 0.015 0.000 0.843 231 Q CB -0.356 28.385 28.738 0.004 0.000 0.904 231 Q HN 1.305 nan 8.270 nan 0.000 0.420 232 A N 0.825 123.684 122.820 0.067 0.000 1.917 232 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 232 A C 1.899 179.524 177.584 0.069 0.000 1.182 232 A CA 1.545 53.620 52.037 0.063 0.000 0.633 232 A CB -0.845 18.212 19.000 0.095 0.000 0.819 232 A HN 0.483 nan 8.150 nan 0.000 0.448 233 F N 0.404 120.341 119.950 -0.023 0.000 2.146 233 F HA -0.089 4.438 4.527 -0.000 0.000 0.298 233 F C 1.849 177.622 175.800 -0.045 0.000 1.096 233 F CA 1.620 59.595 58.000 -0.042 0.000 1.275 233 F CB -0.287 38.677 39.000 -0.059 0.000 1.008 233 F HN 0.146 nan 8.300 nan 0.000 0.480 234 L N -0.066 121.044 121.223 -0.187 0.000 2.007 234 L HA -0.100 4.240 4.340 -0.000 0.000 0.205 234 L C 2.894 179.674 176.870 -0.151 0.000 1.073 234 L CA 1.104 55.823 54.840 -0.201 0.000 0.744 234 L CB -1.441 40.629 42.059 0.018 0.000 0.898 234 L HN 0.202 nan 8.230 nan 0.000 0.435 235 A N 0.110 122.875 122.820 -0.091 0.000 1.896 235 A HA -0.344 3.976 4.320 -0.000 0.000 0.220 235 A C 2.248 179.751 177.584 -0.135 0.000 1.206 235 A CA 2.504 54.487 52.037 -0.090 0.000 0.647 235 A CB -0.781 18.182 19.000 -0.061 0.000 0.828 235 A HN 0.524 nan 8.150 nan 0.000 0.455 236 E N -0.795 119.314 120.200 -0.152 0.000 2.152 236 E HA -0.018 4.332 4.350 -0.000 0.000 0.192 236 E C 2.101 178.565 176.600 -0.226 0.000 0.983 236 E CA 0.814 57.118 56.400 -0.159 0.000 0.818 236 E CB -0.198 29.433 29.700 -0.114 0.000 0.758 236 E HN 0.586 nan 8.360 nan 0.000 0.467 237 A N 0.773 123.389 122.820 -0.339 0.000 1.874 237 A HA -0.138 4.182 4.320 -0.000 0.000 0.214 237 A C 2.318 179.797 177.584 -0.174 0.000 1.189 237 A CA 1.563 53.378 52.037 -0.370 0.000 0.615 237 A CB -0.678 17.861 19.000 -0.767 0.000 0.830 237 A HN 0.408 nan 8.150 nan 0.000 0.443 238 S N 0.008 115.662 115.700 -0.076 0.000 2.359 238 S HA -0.165 4.305 4.470 -0.000 0.000 0.224 238 S C 1.766 176.232 174.600 -0.223 0.000 1.035 238 S CA 1.599 59.721 58.200 -0.130 0.000 1.018 238 S CB -1.127 61.999 63.200 -0.123 0.000 0.876 238 S HN 0.233 nan 8.310 nan 0.000 0.448 239 V N 1.939 121.708 119.914 -0.242 0.000 2.343 239 V HA -0.133 3.987 4.120 -0.000 0.000 0.247 239 V C 2.630 178.468 176.094 -0.427 0.000 1.051 239 V CA 2.273 64.370 62.300 -0.338 0.000 1.036 239 V CB -0.710 30.902 31.823 -0.351 0.000 0.654 239 V HN 0.501 nan 8.190 nan 0.000 0.451 240 M N 0.560 119.913 119.600 -0.413 0.000 2.446 240 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 240 M C 1.894 177.858 176.300 -0.559 0.000 1.066 240 M CA 1.740 56.740 55.300 -0.499 0.000 1.087 240 M CB -0.313 32.047 32.600 -0.399 0.000 1.406 240 M HN 0.637 nan 8.290 nan 0.000 0.459 241 T N -3.104 111.115 114.554 -0.560 0.000 3.129 241 T HA 0.038 4.388 4.350 -0.000 0.000 0.251 241 T C 1.127 175.716 174.700 -0.185 0.000 1.117 241 T CA 0.346 62.053 62.100 -0.656 0.000 1.034 241 T CB -0.021 68.439 68.868 -0.681 0.000 0.968 241 T HN 0.534 nan 8.240 nan 0.000 0.526 242 Q N 0.125 119.805 119.800 -0.199 0.000 2.214 242 Q HA 0.416 4.756 4.340 -0.000 0.000 0.229 242 Q C -0.042 175.955 176.000 -0.004 0.000 0.835 242 Q CA -0.090 55.689 55.803 -0.040 0.000 0.953 242 Q CB 0.788 29.524 28.738 -0.004 0.000 1.131 242 Q HN 0.477 nan 8.270 nan 0.000 0.501 243 L N 1.154 122.272 121.223 -0.175 0.000 2.322 243 L HA 0.574 4.914 4.340 -0.000 0.000 0.279 243 L C -0.180 176.608 176.870 -0.137 0.000 1.036 243 L CA -0.633 54.126 54.840 -0.135 0.000 0.807 243 L CB 1.370 43.138 42.059 -0.486 0.000 1.226 243 L HN -0.042 nan 8.230 nan 0.000 0.433 244 R N 3.022 123.452 120.500 -0.118 0.000 2.867 244 R HA 0.318 4.658 4.340 -0.000 0.000 0.288 244 R C -1.800 174.298 176.300 -0.337 0.000 1.360 244 R CA -0.500 55.512 56.100 -0.146 0.000 1.042 244 R CB 0.785 31.098 30.300 0.021 0.000 1.287 244 R HN 0.765 nan 8.270 nan 0.000 0.404 245 H N 1.847 120.614 119.070 -0.505 0.000 3.129 245 H HA 0.104 4.660 4.556 -0.000 0.000 0.342 245 H C -0.245 174.924 175.328 -0.265 0.000 1.092 245 H CA -0.261 55.483 56.048 -0.507 0.000 1.310 245 H CB 2.210 31.350 29.762 -1.037 0.000 1.932 245 H HN 0.527 nan 8.280 nan 0.000 0.507 246 S N 2.522 117.906 115.700 -0.527 0.000 2.478 246 S HA -0.158 4.312 4.470 -0.000 0.000 0.256 246 S C 0.921 175.513 174.600 -0.013 0.000 1.003 246 S CA 1.357 59.408 58.200 -0.248 0.000 0.976 246 S CB -0.110 62.910 63.200 -0.300 0.000 0.751 246 S HN 0.544 nan 8.310 nan 0.000 0.513 247 N N 0.515 119.364 118.700 0.249 0.000 2.416 247 N HA 0.328 5.068 4.740 -0.000 0.000 0.267 247 N C -0.994 174.587 175.510 0.120 0.000 1.294 247 N CA 0.076 53.231 53.050 0.175 0.000 0.891 247 N CB 0.832 39.439 38.487 0.200 0.000 1.238 247 N HN 0.290 nan 8.380 nan 0.000 0.508 248 L N 0.820 122.098 121.223 0.091 0.000 2.436 248 L HA 0.422 4.762 4.340 -0.000 0.000 0.268 248 L C -0.107 176.820 176.870 0.095 0.000 0.974 248 L CA -0.997 53.923 54.840 0.133 0.000 0.826 248 L CB 2.903 44.929 42.059 -0.054 0.000 1.291 248 L HN -0.254 nan 8.230 nan 0.000 0.406 249 V N 2.280 122.313 119.914 0.199 0.000 2.475 249 V HA -0.066 4.054 4.120 -0.000 0.000 0.292 249 V C 0.412 176.535 176.094 0.048 0.000 1.003 249 V CA 0.099 62.464 62.300 0.109 0.000 1.120 249 V CB 0.571 32.470 31.823 0.128 0.000 0.937 249 V HN 0.712 nan 8.190 nan 0.000 0.476 250 Q N 3.991 123.791 119.800 0.001 0.000 2.304 250 Q HA 0.330 4.670 4.340 -0.000 0.000 0.260 250 Q C -0.677 175.311 176.000 -0.020 0.000 0.965 250 Q CA -0.226 55.559 55.803 -0.028 0.000 0.898 250 Q CB 1.198 29.936 28.738 0.000 0.000 1.196 250 Q HN 0.686 nan 8.270 nan 0.000 0.402 251 L N 5.081 126.248 121.223 -0.093 0.000 2.360 251 L HA 0.162 4.502 4.340 -0.000 0.000 0.276 251 L C -0.251 176.650 176.870 0.052 0.000 1.121 251 L CA 0.643 55.404 54.840 -0.132 0.000 0.845 251 L CB 0.396 42.197 42.059 -0.430 0.000 1.143 251 L HN 0.952 nan 8.230 nan 0.000 0.452 252 L N 4.701 125.979 121.223 0.093 0.000 2.463 252 L HA 0.459 4.799 4.340 -0.000 0.000 0.219 252 L C 0.928 177.952 176.870 0.256 0.000 1.088 252 L CA 0.470 55.415 54.840 0.175 0.000 0.849 252 L CB -0.141 41.942 42.059 0.039 0.000 1.012 252 L HN 0.881 nan 8.230 nan 0.000 0.468 253 G N -0.894 108.025 108.800 0.199 0.000 2.325 253 G HA2 0.311 4.271 3.960 -0.000 0.000 0.297 253 G HA3 0.311 4.271 3.960 -0.000 0.000 0.297 253 G C -2.248 172.715 174.900 0.106 0.000 1.448 253 G CA -0.373 44.888 45.100 0.269 0.000 0.838 253 G HN -0.283 nan 8.290 nan 0.000 0.579 254 V N 0.109 120.096 119.914 0.122 0.000 2.864 254 V HA 0.871 4.991 4.120 -0.000 0.000 0.314 254 V C -0.679 175.440 176.094 0.042 0.000 1.073 254 V CA -1.078 61.234 62.300 0.020 0.000 0.956 254 V CB 1.718 33.419 31.823 -0.203 0.000 1.023 254 V HN 0.697 nan 8.190 nan 0.000 0.435 255 I N 5.278 125.876 120.570 0.046 0.000 2.447 255 I HA 0.452 4.622 4.170 -0.000 0.000 0.287 255 I C -1.007 175.031 176.117 -0.132 0.000 1.023 255 I CA -0.741 60.550 61.300 -0.016 0.000 1.083 255 I CB 2.108 40.121 38.000 0.023 0.000 1.245 255 I HN 0.297 nan 8.210 nan 0.000 0.434 256 V N 5.423 125.259 119.914 -0.130 0.000 2.315 256 V HA 0.232 4.352 4.120 -0.000 0.000 0.265 256 V C 0.107 176.100 176.094 -0.168 0.000 1.019 256 V CA -0.713 61.479 62.300 -0.180 0.000 0.824 256 V CB 0.485 32.263 31.823 -0.075 0.000 1.072 256 V HN 0.709 nan 8.190 nan 0.000 0.448 257 E N 2.934 122.985 120.200 -0.249 0.000 2.413 257 E HA 0.018 4.368 4.350 -0.000 0.000 0.263 257 E C 0.972 177.500 176.600 -0.120 0.000 1.015 257 E CA -0.086 56.206 56.400 -0.180 0.000 0.916 257 E CB 0.902 30.465 29.700 -0.228 0.000 0.947 257 E HN 0.674 nan 8.360 nan 0.000 0.440 258 E N 4.394 124.554 120.200 -0.068 0.000 2.204 258 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 258 E C 0.837 177.424 176.600 -0.022 0.000 0.990 258 E CA 1.362 57.745 56.400 -0.029 0.000 0.821 258 E CB -0.145 29.546 29.700 -0.015 0.000 0.750 258 E HN 0.402 nan 8.360 nan 0.000 0.477 259 K N 0.134 120.510 120.400 -0.040 0.000 2.148 259 K HA 0.011 4.331 4.320 -0.000 0.000 0.204 259 K C 1.162 177.748 176.600 -0.024 0.000 1.050 259 K CA 1.093 57.367 56.287 -0.022 0.000 0.942 259 K CB -0.001 32.487 32.500 -0.020 0.000 0.724 259 K HN 0.398 nan 8.250 nan 0.000 0.446 260 G N 0.480 109.235 108.800 -0.074 0.000 2.174 260 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.140 260 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.140 260 G C 0.092 174.884 174.900 -0.180 0.000 1.031 260 G CA -0.486 44.561 45.100 -0.088 0.000 0.728 260 G HN 0.418 nan 8.290 nan 0.000 0.496 261 G N 0.015 108.647 108.800 -0.280 0.000 2.395 261 G HA2 0.621 4.581 3.960 -0.000 0.000 0.283 261 G HA3 0.621 4.581 3.960 -0.000 0.000 0.283 261 G C -0.160 174.309 174.900 -0.718 0.000 1.178 261 G CA -0.548 44.258 45.100 -0.489 0.000 0.837 261 G HN 0.634 nan 8.290 nan 0.000 0.518 262 L N 2.430 123.211 121.223 -0.737 0.000 2.377 262 L HA 0.407 4.747 4.340 -0.000 0.000 0.270 262 L C -0.926 175.712 176.870 -0.387 0.000 0.991 262 L CA -0.650 53.608 54.840 -0.970 0.000 0.851 262 L CB 1.000 42.182 42.059 -1.462 0.000 1.218 262 L HN 0.534 nan 8.230 nan 0.000 0.420 263 Y N 3.291 123.446 120.300 -0.240 0.000 2.524 263 Y HA 0.648 5.198 4.550 -0.000 0.000 0.344 263 Y C -0.039 175.935 175.900 0.124 0.000 1.012 263 Y CA -1.244 56.843 58.100 -0.022 0.000 1.068 263 Y CB 3.068 41.505 38.460 -0.038 0.000 1.249 263 Y HN 0.328 nan 8.280 nan 0.000 0.468 264 I N 3.085 123.817 120.570 0.270 0.000 2.447 264 I HA 0.295 4.465 4.170 -0.000 0.000 0.287 264 I C -1.133 175.024 176.117 0.065 0.000 1.023 264 I CA -0.943 60.440 61.300 0.138 0.000 1.083 264 I CB 1.876 39.933 38.000 0.094 0.000 1.245 264 I HN 0.246 nan 8.210 nan 0.000 0.434 265 V N 5.362 125.294 119.914 0.030 0.000 2.350 265 V HA 0.404 4.524 4.120 -0.000 0.000 0.276 265 V C 0.511 176.605 176.094 0.000 0.000 1.028 265 V CA -0.294 62.005 62.300 -0.000 0.000 0.860 265 V CB 1.184 32.974 31.823 -0.055 0.000 0.990 265 V HN 0.890 nan 8.190 nan 0.000 0.453 266 T N 1.547 116.114 114.554 0.021 0.000 2.841 266 T HA 0.629 4.979 4.350 -0.000 0.000 0.276 266 T C -0.159 174.581 174.700 0.067 0.000 1.003 266 T CA -0.819 61.302 62.100 0.035 0.000 0.995 266 T CB 1.800 70.690 68.868 0.038 0.000 1.260 266 T HN 0.761 nan 8.240 nan 0.000 0.581 267 E N 0.099 120.342 120.200 0.071 0.000 2.374 267 E HA 0.212 4.562 4.350 -0.000 0.000 0.260 267 E C -1.235 175.448 176.600 0.138 0.000 1.101 267 E CA -0.927 55.532 56.400 0.098 0.000 0.907 267 E CB 0.317 30.055 29.700 0.063 0.000 1.014 267 E HN 0.580 nan 8.360 nan 0.000 0.427 268 Y N 2.716 123.026 120.300 0.016 0.000 2.436 268 Y HA 0.155 4.705 4.550 -0.000 0.000 0.343 268 Y C -0.540 175.356 175.900 -0.006 0.000 1.008 268 Y CA -1.149 56.955 58.100 0.006 0.000 1.241 268 Y CB 0.762 39.230 38.460 0.014 0.000 1.153 268 Y HN 0.463 nan 8.280 nan 0.000 0.521 269 M N 7.411 126.750 119.600 -0.436 0.000 3.028 269 M HA 0.275 4.755 4.480 -0.000 0.000 0.296 269 M C 1.266 177.109 176.300 -0.761 0.000 1.314 269 M CA -0.288 54.731 55.300 -0.467 0.000 1.383 269 M CB -0.209 32.249 32.600 -0.236 0.000 1.128 269 M HN 0.879 nan 8.290 nan 0.000 0.544 270 A N 2.372 124.532 122.820 -1.101 0.000 2.148 270 A HA -0.152 4.168 4.320 -0.000 0.000 0.222 270 A C 1.590 178.990 177.584 -0.307 0.000 1.161 270 A CA 1.584 53.106 52.037 -0.859 0.000 0.662 270 A CB -0.209 18.529 19.000 -0.437 0.000 0.799 270 A HN 0.660 nan 8.150 nan 0.000 0.466 271 K N -0.710 119.531 120.400 -0.264 0.000 2.514 271 K HA 0.376 4.696 4.320 -0.000 0.000 0.207 271 K C 0.842 177.381 176.600 -0.102 0.000 1.035 271 K CA 0.335 56.536 56.287 -0.144 0.000 1.113 271 K CB -0.018 32.360 32.500 -0.204 0.000 0.846 271 K HN 0.605 nan 8.250 nan 0.000 0.491 272 G N 2.142 110.877 108.800 -0.108 0.000 2.698 272 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.233 272 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.233 272 G C -0.055 174.787 174.900 -0.096 0.000 1.352 272 G CA -0.185 44.879 45.100 -0.060 0.000 0.879 272 G HN 0.379 nan 8.290 nan 0.000 0.567 273 S N -0.627 115.037 115.700 -0.060 0.000 2.614 273 S HA 0.544 5.014 4.470 -0.000 0.000 0.265 273 S C 1.569 176.117 174.600 -0.086 0.000 1.303 273 S CA 0.017 58.163 58.200 -0.089 0.000 1.000 273 S CB 1.531 64.693 63.200 -0.063 0.000 0.935 273 S HN 1.481 nan 8.310 nan 0.000 0.551 274 L N 1.509 122.649 121.223 -0.138 0.000 2.044 274 L HA -0.008 4.332 4.340 -0.000 0.000 0.205 274 L C 2.368 179.223 176.870 -0.025 0.000 1.075 274 L CA 1.617 56.368 54.840 -0.149 0.000 0.747 274 L CB -1.296 40.619 42.059 -0.240 0.000 0.903 274 L HN 0.730 nan 8.230 nan 0.000 0.435 275 V N 0.811 120.714 119.914 -0.019 0.000 2.317 275 V HA -0.340 3.780 4.120 -0.000 0.000 0.251 275 V C 2.321 178.453 176.094 0.063 0.000 1.065 275 V CA 2.236 64.555 62.300 0.033 0.000 1.049 275 V CB -0.537 31.309 31.823 0.038 0.000 0.651 275 V HN 0.496 nan 8.190 nan 0.000 0.450 276 D N -1.744 118.694 120.400 0.062 0.000 2.137 276 D HA -0.135 4.505 4.640 -0.000 0.000 0.202 276 D C 1.945 178.306 176.300 0.102 0.000 0.970 276 D CA 1.065 55.111 54.000 0.076 0.000 0.837 276 D CB -0.279 40.561 40.800 0.066 0.000 0.981 276 D HN 0.541 nan 8.370 nan 0.000 0.475 277 Y N 1.816 122.108 120.300 -0.013 0.000 2.256 277 Y HA -0.135 4.415 4.550 -0.000 0.000 0.288 277 Y C 2.094 178.026 175.900 0.054 0.000 1.155 277 Y CA 1.145 59.249 58.100 0.006 0.000 1.203 277 Y CB -0.302 38.132 38.460 -0.043 0.000 0.980 277 Y HN -0.092 nan 8.280 nan 0.000 0.530 278 L N -0.708 120.575 121.223 0.099 0.000 2.376 278 L HA -0.096 4.244 4.340 -0.000 0.000 0.219 278 L C 2.118 179.057 176.870 0.115 0.000 1.133 278 L CA 0.954 55.833 54.840 0.065 0.000 0.816 278 L CB -0.276 41.795 42.059 0.020 0.000 0.933 278 L HN 0.160 nan 8.230 nan 0.000 0.449 279 R N -0.768 119.771 120.500 0.066 0.000 2.142 279 R HA 0.004 4.344 4.340 -0.000 0.000 0.204 279 R C 2.609 178.915 176.300 0.010 0.000 1.059 279 R CA 0.973 57.110 56.100 0.062 0.000 1.055 279 R CB -0.181 30.159 30.300 0.066 0.000 0.976 279 R HN 0.273 nan 8.270 nan 0.000 0.483 280 S N 1.171 116.861 115.700 -0.017 0.000 2.400 280 S HA -0.095 4.375 4.470 -0.000 0.000 0.232 280 S C 0.831 175.375 174.600 -0.092 0.000 1.025 280 S CA 0.721 58.898 58.200 -0.039 0.000 0.993 280 S CB -0.062 63.125 63.200 -0.022 0.000 0.808 280 S HN 0.150 nan 8.310 nan 0.000 0.478 281 R N 0.986 121.386 120.500 -0.168 0.000 2.422 281 R HA 0.564 4.904 4.340 -0.000 0.000 0.307 281 R C 0.464 176.733 176.300 -0.052 0.000 1.004 281 R CA -0.154 55.838 56.100 -0.181 0.000 0.882 281 R CB 1.644 31.702 30.300 -0.403 0.000 1.164 281 R HN 0.335 nan 8.270 nan 0.000 0.489 282 G N 0.998 109.775 108.800 -0.037 0.000 2.630 282 G HA2 0.086 4.046 3.960 -0.000 0.000 0.223 282 G HA3 0.086 4.046 3.960 -0.000 0.000 0.223 282 G C 0.656 175.423 174.900 -0.221 0.000 1.434 282 G CA -0.586 44.474 45.100 -0.068 0.000 1.057 282 G HN 0.499 nan 8.290 nan 0.000 0.570 283 R N -0.257 119.754 120.500 -0.814 0.000 2.170 283 R HA -0.124 4.216 4.340 -0.000 0.000 0.242 283 R C 2.724 178.874 176.300 -0.250 0.000 1.145 283 R CA 1.684 57.297 56.100 -0.812 0.000 0.984 283 R CB -0.287 29.527 30.300 -0.810 0.000 0.869 283 R HN 0.474 nan 8.270 nan 0.000 0.455 284 S N -0.654 114.936 115.700 -0.183 0.000 2.561 284 S HA 0.026 4.496 4.470 -0.000 0.000 0.225 284 S C 1.686 176.257 174.600 -0.049 0.000 0.977 284 S CA 0.396 58.538 58.200 -0.096 0.000 0.926 284 S CB 0.378 63.525 63.200 -0.089 0.000 0.769 284 S HN 0.054 nan 8.310 nan 0.000 0.533 285 V N 0.526 120.422 119.914 -0.029 0.000 2.996 285 V HA 0.338 4.458 4.120 -0.000 0.000 0.235 285 V C 0.713 176.828 176.094 0.036 0.000 1.205 285 V CA 0.132 62.429 62.300 -0.006 0.000 1.225 285 V CB -0.237 31.563 31.823 -0.038 0.000 0.995 285 V HN 0.405 nan 8.190 nan 0.000 0.484 286 L N 2.626 123.917 121.223 0.114 0.000 2.454 286 L HA 0.423 4.763 4.340 -0.000 0.000 0.284 286 L C 0.959 177.896 176.870 0.112 0.000 1.139 286 L CA -0.036 54.881 54.840 0.129 0.000 0.911 286 L CB -0.277 41.908 42.059 0.210 0.000 1.262 286 L HN 0.310 nan 8.230 nan 0.000 0.453 287 G N 1.763 110.580 108.800 0.029 0.000 2.491 287 G HA2 0.260 4.220 3.960 -0.000 0.000 0.242 287 G HA3 0.260 4.220 3.960 -0.000 0.000 0.242 287 G C 1.081 175.985 174.900 0.006 0.000 1.266 287 G CA 0.048 45.161 45.100 0.022 0.000 0.844 287 G HN 0.770 nan 8.290 nan 0.000 0.571 288 G N 0.856 109.685 108.800 0.047 0.000 2.505 288 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.220 288 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.220 288 G C 1.430 176.416 174.900 0.142 0.000 1.145 288 G CA 1.425 46.581 45.100 0.092 0.000 0.761 288 G HN 0.620 nan 8.290 nan 0.000 0.571 289 D N -0.254 120.230 120.400 0.140 0.000 2.104 289 D HA -0.138 4.502 4.640 -0.000 0.000 0.194 289 D C 2.474 178.761 176.300 -0.022 0.000 0.994 289 D CA 1.217 55.329 54.000 0.186 0.000 0.830 289 D CB -0.742 40.133 40.800 0.124 0.000 0.959 289 D HN 0.233 nan 8.370 nan 0.000 0.452 290 C N 0.107 119.327 119.300 -0.133 0.000 2.413 290 C HA -0.098 4.362 4.460 -0.000 0.000 0.276 290 C C 2.936 177.598 174.990 -0.547 0.000 1.248 290 C CA 0.547 59.346 59.018 -0.365 0.000 1.742 290 C CB -1.404 26.130 27.740 -0.344 0.000 2.017 290 C HN 0.396 nan 8.230 nan 0.000 0.481 291 L N 0.152 121.147 121.223 -0.380 0.000 2.191 291 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 291 L C 2.448 179.198 176.870 -0.199 0.000 1.103 291 L CA 0.896 55.476 54.840 -0.434 0.000 0.769 291 L CB -0.667 40.956 42.059 -0.726 0.000 0.908 291 L HN 0.376 nan 8.230 nan 0.000 0.438 292 L N -0.433 120.744 121.223 -0.077 0.000 2.072 292 L HA -0.116 4.224 4.340 -0.000 0.000 0.205 292 L C 2.550 179.412 176.870 -0.012 0.000 1.079 292 L CA 1.654 56.492 54.840 -0.004 0.000 0.752 292 L CB -0.497 41.469 42.059 -0.154 0.000 0.906 292 L HN 0.026 nan 8.230 nan 0.000 0.436 293 K N -0.465 119.880 120.400 -0.092 0.000 2.032 293 K HA -0.164 4.156 4.320 -0.000 0.000 0.209 293 K C 2.219 178.896 176.600 0.129 0.000 1.048 293 K CA 1.892 58.157 56.287 -0.035 0.000 0.927 293 K CB -0.701 31.724 32.500 -0.125 0.000 0.712 293 K HN 0.382 nan 8.250 nan 0.000 0.441 294 F N 1.277 121.224 119.950 -0.005 0.000 2.171 294 F HA -0.197 4.330 4.527 -0.000 0.000 0.300 294 F C 2.537 178.368 175.800 0.051 0.000 1.090 294 F CA 0.381 58.377 58.000 -0.006 0.000 1.293 294 F CB -0.097 38.871 39.000 -0.053 0.000 1.013 294 F HN 0.014 nan 8.300 nan 0.000 0.486 295 S N 0.679 116.539 115.700 0.267 0.000 2.382 295 S HA -0.136 4.334 4.470 -0.000 0.000 0.228 295 S C 1.962 176.749 174.600 0.312 0.000 1.027 295 S CA 0.859 59.233 58.200 0.290 0.000 0.991 295 S CB -0.382 62.985 63.200 0.279 0.000 0.823 295 S HN 0.290 nan 8.310 nan 0.000 0.469 296 L N 1.255 122.600 121.223 0.203 0.000 2.044 296 L HA -0.097 4.243 4.340 -0.000 0.000 0.205 296 L C 2.274 179.234 176.870 0.150 0.000 1.075 296 L CA 1.093 56.024 54.840 0.152 0.000 0.747 296 L CB -0.621 41.492 42.059 0.091 0.000 0.903 296 L HN 0.230 nan 8.230 nan 0.000 0.435 297 D N -0.077 120.422 120.400 0.164 0.000 2.127 297 D HA -0.201 4.439 4.640 -0.000 0.000 0.190 297 D C 2.188 178.565 176.300 0.129 0.000 1.000 297 D CA 1.672 55.759 54.000 0.145 0.000 0.839 297 D CB -0.232 40.662 40.800 0.157 0.000 0.955 297 D HN 0.091 nan 8.370 nan 0.000 0.446 298 V N 0.960 120.973 119.914 0.165 0.000 2.233 298 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 298 V C 2.812 178.968 176.094 0.103 0.000 1.050 298 V CA 1.734 64.135 62.300 0.168 0.000 1.010 298 V CB -0.866 31.149 31.823 0.321 0.000 0.637 298 V HN 0.372 nan 8.190 nan 0.000 0.444 299 C N 0.170 119.556 119.300 0.142 0.000 2.363 299 C HA -0.281 4.179 4.460 -0.000 0.000 0.274 299 C C 2.786 177.695 174.990 -0.134 0.000 1.183 299 C CA 2.149 61.070 59.018 -0.162 0.000 1.771 299 C CB -1.176 26.510 27.740 -0.090 0.000 2.059 299 C HN 0.675 nan 8.230 nan 0.000 0.455 300 E N -0.038 120.144 120.200 -0.031 0.000 2.058 300 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 300 E C 2.436 178.906 176.600 -0.216 0.000 0.997 300 E CA 1.452 57.831 56.400 -0.036 0.000 0.801 300 E CB -0.382 29.378 29.700 0.101 0.000 0.746 300 E HN 0.772 nan 8.360 nan 0.000 0.450 301 A N 1.221 123.911 122.820 -0.216 0.000 1.917 301 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 301 A C 2.120 179.546 177.584 -0.264 0.000 1.182 301 A CA 1.648 53.499 52.037 -0.310 0.000 0.633 301 A CB -0.367 18.575 19.000 -0.097 0.000 0.819 301 A HN 0.145 nan 8.150 nan 0.000 0.448 302 M N -0.796 118.587 119.600 -0.361 0.000 2.229 302 M HA -0.072 4.408 4.480 -0.000 0.000 0.264 302 M C 1.903 177.817 176.300 -0.645 0.000 1.063 302 M CA 1.258 56.124 55.300 -0.724 0.000 1.114 302 M CB -1.437 30.276 32.600 -1.478 0.000 1.387 302 M HN 0.612 nan 8.290 nan 0.000 0.420 303 E N -0.636 119.367 120.200 -0.327 0.000 2.058 303 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 303 E C 2.028 178.595 176.600 -0.055 0.000 0.997 303 E CA 1.335 57.691 56.400 -0.075 0.000 0.801 303 E CB -0.205 29.494 29.700 -0.003 0.000 0.746 303 E HN 0.485 nan 8.360 nan 0.000 0.450 304 Y N 1.271 121.440 120.300 -0.218 0.000 2.081 304 Y HA -0.287 4.263 4.550 -0.000 0.000 0.280 304 Y C 2.022 177.888 175.900 -0.057 0.000 1.163 304 Y CA 1.830 59.835 58.100 -0.157 0.000 1.135 304 Y CB -0.252 38.008 38.460 -0.333 0.000 0.970 304 Y HN 0.022 nan 8.280 nan 0.000 0.498 305 L N 0.043 121.328 121.223 0.103 0.000 1.989 305 L HA -0.263 4.077 4.340 -0.000 0.000 0.211 305 L C 2.588 179.487 176.870 0.048 0.000 1.071 305 L CA 2.130 57.059 54.840 0.150 0.000 0.749 305 L CB -0.824 41.324 42.059 0.148 0.000 0.890 305 L HN 0.346 nan 8.230 nan 0.000 0.431 306 E N 0.434 120.642 120.200 0.014 0.000 2.077 306 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 306 E C 2.111 178.688 176.600 -0.038 0.000 0.989 306 E CA 1.236 57.669 56.400 0.055 0.000 0.800 306 E CB -0.211 29.600 29.700 0.186 0.000 0.746 306 E HN 0.460 nan 8.360 nan 0.000 0.452 307 G N 0.204 108.952 108.800 -0.087 0.000 2.498 307 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.219 307 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.219 307 G C 1.217 175.975 174.900 -0.237 0.000 1.119 307 G CA 0.495 45.510 45.100 -0.142 0.000 0.766 307 G HN 0.223 nan 8.290 nan 0.000 0.552 308 N N 0.378 118.899 118.700 -0.298 0.000 2.235 308 N HA 0.040 4.780 4.740 -0.000 0.000 0.231 308 N C -0.091 175.068 175.510 -0.585 0.000 1.177 308 N CA -0.143 52.660 53.050 -0.411 0.000 0.874 308 N CB 0.158 38.398 38.487 -0.413 0.000 1.097 308 N HN 0.373 nan 8.380 nan 0.000 0.518 309 N N 0.146 118.636 118.700 -0.350 0.000 2.758 309 N HA -0.184 4.556 4.740 -0.000 0.000 0.248 309 N C -1.322 173.976 175.510 -0.353 0.000 1.076 309 N CA 0.423 53.285 53.050 -0.314 0.000 0.696 309 N CB -1.253 37.032 38.487 -0.336 0.000 0.979 309 N HN 0.236 nan 8.380 nan 0.000 0.550 310 F N 0.123 120.068 119.950 -0.009 0.000 2.520 310 F HA 0.523 5.050 4.527 0.000 0.000 0.322 310 F C 0.555 176.392 175.800 0.062 0.000 1.103 310 F CA -1.283 56.724 58.000 0.011 0.000 0.926 310 F CB 1.501 40.496 39.000 -0.007 0.000 1.154 310 F HN -0.182 nan 8.300 nan 0.000 0.453 311 V N 0.682 120.775 119.914 0.299 0.000 2.384 311 V HA 0.307 4.427 4.120 -0.000 0.000 0.287 311 V C 0.602 176.845 176.094 0.248 0.000 1.020 311 V CA -0.543 61.923 62.300 0.277 0.000 0.850 311 V CB 1.135 33.132 31.823 0.290 0.000 0.987 311 V HN 0.927 nan 8.190 nan 0.000 0.436 312 H N 5.328 124.507 119.070 0.181 0.000 2.270 312 H HA -0.038 4.518 4.556 -0.000 0.000 0.299 312 H C 1.613 177.005 175.328 0.106 0.000 1.077 312 H CA 2.700 58.826 56.048 0.130 0.000 1.294 312 H CB 0.300 30.128 29.762 0.110 0.000 1.371 312 H HN 0.892 nan 8.280 nan 0.000 0.491 313 R N -1.029 119.743 120.500 0.453 0.000 3.653 313 R HA -0.190 4.150 4.340 -0.000 0.000 0.485 313 R C -0.226 176.299 176.300 0.375 0.000 0.840 313 R CA 1.299 57.646 56.100 0.411 0.000 1.409 313 R CB -1.694 28.597 30.300 -0.015 0.000 2.089 313 R HN 0.407 nan 8.270 nan 0.000 0.482 314 D N 0.266 120.909 120.400 0.404 0.000 2.865 314 D HA 0.150 4.790 4.640 -0.000 0.000 0.347 314 D C -0.923 175.298 176.300 -0.131 0.000 1.498 314 D CA -0.434 53.661 54.000 0.158 0.000 0.787 314 D CB 0.451 41.313 40.800 0.102 0.000 1.190 314 D HN 0.070 nan 8.370 nan 0.000 0.445 315 L N 1.637 122.732 121.223 -0.213 0.000 2.418 315 L HA 0.635 4.975 4.340 -0.000 0.000 0.274 315 L C -0.478 176.264 176.870 -0.214 0.000 1.135 315 L CA 0.350 54.972 54.840 -0.363 0.000 0.870 315 L CB 0.229 42.192 42.059 -0.160 0.000 1.154 315 L HN 0.205 nan 8.230 nan 0.000 0.462 316 A N 3.979 126.608 122.820 -0.318 0.000 2.610 316 A HA 0.728 5.048 4.320 -0.000 0.000 0.291 316 A C 0.428 177.867 177.584 -0.241 0.000 1.086 316 A CA -0.165 51.652 52.037 -0.367 0.000 0.677 316 A CB 0.656 19.144 19.000 -0.853 0.000 1.278 316 A HN 0.979 nan 8.150 nan 0.000 0.414 317 A N 0.175 122.912 122.820 -0.140 0.000 2.121 317 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 317 A C 1.884 179.392 177.584 -0.127 0.000 1.154 317 A CA 1.656 53.635 52.037 -0.098 0.000 0.679 317 A CB -0.549 18.442 19.000 -0.015 0.000 0.795 317 A HN 0.883 nan 8.150 nan 0.000 0.458 318 R N -0.685 119.712 120.500 -0.171 0.000 2.115 318 R HA 0.044 4.384 4.340 -0.000 0.000 0.226 318 R C 0.181 176.365 176.300 -0.192 0.000 1.100 318 R CA 1.207 57.214 56.100 -0.156 0.000 0.980 318 R CB -0.422 29.770 30.300 -0.180 0.000 0.875 318 R HN 0.275 nan 8.270 nan 0.000 0.445 319 N N 1.298 119.847 118.700 -0.251 0.000 2.389 319 N HA 0.146 4.886 4.740 -0.000 0.000 0.237 319 N C -1.067 174.299 175.510 -0.240 0.000 1.148 319 N CA 0.129 53.021 53.050 -0.262 0.000 0.854 319 N CB 1.197 39.507 38.487 -0.296 0.000 1.115 319 N HN -0.009 nan 8.380 nan 0.000 0.492 320 V N 0.926 120.720 119.914 -0.201 0.000 2.876 320 V HA 0.477 4.597 4.120 -0.000 0.000 0.312 320 V C -0.468 175.512 176.094 -0.189 0.000 1.085 320 V CA -0.856 61.332 62.300 -0.187 0.000 0.945 320 V CB 2.597 34.312 31.823 -0.179 0.000 1.017 320 V HN -0.090 nan 8.190 nan 0.000 0.428 321 L N 3.061 124.171 121.223 -0.187 0.000 2.319 321 L HA 0.775 5.115 4.340 -0.000 0.000 0.267 321 L C -0.431 176.283 176.870 -0.261 0.000 1.011 321 L CA -0.506 54.215 54.840 -0.198 0.000 0.818 321 L CB 2.217 44.183 42.059 -0.155 0.000 1.316 321 L HN 0.433 nan 8.230 nan 0.000 0.432 322 V N 0.242 119.976 119.914 -0.301 0.000 2.540 322 V HA 0.642 4.762 4.120 -0.000 0.000 0.302 322 V C 0.066 175.980 176.094 -0.300 0.000 1.035 322 V CA -0.696 61.379 62.300 -0.376 0.000 0.873 322 V CB 1.646 33.112 31.823 -0.595 0.000 0.992 322 V HN 0.899 nan 8.190 nan 0.000 0.428 323 S N 2.840 118.399 115.700 -0.236 0.000 2.671 323 S HA 0.362 4.832 4.470 -0.000 0.000 0.272 323 S C 0.860 175.357 174.600 -0.173 0.000 1.174 323 S CA -0.383 57.695 58.200 -0.203 0.000 1.004 323 S CB 1.105 64.225 63.200 -0.132 0.000 1.077 323 S HN 0.651 nan 8.310 nan 0.000 0.553 324 E N 0.803 120.922 120.200 -0.135 0.000 2.110 324 E HA -0.062 4.288 4.350 -0.000 0.000 0.193 324 E C 0.647 177.224 176.600 -0.039 0.000 0.988 324 E CA 1.403 57.758 56.400 -0.074 0.000 0.804 324 E CB -0.365 29.314 29.700 -0.036 0.000 0.745 324 E HN 0.626 nan 8.360 nan 0.000 0.458 325 D N 0.660 121.039 120.400 -0.035 0.000 2.344 325 D HA 0.027 4.667 4.640 -0.000 0.000 0.242 325 D C -0.253 176.048 176.300 0.001 0.000 1.159 325 D CA 0.047 54.042 54.000 -0.009 0.000 0.859 325 D CB -0.206 40.592 40.800 -0.004 0.000 0.925 325 D HN 0.105 nan 8.370 nan 0.000 0.510 326 N N -0.157 118.529 118.700 -0.023 0.000 2.741 326 N HA -0.156 4.584 4.740 -0.000 0.000 0.250 326 N C -0.535 175.036 175.510 0.101 0.000 1.115 326 N CA 0.294 53.353 53.050 0.016 0.000 0.724 326 N CB -1.259 37.283 38.487 0.092 0.000 1.090 326 N HN 0.129 nan 8.380 nan 0.000 0.558 327 V N 0.698 120.615 119.914 0.005 0.000 2.465 327 V HA 0.585 4.705 4.120 -0.000 0.000 0.279 327 V C 0.901 176.950 176.094 -0.076 0.000 1.045 327 V CA -0.586 61.727 62.300 0.022 0.000 0.938 327 V CB 1.615 33.437 31.823 -0.002 0.000 0.986 327 V HN 0.329 nan 8.190 nan 0.000 0.467 328 A N 5.844 128.623 122.820 -0.068 0.000 2.327 328 A HA 0.748 5.068 4.320 -0.000 0.000 0.283 328 A C -0.058 177.477 177.584 -0.083 0.000 1.127 328 A CA -0.519 51.401 52.037 -0.195 0.000 0.810 328 A CB 0.522 19.357 19.000 -0.276 0.000 1.066 328 A HN 0.832 nan 8.150 nan 0.000 0.492 329 K N 1.734 122.075 120.400 -0.098 0.000 2.535 329 K HA 0.438 4.758 4.320 -0.000 0.000 0.250 329 K C -1.112 175.466 176.600 -0.037 0.000 0.948 329 K CA -0.719 55.550 56.287 -0.029 0.000 0.796 329 K CB 2.240 34.730 32.500 -0.016 0.000 1.216 329 K HN 0.461 nan 8.250 nan 0.000 0.432 330 V N 1.531 121.453 119.914 0.013 0.000 3.096 330 V HA 0.173 4.293 4.120 -0.000 0.000 0.306 330 V C 0.543 176.587 176.094 -0.083 0.000 1.088 330 V CA 0.245 62.528 62.300 -0.029 0.000 1.129 330 V CB 1.413 33.269 31.823 0.056 0.000 1.014 330 V HN 0.897 nan 8.190 nan 0.000 0.486 331 S N 0.153 115.610 115.700 -0.405 0.000 2.880 331 S HA 0.457 4.927 4.470 -0.000 0.000 0.308 331 S C -1.452 172.483 174.600 -1.108 0.000 1.195 331 S CA -0.237 57.481 58.200 -0.803 0.000 0.866 331 S CB 1.152 64.150 63.200 -0.336 0.000 1.254 331 S HN 0.914 nan 8.310 nan 0.000 0.571 332 D N 0.414 120.299 120.400 -0.858 0.000 3.082 332 D HA -0.143 4.497 4.640 -0.000 0.000 0.234 332 D C -0.387 175.490 176.300 -0.706 0.000 1.159 332 D CA 0.832 54.487 54.000 -0.575 0.000 0.875 332 D CB -1.400 39.173 40.800 -0.378 0.000 0.946 332 D HN 0.395 nan 8.370 nan 0.000 0.411 333 F N -0.482 119.311 119.950 -0.263 0.000 2.660 333 F HA 0.304 4.831 4.527 -0.000 0.000 0.302 333 F C 2.397 178.001 175.800 -0.328 0.000 1.103 333 F CA -0.113 57.645 58.000 -0.404 0.000 1.340 333 F CB 0.279 39.061 39.000 -0.364 0.000 1.048 333 F HN 0.365 nan 8.300 nan 0.000 0.551 334 G N 1.149 109.865 108.800 -0.141 0.000 2.513 334 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.219 334 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.219 334 G C 1.601 176.425 174.900 -0.127 0.000 1.160 334 G CA 1.011 46.040 45.100 -0.118 0.000 0.767 334 G HN 0.408 nan 8.290 nan 0.000 0.571 335 L N 0.713 121.841 121.223 -0.157 0.000 2.418 335 L HA 0.078 4.418 4.340 -0.000 0.000 0.218 335 L C 0.964 177.739 176.870 -0.158 0.000 1.125 335 L CA -0.034 54.718 54.840 -0.146 0.000 0.835 335 L CB -0.374 41.610 42.059 -0.124 0.000 0.953 335 L HN 0.014 nan 8.230 nan 0.000 0.454 336 T N 2.229 116.658 114.554 -0.209 0.000 2.792 336 T HA 0.151 4.501 4.350 -0.000 0.000 0.286 336 T C -0.037 174.583 174.700 -0.134 0.000 0.970 336 T CA 0.615 62.603 62.100 -0.187 0.000 1.187 336 T CB 0.165 68.893 68.868 -0.234 0.000 0.915 336 T HN 0.166 nan 8.240 nan 0.000 0.529 337 K N 1.873 122.266 120.400 -0.012 0.000 2.551 337 K HA 0.316 4.636 4.320 -0.000 0.000 0.269 337 K C -0.326 176.426 176.600 0.254 0.000 0.949 337 K CA -0.913 55.422 56.287 0.080 0.000 0.849 337 K CB 2.268 34.775 32.500 0.013 0.000 1.411 337 K HN 0.593 nan 8.250 nan 0.000 0.432 338 E N 0.863 121.264 120.200 0.336 0.000 2.442 338 E HA 0.240 4.590 4.350 -0.000 0.000 0.260 338 E C -0.831 175.833 176.600 0.106 0.000 1.148 338 E CA 0.008 56.527 56.400 0.199 0.000 0.976 338 E CB 0.660 30.403 29.700 0.071 0.000 0.967 338 E HN 0.549 nan 8.360 nan 0.000 0.454 350 V N -1.138 118.950 119.914 0.290 0.000 4.478 350 V HA 0.142 4.262 4.120 -0.000 0.000 0.161 350 V C 1.250 177.251 176.094 -0.155 0.000 1.207 350 V CA 0.316 62.624 62.300 0.012 0.000 1.271 350 V CB -0.549 31.222 31.823 -0.088 0.000 1.593 350 V HN 0.385 nan 8.190 nan 0.000 0.573 351 K N 0.018 120.118 120.400 -0.501 0.000 2.439 351 K HA -0.040 4.280 4.320 -0.000 0.000 0.197 351 K C 1.505 177.871 176.600 -0.391 0.000 1.041 351 K CA 1.140 57.030 56.287 -0.662 0.000 0.970 351 K CB -0.003 31.891 32.500 -1.010 0.000 0.773 351 K HN 0.561 nan 8.250 nan 0.000 0.479 352 W N 1.241 122.630 121.300 0.147 0.000 3.220 352 W HA 0.139 4.799 4.660 -0.000 0.000 0.328 352 W C 0.164 176.852 176.519 0.280 0.000 1.205 352 W CA -0.207 57.281 57.345 0.238 0.000 1.773 352 W CB -0.060 29.513 29.460 0.189 0.000 1.086 352 W HN -0.186 nan 8.180 nan 0.000 0.622 353 T N 1.210 115.958 114.554 0.323 0.000 2.909 353 T HA 0.549 4.899 4.350 -0.000 0.000 0.286 353 T C 0.367 174.966 174.700 -0.169 0.000 1.002 353 T CA -0.346 61.845 62.100 0.152 0.000 1.074 353 T CB 2.198 71.126 68.868 0.100 0.000 0.984 353 T HN -0.060 nan 8.240 nan 0.000 0.495 354 A N 3.543 126.137 122.820 -0.377 0.000 2.351 354 A HA 0.492 4.812 4.320 -0.000 0.000 0.257 354 A C -1.403 175.747 177.584 -0.724 0.000 1.087 354 A CA -1.366 50.097 52.037 -0.958 0.000 0.798 354 A CB -0.152 18.541 19.000 -0.510 0.000 1.033 354 A HN 0.534 nan 8.150 nan 0.000 0.488 355 P HA -0.217 nan 4.420 nan 0.000 0.213 355 P C 0.762 177.873 177.300 -0.315 0.000 1.170 355 P CA 2.061 64.867 63.100 -0.490 0.000 0.902 355 P CB 0.044 31.459 31.700 -0.475 0.000 0.789 356 E N -0.345 119.685 120.200 -0.284 0.000 2.338 356 E HA -0.073 4.277 4.350 -0.000 0.000 0.197 356 E C 1.874 178.350 176.600 -0.207 0.000 1.007 356 E CA 1.220 57.507 56.400 -0.188 0.000 0.849 356 E CB -1.250 28.369 29.700 -0.135 0.000 0.774 356 E HN 0.204 nan 8.360 nan 0.000 0.506 357 A N 1.321 123.945 122.820 -0.326 0.000 1.854 357 A HA -0.039 4.281 4.320 -0.000 0.000 0.214 357 A C 2.202 179.655 177.584 -0.218 0.000 1.192 357 A CA 1.006 52.764 52.037 -0.465 0.000 0.611 357 A CB -0.757 17.737 19.000 -0.843 0.000 0.832 357 A HN 0.219 nan 8.150 nan 0.000 0.442 358 L N -0.595 120.524 121.223 -0.173 0.000 1.990 358 L HA -0.244 4.096 4.340 -0.000 0.000 0.213 358 L C 2.734 179.587 176.870 -0.029 0.000 1.072 358 L CA 1.631 56.438 54.840 -0.055 0.000 0.755 358 L CB -0.639 41.366 42.059 -0.090 0.000 0.889 358 L HN 0.377 nan 8.230 nan 0.000 0.432 359 R N -0.013 120.446 120.500 -0.067 0.000 1.860 359 R HA -0.034 4.306 4.340 -0.000 0.000 0.139 359 R C 0.600 176.892 176.300 -0.012 0.000 0.745 359 R CA 0.217 56.292 56.100 -0.041 0.000 1.556 359 R CB -0.423 29.840 30.300 -0.060 0.000 0.584 359 R HN 0.080 nan 8.270 nan 0.000 0.653 360 E N 2.868 123.056 120.200 -0.019 0.000 2.059 360 E HA -0.037 4.313 4.350 -0.000 0.000 0.262 360 E C -0.528 176.091 176.600 0.032 0.000 1.230 360 E CA 0.373 56.778 56.400 0.009 0.000 0.951 360 E CB 0.314 30.014 29.700 -0.000 0.000 1.038 360 E HN 0.195 nan 8.360 nan 0.000 0.425 361 K N 3.536 123.991 120.400 0.091 0.000 2.591 361 K HA -0.118 4.202 4.320 -0.000 0.000 0.222 361 K C 0.410 177.172 176.600 0.270 0.000 1.070 361 K CA 0.503 56.920 56.287 0.218 0.000 1.187 361 K CB -0.591 32.047 32.500 0.230 0.000 1.124 361 K HN 0.238 nan 8.250 nan 0.000 0.243 362 K N 1.047 121.537 120.400 0.149 0.000 2.404 362 K HA 0.210 4.530 4.320 -0.000 0.000 0.257 362 K C -1.054 175.621 176.600 0.125 0.000 1.026 362 K CA -0.596 55.782 56.287 0.153 0.000 0.951 362 K CB 0.493 33.029 32.500 0.060 0.000 1.203 362 K HN -0.119 nan 8.250 nan 0.000 0.446 363 F N 2.373 122.358 119.950 0.058 0.000 2.390 363 F HA 0.150 4.677 4.527 -0.000 0.000 0.361 363 F C 0.924 176.780 175.800 0.092 0.000 1.124 363 F CA -0.180 57.871 58.000 0.084 0.000 1.149 363 F CB 1.225 40.284 39.000 0.098 0.000 1.160 363 F HN 0.626 nan 8.300 nan 0.000 0.501 364 S N 0.681 116.492 115.700 0.186 0.000 2.739 364 S HA 0.366 4.836 4.470 -0.000 0.000 0.306 364 S C 0.977 175.698 174.600 0.202 0.000 1.115 364 S CA -0.558 57.738 58.200 0.160 0.000 0.985 364 S CB 1.375 64.632 63.200 0.096 0.000 1.133 364 S HN 0.454 nan 8.310 nan 0.000 0.541 365 T N 1.572 116.242 114.554 0.193 0.000 2.929 365 T HA -0.041 4.309 4.350 -0.000 0.000 0.271 365 T C 1.531 176.381 174.700 0.250 0.000 1.085 365 T CA 1.067 63.331 62.100 0.272 0.000 1.125 365 T CB -0.279 68.738 68.868 0.249 0.000 0.874 365 T HN 0.465 nan 8.240 nan 0.000 0.494 366 K N 1.771 122.257 120.400 0.145 0.000 2.026 366 K HA -0.053 4.267 4.320 -0.000 0.000 0.208 366 K C 2.772 179.481 176.600 0.182 0.000 1.048 366 K CA 1.551 57.902 56.287 0.107 0.000 0.929 366 K CB -0.995 31.554 32.500 0.082 0.000 0.713 366 K HN 0.569 nan 8.250 nan 0.000 0.439 367 S N 1.357 117.150 115.700 0.155 0.000 2.387 367 S HA -0.197 4.273 4.470 -0.000 0.000 0.230 367 S C 1.566 176.352 174.600 0.309 0.000 1.035 367 S CA 1.819 60.096 58.200 0.129 0.000 1.014 367 S CB -0.377 62.752 63.200 -0.118 0.000 0.836 367 S HN 0.225 nan 8.310 nan 0.000 0.466 368 D N 1.021 121.650 120.400 0.382 0.000 2.183 368 D HA 0.026 4.666 4.640 -0.000 0.000 0.203 368 D C 1.945 178.614 176.300 0.615 0.000 0.969 368 D CA 0.892 55.207 54.000 0.526 0.000 0.842 368 D CB -0.231 40.930 40.800 0.601 0.000 0.957 368 D HN 0.329 nan 8.370 nan 0.000 0.484 369 V N 0.468 120.597 119.914 0.358 0.000 2.295 369 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 369 V C 2.059 178.324 176.094 0.285 0.000 1.049 369 V CA 1.254 63.589 62.300 0.059 0.000 1.024 369 V CB -0.599 31.099 31.823 -0.209 0.000 0.648 369 V HN 0.476 nan 8.190 nan 0.000 0.447 370 W N 1.311 122.734 121.300 0.205 0.000 2.335 370 W HA -0.222 4.438 4.660 -0.000 0.000 0.311 370 W C 2.578 179.326 176.519 0.382 0.000 1.213 370 W CA 2.302 59.825 57.345 0.296 0.000 1.274 370 W CB -0.510 29.088 29.460 0.230 0.000 1.148 370 W HN 0.351 nan 8.180 nan 0.000 0.498 371 S N 0.287 116.371 115.700 0.639 0.000 2.382 371 S HA -0.185 4.285 4.470 -0.000 0.000 0.228 371 S C 0.661 175.528 174.600 0.444 0.000 1.027 371 S CA 0.732 59.266 58.200 0.557 0.000 0.991 371 S CB -0.780 62.702 63.200 0.470 0.000 0.823 371 S HN 0.150 nan 8.310 nan 0.000 0.469 372 F N 1.316 121.451 119.950 0.309 0.000 2.444 372 F HA 0.456 4.983 4.527 -0.000 0.000 0.331 372 F C 1.505 177.380 175.800 0.126 0.000 1.167 372 F CA 0.909 59.055 58.000 0.243 0.000 1.262 372 F CB 0.260 39.469 39.000 0.348 0.000 1.196 372 F HN 0.299 nan 8.300 nan 0.000 0.583 373 G N 4.377 112.866 108.800 -0.517 0.000 3.757 373 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.215 373 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.215 373 G C 1.232 176.158 174.900 0.043 0.000 1.411 373 G CA 0.319 45.215 45.100 -0.340 0.000 0.896 373 G HN 0.673 nan 8.290 nan 0.000 0.581 374 I N 1.422 122.187 120.570 0.326 0.000 2.264 374 I HA -0.093 4.077 4.170 -0.000 0.000 0.248 374 I C 2.726 179.098 176.117 0.425 0.000 1.111 374 I CA 1.753 63.352 61.300 0.498 0.000 1.382 374 I CB -0.241 38.047 38.000 0.479 0.000 1.060 374 I HN 0.404 nan 8.210 nan 0.000 0.418 375 L N 0.337 121.693 121.223 0.222 0.000 2.156 375 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 375 L C 2.394 179.286 176.870 0.036 0.000 1.095 375 L CA 1.169 56.080 54.840 0.118 0.000 0.770 375 L CB -0.004 42.036 42.059 -0.031 0.000 0.914 375 L HN 0.196 nan 8.230 nan 0.000 0.439 376 L N -1.469 119.693 121.223 -0.102 0.000 2.093 376 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 376 L C 2.308 179.317 176.870 0.232 0.000 1.085 376 L CA 1.528 56.353 54.840 -0.025 0.000 0.755 376 L CB -0.566 41.382 42.059 -0.185 0.000 0.904 376 L HN 0.502 nan 8.230 nan 0.000 0.435 377 W N 1.464 122.838 121.300 0.124 0.000 2.335 377 W HA -0.221 4.439 4.660 -0.000 0.000 0.311 377 W C 2.397 179.025 176.519 0.181 0.000 1.213 377 W CA 1.786 59.255 57.345 0.206 0.000 1.274 377 W CB -0.008 29.613 29.460 0.267 0.000 1.148 377 W HN 0.093 nan 8.180 nan 0.000 0.498 378 E N 0.099 120.563 120.200 0.440 0.000 2.058 378 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 378 E C 2.111 178.701 176.600 -0.017 0.000 0.997 378 E CA 2.065 58.617 56.400 0.254 0.000 0.801 378 E CB -0.610 29.280 29.700 0.316 0.000 0.746 378 E HN 0.376 nan 8.360 nan 0.000 0.450 379 I N -0.017 120.536 120.570 -0.028 0.000 2.208 379 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 379 I C 1.722 177.531 176.117 -0.514 0.000 1.097 379 I CA 1.331 62.500 61.300 -0.218 0.000 1.363 379 I CB -0.240 37.666 38.000 -0.155 0.000 1.051 379 I HN 0.132 nan 8.210 nan 0.000 0.413 380 Y N -0.855 119.279 120.300 -0.277 0.000 2.466 380 Y HA 0.080 4.630 4.550 -0.000 0.000 0.272 380 Y C 2.348 178.082 175.900 -0.276 0.000 1.169 380 Y CA 0.239 58.170 58.100 -0.282 0.000 1.285 380 Y CB 0.228 38.594 38.460 -0.156 0.000 1.078 380 Y HN -0.024 nan 8.280 nan 0.000 0.523 381 S N -0.939 114.569 115.700 -0.320 0.000 2.554 381 S HA 0.129 4.599 4.470 -0.000 0.000 0.226 381 S C 0.014 174.588 174.600 -0.043 0.000 0.980 381 S CA -0.252 57.694 58.200 -0.423 0.000 0.939 381 S CB -0.670 61.742 63.200 -1.313 0.000 0.832 381 S HN 0.398 nan 8.310 nan 0.000 0.486 382 F N 0.830 120.680 119.950 -0.167 0.000 3.004 382 F HA -0.227 4.300 4.527 -0.000 0.000 0.264 382 F C 1.328 177.108 175.800 -0.033 0.000 0.979 382 F CA 0.939 58.886 58.000 -0.088 0.000 0.896 382 F CB -1.657 37.292 39.000 -0.086 0.000 0.813 382 F HN 0.387 nan 8.300 nan 0.000 0.804 383 G N -0.658 108.190 108.800 0.081 0.000 2.195 383 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.246 383 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.246 383 G C 0.517 175.527 174.900 0.184 0.000 0.984 383 G CA -0.039 45.138 45.100 0.129 0.000 0.633 383 G HN 0.683 nan 8.290 nan 0.000 0.525 384 R N 0.563 121.158 120.500 0.160 0.000 2.638 384 R HA 0.326 4.666 4.340 -0.000 0.000 0.268 384 R C 0.517 177.101 176.300 0.473 0.000 1.006 384 R CA 0.197 56.447 56.100 0.250 0.000 1.088 384 R CB 0.308 30.698 30.300 0.150 0.000 0.950 384 R HN 0.125 nan 8.270 nan 0.000 0.419 385 V N 8.174 128.333 119.914 0.407 0.000 2.470 385 V HA 0.150 4.270 4.120 -0.000 0.000 0.276 385 V C -1.852 174.468 176.094 0.376 0.000 1.040 385 V CA -1.572 60.960 62.300 0.387 0.000 1.008 385 V CB 1.021 32.996 31.823 0.252 0.000 0.990 385 V HN 0.867 nan 8.190 nan 0.000 0.477 386 P HA -0.059 nan 4.420 nan 0.000 0.264 386 P C -0.809 176.525 177.300 0.056 0.000 1.173 386 P CA 0.468 63.423 63.100 -0.243 0.000 0.761 386 P CB -0.116 31.519 31.700 -0.109 0.000 0.794 387 Y N 0.372 120.397 120.300 -0.459 0.000 3.004 387 Y HA -0.168 4.382 4.550 -0.000 0.000 0.160 387 Y C -1.286 174.574 175.900 -0.067 0.000 1.739 387 Y CA -0.378 57.594 58.100 -0.213 0.000 0.959 387 Y CB -2.976 35.351 38.460 -0.221 0.000 1.460 387 Y HN 0.514 nan 8.280 nan 0.000 0.385 388 P HA -0.188 nan 4.420 nan 0.000 0.214 388 P C 0.771 178.129 177.300 0.095 0.000 1.169 388 P CA 1.831 65.023 63.100 0.153 0.000 0.908 388 P CB 0.291 32.103 31.700 0.187 0.000 0.791 389 R N -0.366 120.179 120.500 0.074 0.000 2.651 389 R HA 0.425 4.765 4.340 -0.000 0.000 0.282 389 R C -0.696 175.610 176.300 0.009 0.000 1.565 389 R CA -0.196 55.927 56.100 0.038 0.000 1.661 389 R CB -0.139 30.181 30.300 0.034 0.000 1.189 389 R HN 0.290 nan 8.270 nan 0.000 0.621 390 I N 1.621 122.192 120.570 0.002 0.000 2.503 390 I HA 0.269 4.439 4.170 -0.000 0.000 0.282 390 I C -2.250 173.818 176.117 -0.081 0.000 1.059 390 I CA -2.196 59.073 61.300 -0.051 0.000 1.081 390 I CB 2.591 40.592 38.000 0.002 0.000 1.210 390 I HN -0.079 nan 8.210 nan 0.000 0.450 391 P HA -0.139 nan 4.420 nan 0.000 0.247 391 P C 1.127 178.352 177.300 -0.126 0.000 1.115 391 P CA 0.411 63.454 63.100 -0.095 0.000 0.799 391 P CB 0.159 31.802 31.700 -0.094 0.000 0.721 392 L N 1.238 122.393 121.223 -0.113 0.000 2.757 392 L HA -0.080 4.260 4.340 -0.000 0.000 0.243 392 L C 1.150 177.934 176.870 -0.143 0.000 1.182 392 L CA 1.304 56.058 54.840 -0.142 0.000 0.851 392 L CB -0.693 41.306 42.059 -0.100 0.000 0.989 392 L HN 0.261 nan 8.230 nan 0.000 0.457 393 K N 0.426 120.751 120.400 -0.126 0.000 2.761 393 K HA 0.051 4.371 4.320 -0.000 0.000 0.196 393 K C 0.004 176.538 176.600 -0.110 0.000 1.134 393 K CA 0.441 56.662 56.287 -0.110 0.000 1.082 393 K CB 0.507 32.960 32.500 -0.077 0.000 0.768 393 K HN 0.448 nan 8.250 nan 0.000 0.475 394 D N -1.074 119.245 120.400 -0.135 0.000 2.563 394 D HA -0.005 4.635 4.640 -0.000 0.000 0.256 394 D C 1.002 177.208 176.300 -0.156 0.000 1.400 394 D CA -0.148 53.777 54.000 -0.125 0.000 0.800 394 D CB -0.021 40.713 40.800 -0.110 0.000 1.145 394 D HN -0.064 nan 8.370 nan 0.000 0.501 395 V N 0.493 120.283 119.914 -0.207 0.000 2.358 395 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 395 V C 2.649 178.643 176.094 -0.167 0.000 1.047 395 V CA 1.586 63.733 62.300 -0.255 0.000 1.035 395 V CB -0.305 31.230 31.823 -0.480 0.000 0.658 395 V HN 0.158 nan 8.190 nan 0.000 0.452 396 V N 0.248 120.065 119.914 -0.160 0.000 2.287 396 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 396 V C 0.178 176.223 176.094 -0.083 0.000 1.053 396 V CA 2.605 64.831 62.300 -0.123 0.000 1.027 396 V CB -1.905 29.849 31.823 -0.115 0.000 0.646 396 V HN 0.510 nan 8.190 nan 0.000 0.447 397 P HA -0.144 nan 4.420 nan 0.000 0.211 397 P C 1.826 179.109 177.300 -0.027 0.000 1.179 397 P CA 1.538 64.606 63.100 -0.053 0.000 0.910 397 P CB -0.155 31.509 31.700 -0.060 0.000 0.785 398 R N -0.508 119.971 120.500 -0.035 0.000 2.083 398 R HA -0.100 4.240 4.340 -0.000 0.000 0.237 398 R C 2.178 178.551 176.300 0.122 0.000 1.137 398 R CA 1.435 57.546 56.100 0.018 0.000 0.951 398 R CB -1.535 28.709 30.300 -0.093 0.000 0.851 398 R HN 0.110 nan 8.270 nan 0.000 0.434 399 V N 1.516 121.504 119.914 0.124 0.000 2.287 399 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 399 V C 2.011 178.151 176.094 0.077 0.000 1.053 399 V CA 1.853 64.244 62.300 0.152 0.000 1.027 399 V CB -0.473 31.418 31.823 0.113 0.000 0.646 399 V HN 0.381 nan 8.190 nan 0.000 0.447 400 E N -0.373 119.833 120.200 0.010 0.000 2.333 400 E HA -0.209 4.141 4.350 -0.000 0.000 0.198 400 E C 2.118 178.732 176.600 0.024 0.000 1.007 400 E CA 0.822 57.216 56.400 -0.010 0.000 0.845 400 E CB -0.067 29.611 29.700 -0.036 0.000 0.766 400 E HN 0.602 nan 8.360 nan 0.000 0.507 401 K N -1.069 119.358 120.400 0.046 0.000 2.314 401 K HA 0.054 4.374 4.320 -0.000 0.000 0.198 401 K C 1.154 177.800 176.600 0.077 0.000 1.045 401 K CA 0.650 56.969 56.287 0.054 0.000 0.988 401 K CB 0.778 33.309 32.500 0.052 0.000 0.783 401 K HN 0.187 nan 8.250 nan 0.000 0.484 402 G N 0.534 109.397 108.800 0.105 0.000 2.200 402 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.145 402 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.145 402 G C -0.605 174.351 174.900 0.093 0.000 1.021 402 G CA -0.660 44.502 45.100 0.103 0.000 0.720 402 G HN 0.237 nan 8.290 nan 0.000 0.494 403 Y N 2.431 122.744 120.300 0.022 0.000 2.620 403 Y HA 0.510 5.060 4.550 -0.000 0.000 0.330 403 Y C 0.451 176.310 175.900 -0.069 0.000 1.186 403 Y CA 0.391 58.484 58.100 -0.011 0.000 1.467 403 Y CB 0.507 38.964 38.460 -0.005 0.000 1.262 403 Y HN 0.130 nan 8.280 nan 0.000 0.550 404 K N 7.251 127.008 120.400 -1.071 0.000 2.378 404 K HA 0.361 4.681 4.320 -0.000 0.000 0.252 404 K C -0.423 175.480 176.600 -1.160 0.000 0.931 404 K CA -0.849 54.899 56.287 -0.900 0.000 0.794 404 K CB 2.127 34.416 32.500 -0.351 0.000 1.181 404 K HN 0.706 nan 8.250 nan 0.000 0.425 405 M N 0.981 119.999 119.600 -0.970 0.000 1.783 405 M HA 0.048 4.528 4.480 -0.000 0.000 0.186 405 M C 0.053 176.251 176.300 -0.169 0.000 1.303 405 M CA 0.625 55.553 55.300 -0.621 0.000 0.833 405 M CB 0.252 32.340 32.600 -0.852 0.000 1.174 405 M HN 0.459 nan 8.290 nan 0.000 0.378 406 D N -0.184 120.244 120.400 0.047 0.000 2.340 406 D HA 0.466 5.106 4.640 -0.000 0.000 0.240 406 D C -0.905 175.462 176.300 0.112 0.000 1.001 406 D CA -0.354 53.679 54.000 0.055 0.000 0.888 406 D CB 1.528 42.340 40.800 0.019 0.000 1.310 406 D HN 0.630 nan 8.370 nan 0.000 0.474 407 A N 2.383 124.958 122.820 -0.407 0.000 2.524 407 A HA 0.343 4.663 4.320 -0.000 0.000 0.250 407 A C -1.981 175.523 177.584 -0.134 0.000 1.078 407 A CA -0.526 51.246 52.037 -0.442 0.000 0.761 407 A CB -0.513 17.890 19.000 -0.996 0.000 1.012 407 A HN 0.290 nan 8.150 nan 0.000 0.500 408 P HA 0.021 nan 4.420 nan 0.000 0.273 408 P C -0.394 176.875 177.300 -0.051 0.000 1.252 408 P CA -0.161 62.865 63.100 -0.124 0.000 0.809 408 P CB 0.370 31.927 31.700 -0.237 0.000 1.017 409 D N -0.161 120.226 120.400 -0.021 0.000 2.389 409 D HA 0.211 4.851 4.640 -0.000 0.000 0.247 409 D C 1.419 177.744 176.300 0.042 0.000 1.128 409 D CA 1.071 55.070 54.000 -0.002 0.000 0.884 409 D CB 0.192 40.983 40.800 -0.015 0.000 1.194 409 D HN 0.674 nan 8.370 nan 0.000 0.441 410 G N 2.031 110.846 108.800 0.026 0.000 2.180 410 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.263 410 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.263 410 G C 0.632 175.587 174.900 0.091 0.000 0.989 410 G CA 0.391 45.522 45.100 0.053 0.000 0.692 410 G HN 0.715 nan 8.290 nan 0.000 0.526 411 C N 1.869 121.206 119.300 0.062 0.000 2.624 411 C HA 0.537 4.997 4.460 -0.000 0.000 0.397 411 C C -1.039 173.946 174.990 -0.009 0.000 1.331 411 C CA -1.989 57.053 59.018 0.039 0.000 1.716 411 C CB -0.241 27.480 27.740 -0.032 0.000 2.452 411 C HN 0.390 nan 8.230 nan 0.000 0.586 412 P HA 0.133 nan 4.420 nan 0.000 0.263 412 P C -1.932 175.362 177.300 -0.010 0.000 1.195 412 P CA -0.545 62.558 63.100 0.005 0.000 0.762 412 P CB 0.374 32.099 31.700 0.041 0.000 0.799 413 P HA -0.266 nan 4.420 nan 0.000 0.216 413 P C 1.250 178.589 177.300 0.064 0.000 1.153 413 P CA 1.876 65.018 63.100 0.070 0.000 0.858 413 P CB -0.174 31.557 31.700 0.053 0.000 0.789 414 A N -0.700 122.136 122.820 0.027 0.000 1.908 414 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 414 A C 2.355 179.916 177.584 -0.038 0.000 1.181 414 A CA 2.016 54.060 52.037 0.012 0.000 0.627 414 A CB -1.746 17.275 19.000 0.034 0.000 0.818 414 A HN 0.056 nan 8.150 nan 0.000 0.445 415 V N -1.488 118.378 119.914 -0.079 0.000 2.427 415 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 415 V C 2.363 178.340 176.094 -0.195 0.000 1.051 415 V CA 2.012 64.197 62.300 -0.191 0.000 1.048 415 V CB -0.948 30.619 31.823 -0.426 0.000 0.666 415 V HN 0.734 nan 8.190 nan 0.000 0.456 416 Y N 1.313 121.478 120.300 -0.225 0.000 2.293 416 Y HA -0.178 4.372 4.550 -0.000 0.000 0.291 416 Y C 2.256 178.046 175.900 -0.183 0.000 1.137 416 Y CA 1.473 59.465 58.100 -0.181 0.000 1.202 416 Y CB -0.365 38.036 38.460 -0.098 0.000 0.990 416 Y HN 0.342 nan 8.280 nan 0.000 0.537 417 D N -0.594 119.640 120.400 -0.277 0.000 2.178 417 D HA -0.151 4.489 4.640 -0.000 0.000 0.202 417 D C 2.376 178.454 176.300 -0.370 0.000 0.974 417 D CA 1.361 55.164 54.000 -0.329 0.000 0.841 417 D CB -0.092 40.628 40.800 -0.134 0.000 0.953 417 D HN 0.326 nan 8.370 nan 0.000 0.478 418 V N 1.378 121.108 119.914 -0.307 0.000 2.237 418 V HA -0.279 3.841 4.120 -0.000 0.000 0.245 418 V C 2.631 178.424 176.094 -0.502 0.000 1.046 418 V CA 1.419 63.548 62.300 -0.285 0.000 1.007 418 V CB -0.470 31.255 31.823 -0.164 0.000 0.638 418 V HN 0.178 nan 8.190 nan 0.000 0.445 419 M N -0.323 118.878 119.600 -0.664 0.000 2.110 419 M HA -0.300 4.180 4.480 -0.000 0.000 0.257 419 M C 2.280 177.553 176.300 -1.712 0.000 1.071 419 M CA 2.154 56.723 55.300 -1.219 0.000 1.096 419 M CB -0.740 31.227 32.600 -1.054 0.000 1.300 419 M HN 0.239 nan 8.290 nan 0.000 0.411 420 K N -0.237 119.453 120.400 -1.183 0.000 2.152 420 K HA -0.169 4.151 4.320 -0.000 0.000 0.206 420 K C 1.649 177.850 176.600 -0.664 0.000 1.048 420 K CA 1.400 57.238 56.287 -0.748 0.000 0.933 420 K CB -0.465 31.675 32.500 -0.599 0.000 0.721 420 K HN 0.282 nan 8.250 nan 0.000 0.447 421 N N 0.618 118.981 118.700 -0.562 0.000 2.270 421 N HA -0.093 4.647 4.740 -0.000 0.000 0.181 421 N C 1.307 176.648 175.510 -0.281 0.000 1.016 421 N CA 0.856 53.721 53.050 -0.308 0.000 0.870 421 N CB -0.038 38.347 38.487 -0.171 0.000 0.979 421 N HN 0.142 nan 8.380 nan 0.000 0.431 422 C N -0.615 118.361 119.300 -0.539 0.000 2.481 422 C HA 0.088 4.548 4.460 -0.000 0.000 0.275 422 C C 0.518 175.229 174.990 -0.466 0.000 1.419 422 C CA -0.436 58.303 59.018 -0.465 0.000 1.773 422 C CB -1.127 26.263 27.740 -0.584 0.000 1.862 422 C HN 0.513 nan 8.230 nan 0.000 0.530 423 W N 1.550 122.478 121.300 -0.620 0.000 2.269 423 W HA 0.318 4.978 4.660 -0.000 0.000 0.402 423 W C 0.247 176.560 176.519 -0.344 0.000 0.654 423 W CA -0.726 56.065 57.345 -0.923 0.000 2.299 423 W CB -1.366 27.516 29.460 -0.963 0.000 1.621 423 W HN 0.404 nan 8.180 nan 0.000 0.677 424 H N 1.836 121.038 119.070 0.220 0.000 2.640 424 H HA 0.090 4.646 4.556 -0.000 0.000 0.297 424 H C 1.562 177.092 175.328 0.337 0.000 1.073 424 H CA -0.279 55.901 56.048 0.221 0.000 1.305 424 H CB 1.675 31.497 29.762 0.099 0.000 1.404 424 H HN -0.154 nan 8.280 nan 0.000 0.459 425 L N 1.997 123.466 121.223 0.409 0.000 2.054 425 L HA -0.247 4.093 4.340 -0.000 0.000 0.220 425 L C 0.906 177.885 176.870 0.181 0.000 1.081 425 L CA 1.727 56.726 54.840 0.265 0.000 0.780 425 L CB -0.776 41.383 42.059 0.166 0.000 0.893 425 L HN 0.634 nan 8.230 nan 0.000 0.438 426 D N -0.147 120.354 120.400 0.168 0.000 2.367 426 D HA 0.283 4.923 4.640 -0.000 0.000 0.255 426 D C 1.288 177.650 176.300 0.104 0.000 1.300 426 D CA 0.659 54.717 54.000 0.097 0.000 0.959 426 D CB 0.966 41.799 40.800 0.054 0.000 1.064 426 D HN 0.237 nan 8.370 nan 0.000 0.509 427 A N 4.767 127.639 122.820 0.086 0.000 1.883 427 A HA -0.314 4.006 4.320 -0.000 0.000 0.222 427 A C 2.332 179.953 177.584 0.061 0.000 1.339 427 A CA 2.810 54.898 52.037 0.084 0.000 0.692 427 A CB -1.454 17.570 19.000 0.041 0.000 0.845 427 A HN 0.781 nan 8.150 nan 0.000 0.467 428 A N -1.841 120.995 122.820 0.028 0.000 1.896 428 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 428 A C 2.253 179.826 177.584 -0.018 0.000 1.206 428 A CA 2.956 54.995 52.037 0.002 0.000 0.647 428 A CB -1.744 17.252 19.000 -0.008 0.000 0.828 428 A HN 0.622 nan 8.150 nan 0.000 0.455 429 T N 0.360 114.894 114.554 -0.034 0.000 2.996 429 T HA -0.075 4.275 4.350 -0.000 0.000 0.271 429 T C 0.933 175.571 174.700 -0.104 0.000 1.126 429 T CA 0.769 62.797 62.100 -0.121 0.000 1.103 429 T CB -0.347 68.395 68.868 -0.211 0.000 0.870 429 T HN 0.475 nan 8.240 nan 0.000 0.528 430 R N 2.002 122.516 120.500 0.023 0.000 2.539 430 R HA 0.225 4.565 4.340 -0.000 0.000 0.275 430 R C -2.286 173.992 176.300 -0.037 0.000 1.077 430 R CA -1.715 54.422 56.100 0.061 0.000 1.097 430 R CB 0.004 30.369 30.300 0.109 0.000 1.018 430 R HN 0.189 nan 8.270 nan 0.000 0.483 431 P HA 0.001 nan 4.420 nan 0.000 0.273 431 P C -0.343 176.830 177.300 -0.212 0.000 1.250 431 P CA -0.220 62.803 63.100 -0.128 0.000 0.793 431 P CB 0.539 32.161 31.700 -0.131 0.000 1.011 432 T N -2.949 111.490 114.554 -0.192 0.000 2.927 432 T HA 0.340 4.690 4.350 -0.000 0.000 0.281 432 T C 1.053 175.573 174.700 -0.301 0.000 0.998 432 T CA -0.416 61.556 62.100 -0.213 0.000 1.019 432 T CB 0.085 68.910 68.868 -0.072 0.000 1.061 432 T HN 0.147 nan 8.240 nan 0.000 0.518 433 F N -0.245 119.653 119.950 -0.087 0.000 2.365 433 F HA 0.093 4.620 4.527 -0.000 0.000 0.300 433 F C 2.134 177.857 175.800 -0.127 0.000 1.090 433 F CA 0.477 58.381 58.000 -0.161 0.000 1.408 433 F CB -0.452 38.440 39.000 -0.179 0.000 1.060 433 F HN 0.450 nan 8.300 nan 0.000 0.534 434 L N -0.211 121.043 121.223 0.051 0.000 2.056 434 L HA -0.237 4.103 4.340 -0.000 0.000 0.207 434 L C 2.388 179.250 176.870 -0.015 0.000 1.078 434 L CA 1.495 56.349 54.840 0.022 0.000 0.749 434 L CB -0.384 41.685 42.059 0.017 0.000 0.901 434 L HN 0.123 nan 8.230 nan 0.000 0.433 435 Q N -0.363 119.409 119.800 -0.047 0.000 2.096 435 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 435 Q C 2.262 178.227 176.000 -0.058 0.000 0.982 435 Q CA 1.972 57.740 55.803 -0.058 0.000 0.850 435 Q CB -0.256 28.435 28.738 -0.078 0.000 0.901 435 Q HN 0.540 nan 8.270 nan 0.000 0.422 436 L N 0.159 121.329 121.223 -0.089 0.000 1.989 436 L HA -0.241 4.099 4.340 -0.000 0.000 0.211 436 L C 2.678 179.537 176.870 -0.018 0.000 1.071 436 L CA 1.500 56.298 54.840 -0.071 0.000 0.749 436 L CB -0.550 41.414 42.059 -0.158 0.000 0.890 436 L HN 0.210 nan 8.230 nan 0.000 0.431 437 R N 0.254 120.745 120.500 -0.016 0.000 2.096 437 R HA -0.208 4.132 4.340 -0.000 0.000 0.240 437 R C 2.207 178.521 176.300 0.024 0.000 1.139 437 R CA 1.829 57.938 56.100 0.015 0.000 0.952 437 R CB -0.158 30.154 30.300 0.021 0.000 0.854 437 R HN 0.397 nan 8.270 nan 0.000 0.436 438 E N 0.446 120.653 120.200 0.012 0.000 2.077 438 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 438 E C 2.112 178.735 176.600 0.037 0.000 0.989 438 E CA 1.269 57.679 56.400 0.017 0.000 0.800 438 E CB -0.191 29.506 29.700 -0.007 0.000 0.746 438 E HN 0.562 nan 8.360 nan 0.000 0.452 439 Q N 0.292 120.105 119.800 0.021 0.000 2.135 439 Q HA -0.110 4.230 4.340 -0.000 0.000 0.204 439 Q C 2.380 178.431 176.000 0.084 0.000 0.981 439 Q CA 0.966 56.795 55.803 0.042 0.000 0.856 439 Q CB -0.028 28.712 28.738 0.003 0.000 0.902 439 Q HN 0.274 nan 8.270 nan 0.000 0.425 440 L N -0.070 121.190 121.223 0.061 0.000 2.131 440 L HA -0.118 4.222 4.340 -0.000 0.000 0.206 440 L C 1.976 178.862 176.870 0.026 0.000 1.087 440 L CA 0.889 55.759 54.840 0.049 0.000 0.767 440 L CB -0.284 41.816 42.059 0.069 0.000 0.917 440 L HN 0.210 nan 8.230 nan 0.000 0.441 441 E N -0.705 119.519 120.200 0.039 0.000 2.106 441 E HA -0.249 4.101 4.350 -0.000 0.000 0.192 441 E C 1.968 178.583 176.600 0.024 0.000 0.984 441 E CA 1.013 57.422 56.400 0.015 0.000 0.806 441 E CB -0.181 29.533 29.700 0.022 0.000 0.750 441 E HN 0.459 nan 8.360 nan 0.000 0.458 442 H N 1.362 120.421 119.070 -0.019 0.000 2.319 442 H HA -0.107 4.449 4.556 -0.000 0.000 0.299 442 H C 1.913 177.263 175.328 0.037 0.000 1.092 442 H CA 1.784 57.837 56.048 0.009 0.000 1.302 442 H CB -0.206 29.591 29.762 0.058 0.000 1.373 442 H HN 0.070 nan 8.280 nan 0.000 0.497 443 I N -0.053 120.525 120.570 0.013 0.000 2.163 443 I HA -0.298 3.872 4.170 -0.000 0.000 0.243 443 I C 2.820 178.909 176.117 -0.047 0.000 1.085 443 I CA 1.716 63.003 61.300 -0.022 0.000 1.347 443 I CB -0.420 37.580 38.000 0.001 0.000 1.044 443 I HN 0.277 nan 8.210 nan 0.000 0.408 444 R N 0.613 121.040 120.500 -0.122 0.000 2.081 444 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 444 R C 2.263 178.529 176.300 -0.057 0.000 1.131 444 R CA 2.124 58.130 56.100 -0.157 0.000 0.960 444 R CB -0.281 29.929 30.300 -0.151 0.000 0.856 444 R HN 0.262 nan 8.270 nan 0.000 0.436 445 T N -0.462 114.006 114.554 -0.144 0.000 2.746 445 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 445 T C 1.092 175.631 174.700 -0.268 0.000 1.039 445 T CA 1.687 63.644 62.100 -0.238 0.000 1.142 445 T CB -0.242 68.391 68.868 -0.393 0.000 0.866 445 T HN 0.547 nan 8.240 nan 0.000 0.444 446 H N 0.627 119.647 119.070 -0.083 0.000 2.539 446 H HA 0.223 4.779 4.556 -0.000 0.000 0.269 446 H C 0.382 175.704 175.328 -0.011 0.000 0.980 446 H CA -0.047 55.954 56.048 -0.079 0.000 1.152 446 H CB 0.196 29.845 29.762 -0.189 0.000 1.407 446 H HN 0.362 nan 8.280 nan 0.000 0.564 447 E N 0.316 120.611 120.200 0.158 0.000 2.637 447 E HA -0.219 4.131 4.350 -0.000 0.000 0.265 447 E C 0.275 176.983 176.600 0.180 0.000 1.073 447 E CA 0.184 56.718 56.400 0.224 0.000 0.778 447 E CB -1.703 28.025 29.700 0.047 0.000 1.362 447 E HN 0.581 nan 8.360 nan 0.000 0.413 448 L N 0.502 121.844 121.223 0.198 0.000 2.721 448 L HA -0.123 4.217 4.340 -0.000 0.000 0.241 448 L C 2.339 179.300 176.870 0.153 0.000 1.168 448 L CA 1.106 56.016 54.840 0.116 0.000 0.866 448 L CB -0.899 41.203 42.059 0.072 0.000 0.996 448 L HN 0.381 nan 8.230 nan 0.000 0.451 449 H N -1.648 117.434 119.070 0.020 0.000 2.788 449 H HA 0.280 4.836 4.556 -0.000 0.000 0.262 449 H C 1.042 176.399 175.328 0.047 0.000 0.968 449 H CA -0.430 55.644 56.048 0.042 0.000 1.218 449 H CB -0.095 29.709 29.762 0.071 0.000 1.443 449 H HN 0.207 nan 8.280 nan 0.000 0.478 450 L N 0.000 120.864 121.223 -0.599 0.000 2.949 450 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 450 L CA 0.000 54.584 54.840 -0.427 0.000 0.813 450 L CB 0.000 41.779 42.059 -0.466 0.000 0.961 450 L HN 0.000 nan 8.230 nan 0.000 0.502