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 1zee_1_B DATA FIRST_RESID 6 DATA SEQUENCE YNTEAFDEWI RSRFVELNSQ LEQLYYQQTD RANVQEVGTE LKHTLESEGR DATA SEQUENCE ELVKALLDEG NTDEGFDSAF DLLGNVGLYX AACRRHEITE PTRETTSPLL DATA SEQUENCE EASALAXHIG ASIGVTPRFA TAHLTTHNRA HNGIYKRFTD LPDEKLFVDY DATA SEQUENCE NTKGILAYKR ASDALLKIQP LGISHPISHD LLRVTKQALQ DVIESNQQLF DATA SEQUENCE NRLDTDRFFY CVRPYYKPYR VGSVVYRGAN AGDFAGINVI DLTLGLCFAN DATA SEQUENCE EASYSQXLVD KFLYXXPEDQ QILRECXRRP NLXDDFLQAK GCIHQDWYQE DATA SEQUENCE NLKLFIEVCE LHGQTAIQHH NELVTKYXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XVLLASLERL RDRRAAVLRD DIRTRYYDLK KLKDSLR 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 Y HA 0.000 nan 4.550 nan 0.000 0.201 6 Y C 0.000 175.905 175.900 0.008 0.000 1.272 6 Y CA 0.000 58.101 58.100 0.002 0.000 1.940 6 Y CB 0.000 38.458 38.460 -0.003 0.000 1.050 7 N N 0.038 118.662 118.700 -0.127 0.000 2.069 7 N HA -0.161 4.579 4.740 0.001 0.000 0.191 7 N C 1.248 176.664 175.510 -0.157 0.000 1.031 7 N CA 2.363 55.292 53.050 -0.201 0.000 0.852 7 N CB -0.128 38.309 38.487 -0.083 0.000 1.018 7 N HN 0.351 nan 8.380 nan 0.000 0.423 8 T N 0.921 115.431 114.554 -0.073 0.000 2.720 8 T HA -0.132 4.219 4.350 0.001 0.000 0.268 8 T C 1.537 176.223 174.700 -0.023 0.000 1.037 8 T CA 1.339 63.434 62.100 -0.009 0.000 1.144 8 T CB -0.298 68.570 68.868 -0.001 0.000 0.864 8 T HN 0.268 nan 8.240 nan 0.000 0.444 9 E N 1.282 121.432 120.200 -0.083 0.000 2.110 9 E HA 0.060 4.411 4.350 0.001 0.000 0.193 9 E C 2.371 178.892 176.600 -0.131 0.000 0.988 9 E CA 1.008 57.355 56.400 -0.088 0.000 0.804 9 E CB -0.473 29.185 29.700 -0.070 0.000 0.745 9 E HN 0.508 nan 8.360 nan 0.000 0.458 10 A N 0.385 123.040 122.820 -0.275 0.000 1.898 10 A HA -0.159 4.162 4.320 0.001 0.000 0.216 10 A C 2.021 179.611 177.584 0.010 0.000 1.181 10 A CA 1.110 53.001 52.037 -0.245 0.000 0.620 10 A CB -0.676 18.036 19.000 -0.480 0.000 0.819 10 A HN 0.326 nan 8.150 nan 0.000 0.442 11 F N 1.288 121.145 119.950 -0.155 0.000 2.146 11 F HA -0.116 4.412 4.527 0.001 0.000 0.298 11 F C 1.756 177.562 175.800 0.009 0.000 1.096 11 F CA 1.678 59.626 58.000 -0.086 0.000 1.275 11 F CB -0.698 38.208 39.000 -0.156 0.000 1.008 11 F HN 0.376 nan 8.300 nan 0.000 0.480 12 D N -0.110 120.225 120.400 -0.109 0.000 2.117 12 D HA -0.189 4.452 4.640 0.001 0.000 0.197 12 D C 2.095 178.331 176.300 -0.106 0.000 0.987 12 D CA 1.614 55.491 54.000 -0.205 0.000 0.829 12 D CB -0.152 40.589 40.800 -0.100 0.000 0.961 12 D HN 0.451 nan 8.370 nan 0.000 0.460 13 E N -1.051 119.140 120.200 -0.015 0.000 2.110 13 E HA -0.161 4.189 4.350 0.001 0.000 0.193 13 E C 1.615 178.245 176.600 0.050 0.000 0.988 13 E CA 0.783 57.194 56.400 0.018 0.000 0.804 13 E CB -0.201 29.516 29.700 0.029 0.000 0.745 13 E HN 0.471 nan 8.360 nan 0.000 0.458 14 W N 1.104 122.359 121.300 -0.075 0.000 2.355 14 W HA -0.180 4.480 4.660 0.001 0.000 0.309 14 W C 1.723 178.213 176.519 -0.047 0.000 1.206 14 W CA 0.995 58.326 57.345 -0.023 0.000 1.284 14 W CB -0.097 29.386 29.460 0.040 0.000 1.145 14 W HN -0.018 nan 8.180 nan 0.000 0.502 15 I N 0.941 121.399 120.570 -0.187 0.000 2.264 15 I HA -0.251 3.920 4.170 0.001 0.000 0.248 15 I C 2.072 178.006 176.117 -0.306 0.000 1.111 15 I CA 1.684 62.681 61.300 -0.504 0.000 1.382 15 I CB -1.305 36.286 38.000 -0.682 0.000 1.060 15 I HN 0.108 nan 8.210 nan 0.000 0.418 16 R N 0.097 120.471 120.500 -0.211 0.000 2.299 16 R HA -0.012 4.329 4.340 0.001 0.000 0.197 16 R C 1.817 178.044 176.300 -0.121 0.000 0.971 16 R CA 0.861 56.877 56.100 -0.141 0.000 1.030 16 R CB 0.164 30.420 30.300 -0.073 0.000 0.932 16 R HN 0.502 nan 8.270 nan 0.000 0.477 17 S N -0.640 114.968 115.700 -0.153 0.000 3.420 17 S HA 0.090 4.560 4.470 0.001 0.000 0.173 17 S C 1.596 176.073 174.600 -0.205 0.000 0.800 17 S CA -0.550 57.569 58.200 -0.135 0.000 0.963 17 S CB -0.140 63.017 63.200 -0.072 0.000 1.236 17 S HN -0.051 nan 8.310 nan 0.000 0.827 18 R N 0.921 121.266 120.500 -0.259 0.000 2.103 18 R HA 0.025 4.365 4.340 0.001 0.000 0.242 18 R C 2.018 178.046 176.300 -0.454 0.000 1.142 18 R CA 1.881 57.807 56.100 -0.290 0.000 0.960 18 R CB -1.487 28.711 30.300 -0.170 0.000 0.858 18 R HN 0.536 nan 8.270 nan 0.000 0.439 19 F N -0.179 119.158 119.950 -1.022 0.000 2.091 19 F HA -0.221 4.306 4.527 0.001 0.000 0.299 19 F C 1.891 177.447 175.800 -0.406 0.000 1.103 19 F CA 1.764 59.208 58.000 -0.926 0.000 1.228 19 F CB -0.449 37.932 39.000 -1.031 0.000 0.984 19 F HN -0.122 nan 8.300 nan 0.000 0.477 20 V N 0.469 120.210 119.914 -0.288 0.000 2.307 20 V HA -0.286 3.835 4.120 0.001 0.000 0.245 20 V C 2.256 178.209 176.094 -0.234 0.000 1.045 20 V CA 2.262 64.404 62.300 -0.263 0.000 1.024 20 V CB -0.844 30.881 31.823 -0.163 0.000 0.651 20 V HN 0.335 nan 8.190 nan 0.000 0.449 21 E N 0.251 120.338 120.200 -0.189 0.000 2.070 21 E HA -0.234 4.116 4.350 0.001 0.000 0.197 21 E C 2.242 178.759 176.600 -0.138 0.000 1.004 21 E CA 1.581 57.900 56.400 -0.135 0.000 0.805 21 E CB -0.298 29.341 29.700 -0.101 0.000 0.744 21 E HN 0.500 nan 8.360 nan 0.000 0.451 22 L N 1.205 122.326 121.223 -0.171 0.000 1.989 22 L HA -0.221 4.120 4.340 0.001 0.000 0.211 22 L C 2.246 179.020 176.870 -0.161 0.000 1.071 22 L CA 0.999 55.749 54.840 -0.149 0.000 0.749 22 L CB -0.606 41.380 42.059 -0.122 0.000 0.890 22 L HN 0.156 nan 8.230 nan 0.000 0.431 23 N N -0.347 118.230 118.700 -0.205 0.000 2.149 23 N HA -0.143 4.597 4.740 0.001 0.000 0.188 23 N C 2.017 177.540 175.510 0.022 0.000 1.019 23 N CA 1.557 54.593 53.050 -0.025 0.000 0.857 23 N CB -0.213 38.203 38.487 -0.119 0.000 0.997 23 N HN 0.240 nan 8.380 nan 0.000 0.426 24 S N 1.421 117.082 115.700 -0.065 0.000 2.348 24 S HA -0.119 4.352 4.470 0.001 0.000 0.221 24 S C 1.950 176.525 174.600 -0.042 0.000 1.033 24 S CA 0.949 59.124 58.200 -0.041 0.000 1.010 24 S CB -0.267 62.892 63.200 -0.069 0.000 0.891 24 S HN 0.395 nan 8.310 nan 0.000 0.442 25 Q N 0.464 120.220 119.800 -0.074 0.000 2.135 25 Q HA -0.054 4.286 4.340 0.001 0.000 0.204 25 Q C 2.156 178.074 176.000 -0.138 0.000 0.981 25 Q CA 1.071 56.821 55.803 -0.089 0.000 0.856 25 Q CB -0.324 28.360 28.738 -0.089 0.000 0.902 25 Q HN 0.455 nan 8.270 nan 0.000 0.425 26 L N 0.383 121.507 121.223 -0.165 0.000 2.056 26 L HA -0.176 4.164 4.340 0.001 0.000 0.207 26 L C 2.235 178.888 176.870 -0.362 0.000 1.078 26 L CA 0.772 55.409 54.840 -0.338 0.000 0.749 26 L CB -0.180 41.705 42.059 -0.289 0.000 0.901 26 L HN 0.172 nan 8.230 nan 0.000 0.433 27 E N -0.320 119.898 120.200 0.030 0.000 2.153 27 E HA -0.270 4.080 4.350 0.001 0.000 0.194 27 E C 2.016 178.672 176.600 0.094 0.000 0.988 27 E CA 0.946 57.471 56.400 0.208 0.000 0.811 27 E CB -0.142 29.664 29.700 0.176 0.000 0.746 27 E HN 0.372 nan 8.360 nan 0.000 0.466 28 Q N 0.709 120.505 119.800 -0.005 0.000 2.119 28 Q HA -0.052 4.288 4.340 0.001 0.000 0.201 28 Q C 2.163 178.164 176.000 0.002 0.000 0.972 28 Q CA 1.055 56.868 55.803 0.017 0.000 0.847 28 Q CB -0.256 28.472 28.738 -0.017 0.000 0.903 28 Q HN 0.294 nan 8.270 nan 0.000 0.433 29 L N -0.960 120.181 121.223 -0.137 0.000 2.027 29 L HA -0.156 4.185 4.340 0.001 0.000 0.206 29 L C 2.088 178.911 176.870 -0.079 0.000 1.074 29 L CA 1.108 55.846 54.840 -0.169 0.000 0.745 29 L CB -0.628 41.238 42.059 -0.323 0.000 0.898 29 L HN 0.248 nan 8.230 nan 0.000 0.433 30 Y N -1.520 118.819 120.300 0.065 0.000 2.181 30 Y HA -0.275 4.276 4.550 0.001 0.000 0.288 30 Y C 2.448 178.396 175.900 0.080 0.000 1.146 30 Y CA 1.003 59.143 58.100 0.065 0.000 1.164 30 Y CB -1.067 37.446 38.460 0.087 0.000 0.982 30 Y HN 0.047 nan 8.280 nan 0.000 0.515 31 Y N 0.999 121.369 120.300 0.118 0.000 2.574 31 Y HA -0.192 4.358 4.550 0.001 0.000 0.294 31 Y C 2.113 178.004 175.900 -0.016 0.000 1.142 31 Y CA 0.901 59.017 58.100 0.026 0.000 1.314 31 Y CB -0.330 38.158 38.460 0.048 0.000 0.991 31 Y HN 0.270 nan 8.280 nan 0.000 0.555 32 Q N -0.046 119.785 119.800 0.052 0.000 2.033 32 Q HA -0.118 4.223 4.340 0.001 0.000 0.196 32 Q C 0.994 176.955 176.000 -0.065 0.000 0.970 32 Q CA 0.718 56.509 55.803 -0.020 0.000 0.828 32 Q CB -0.173 28.565 28.738 -0.001 0.000 0.895 32 Q HN 0.536 nan 8.270 nan 0.000 0.440 33 Q N 0.266 120.046 119.800 -0.033 0.000 2.523 33 Q HA -0.098 4.243 4.340 0.001 0.000 0.283 33 Q C 0.788 176.732 176.000 -0.093 0.000 1.140 33 Q CA 1.058 56.837 55.803 -0.041 0.000 0.981 33 Q CB 0.278 29.017 28.738 0.002 0.000 1.310 33 Q HN 0.006 nan 8.270 nan 0.000 0.483 34 T N -0.915 113.594 114.554 -0.075 0.000 2.896 34 T HA -0.144 4.207 4.350 0.001 0.000 0.263 34 T C 1.316 175.952 174.700 -0.105 0.000 1.050 34 T CA 1.410 63.454 62.100 -0.093 0.000 1.140 34 T CB -0.229 68.603 68.868 -0.059 0.000 0.877 34 T HN 0.690 nan 8.240 nan 0.000 0.457 35 D N 0.389 120.747 120.400 -0.070 0.000 2.084 35 D HA -0.092 4.548 4.640 0.001 0.000 0.196 35 D C 1.935 178.163 176.300 -0.119 0.000 0.985 35 D CA 1.297 55.267 54.000 -0.051 0.000 0.826 35 D CB -0.069 40.727 40.800 -0.006 0.000 0.978 35 D HN 0.381 nan 8.370 nan 0.000 0.456 36 R N -1.804 118.618 120.500 -0.130 0.000 3.733 36 R HA -0.273 4.067 4.340 0.001 0.000 0.375 36 R C 1.485 177.744 176.300 -0.068 0.000 0.588 36 R CA 1.511 57.473 56.100 -0.230 0.000 1.567 36 R CB -1.771 28.101 30.300 -0.712 0.000 1.933 36 R HN 0.243 nan 8.270 nan 0.000 0.396 37 A N 0.475 123.333 122.820 0.064 0.000 2.095 37 A HA 0.136 4.456 4.320 0.001 0.000 0.212 37 A C 0.769 178.354 177.584 0.001 0.000 1.162 37 A CA 0.496 52.642 52.037 0.183 0.000 0.753 37 A CB -0.214 18.977 19.000 0.318 0.000 0.840 37 A HN 0.463 nan 8.150 nan 0.000 0.468 38 N N 0.406 119.113 118.700 0.012 0.000 2.454 38 N HA 0.111 4.851 4.740 0.001 0.000 0.254 38 N C 0.365 175.863 175.510 -0.019 0.000 1.228 38 N CA 0.704 53.754 53.050 0.001 0.000 0.900 38 N CB 1.070 39.576 38.487 0.031 0.000 1.089 38 N HN -0.009 nan 8.380 nan 0.000 0.449 39 V N 1.443 121.344 119.914 -0.021 0.000 3.480 39 V HA 0.048 4.169 4.120 0.001 0.000 0.263 39 V C 0.235 176.395 176.094 0.110 0.000 1.442 39 V CA -0.064 62.253 62.300 0.027 0.000 1.053 39 V CB 0.197 31.944 31.823 -0.127 0.000 0.846 39 V HN 0.624 nan 8.190 nan 0.000 0.440 40 Q N 1.824 121.657 119.800 0.055 0.000 2.239 40 Q HA 0.144 4.484 4.340 0.001 0.000 0.286 40 Q C -0.173 175.864 176.000 0.062 0.000 1.102 40 Q CA 0.573 56.406 55.803 0.050 0.000 0.936 40 Q CB -0.020 28.736 28.738 0.029 0.000 1.127 40 Q HN 0.539 nan 8.270 nan 0.000 0.380 41 E N 0.317 120.553 120.200 0.059 0.000 5.927 41 E HA -0.189 4.162 4.350 0.001 0.000 0.230 41 E C -0.484 176.150 176.600 0.057 0.000 1.566 41 E CA 0.904 57.332 56.400 0.047 0.000 1.286 41 E CB -0.758 28.960 29.700 0.030 0.000 0.975 41 E HN 0.546 nan 8.360 nan 0.000 0.314 42 V N 2.000 121.942 119.914 0.047 0.000 4.836 42 V HA 0.308 4.428 4.120 0.001 0.000 0.136 42 V C 0.557 176.624 176.094 -0.046 0.000 1.326 42 V CA 1.048 63.360 62.300 0.019 0.000 0.878 42 V CB 0.413 32.287 31.823 0.086 0.000 0.985 42 V HN 0.834 nan 8.190 nan 0.000 0.644 43 G N 0.968 109.737 108.800 -0.052 0.000 4.864 43 G HA2 0.342 4.302 3.960 0.001 0.000 0.280 43 G HA3 0.342 4.302 3.960 0.001 0.000 0.280 43 G C 0.804 175.677 174.900 -0.045 0.000 1.239 43 G CA 0.968 46.007 45.100 -0.103 0.000 0.951 43 G HN 0.852 nan 8.290 nan 0.000 0.583 44 T N -2.819 111.732 114.554 -0.004 0.000 2.977 44 T HA -0.059 4.292 4.350 0.001 0.000 0.271 44 T C 1.512 176.230 174.700 0.030 0.000 1.105 44 T CA 1.324 63.437 62.100 0.021 0.000 1.116 44 T CB 0.144 69.025 68.868 0.021 0.000 0.878 44 T HN 0.327 nan 8.240 nan 0.000 0.509 45 E N 0.667 120.873 120.200 0.009 0.000 2.086 45 E HA 0.109 4.459 4.350 0.001 0.000 0.190 45 E C 2.173 178.803 176.600 0.051 0.000 0.975 45 E CA 0.611 57.028 56.400 0.029 0.000 0.813 45 E CB -0.100 29.602 29.700 0.003 0.000 0.768 45 E HN 0.526 nan 8.360 nan 0.000 0.457 46 L N 0.834 122.054 121.223 -0.006 0.000 2.156 46 L HA -0.145 4.195 4.340 0.001 0.000 0.208 46 L C 2.366 179.225 176.870 -0.019 0.000 1.095 46 L CA 0.985 55.809 54.840 -0.027 0.000 0.770 46 L CB -0.212 41.785 42.059 -0.105 0.000 0.914 46 L HN -0.009 nan 8.230 nan 0.000 0.439 47 K N -0.762 119.622 120.400 -0.027 0.000 2.057 47 K HA -0.235 4.085 4.320 0.001 0.000 0.207 47 K C 2.116 178.764 176.600 0.080 0.000 1.049 47 K CA 1.605 57.888 56.287 -0.006 0.000 0.931 47 K CB -0.315 32.197 32.500 0.019 0.000 0.714 47 K HN 0.273 nan 8.250 nan 0.000 0.440 48 H N 0.786 119.876 119.070 0.033 0.000 2.321 48 H HA -0.077 4.480 4.556 0.001 0.000 0.300 48 H C 1.759 177.136 175.328 0.082 0.000 1.087 48 H CA 2.244 58.324 56.048 0.053 0.000 1.319 48 H CB -0.215 29.568 29.762 0.034 0.000 1.379 48 H HN 0.018 nan 8.280 nan 0.000 0.501 49 T N 1.007 115.606 114.554 0.076 0.000 2.720 49 T HA -0.155 4.195 4.350 0.001 0.000 0.268 49 T C 2.011 176.793 174.700 0.137 0.000 1.037 49 T CA 1.304 63.449 62.100 0.074 0.000 1.144 49 T CB -0.426 68.519 68.868 0.127 0.000 0.864 49 T HN 0.216 nan 8.240 nan 0.000 0.444 50 L N 1.201 122.536 121.223 0.187 0.000 2.005 50 L HA 0.004 4.345 4.340 0.001 0.000 0.207 50 L C 2.481 179.610 176.870 0.433 0.000 1.072 50 L CA 1.946 57.018 54.840 0.387 0.000 0.744 50 L CB -0.647 41.572 42.059 0.267 0.000 0.895 50 L HN 0.267 nan 8.230 nan 0.000 0.433 51 E N -1.280 119.057 120.200 0.229 0.000 2.031 51 E HA -0.241 4.109 4.350 0.001 0.000 0.193 51 E C 2.252 178.908 176.600 0.093 0.000 0.994 51 E CA 1.394 57.929 56.400 0.226 0.000 0.800 51 E CB -0.230 29.518 29.700 0.081 0.000 0.752 51 E HN 0.546 nan 8.360 nan 0.000 0.447 52 S N 0.105 115.724 115.700 -0.135 0.000 2.353 52 S HA -0.215 4.255 4.470 0.001 0.000 0.222 52 S C 1.829 176.314 174.600 -0.191 0.000 1.035 52 S CA 1.707 59.772 58.200 -0.225 0.000 1.025 52 S CB -0.285 62.647 63.200 -0.446 0.000 0.902 52 S HN 0.330 nan 8.310 nan 0.000 0.440 53 E N -0.012 120.097 120.200 -0.151 0.000 2.051 53 E HA -0.092 4.258 4.350 0.001 0.000 0.192 53 E C 2.298 178.463 176.600 -0.726 0.000 0.991 53 E CA 0.969 57.185 56.400 -0.306 0.000 0.799 53 E CB -0.635 29.020 29.700 -0.074 0.000 0.748 53 E HN 0.660 nan 8.360 nan 0.000 0.449 54 G N 1.384 109.722 108.800 -0.771 0.000 2.421 54 G HA2 -0.323 3.638 3.960 0.001 0.000 0.216 54 G HA3 -0.323 3.638 3.960 0.001 0.000 0.216 54 G C 1.544 175.858 174.900 -0.976 0.000 1.171 54 G CA 0.855 45.259 45.100 -1.159 0.000 0.775 54 G HN 0.118 nan 8.290 nan 0.000 0.543 55 R N 0.190 120.342 120.500 -0.580 0.000 2.083 55 R HA -0.110 4.231 4.340 0.001 0.000 0.237 55 R C 2.457 178.515 176.300 -0.404 0.000 1.137 55 R CA 1.659 57.514 56.100 -0.409 0.000 0.951 55 R CB -0.163 30.043 30.300 -0.157 0.000 0.851 55 R HN 0.242 nan 8.270 nan 0.000 0.434 56 E N 0.655 120.636 120.200 -0.366 0.000 2.110 56 E HA -0.187 4.164 4.350 0.001 0.000 0.193 56 E C 2.114 178.490 176.600 -0.373 0.000 0.988 56 E CA 1.048 57.266 56.400 -0.303 0.000 0.804 56 E CB -0.204 29.355 29.700 -0.236 0.000 0.745 56 E HN 0.427 nan 8.360 nan 0.000 0.458 57 L N 0.303 121.210 121.223 -0.527 0.000 2.093 57 L HA -0.143 4.197 4.340 0.001 0.000 0.208 57 L C 2.499 178.956 176.870 -0.689 0.000 1.085 57 L CA 0.576 55.078 54.840 -0.563 0.000 0.755 57 L CB -0.350 41.333 42.059 -0.628 0.000 0.904 57 L HN -0.021 nan 8.230 nan 0.000 0.435 58 V N -0.212 119.207 119.914 -0.826 0.000 2.307 58 V HA -0.267 3.853 4.120 0.001 0.000 0.245 58 V C 2.453 178.299 176.094 -0.413 0.000 1.045 58 V CA 1.681 63.538 62.300 -0.739 0.000 1.024 58 V CB -0.445 30.966 31.823 -0.688 0.000 0.651 58 V HN 0.384 nan 8.190 nan 0.000 0.449 59 K N 0.379 120.584 120.400 -0.325 0.000 2.103 59 K HA -0.128 4.193 4.320 0.001 0.000 0.207 59 K C 2.096 178.591 176.600 -0.174 0.000 1.048 59 K CA 1.503 57.667 56.287 -0.205 0.000 0.930 59 K CB -0.396 32.004 32.500 -0.166 0.000 0.716 59 K HN 0.474 nan 8.250 nan 0.000 0.444 60 A N 0.446 123.146 122.820 -0.201 0.000 2.209 60 A HA -0.028 4.292 4.320 0.001 0.000 0.212 60 A C 1.778 179.280 177.584 -0.138 0.000 1.158 60 A CA 0.921 52.870 52.037 -0.146 0.000 0.742 60 A CB -0.210 18.704 19.000 -0.143 0.000 0.790 60 A HN 0.195 nan 8.150 nan 0.000 0.472 61 L N -1.613 119.499 121.223 -0.186 0.000 2.515 61 L HA 0.268 4.609 4.340 0.001 0.000 0.223 61 L C 1.357 178.164 176.870 -0.105 0.000 1.079 61 L CA 0.106 54.853 54.840 -0.155 0.000 0.857 61 L CB 0.177 42.098 42.059 -0.230 0.000 1.050 61 L HN 0.331 nan 8.230 nan 0.000 0.476 62 L N 0.535 121.695 121.223 -0.106 0.000 2.994 62 L HA -0.065 4.276 4.340 0.001 0.000 0.256 62 L C 0.696 177.549 176.870 -0.027 0.000 1.315 62 L CA 0.318 55.126 54.840 -0.054 0.000 1.143 62 L CB -0.227 41.797 42.059 -0.059 0.000 1.530 62 L HN 0.247 nan 8.230 nan 0.000 0.422 63 D N -0.914 119.470 120.400 -0.027 0.000 2.412 63 D HA -0.060 4.581 4.640 0.001 0.000 0.298 63 D C 1.206 177.505 176.300 -0.001 0.000 1.136 63 D CA 0.422 54.415 54.000 -0.012 0.000 0.988 63 D CB 0.575 41.363 40.800 -0.020 0.000 1.712 63 D HN 0.361 nan 8.370 nan 0.000 0.503 64 E N 0.219 120.413 120.200 -0.010 0.000 2.499 64 E HA 0.274 4.625 4.350 0.001 0.000 0.199 64 E C 0.738 177.330 176.600 -0.013 0.000 1.016 64 E CA -0.123 56.274 56.400 -0.004 0.000 0.933 64 E CB 0.377 30.078 29.700 0.001 0.000 1.050 64 E HN 0.168 nan 8.360 nan 0.000 0.462 65 G N 1.496 110.285 108.800 -0.018 0.000 3.949 65 G HA2 0.051 4.011 3.960 0.001 0.000 0.295 65 G HA3 0.051 4.011 3.960 0.001 0.000 0.295 65 G C 0.437 175.302 174.900 -0.057 0.000 1.286 65 G CA -0.349 44.728 45.100 -0.039 0.000 1.171 65 G HN 0.232 nan 8.290 nan 0.000 0.586 66 N N -0.859 117.823 118.700 -0.030 0.000 1.938 66 N HA -0.098 4.642 4.740 0.001 0.000 0.225 66 N C 1.934 177.440 175.510 -0.005 0.000 1.400 66 N CA 0.789 53.824 53.050 -0.024 0.000 0.772 66 N CB 0.047 38.605 38.487 0.118 0.000 1.124 66 N HN 0.016 nan 8.380 nan 0.000 0.513 67 T N -2.309 112.241 114.554 -0.006 0.000 3.051 67 T HA -0.034 4.316 4.350 0.001 0.000 0.269 67 T C 0.230 174.930 174.700 0.001 0.000 1.127 67 T CA 0.787 62.889 62.100 0.004 0.000 1.107 67 T CB -0.551 68.320 68.868 0.006 0.000 0.898 67 T HN 0.306 nan 8.240 nan 0.000 0.517 68 D N 1.281 121.673 120.400 -0.014 0.000 4.201 68 D HA -0.137 4.503 4.640 0.001 0.000 0.238 68 D C -0.165 176.140 176.300 0.009 0.000 1.070 68 D CA 0.355 54.351 54.000 -0.007 0.000 1.208 68 D CB -0.790 40.013 40.800 0.006 0.000 0.825 68 D HN 0.456 nan 8.370 nan 0.000 0.404 69 E N 2.060 122.264 120.200 0.008 0.000 2.496 69 E HA 0.480 4.831 4.350 0.001 0.000 0.202 69 E C 1.224 177.846 176.600 0.037 0.000 1.021 69 E CA 0.294 56.706 56.400 0.020 0.000 1.015 69 E CB 0.292 30.002 29.700 0.016 0.000 1.102 69 E HN 0.823 nan 8.360 nan 0.000 0.452 70 G N 0.787 109.616 108.800 0.049 0.000 2.619 70 G HA2 -0.270 3.690 3.960 0.001 0.000 0.686 70 G HA3 -0.270 3.690 3.960 0.001 0.000 0.686 70 G C 0.036 175.004 174.900 0.114 0.000 1.256 70 G CA -0.409 44.744 45.100 0.089 0.000 0.826 70 G HN 0.187 nan 8.290 nan 0.000 0.619 71 F N 0.588 120.554 119.950 0.027 0.000 2.134 71 F HA -0.021 4.506 4.527 0.001 0.000 0.299 71 F C 2.326 178.175 175.800 0.082 0.000 1.097 71 F CA 2.541 60.561 58.000 0.035 0.000 1.264 71 F CB 0.063 39.060 39.000 -0.004 0.000 1.001 71 F HN 0.497 nan 8.300 nan 0.000 0.479 72 D N -0.215 120.328 120.400 0.239 0.000 2.123 72 D HA -0.167 4.474 4.640 0.001 0.000 0.196 72 D C 2.462 178.809 176.300 0.079 0.000 0.992 72 D CA 1.705 55.820 54.000 0.191 0.000 0.833 72 D CB -0.449 40.481 40.800 0.216 0.000 0.954 72 D HN 0.275 nan 8.370 nan 0.000 0.455 73 S N 0.483 116.211 115.700 0.046 0.000 2.368 73 S HA -0.103 4.368 4.470 0.001 0.000 0.224 73 S C 2.106 176.686 174.600 -0.033 0.000 1.029 73 S CA 1.033 59.243 58.200 0.016 0.000 0.988 73 S CB -0.135 63.076 63.200 0.018 0.000 0.838 73 S HN 0.361 nan 8.310 nan 0.000 0.462 74 A N 1.051 123.822 122.820 -0.082 0.000 1.877 74 A HA -0.084 4.237 4.320 0.001 0.000 0.216 74 A C 1.904 179.413 177.584 -0.124 0.000 1.186 74 A CA 1.455 53.417 52.037 -0.125 0.000 0.620 74 A CB -0.937 17.961 19.000 -0.170 0.000 0.822 74 A HN 0.476 nan 8.150 nan 0.000 0.443 75 F N 1.035 120.746 119.950 -0.398 0.000 2.171 75 F HA -0.167 4.360 4.527 0.001 0.000 0.300 75 F C 1.823 177.609 175.800 -0.024 0.000 1.090 75 F CA 1.944 59.772 58.000 -0.286 0.000 1.293 75 F CB -0.465 38.238 39.000 -0.495 0.000 1.013 75 F HN 0.387 nan 8.300 nan 0.000 0.486 76 D N -0.241 120.139 120.400 -0.033 0.000 2.117 76 D HA -0.189 4.452 4.640 0.001 0.000 0.198 76 D C 2.162 178.358 176.300 -0.174 0.000 0.982 76 D CA 1.190 55.139 54.000 -0.084 0.000 0.828 76 D CB -0.221 40.579 40.800 -0.000 0.000 0.967 76 D HN 0.276 nan 8.370 nan 0.000 0.464 77 L N 0.110 121.262 121.223 -0.119 0.000 2.056 77 L HA -0.005 4.335 4.340 0.001 0.000 0.207 77 L C 2.006 178.800 176.870 -0.127 0.000 1.078 77 L CA 1.328 56.116 54.840 -0.087 0.000 0.749 77 L CB -0.873 41.163 42.059 -0.039 0.000 0.901 77 L HN 0.193 nan 8.230 nan 0.000 0.433 78 L N -0.029 121.087 121.223 -0.178 0.000 2.127 78 L HA -0.019 4.322 4.340 0.001 0.000 0.211 78 L C 2.260 178.879 176.870 -0.418 0.000 1.089 78 L CA 2.010 56.730 54.840 -0.200 0.000 0.757 78 L CB -1.374 40.599 42.059 -0.143 0.000 0.899 78 L HN 0.314 nan 8.230 nan 0.000 0.434 79 G N -0.694 107.661 108.800 -0.741 0.000 2.421 79 G HA2 -0.301 3.660 3.960 0.001 0.000 0.216 79 G HA3 -0.301 3.660 3.960 0.001 0.000 0.216 79 G C 1.433 175.980 174.900 -0.589 0.000 1.171 79 G CA 0.798 45.190 45.100 -1.180 0.000 0.775 79 G HN 0.460 nan 8.290 nan 0.000 0.543 80 N N 0.491 118.930 118.700 -0.435 0.000 2.084 80 N HA -0.107 4.633 4.740 0.001 0.000 0.190 80 N C 2.368 177.780 175.510 -0.163 0.000 1.030 80 N CA 1.270 54.034 53.050 -0.477 0.000 0.849 80 N CB -0.701 37.342 38.487 -0.740 0.000 1.012 80 N HN 0.188 nan 8.380 nan 0.000 0.423 81 V N 0.890 120.875 119.914 0.118 0.000 2.343 81 V HA -0.161 3.959 4.120 0.001 0.000 0.247 81 V C 2.425 178.634 176.094 0.191 0.000 1.051 81 V CA 2.050 64.510 62.300 0.266 0.000 1.036 81 V CB -1.258 30.652 31.823 0.145 0.000 0.654 81 V HN 0.365 nan 8.190 nan 0.000 0.451 82 G N -0.489 108.340 108.800 0.049 0.000 2.408 82 G HA2 -0.194 3.767 3.960 0.001 0.000 0.217 82 G HA3 -0.194 3.767 3.960 0.001 0.000 0.217 82 G C 1.500 176.499 174.900 0.165 0.000 1.150 82 G CA 0.678 45.874 45.100 0.159 0.000 0.776 82 G HN 0.370 nan 8.290 nan 0.000 0.542 83 L N -0.274 120.911 121.223 -0.064 0.000 2.046 83 L HA 0.142 4.483 4.340 0.001 0.000 0.208 83 L C 1.668 178.644 176.870 0.177 0.000 1.077 83 L CA 0.222 54.976 54.840 -0.144 0.000 0.747 83 L CB -1.050 40.682 42.059 -0.546 0.000 0.896 83 L HN 0.403 nan 8.230 nan 0.000 0.432 87 A N -0.123 122.746 122.820 0.083 0.000 1.898 87 A HA -0.050 4.270 4.320 0.001 0.000 0.216 87 A C 2.095 179.601 177.584 -0.130 0.000 1.181 87 A CA 2.067 54.140 52.037 0.059 0.000 0.620 87 A CB -1.330 17.907 19.000 0.394 0.000 0.819 87 A HN 0.944 nan 8.150 nan 0.000 0.442 88 C N -0.963 118.244 119.300 -0.155 0.000 2.413 88 C HA -0.079 4.382 4.460 0.001 0.000 0.277 88 C C 2.788 177.673 174.990 -0.176 0.000 1.265 88 C CA 1.461 60.378 59.018 -0.168 0.000 1.752 88 C CB -1.243 26.298 27.740 -0.332 0.000 1.998 88 C HN 0.740 nan 8.230 nan 0.000 0.489 89 R N 1.366 121.721 120.500 -0.242 0.000 2.092 89 R HA -0.039 4.301 4.340 0.001 0.000 0.231 89 R C 2.384 178.545 176.300 -0.232 0.000 1.119 89 R CA 1.307 57.307 56.100 -0.166 0.000 0.970 89 R CB -0.738 29.528 30.300 -0.056 0.000 0.864 89 R HN 0.395 nan 8.270 nan 0.000 0.440 90 R N 0.019 120.270 120.500 -0.415 0.000 2.073 90 R HA -0.114 4.226 4.340 0.001 0.000 0.234 90 R C 0.713 176.658 176.300 -0.592 0.000 1.134 90 R CA 1.644 57.330 56.100 -0.690 0.000 0.952 90 R CB -0.493 29.012 30.300 -1.326 0.000 0.850 90 R HN 0.459 nan 8.270 nan 0.000 0.433 91 H N 1.381 120.309 119.070 -0.238 0.000 2.566 91 H HA 0.109 4.666 4.556 0.001 0.000 0.280 91 H C -0.046 175.233 175.328 -0.082 0.000 1.042 91 H CA 0.214 56.194 56.048 -0.115 0.000 1.168 91 H CB -0.139 29.626 29.762 0.006 0.000 1.340 91 H HN 0.367 nan 8.280 nan 0.000 0.597 92 E N 0.000 120.167 120.200 -0.056 0.000 2.551 92 E HA -0.243 4.107 4.350 0.001 0.000 0.251 92 E C 0.881 177.485 176.600 0.007 0.000 1.210 92 E CA 0.310 56.689 56.400 -0.034 0.000 0.725 92 E CB -1.375 28.305 29.700 -0.034 0.000 1.290 92 E HN 0.576 nan 8.360 nan 0.000 0.413 93 I N -0.312 120.270 120.570 0.019 0.000 3.001 93 I HA -0.075 4.095 4.170 0.001 0.000 0.268 93 I C 1.277 177.394 176.117 0.000 0.000 1.267 93 I CA 0.996 62.311 61.300 0.026 0.000 1.472 93 I CB 0.175 38.193 38.000 0.029 0.000 1.089 93 I HN 0.049 nan 8.210 nan 0.000 0.468 94 T N 0.408 114.949 114.554 -0.021 0.000 2.952 94 T HA 0.321 4.672 4.350 0.001 0.000 0.305 94 T C -1.161 173.540 174.700 0.001 0.000 1.064 94 T CA -0.549 61.544 62.100 -0.012 0.000 1.008 94 T CB 1.844 70.689 68.868 -0.039 0.000 1.078 94 T HN -0.034 nan 8.240 nan 0.000 0.459 95 E N 4.473 124.688 120.200 0.024 0.000 2.290 95 E HA 0.361 4.712 4.350 0.001 0.000 0.274 95 E C -2.126 174.503 176.600 0.049 0.000 0.889 95 E CA -2.230 54.187 56.400 0.029 0.000 0.760 95 E CB 2.745 32.453 29.700 0.013 0.000 1.206 95 E HN 0.401 nan 8.360 nan 0.000 0.419 96 P HA -0.198 nan 4.420 nan 0.000 0.208 96 P C 1.217 178.540 177.300 0.037 0.000 1.189 96 P CA 2.400 65.537 63.100 0.061 0.000 0.931 96 P CB -0.267 31.469 31.700 0.059 0.000 0.783 97 T N -1.811 112.758 114.554 0.025 0.000 2.759 97 T HA -0.175 4.176 4.350 0.001 0.000 0.269 97 T C 2.117 176.828 174.700 0.017 0.000 1.042 97 T CA 1.241 63.351 62.100 0.017 0.000 1.140 97 T CB -0.921 67.953 68.868 0.011 0.000 0.864 97 T HN 0.102 nan 8.240 nan 0.000 0.455 98 R N 1.784 122.295 120.500 0.019 0.000 2.152 98 R HA -0.020 4.321 4.340 0.001 0.000 0.232 98 R C 0.463 176.776 176.300 0.021 0.000 1.117 98 R CA 1.040 57.151 56.100 0.018 0.000 0.981 98 R CB 0.039 30.349 30.300 0.016 0.000 0.870 98 R HN 0.608 nan 8.270 nan 0.000 0.451 99 E N -1.958 118.258 120.200 0.027 0.000 2.259 99 E HA 0.104 4.455 4.350 0.001 0.000 0.257 99 E C -0.040 176.578 176.600 0.030 0.000 0.998 99 E CA -0.384 56.034 56.400 0.031 0.000 0.866 99 E CB 1.717 31.442 29.700 0.041 0.000 1.220 99 E HN -0.136 nan 8.360 nan 0.000 0.415 100 T N -1.119 113.453 114.554 0.031 0.000 2.969 100 T HA 0.110 4.461 4.350 0.001 0.000 0.250 100 T C -0.061 174.660 174.700 0.036 0.000 1.021 100 T CA 0.439 62.556 62.100 0.028 0.000 1.003 100 T CB 0.464 69.346 68.868 0.023 0.000 1.040 100 T HN 0.372 nan 8.240 nan 0.000 0.492 101 T N 0.167 114.748 114.554 0.045 0.000 2.885 101 T HA 0.463 4.813 4.350 0.001 0.000 0.322 101 T C -1.167 173.573 174.700 0.067 0.000 1.387 101 T CA -0.418 61.716 62.100 0.058 0.000 1.041 101 T CB 1.584 70.482 68.868 0.050 0.000 1.287 101 T HN 0.035 nan 8.240 nan 0.000 0.491 102 S N 3.259 119.013 115.700 0.089 0.000 2.546 102 S HA 0.229 4.700 4.470 0.001 0.000 0.290 102 S C -1.088 173.552 174.600 0.067 0.000 1.290 102 S CA -0.753 57.503 58.200 0.093 0.000 1.069 102 S CB 0.629 63.904 63.200 0.126 0.000 0.846 102 S HN 0.625 nan 8.310 nan 0.000 0.495 103 P HA 0.076 nan 4.420 nan 0.000 0.236 103 P C -0.129 177.201 177.300 0.049 0.000 1.177 103 P CA 0.468 63.595 63.100 0.045 0.000 0.773 103 P CB -0.009 31.714 31.700 0.038 0.000 0.878 104 L N 0.790 122.048 121.223 0.058 0.000 2.358 104 L HA 0.238 4.579 4.340 0.001 0.000 0.274 104 L C 1.867 178.778 176.870 0.068 0.000 1.136 104 L CA -0.537 54.348 54.840 0.075 0.000 0.970 104 L CB 0.203 42.321 42.059 0.098 0.000 1.314 104 L HN -0.162 nan 8.230 nan 0.000 0.427 105 L N 0.790 122.041 121.223 0.046 0.000 2.005 105 L HA -0.129 4.211 4.340 0.001 0.000 0.207 105 L C 2.430 179.312 176.870 0.021 0.000 1.072 105 L CA 1.096 55.957 54.840 0.034 0.000 0.744 105 L CB -0.326 41.745 42.059 0.020 0.000 0.895 105 L HN 0.616 nan 8.230 nan 0.000 0.433 106 E N 1.123 121.322 120.200 -0.002 0.000 2.023 106 E HA -0.248 4.102 4.350 0.001 0.000 0.196 106 E C 2.293 178.876 176.600 -0.029 0.000 1.003 106 E CA 1.618 57.996 56.400 -0.036 0.000 0.809 106 E CB -0.663 28.986 29.700 -0.086 0.000 0.755 106 E HN 0.458 nan 8.360 nan 0.000 0.449 107 A N 1.382 124.198 122.820 -0.007 0.000 1.978 107 A HA -0.163 4.158 4.320 0.001 0.000 0.220 107 A C 2.516 180.141 177.584 0.069 0.000 1.170 107 A CA 1.921 53.975 52.037 0.029 0.000 0.636 107 A CB -0.613 18.482 19.000 0.159 0.000 0.810 107 A HN 0.211 nan 8.150 nan 0.000 0.448 108 S N -0.633 115.116 115.700 0.081 0.000 2.355 108 S HA 0.003 4.474 4.470 0.001 0.000 0.222 108 S C 2.339 176.985 174.600 0.076 0.000 1.031 108 S CA 1.147 59.405 58.200 0.097 0.000 0.993 108 S CB -0.409 62.853 63.200 0.105 0.000 0.859 108 S HN 0.799 nan 8.310 nan 0.000 0.453 109 A N 0.982 123.834 122.820 0.053 0.000 1.933 109 A HA -0.060 4.260 4.320 0.001 0.000 0.218 109 A C 2.097 179.724 177.584 0.072 0.000 1.175 109 A CA 1.403 53.467 52.037 0.045 0.000 0.628 109 A CB -0.620 18.390 19.000 0.016 0.000 0.814 109 A HN 0.452 nan 8.150 nan 0.000 0.444 110 L N -0.497 120.760 121.223 0.057 0.000 2.072 110 L HA 0.241 4.581 4.340 0.001 0.000 0.205 110 L C 1.722 178.633 176.870 0.070 0.000 1.079 110 L CA 1.241 56.123 54.840 0.070 0.000 0.752 110 L CB -0.872 41.183 42.059 -0.006 0.000 0.906 110 L HN 0.380 nan 8.230 nan 0.000 0.436 114 I N 0.914 121.474 120.570 -0.016 0.000 2.202 114 I HA -0.052 4.119 4.170 0.001 0.000 0.242 114 I C 2.665 178.772 176.117 -0.016 0.000 1.091 114 I CA 1.536 62.774 61.300 -0.103 0.000 1.368 114 I CB -0.471 37.468 38.000 -0.100 0.000 1.058 114 I HN 0.398 nan 8.210 nan 0.000 0.410 115 G N 0.652 109.460 108.800 0.013 0.000 2.440 115 G HA2 -0.269 3.691 3.960 0.001 0.000 0.218 115 G HA3 -0.269 3.691 3.960 0.001 0.000 0.218 115 G C 1.817 176.746 174.900 0.050 0.000 1.154 115 G CA 0.893 46.009 45.100 0.027 0.000 0.767 115 G HN 0.500 nan 8.290 nan 0.000 0.552 116 A N 0.006 122.863 122.820 0.062 0.000 2.014 116 A HA 0.154 4.474 4.320 0.001 0.000 0.218 116 A C 2.563 180.197 177.584 0.083 0.000 1.163 116 A CA 1.989 54.073 52.037 0.078 0.000 0.652 116 A CB -0.434 18.622 19.000 0.093 0.000 0.808 116 A HN 0.346 nan 8.150 nan 0.000 0.449 117 S N -0.426 115.320 115.700 0.077 0.000 2.387 117 S HA -0.026 4.444 4.470 0.001 0.000 0.226 117 S C 1.611 176.257 174.600 0.076 0.000 1.026 117 S CA 1.269 59.507 58.200 0.063 0.000 0.972 117 S CB -0.350 62.847 63.200 -0.004 0.000 0.814 117 S HN 0.714 nan 8.310 nan 0.000 0.477 118 I N -3.017 117.607 120.570 0.091 0.000 4.018 118 I HA 0.492 4.662 4.170 0.001 0.000 0.337 118 I C 0.919 177.166 176.117 0.217 0.000 1.327 118 I CA 0.250 61.663 61.300 0.190 0.000 1.100 118 I CB 0.083 38.170 38.000 0.146 0.000 1.025 118 I HN 0.273 nan 8.210 nan 0.000 0.396 119 G N 2.441 111.319 108.800 0.129 0.000 2.248 119 G HA2 -0.137 3.824 3.960 0.001 0.000 0.252 119 G HA3 -0.137 3.824 3.960 0.001 0.000 0.252 119 G C -0.093 174.868 174.900 0.103 0.000 1.085 119 G CA 0.136 45.296 45.100 0.100 0.000 0.845 119 G HN 0.910 nan 8.290 nan 0.000 0.494 120 V N -3.829 116.145 119.914 0.100 0.000 3.130 120 V HA 0.910 5.030 4.120 0.001 0.000 0.310 120 V C 0.615 176.706 176.094 -0.006 0.000 1.158 120 V CA -0.282 62.066 62.300 0.081 0.000 1.029 120 V CB 1.488 33.415 31.823 0.173 0.000 1.057 120 V HN 0.971 nan 8.190 nan 0.000 0.436 121 T N 2.757 117.236 114.554 -0.125 0.000 2.937 121 T HA 0.261 4.611 4.350 0.001 0.000 0.316 121 T C -1.685 172.841 174.700 -0.289 0.000 1.079 121 T CA -0.321 61.587 62.100 -0.321 0.000 1.131 121 T CB 0.689 69.111 68.868 -0.743 0.000 1.000 121 T HN 0.895 nan 8.240 nan 0.000 0.549 122 P HA 0.181 nan 4.420 nan 0.000 0.246 122 P C -0.478 176.701 177.300 -0.202 0.000 1.686 122 P CA -0.073 62.861 63.100 -0.277 0.000 0.867 122 P CB -0.485 31.040 31.700 -0.292 0.000 1.733 123 R N -2.000 118.407 120.500 -0.155 0.000 2.762 123 R HA 0.468 4.809 4.340 0.001 0.000 0.271 123 R C -0.828 175.569 176.300 0.161 0.000 1.038 123 R CA -1.067 55.056 56.100 0.037 0.000 0.906 123 R CB -0.067 30.166 30.300 -0.111 0.000 1.259 123 R HN -0.219 nan 8.270 nan 0.000 0.457 124 F N 1.667 121.710 119.950 0.156 0.000 2.590 124 F HA 0.463 4.991 4.527 0.001 0.000 0.389 124 F C -0.702 175.276 175.800 0.297 0.000 1.049 124 F CA -0.224 57.904 58.000 0.212 0.000 1.199 124 F CB 0.177 39.332 39.000 0.258 0.000 1.058 124 F HN 0.700 nan 8.300 nan 0.000 0.556 125 A N 4.848 127.880 122.820 0.354 0.000 2.354 125 A HA 0.500 4.821 4.320 0.001 0.000 0.321 125 A C 1.021 178.593 177.584 -0.019 0.000 1.125 125 A CA -0.039 51.979 52.037 -0.031 0.000 0.799 125 A CB 0.892 19.904 19.000 0.019 0.000 1.293 125 A HN 0.808 nan 8.150 nan 0.000 0.452 126 T N 1.389 115.956 114.554 0.022 0.000 2.685 126 T HA -0.229 4.122 4.350 0.001 0.000 0.268 126 T C 2.099 176.926 174.700 0.212 0.000 1.034 126 T CA 2.525 64.717 62.100 0.154 0.000 1.149 126 T CB -0.443 68.520 68.868 0.159 0.000 0.860 126 T HN 0.995 nan 8.240 nan 0.000 0.449 127 A N 0.775 123.690 122.820 0.160 0.000 2.024 127 A HA -0.179 4.142 4.320 0.001 0.000 0.220 127 A C 1.839 179.578 177.584 0.259 0.000 1.164 127 A CA 1.809 53.971 52.037 0.207 0.000 0.643 127 A CB -0.887 18.219 19.000 0.175 0.000 0.806 127 A HN 0.726 nan 8.150 nan 0.000 0.451 128 H N -1.082 118.159 119.070 0.285 0.000 2.421 128 H HA 0.065 4.622 4.556 0.001 0.000 0.298 128 H C 1.623 177.035 175.328 0.140 0.000 1.087 128 H CA 1.406 57.541 56.048 0.145 0.000 1.330 128 H CB 0.013 29.840 29.762 0.108 0.000 1.388 128 H HN 0.394 nan 8.280 nan 0.000 0.526 129 L N -0.409 121.034 121.223 0.366 0.000 2.609 129 L HA 0.059 4.399 4.340 0.001 0.000 0.230 129 L C 1.901 178.878 176.870 0.179 0.000 1.087 129 L CA 0.492 55.472 54.840 0.235 0.000 0.874 129 L CB 0.209 42.449 42.059 0.302 0.000 1.114 129 L HN 0.405 nan 8.230 nan 0.000 0.488 130 T N -4.066 110.589 114.554 0.168 0.000 3.412 130 T HA -0.086 4.264 4.350 0.001 0.000 0.193 130 T C 1.745 176.445 174.700 0.000 0.000 0.810 130 T CA 0.935 63.069 62.100 0.057 0.000 1.910 130 T CB -0.784 68.102 68.868 0.031 0.000 1.974 130 T HN 0.153 nan 8.240 nan 0.000 0.443 131 T N -0.437 114.139 114.554 0.037 0.000 2.962 131 T HA -0.063 4.288 4.350 0.001 0.000 0.270 131 T C 0.794 175.422 174.700 -0.119 0.000 1.088 131 T CA 1.218 63.306 62.100 -0.019 0.000 1.127 131 T CB -0.612 68.295 68.868 0.065 0.000 0.883 131 T HN 0.651 nan 8.240 nan 0.000 0.493 132 H N 0.850 119.956 119.070 0.060 0.000 2.528 132 H HA 0.470 5.026 4.556 0.001 0.000 0.256 132 H C -0.553 174.825 175.328 0.084 0.000 1.204 132 H CA -0.920 55.192 56.048 0.106 0.000 0.955 132 H CB -0.098 29.811 29.762 0.246 0.000 1.817 132 H HN 0.215 nan 8.280 nan 0.000 0.579 133 N N 1.408 120.143 118.700 0.058 0.000 2.621 133 N HA 0.110 4.850 4.740 0.001 0.000 0.237 133 N C -0.523 174.948 175.510 -0.065 0.000 0.997 133 N CA -0.647 52.413 53.050 0.017 0.000 0.918 133 N CB 0.558 39.064 38.487 0.031 0.000 1.122 133 N HN 0.291 nan 8.380 nan 0.000 0.510 134 R N 2.241 122.695 120.500 -0.077 0.000 2.590 134 R HA 0.461 4.801 4.340 0.001 0.000 0.274 134 R C -0.598 175.574 176.300 -0.213 0.000 1.061 134 R CA -0.277 55.739 56.100 -0.140 0.000 1.081 134 R CB 0.422 30.643 30.300 -0.131 0.000 0.984 134 R HN 0.547 nan 8.270 nan 0.000 0.448 135 A N 4.067 126.796 122.820 -0.151 0.000 2.305 135 A HA 0.331 4.651 4.320 0.001 0.000 0.322 135 A C -1.221 176.322 177.584 -0.067 0.000 1.187 135 A CA -0.595 51.406 52.037 -0.059 0.000 0.825 135 A CB 0.669 19.706 19.000 0.062 0.000 1.164 135 A HN 0.962 nan 8.150 nan 0.000 0.498 136 H N 2.284 121.381 119.070 0.045 0.000 2.685 136 H HA 0.288 4.844 4.556 0.001 0.000 0.307 136 H C 0.135 175.472 175.328 0.015 0.000 1.017 136 H CA -0.547 55.511 56.048 0.016 0.000 1.237 136 H CB 0.641 30.402 29.762 -0.002 0.000 1.409 136 H HN 0.874 nan 8.280 nan 0.000 0.488 137 N N 3.148 121.929 118.700 0.134 0.000 2.754 137 N HA -0.208 4.533 4.740 0.001 0.000 0.248 137 N C 1.015 176.563 175.510 0.063 0.000 1.093 137 N CA 1.235 54.330 53.050 0.074 0.000 0.699 137 N CB -0.951 37.568 38.487 0.055 0.000 1.016 137 N HN 1.196 nan 8.380 nan 0.000 0.552 138 G N -1.432 107.415 108.800 0.080 0.000 2.241 138 G HA2 -0.276 3.684 3.960 0.001 0.000 0.244 138 G HA3 -0.276 3.684 3.960 0.001 0.000 0.244 138 G C 0.011 174.988 174.900 0.129 0.000 0.998 138 G CA 0.413 45.570 45.100 0.094 0.000 0.621 138 G HN 0.379 nan 8.290 nan 0.000 0.519 139 I N 1.942 122.554 120.570 0.069 0.000 2.321 139 I HA 0.532 4.702 4.170 0.001 0.000 0.291 139 I C 0.524 176.632 176.117 -0.014 0.000 0.998 139 I CA -1.539 59.732 61.300 -0.048 0.000 1.227 139 I CB 0.101 38.056 38.000 -0.075 0.000 1.368 139 I HN 0.323 nan 8.210 nan 0.000 0.466 140 Y N 3.598 123.831 120.300 -0.113 0.000 2.650 140 Y HA 0.642 5.193 4.550 0.001 0.000 0.331 140 Y C 0.255 176.057 175.900 -0.163 0.000 1.082 140 Y CA -1.564 56.438 58.100 -0.163 0.000 1.171 140 Y CB 0.557 38.934 38.460 -0.138 0.000 1.326 140 Y HN 0.291 nan 8.280 nan 0.000 0.513 141 K N 1.541 121.915 120.400 -0.043 0.000 2.469 141 K HA 0.249 4.569 4.320 0.001 0.000 0.274 141 K C -0.587 175.891 176.600 -0.203 0.000 0.983 141 K CA 0.080 56.263 56.287 -0.173 0.000 0.974 141 K CB 0.305 32.675 32.500 -0.217 0.000 0.913 141 K HN 0.866 nan 8.250 nan 0.000 0.493 142 R N 0.351 120.675 120.500 -0.295 0.000 2.728 142 R HA 0.188 4.529 4.340 0.001 0.000 0.274 142 R C -0.514 175.581 176.300 -0.341 0.000 1.032 142 R CA -0.923 54.988 56.100 -0.314 0.000 0.866 142 R CB -0.064 30.099 30.300 -0.228 0.000 1.263 142 R HN 0.289 nan 8.270 nan 0.000 0.475 143 F N 0.747 120.557 119.950 -0.233 0.000 2.123 143 F HA 0.079 4.606 4.527 0.001 0.000 0.289 143 F C 1.592 177.132 175.800 -0.433 0.000 1.099 143 F CA 1.624 59.364 58.000 -0.433 0.000 1.234 143 F CB 0.131 38.542 39.000 -0.982 0.000 1.034 143 F HN 0.761 nan 8.300 nan 0.000 0.479 144 T N -2.626 111.853 114.554 -0.124 0.000 2.883 144 T HA 0.340 4.691 4.350 0.001 0.000 0.284 144 T C -0.107 174.539 174.700 -0.090 0.000 1.041 144 T CA -0.355 61.678 62.100 -0.110 0.000 1.007 144 T CB 1.744 70.579 68.868 -0.055 0.000 1.220 144 T HN 0.116 nan 8.240 nan 0.000 0.552 145 D N -0.243 120.110 120.400 -0.077 0.000 2.368 145 D HA 0.152 4.792 4.640 0.001 0.000 0.218 145 D C 0.349 176.623 176.300 -0.043 0.000 1.112 145 D CA -0.427 53.529 54.000 -0.074 0.000 0.834 145 D CB -0.614 40.140 40.800 -0.076 0.000 0.953 145 D HN 0.487 nan 8.370 nan 0.000 0.505 146 L N 0.902 122.111 121.223 -0.023 0.000 2.462 146 L HA 0.148 4.489 4.340 0.001 0.000 0.272 146 L C -1.148 175.737 176.870 0.025 0.000 1.166 146 L CA -1.285 53.554 54.840 -0.002 0.000 0.880 146 L CB 0.669 42.730 42.059 0.003 0.000 1.142 146 L HN -0.212 nan 8.230 nan 0.000 0.473 147 P HA -0.170 nan 4.420 nan 0.000 0.217 147 P C 0.807 178.164 177.300 0.095 0.000 1.148 147 P CA 1.086 64.216 63.100 0.051 0.000 0.828 147 P CB 0.207 31.935 31.700 0.047 0.000 0.783 148 D N -0.961 119.502 120.400 0.106 0.000 2.183 148 D HA -0.141 4.499 4.640 0.001 0.000 0.203 148 D C 1.893 178.330 176.300 0.229 0.000 0.969 148 D CA 0.834 54.931 54.000 0.161 0.000 0.842 148 D CB -0.114 40.777 40.800 0.152 0.000 0.957 148 D HN 0.337 nan 8.370 nan 0.000 0.484 149 E N 1.221 121.545 120.200 0.205 0.000 2.072 149 E HA -0.184 4.167 4.350 0.001 0.000 0.191 149 E C 2.014 178.794 176.600 0.300 0.000 0.985 149 E CA 0.749 57.322 56.400 0.287 0.000 0.801 149 E CB 0.139 29.963 29.700 0.207 0.000 0.750 149 E HN 0.076 nan 8.360 nan 0.000 0.452 150 K N 0.525 121.036 120.400 0.185 0.000 2.063 150 K HA -0.167 4.153 4.320 0.001 0.000 0.208 150 K C 2.258 178.970 176.600 0.187 0.000 1.048 150 K CA 1.182 57.562 56.287 0.156 0.000 0.928 150 K CB -0.106 32.438 32.500 0.075 0.000 0.713 150 K HN 0.165 nan 8.250 nan 0.000 0.442 151 L N -0.004 121.352 121.223 0.221 0.000 2.046 151 L HA -0.159 4.181 4.340 0.001 0.000 0.208 151 L C 2.418 179.509 176.870 0.369 0.000 1.077 151 L CA 0.969 55.980 54.840 0.286 0.000 0.747 151 L CB -0.463 41.776 42.059 0.300 0.000 0.896 151 L HN 0.198 nan 8.230 nan 0.000 0.432 152 F N 0.306 120.369 119.950 0.188 0.000 2.075 152 F HA -0.190 4.337 4.527 0.001 0.000 0.297 152 F C 2.284 178.196 175.800 0.186 0.000 1.113 152 F CA 1.539 59.638 58.000 0.166 0.000 1.218 152 F CB -0.410 38.718 39.000 0.213 0.000 0.984 152 F HN -0.270 nan 8.300 nan 0.000 0.472 153 V N 0.534 120.587 119.914 0.231 0.000 2.261 153 V HA -0.314 3.807 4.120 0.001 0.000 0.246 153 V C 2.169 178.270 176.094 0.012 0.000 1.047 153 V CA 2.268 64.640 62.300 0.120 0.000 1.015 153 V CB -0.797 31.185 31.823 0.264 0.000 0.642 153 V HN 0.236 nan 8.190 nan 0.000 0.446 154 D N -0.850 119.561 120.400 0.018 0.000 2.106 154 D HA -0.200 4.441 4.640 0.001 0.000 0.191 154 D C 2.025 178.190 176.300 -0.225 0.000 0.997 154 D CA 1.731 55.648 54.000 -0.139 0.000 0.834 154 D CB -0.392 40.275 40.800 -0.221 0.000 0.956 154 D HN 0.547 nan 8.370 nan 0.000 0.448 155 Y N 0.806 121.064 120.300 -0.071 0.000 2.373 155 Y HA 0.021 4.572 4.550 0.001 0.000 0.293 155 Y C 2.105 177.905 175.900 -0.166 0.000 1.129 155 Y CA 0.578 58.607 58.100 -0.119 0.000 1.226 155 Y CB -0.456 37.930 38.460 -0.123 0.000 1.000 155 Y HN 0.064 nan 8.280 nan 0.000 0.549 156 N N -0.985 117.661 118.700 -0.091 0.000 2.142 156 N HA -0.150 4.591 4.740 0.001 0.000 0.186 156 N C 1.562 176.990 175.510 -0.137 0.000 1.023 156 N CA 1.601 54.548 53.050 -0.171 0.000 0.852 156 N CB -0.055 38.231 38.487 -0.335 0.000 0.998 156 N HN 0.225 nan 8.380 nan 0.000 0.424 157 T N 1.473 115.950 114.554 -0.130 0.000 2.684 157 T HA -0.125 4.225 4.350 0.001 0.000 0.267 157 T C 1.689 176.308 174.700 -0.135 0.000 1.036 157 T CA 1.168 63.185 62.100 -0.138 0.000 1.148 157 T CB -0.127 68.654 68.868 -0.144 0.000 0.863 157 T HN 0.252 nan 8.240 nan 0.000 0.436 158 K N 0.604 120.933 120.400 -0.117 0.000 2.057 158 K HA -0.034 4.287 4.320 0.001 0.000 0.207 158 K C 2.683 179.235 176.600 -0.080 0.000 1.049 158 K CA 1.263 57.494 56.287 -0.093 0.000 0.931 158 K CB -0.517 31.941 32.500 -0.070 0.000 0.714 158 K HN 0.393 nan 8.250 nan 0.000 0.440 159 G N 1.469 110.227 108.800 -0.069 0.000 2.402 159 G HA2 -0.210 3.751 3.960 0.001 0.000 0.216 159 G HA3 -0.210 3.751 3.960 0.001 0.000 0.216 159 G C 1.526 176.406 174.900 -0.033 0.000 1.162 159 G CA 0.566 45.619 45.100 -0.079 0.000 0.777 159 G HN 0.125 nan 8.290 nan 0.000 0.539 160 I N 0.340 120.842 120.570 -0.113 0.000 2.179 160 I HA -0.112 4.059 4.170 0.001 0.000 0.242 160 I C 2.660 178.692 176.117 -0.141 0.000 1.088 160 I CA 0.700 61.806 61.300 -0.324 0.000 1.357 160 I CB -0.161 37.483 38.000 -0.593 0.000 1.051 160 I HN 0.120 nan 8.210 nan 0.000 0.409 161 L N 0.347 121.506 121.223 -0.105 0.000 2.141 161 L HA -0.171 4.169 4.340 0.001 0.000 0.209 161 L C 2.800 179.672 176.870 0.003 0.000 1.094 161 L CA 1.129 55.941 54.840 -0.047 0.000 0.763 161 L CB -0.703 41.314 42.059 -0.070 0.000 0.908 161 L HN 0.238 nan 8.230 nan 0.000 0.437 162 A N -0.774 122.032 122.820 -0.023 0.000 1.898 162 A HA -0.220 4.100 4.320 0.001 0.000 0.216 162 A C 2.041 179.646 177.584 0.035 0.000 1.181 162 A CA 1.242 53.254 52.037 -0.042 0.000 0.620 162 A CB -0.746 18.174 19.000 -0.133 0.000 0.819 162 A HN 0.317 nan 8.150 nan 0.000 0.442 163 Y N 0.506 120.867 120.300 0.101 0.000 2.274 163 Y HA -0.147 4.404 4.550 0.001 0.000 0.290 163 Y C 2.364 178.377 175.900 0.189 0.000 1.145 163 Y CA 1.622 59.841 58.100 0.198 0.000 1.203 163 Y CB -0.152 38.567 38.460 0.432 0.000 0.984 163 Y HN 0.301 nan 8.280 nan 0.000 0.533 164 K N -0.409 120.191 120.400 0.332 0.000 2.103 164 K HA -0.108 4.213 4.320 0.001 0.000 0.204 164 K C 2.149 178.826 176.600 0.128 0.000 1.052 164 K CA 1.008 57.429 56.287 0.222 0.000 0.945 164 K CB -0.137 32.460 32.500 0.163 0.000 0.722 164 K HN 0.259 nan 8.250 nan 0.000 0.443 165 R N 0.502 121.056 120.500 0.090 0.000 2.120 165 R HA -0.082 4.258 4.340 0.001 0.000 0.234 165 R C 2.344 178.676 176.300 0.053 0.000 1.123 165 R CA 1.180 57.309 56.100 0.049 0.000 0.975 165 R CB -0.299 30.013 30.300 0.020 0.000 0.866 165 R HN 0.170 nan 8.270 nan 0.000 0.446 166 A N 1.157 124.024 122.820 0.079 0.000 1.873 166 A HA -0.177 4.144 4.320 0.001 0.000 0.215 166 A C 2.267 179.888 177.584 0.062 0.000 1.186 166 A CA 1.842 53.921 52.037 0.070 0.000 0.616 166 A CB -0.573 18.492 19.000 0.107 0.000 0.823 166 A HN 0.424 nan 8.150 nan 0.000 0.442 167 S N 0.226 115.978 115.700 0.087 0.000 2.383 167 S HA -0.180 4.290 4.470 0.001 0.000 0.227 167 S C 1.393 176.014 174.600 0.034 0.000 1.026 167 S CA 1.501 59.730 58.200 0.049 0.000 0.981 167 S CB -0.547 62.685 63.200 0.053 0.000 0.818 167 S HN 0.475 nan 8.310 nan 0.000 0.472 168 D N 2.557 122.982 120.400 0.042 0.000 2.117 168 D HA 0.052 4.692 4.640 0.001 0.000 0.197 168 D C 2.286 178.594 176.300 0.012 0.000 0.987 168 D CA 1.560 55.574 54.000 0.024 0.000 0.829 168 D CB -0.737 40.078 40.800 0.025 0.000 0.961 168 D HN 0.571 nan 8.370 nan 0.000 0.460 169 A N 0.314 123.143 122.820 0.015 0.000 1.930 169 A HA -0.107 4.214 4.320 0.001 0.000 0.217 169 A C 2.056 179.645 177.584 0.008 0.000 1.175 169 A CA 0.782 52.824 52.037 0.008 0.000 0.627 169 A CB -0.521 18.485 19.000 0.010 0.000 0.815 169 A HN 0.129 nan 8.150 nan 0.000 0.443 170 L N -0.226 121.006 121.223 0.015 0.000 2.046 170 L HA -0.095 4.245 4.340 0.001 0.000 0.208 170 L C 2.452 179.325 176.870 0.005 0.000 1.077 170 L CA 1.407 56.258 54.840 0.019 0.000 0.747 170 L CB -0.943 41.128 42.059 0.019 0.000 0.896 170 L HN 0.380 nan 8.230 nan 0.000 0.432 171 L N -0.926 120.296 121.223 -0.001 0.000 2.083 171 L HA -0.233 4.107 4.340 0.001 0.000 0.209 171 L C 2.136 178.992 176.870 -0.022 0.000 1.083 171 L CA 1.129 55.963 54.840 -0.010 0.000 0.752 171 L CB -0.504 41.550 42.059 -0.008 0.000 0.899 171 L HN 0.215 nan 8.230 nan 0.000 0.433 172 K N 0.025 120.411 120.400 -0.023 0.000 2.574 172 K HA -0.021 4.300 4.320 0.001 0.000 0.193 172 K C 1.728 178.293 176.600 -0.058 0.000 1.035 172 K CA 0.612 56.876 56.287 -0.039 0.000 0.982 172 K CB 0.034 32.512 32.500 -0.036 0.000 0.795 172 K HN 0.382 nan 8.250 nan 0.000 0.491 173 I N 0.304 120.846 120.570 -0.046 0.000 3.035 173 I HA -0.180 3.990 4.170 0.001 0.000 0.271 173 I C 2.598 178.669 176.117 -0.075 0.000 1.190 173 I CA 0.366 61.630 61.300 -0.060 0.000 1.472 173 I CB -0.048 37.935 38.000 -0.030 0.000 1.116 173 I HN 0.219 nan 8.210 nan 0.000 0.443 174 Q N 2.058 121.822 119.800 -0.061 0.000 2.096 174 Q HA -0.209 4.131 4.340 0.001 0.000 0.208 174 Q C -0.548 175.410 176.000 -0.070 0.000 0.993 174 Q CA 2.167 57.933 55.803 -0.063 0.000 0.862 174 Q CB -1.017 27.694 28.738 -0.046 0.000 0.915 174 Q HN 0.361 nan 8.270 nan 0.000 0.416 175 P HA -0.012 nan 4.420 nan 0.000 0.235 175 P C 1.279 178.528 177.300 -0.085 0.000 1.177 175 P CA 0.662 63.720 63.100 -0.070 0.000 0.785 175 P CB 0.030 31.692 31.700 -0.064 0.000 0.885 176 L N -1.154 119.996 121.223 -0.120 0.000 2.168 176 L HA 0.292 4.633 4.340 0.001 0.000 0.203 176 L C 1.166 177.999 176.870 -0.062 0.000 1.078 176 L CA 0.878 55.626 54.840 -0.153 0.000 0.780 176 L CB -0.971 40.886 42.059 -0.337 0.000 0.939 176 L HN 0.089 nan 8.230 nan 0.000 0.451 177 G N 0.278 109.016 108.800 -0.104 0.000 2.650 177 G HA2 -0.185 3.776 3.960 0.001 0.000 0.686 177 G HA3 -0.185 3.776 3.960 0.001 0.000 0.686 177 G C 0.265 175.053 174.900 -0.187 0.000 1.205 177 G CA -0.207 44.801 45.100 -0.153 0.000 0.781 177 G HN 0.326 nan 8.290 nan 0.000 0.648 178 I N -0.789 119.598 120.570 -0.305 0.000 2.916 178 I HA 0.055 4.225 4.170 0.001 0.000 0.267 178 I C 2.043 177.997 176.117 -0.272 0.000 1.263 178 I CA 1.898 62.986 61.300 -0.354 0.000 1.471 178 I CB -0.223 37.280 38.000 -0.828 0.000 1.089 178 I HN 0.711 nan 8.210 nan 0.000 0.468 179 S N -1.068 114.294 115.700 -0.564 0.000 2.535 179 S HA 0.023 4.494 4.470 0.001 0.000 0.214 179 S C 0.784 175.130 174.600 -0.422 0.000 0.980 179 S CA -0.322 57.287 58.200 -0.984 0.000 0.907 179 S CB -0.753 61.215 63.200 -2.054 0.000 0.790 179 S HN 0.662 nan 8.310 nan 0.000 0.510 180 H N 3.802 122.706 119.070 -0.275 0.000 2.848 180 H HA 0.211 4.767 4.556 0.001 0.000 0.341 180 H C -1.262 174.054 175.328 -0.021 0.000 1.060 180 H CA -1.164 54.802 56.048 -0.137 0.000 1.444 180 H CB 1.088 30.787 29.762 -0.106 0.000 1.446 180 H HN 0.039 nan 8.280 nan 0.000 0.583 181 P HA -0.201 nan 4.420 nan 0.000 0.218 181 P C 1.261 178.727 177.300 0.276 0.000 1.149 181 P CA 1.024 64.237 63.100 0.189 0.000 0.817 181 P CB 0.366 32.111 31.700 0.076 0.000 0.785 182 I N 0.150 120.969 120.570 0.416 0.000 2.493 182 I HA -0.109 4.062 4.170 0.001 0.000 0.254 182 I C 2.210 178.392 176.117 0.109 0.000 1.160 182 I CA 1.153 62.558 61.300 0.176 0.000 1.445 182 I CB -1.688 36.308 38.000 -0.007 0.000 1.086 182 I HN -0.037 nan 8.210 nan 0.000 0.433 183 S N -0.456 115.317 115.700 0.122 0.000 2.419 183 S HA -0.210 4.260 4.470 0.001 0.000 0.233 183 S C 1.985 176.673 174.600 0.147 0.000 1.016 183 S CA 0.888 59.144 58.200 0.094 0.000 0.974 183 S CB -0.527 62.726 63.200 0.089 0.000 0.786 183 S HN 0.510 nan 8.310 nan 0.000 0.492 184 H N 1.830 120.971 119.070 0.118 0.000 2.321 184 H HA -0.094 4.462 4.556 0.001 0.000 0.300 184 H C 1.515 176.892 175.328 0.082 0.000 1.087 184 H CA 1.753 57.871 56.048 0.117 0.000 1.319 184 H CB -0.264 29.570 29.762 0.120 0.000 1.379 184 H HN 0.421 nan 8.280 nan 0.000 0.501 185 D N 0.671 121.179 120.400 0.181 0.000 2.123 185 D HA -0.157 4.484 4.640 0.001 0.000 0.196 185 D C 2.532 178.849 176.300 0.028 0.000 0.992 185 D CA 0.999 55.059 54.000 0.100 0.000 0.833 185 D CB -0.068 40.791 40.800 0.100 0.000 0.954 185 D HN 0.387 nan 8.370 nan 0.000 0.455 186 L N 0.387 121.626 121.223 0.028 0.000 2.046 186 L HA -0.191 4.149 4.340 0.001 0.000 0.208 186 L C 2.513 179.384 176.870 0.002 0.000 1.077 186 L CA 0.426 55.273 54.840 0.011 0.000 0.747 186 L CB -0.309 41.755 42.059 0.007 0.000 0.896 186 L HN 0.048 nan 8.230 nan 0.000 0.432 187 L N -0.053 121.168 121.223 -0.005 0.000 2.083 187 L HA -0.202 4.138 4.340 0.001 0.000 0.209 187 L C 2.727 179.557 176.870 -0.067 0.000 1.083 187 L CA 1.650 56.479 54.840 -0.018 0.000 0.752 187 L CB -0.857 41.187 42.059 -0.024 0.000 0.899 187 L HN 0.210 nan 8.230 nan 0.000 0.433 188 R N -1.099 119.339 120.500 -0.104 0.000 2.075 188 R HA -0.106 4.235 4.340 0.001 0.000 0.232 188 R C 2.135 178.414 176.300 -0.035 0.000 1.126 188 R CA 1.432 57.482 56.100 -0.083 0.000 0.963 188 R CB -0.175 30.084 30.300 -0.069 0.000 0.858 188 R HN 0.210 nan 8.270 nan 0.000 0.435 189 V N 0.774 120.677 119.914 -0.019 0.000 2.407 189 V HA -0.227 3.894 4.120 0.001 0.000 0.248 189 V C 2.127 178.216 176.094 -0.009 0.000 1.055 189 V CA 2.290 64.585 62.300 -0.008 0.000 1.049 189 V CB -0.499 31.324 31.823 -0.000 0.000 0.662 189 V HN 0.492 nan 8.190 nan 0.000 0.455 190 T N -0.655 113.894 114.554 -0.009 0.000 2.821 190 T HA -0.214 4.136 4.350 0.001 0.000 0.267 190 T C 1.946 176.636 174.700 -0.015 0.000 1.046 190 T CA 1.622 63.719 62.100 -0.004 0.000 1.139 190 T CB -0.154 68.716 68.868 0.002 0.000 0.871 190 T HN 0.455 nan 8.240 nan 0.000 0.454 191 K N 0.680 121.063 120.400 -0.028 0.000 2.026 191 K HA -0.186 4.134 4.320 0.001 0.000 0.208 191 K C 2.509 179.091 176.600 -0.030 0.000 1.048 191 K CA 1.381 57.647 56.287 -0.034 0.000 0.929 191 K CB -0.102 32.371 32.500 -0.045 0.000 0.713 191 K HN 0.100 nan 8.250 nan 0.000 0.439 192 Q N 0.650 120.434 119.800 -0.026 0.000 2.084 192 Q HA -0.094 4.246 4.340 0.001 0.000 0.202 192 Q C 1.717 177.697 176.000 -0.034 0.000 0.978 192 Q CA 2.128 57.915 55.803 -0.026 0.000 0.844 192 Q CB -0.434 28.293 28.738 -0.018 0.000 0.898 192 Q HN 0.398 nan 8.270 nan 0.000 0.426 193 A N -0.325 122.477 122.820 -0.030 0.000 1.933 193 A HA -0.116 4.205 4.320 0.001 0.000 0.218 193 A C 1.903 179.440 177.584 -0.077 0.000 1.175 193 A CA 1.340 53.352 52.037 -0.041 0.000 0.628 193 A CB -0.584 18.407 19.000 -0.015 0.000 0.814 193 A HN 0.420 nan 8.150 nan 0.000 0.444 194 L N -0.190 120.998 121.223 -0.059 0.000 2.156 194 L HA -0.119 4.221 4.340 0.001 0.000 0.208 194 L C 2.564 179.382 176.870 -0.086 0.000 1.095 194 L CA 1.705 56.501 54.840 -0.075 0.000 0.770 194 L CB -0.825 41.230 42.059 -0.007 0.000 0.914 194 L HN 0.485 nan 8.230 nan 0.000 0.439 195 Q N -0.972 118.791 119.800 -0.061 0.000 2.172 195 Q HA -0.169 4.172 4.340 0.001 0.000 0.200 195 Q C 1.548 177.507 176.000 -0.069 0.000 0.964 195 Q CA 1.266 57.037 55.803 -0.053 0.000 0.855 195 Q CB -0.044 28.672 28.738 -0.037 0.000 0.918 195 Q HN 0.461 nan 8.270 nan 0.000 0.444 196 D N 0.223 120.576 120.400 -0.078 0.000 2.178 196 D HA -0.117 4.523 4.640 0.001 0.000 0.201 196 D C 1.941 178.171 176.300 -0.117 0.000 0.980 196 D CA 0.778 54.729 54.000 -0.080 0.000 0.842 196 D CB -0.086 40.670 40.800 -0.073 0.000 0.948 196 D HN 0.037 nan 8.370 nan 0.000 0.472 197 V N 1.417 121.221 119.914 -0.182 0.000 2.295 197 V HA -0.211 3.909 4.120 0.001 0.000 0.246 197 V C 2.462 178.458 176.094 -0.164 0.000 1.049 197 V CA 0.940 63.085 62.300 -0.259 0.000 1.024 197 V CB -0.226 31.291 31.823 -0.511 0.000 0.648 197 V HN 0.170 nan 8.190 nan 0.000 0.447 198 I N 0.395 120.898 120.570 -0.112 0.000 2.127 198 I HA -0.242 3.928 4.170 0.001 0.000 0.241 198 I C 2.641 178.710 176.117 -0.081 0.000 1.075 198 I CA 2.226 63.491 61.300 -0.059 0.000 1.334 198 I CB -1.151 36.830 38.000 -0.032 0.000 1.040 198 I HN 0.462 nan 8.210 nan 0.000 0.405 199 E N 0.854 121.005 120.200 -0.081 0.000 2.051 199 E HA -0.201 4.150 4.350 0.001 0.000 0.192 199 E C 2.390 178.910 176.600 -0.134 0.000 0.991 199 E CA 1.987 58.337 56.400 -0.084 0.000 0.799 199 E CB -0.331 29.337 29.700 -0.053 0.000 0.748 199 E HN 0.239 nan 8.360 nan 0.000 0.449 200 S N -0.280 115.347 115.700 -0.120 0.000 2.359 200 S HA -0.166 4.305 4.470 0.001 0.000 0.224 200 S C 1.764 176.157 174.600 -0.346 0.000 1.035 200 S CA 1.546 59.679 58.200 -0.112 0.000 1.018 200 S CB -0.472 62.703 63.200 -0.042 0.000 0.876 200 S HN 0.360 nan 8.310 nan 0.000 0.448 201 N N 0.836 119.304 118.700 -0.386 0.000 2.142 201 N HA -0.085 4.655 4.740 0.001 0.000 0.186 201 N C 1.868 176.683 175.510 -1.159 0.000 1.023 201 N CA 1.178 53.754 53.050 -0.790 0.000 0.852 201 N CB -0.773 37.445 38.487 -0.448 0.000 0.998 201 N HN 0.448 nan 8.380 nan 0.000 0.424 202 Q N 1.161 120.658 119.800 -0.504 0.000 2.096 202 Q HA -0.121 4.219 4.340 0.001 0.000 0.204 202 Q C 1.864 177.661 176.000 -0.338 0.000 0.982 202 Q CA 1.495 57.154 55.803 -0.240 0.000 0.850 202 Q CB -0.129 28.562 28.738 -0.077 0.000 0.901 202 Q HN 0.269 nan 8.270 nan 0.000 0.422 203 Q N -0.337 119.199 119.800 -0.440 0.000 2.061 203 Q HA -0.173 4.167 4.340 0.001 0.000 0.204 203 Q C 2.138 177.717 176.000 -0.703 0.000 0.984 203 Q CA 1.442 56.940 55.803 -0.508 0.000 0.846 203 Q CB -0.571 27.819 28.738 -0.580 0.000 0.902 203 Q HN 0.424 nan 8.270 nan 0.000 0.421 204 L N 0.129 120.739 121.223 -1.021 0.000 2.046 204 L HA -0.136 4.205 4.340 0.001 0.000 0.208 204 L C 1.969 178.689 176.870 -0.250 0.000 1.077 204 L CA 1.635 56.041 54.840 -0.724 0.000 0.747 204 L CB -0.625 41.052 42.059 -0.637 0.000 0.896 204 L HN 0.013 nan 8.230 nan 0.000 0.432 205 F N -0.132 119.729 119.950 -0.147 0.000 2.365 205 F HA -0.055 4.473 4.527 0.001 0.000 0.300 205 F C 1.991 177.758 175.800 -0.055 0.000 1.090 205 F CA 0.898 58.854 58.000 -0.072 0.000 1.408 205 F CB -1.348 37.617 39.000 -0.057 0.000 1.060 205 F HN 0.315 nan 8.300 nan 0.000 0.534 206 N N -0.510 118.229 118.700 0.065 0.000 2.230 206 N HA 0.119 4.860 4.740 0.001 0.000 0.202 206 N C 1.151 176.676 175.510 0.025 0.000 1.119 206 N CA -0.054 53.020 53.050 0.041 0.000 0.851 206 N CB 0.299 38.793 38.487 0.012 0.000 0.990 206 N HN 0.214 nan 8.380 nan 0.000 0.497 207 R N -0.365 120.145 120.500 0.017 0.000 2.568 207 R HA 0.196 4.537 4.340 0.001 0.000 0.254 207 R C -0.440 175.911 176.300 0.085 0.000 0.925 207 R CA -0.367 55.761 56.100 0.047 0.000 1.025 207 R CB 0.578 30.905 30.300 0.046 0.000 1.428 207 R HN -0.008 nan 8.270 nan 0.000 0.573 208 L N 2.404 123.681 121.223 0.089 0.000 2.380 208 L HA 0.184 4.525 4.340 0.001 0.000 0.273 208 L C -0.320 176.632 176.870 0.137 0.000 1.138 208 L CA 0.031 54.940 54.840 0.116 0.000 0.832 208 L CB 0.830 42.942 42.059 0.088 0.000 1.124 208 L HN -0.065 nan 8.230 nan 0.000 0.454 209 D N 2.737 123.230 120.400 0.155 0.000 2.393 209 D HA 0.031 4.671 4.640 0.001 0.000 0.232 209 D C 1.263 177.704 176.300 0.234 0.000 1.192 209 D CA 0.478 54.584 54.000 0.176 0.000 0.882 209 D CB 1.065 41.964 40.800 0.165 0.000 1.038 209 D HN 0.798 nan 8.370 nan 0.000 0.499 210 T N 1.137 115.842 114.554 0.251 0.000 2.714 210 T HA -0.286 4.064 4.350 0.001 0.000 0.268 210 T C 1.167 176.074 174.700 0.345 0.000 1.036 210 T CA 1.638 63.951 62.100 0.355 0.000 1.148 210 T CB -0.093 68.959 68.868 0.306 0.000 0.856 210 T HN 0.277 nan 8.240 nan 0.000 0.462 211 D N 0.354 120.942 120.400 0.313 0.000 2.120 211 D HA 0.082 4.722 4.640 0.001 0.000 0.202 211 D C 2.574 179.162 176.300 0.479 0.000 0.972 211 D CA 0.428 54.676 54.000 0.412 0.000 0.837 211 D CB -0.060 40.996 40.800 0.428 0.000 0.989 211 D HN 0.086 nan 8.370 nan 0.000 0.469 212 R N -0.082 120.625 120.500 0.345 0.000 2.120 212 R HA -0.092 4.249 4.340 0.001 0.000 0.234 212 R C 2.099 178.485 176.300 0.144 0.000 1.123 212 R CA 0.595 56.797 56.100 0.170 0.000 0.975 212 R CB -0.739 29.604 30.300 0.072 0.000 0.866 212 R HN 0.336 nan 8.270 nan 0.000 0.446 213 F N -0.231 119.719 119.950 0.001 0.000 2.187 213 F HA -0.129 4.398 4.527 0.001 0.000 0.295 213 F C 2.042 177.686 175.800 -0.259 0.000 1.091 213 F CA 0.933 58.830 58.000 -0.172 0.000 1.308 213 F CB -0.332 38.500 39.000 -0.279 0.000 1.030 213 F HN -0.066 nan 8.300 nan 0.000 0.487 214 F N -0.391 119.234 119.950 -0.541 0.000 2.293 214 F HA -0.132 4.395 4.527 0.001 0.000 0.300 214 F C 1.177 176.590 175.800 -0.645 0.000 1.086 214 F CA 1.545 59.096 58.000 -0.748 0.000 1.375 214 F CB -0.406 38.251 39.000 -0.572 0.000 1.045 214 F HN 0.047 nan 8.300 nan 0.000 0.516 215 Y N -2.662 117.660 120.300 0.037 0.000 2.498 215 Y HA 0.084 4.635 4.550 0.001 0.000 0.259 215 Y C 2.009 177.870 175.900 -0.066 0.000 1.086 215 Y CA 0.372 58.494 58.100 0.035 0.000 1.287 215 Y CB -0.063 38.582 38.460 0.308 0.000 1.146 215 Y HN 0.018 nan 8.280 nan 0.000 0.523 216 C N -1.791 117.537 119.300 0.047 0.000 3.403 216 C HA 0.301 4.761 4.460 0.001 0.000 0.317 216 C C 1.830 176.865 174.990 0.076 0.000 1.346 216 C CA -0.249 58.799 59.018 0.049 0.000 1.743 216 C CB -0.273 27.467 27.740 -0.001 0.000 2.308 216 C HN 0.262 nan 8.230 nan 0.000 0.675 217 V N 0.143 119.998 119.914 -0.099 0.000 2.950 217 V HA 0.115 4.235 4.120 0.001 0.000 0.231 217 V C 2.490 178.509 176.094 -0.125 0.000 1.205 217 V CA 0.490 62.776 62.300 -0.023 0.000 1.239 217 V CB -0.678 31.119 31.823 -0.044 0.000 1.050 217 V HN 0.249 nan 8.190 nan 0.000 0.498 218 R N 1.237 121.302 120.500 -0.725 0.000 2.103 218 R HA -0.134 4.206 4.340 0.001 0.000 0.242 218 R C -0.289 175.850 176.300 -0.268 0.000 1.142 218 R CA 2.270 57.992 56.100 -0.630 0.000 0.960 218 R CB -1.431 28.226 30.300 -1.071 0.000 0.858 218 R HN 0.448 nan 8.270 nan 0.000 0.439 219 P HA -0.171 nan 4.420 nan 0.000 0.224 219 P C 0.391 177.410 177.300 -0.468 0.000 1.142 219 P CA 1.363 64.200 63.100 -0.439 0.000 0.778 219 P CB -0.215 31.158 31.700 -0.545 0.000 0.764 220 Y N -2.331 117.795 120.300 -0.291 0.000 2.523 220 Y HA 0.053 4.603 4.550 0.001 0.000 0.279 220 Y C 1.404 177.142 175.900 -0.270 0.000 1.139 220 Y CA 0.582 58.362 58.100 -0.533 0.000 1.296 220 Y CB -0.551 37.240 38.460 -1.114 0.000 1.045 220 Y HN -0.068 nan 8.280 nan 0.000 0.538 221 Y N 0.216 120.597 120.300 0.135 0.000 2.746 221 Y HA 0.226 4.776 4.550 0.001 0.000 0.312 221 Y C 0.446 176.422 175.900 0.126 0.000 1.117 221 Y CA -0.686 57.564 58.100 0.251 0.000 1.324 221 Y CB -0.182 38.426 38.460 0.246 0.000 1.173 221 Y HN -0.208 nan 8.280 nan 0.000 0.529 222 K N 0.946 121.447 120.400 0.168 0.000 2.098 222 K HA 0.320 4.640 4.320 0.001 0.000 0.257 222 K C -2.619 174.078 176.600 0.161 0.000 0.999 222 K CA -1.821 54.529 56.287 0.105 0.000 0.924 222 K CB 0.433 32.938 32.500 0.008 0.000 1.028 222 K HN -0.088 nan 8.250 nan 0.000 0.466 223 P HA 0.080 nan 4.420 nan 0.000 0.275 223 P C -1.508 175.888 177.300 0.160 0.000 1.227 223 P CA 0.004 63.146 63.100 0.070 0.000 0.781 223 P CB 0.336 32.063 31.700 0.044 0.000 0.906 224 Y N -1.082 119.298 120.300 0.134 0.000 2.625 224 Y HA 0.622 5.173 4.550 0.001 0.000 0.338 224 Y C -0.553 175.446 175.900 0.166 0.000 1.123 224 Y CA -1.661 56.508 58.100 0.114 0.000 1.046 224 Y CB 1.107 39.626 38.460 0.097 0.000 1.299 224 Y HN 0.094 nan 8.280 nan 0.000 0.464 225 R N 1.109 121.847 120.500 0.396 0.000 2.410 225 R HA 0.679 5.019 4.340 0.001 0.000 0.288 225 R C -1.419 175.139 176.300 0.429 0.000 1.051 225 R CA -0.906 55.384 56.100 0.317 0.000 1.021 225 R CB 1.573 31.984 30.300 0.185 0.000 1.032 225 R HN 0.586 nan 8.270 nan 0.000 0.481 226 V N 3.270 123.449 119.914 0.440 0.000 2.357 226 V HA 0.435 4.556 4.120 0.001 0.000 0.281 226 V C 0.777 177.055 176.094 0.306 0.000 1.015 226 V CA 0.095 62.617 62.300 0.371 0.000 0.827 226 V CB 0.685 32.689 31.823 0.301 0.000 1.018 226 V HN 1.152 nan 8.190 nan 0.000 0.432 227 G N 5.095 114.016 108.800 0.202 0.000 2.527 227 G HA2 -0.270 3.691 3.960 0.001 0.000 0.262 227 G HA3 -0.270 3.691 3.960 0.001 0.000 0.262 227 G C 0.911 175.889 174.900 0.130 0.000 1.153 227 G CA 0.747 45.936 45.100 0.149 0.000 0.954 227 G HN 1.526 nan 8.290 nan 0.000 0.552 228 S N -0.735 115.029 115.700 0.106 0.000 2.523 228 S HA 0.568 5.038 4.470 0.001 0.000 0.217 228 S C 0.680 175.300 174.600 0.034 0.000 0.996 228 S CA 0.924 59.163 58.200 0.066 0.000 0.921 228 S CB 0.592 63.820 63.200 0.046 0.000 0.829 228 S HN 1.266 nan 8.310 nan 0.000 0.495 229 V N 2.390 122.324 119.914 0.034 0.000 2.539 229 V HA 0.439 4.559 4.120 0.001 0.000 0.292 229 V C -0.042 175.903 176.094 -0.248 0.000 1.045 229 V CA -0.786 61.425 62.300 -0.149 0.000 0.945 229 V CB 1.661 33.327 31.823 -0.262 0.000 0.993 229 V HN 0.279 nan 8.190 nan 0.000 0.464 230 V N 4.910 124.636 119.914 -0.312 0.000 2.432 230 V HA 0.347 4.468 4.120 0.001 0.000 0.275 230 V C -0.879 174.981 176.094 -0.391 0.000 1.043 230 V CA -0.463 61.712 62.300 -0.209 0.000 0.925 230 V CB 0.661 32.428 31.823 -0.095 0.000 0.985 230 V HN 0.716 nan 8.190 nan 0.000 0.466 231 Y N 4.541 124.832 120.300 -0.015 0.000 2.334 231 Y HA 0.592 5.142 4.550 0.001 0.000 0.336 231 Y C 0.682 176.569 175.900 -0.022 0.000 0.960 231 Y CA -1.295 56.808 58.100 0.006 0.000 1.164 231 Y CB 1.127 39.553 38.460 -0.056 0.000 1.155 231 Y HN 0.747 nan 8.280 nan 0.000 0.478 232 R N 1.223 121.818 120.500 0.158 0.000 2.905 232 R HA 0.412 4.752 4.340 0.001 0.000 0.273 232 R C 0.503 176.882 176.300 0.131 0.000 1.033 232 R CA -0.174 55.971 56.100 0.074 0.000 1.182 232 R CB -0.200 30.088 30.300 -0.019 0.000 1.097 232 R HN 0.715 nan 8.270 nan 0.000 0.504 233 G N -0.623 108.237 108.800 0.101 0.000 2.503 233 G HA2 0.456 4.417 3.960 0.001 0.000 0.257 233 G HA3 0.456 4.417 3.960 0.001 0.000 0.257 233 G C -0.494 174.507 174.900 0.169 0.000 1.214 233 G CA -0.504 44.692 45.100 0.160 0.000 0.839 233 G HN 0.859 nan 8.290 nan 0.000 0.559 234 A N 1.535 124.450 122.820 0.159 0.000 2.498 234 A HA 0.330 4.651 4.320 0.001 0.000 0.239 234 A C 0.585 178.299 177.584 0.216 0.000 1.068 234 A CA 0.061 52.189 52.037 0.151 0.000 0.766 234 A CB 0.019 18.943 19.000 -0.127 0.000 1.003 234 A HN 0.809 nan 8.150 nan 0.000 0.497 235 N N 0.399 119.195 118.700 0.161 0.000 2.402 235 N HA 0.520 5.260 4.740 0.001 0.000 0.294 235 N C 0.914 176.535 175.510 0.185 0.000 1.203 235 N CA -0.316 52.833 53.050 0.164 0.000 0.838 235 N CB 1.658 40.207 38.487 0.103 0.000 1.306 235 N HN 0.635 nan 8.380 nan 0.000 0.510 236 A N 0.381 123.318 122.820 0.195 0.000 2.015 236 A HA 0.006 4.327 4.320 0.001 0.000 0.219 236 A C 1.761 179.518 177.584 0.288 0.000 1.163 236 A CA 1.498 53.636 52.037 0.168 0.000 0.646 236 A CB -0.764 18.328 19.000 0.152 0.000 0.806 236 A HN 0.766 nan 8.150 nan 0.000 0.448 237 G N -0.870 108.075 108.800 0.242 0.000 3.088 237 G HA2 0.148 4.109 3.960 0.001 0.000 0.212 237 G HA3 0.148 4.109 3.960 0.001 0.000 0.212 237 G C -0.212 174.782 174.900 0.158 0.000 1.173 237 G CA 0.031 45.244 45.100 0.188 0.000 0.779 237 G HN 0.287 nan 8.290 nan 0.000 0.540 238 D N 1.181 121.757 120.400 0.294 0.000 2.671 238 D HA 0.322 4.963 4.640 0.001 0.000 0.228 238 D C -0.305 176.231 176.300 0.393 0.000 1.102 238 D CA 0.137 54.282 54.000 0.241 0.000 1.044 238 D CB -0.452 40.485 40.800 0.228 0.000 1.113 238 D HN 0.369 nan 8.370 nan 0.000 0.480 239 F N -2.641 117.314 119.950 0.009 0.000 2.741 239 F HA 0.583 5.111 4.527 0.001 0.000 0.311 239 F C 0.715 176.514 175.800 -0.001 0.000 1.149 239 F CA -1.492 56.518 58.000 0.017 0.000 0.930 239 F CB 0.419 39.435 39.000 0.028 0.000 1.312 239 F HN -0.162 nan 8.300 nan 0.000 0.450 240 A N 1.775 124.600 122.820 0.008 0.000 1.858 240 A HA 0.201 4.522 4.320 0.001 0.000 0.216 240 A C 2.186 179.612 177.584 -0.263 0.000 1.190 240 A CA 2.379 54.361 52.037 -0.091 0.000 0.617 240 A CB -1.672 17.347 19.000 0.030 0.000 0.827 240 A HN 1.590 nan 8.150 nan 0.000 0.443 241 G N 0.170 108.879 108.800 -0.153 0.000 2.808 241 G HA2 -0.404 3.557 3.960 0.001 0.000 0.225 241 G HA3 -0.404 3.557 3.960 0.001 0.000 0.225 241 G C 1.584 176.255 174.900 -0.382 0.000 1.210 241 G CA 1.477 46.508 45.100 -0.116 0.000 0.777 241 G HN 0.612 nan 8.290 nan 0.000 0.640 242 I N 0.825 120.827 120.570 -0.945 0.000 2.335 242 I HA -0.181 3.989 4.170 0.001 0.000 0.251 242 I C 2.297 178.172 176.117 -0.403 0.000 1.129 242 I CA 1.483 62.316 61.300 -0.779 0.000 1.402 242 I CB -0.139 37.234 38.000 -1.045 0.000 1.069 242 I HN 0.191 nan 8.210 nan 0.000 0.424 243 N N 0.035 118.501 118.700 -0.389 0.000 2.250 243 N HA -0.094 4.646 4.740 0.001 0.000 0.181 243 N C 1.858 177.316 175.510 -0.087 0.000 1.017 243 N CA 1.127 54.075 53.050 -0.169 0.000 0.866 243 N CB -0.098 38.284 38.487 -0.174 0.000 0.985 243 N HN 0.251 nan 8.380 nan 0.000 0.429 244 V N 2.337 122.181 119.914 -0.116 0.000 2.343 244 V HA -0.187 3.933 4.120 0.001 0.000 0.247 244 V C 2.336 178.386 176.094 -0.074 0.000 1.051 244 V CA 1.231 63.495 62.300 -0.060 0.000 1.036 244 V CB -0.382 31.414 31.823 -0.045 0.000 0.654 244 V HN 0.208 nan 8.190 nan 0.000 0.451 245 I N -0.069 120.424 120.570 -0.128 0.000 2.179 245 I HA -0.238 3.933 4.170 0.001 0.000 0.242 245 I C 2.347 178.337 176.117 -0.211 0.000 1.088 245 I CA 1.674 62.854 61.300 -0.200 0.000 1.357 245 I CB -0.609 37.186 38.000 -0.341 0.000 1.051 245 I HN 0.320 nan 8.210 nan 0.000 0.409 246 D N 0.758 121.067 120.400 -0.152 0.000 2.133 246 D HA -0.171 4.470 4.640 0.001 0.000 0.195 246 D C 2.181 178.394 176.300 -0.144 0.000 0.997 246 D CA 1.295 55.236 54.000 -0.100 0.000 0.840 246 D CB -0.154 40.636 40.800 -0.016 0.000 0.947 246 D HN 0.169 nan 8.370 nan 0.000 0.452 247 L N 0.702 121.876 121.223 -0.082 0.000 2.068 247 L HA -0.050 4.291 4.340 0.001 0.000 0.204 247 L C 2.493 179.334 176.870 -0.049 0.000 1.076 247 L CA 1.313 56.111 54.840 -0.070 0.000 0.753 247 L CB -1.560 40.511 42.059 0.019 0.000 0.910 247 L HN 0.033 nan 8.230 nan 0.000 0.439 248 T N 0.304 114.841 114.554 -0.030 0.000 2.788 248 T HA -0.115 4.235 4.350 0.001 0.000 0.268 248 T C 2.007 176.735 174.700 0.047 0.000 1.044 248 T CA 0.920 63.020 62.100 0.001 0.000 1.139 248 T CB -0.162 68.707 68.868 0.001 0.000 0.867 248 T HN 0.187 nan 8.240 nan 0.000 0.454 249 L N 0.361 121.606 121.223 0.037 0.000 2.478 249 L HA 0.211 4.551 4.340 0.001 0.000 0.223 249 L C 2.076 179.029 176.870 0.139 0.000 1.140 249 L CA 0.498 55.434 54.840 0.159 0.000 0.842 249 L CB -0.612 41.452 42.059 0.009 0.000 0.953 249 L HN 0.515 nan 8.230 nan 0.000 0.452 250 G N 0.117 108.912 108.800 -0.009 0.000 2.148 250 G HA2 -0.302 3.658 3.960 0.001 0.000 0.254 250 G HA3 -0.302 3.658 3.960 0.001 0.000 0.254 250 G C 0.823 175.565 174.900 -0.263 0.000 0.981 250 G CA 0.394 45.441 45.100 -0.087 0.000 0.670 250 G HN 0.342 nan 8.290 nan 0.000 0.528 251 L N -0.946 120.127 121.223 -0.250 0.000 2.376 251 L HA 0.133 4.473 4.340 0.001 0.000 0.219 251 L C 1.416 177.899 176.870 -0.645 0.000 1.133 251 L CA 0.672 55.328 54.840 -0.307 0.000 0.816 251 L CB -0.148 41.838 42.059 -0.123 0.000 0.933 251 L HN 0.456 nan 8.230 nan 0.000 0.449 252 C N -1.397 117.405 119.300 -0.831 0.000 2.848 252 C HA 0.595 5.055 4.460 0.001 0.000 0.317 252 C C -0.557 173.680 174.990 -1.255 0.000 1.260 252 C CA -0.854 57.470 59.018 -1.157 0.000 1.656 252 C CB 1.620 28.615 27.740 -1.242 0.000 2.174 252 C HN 0.045 nan 8.230 nan 0.000 0.479 253 F N 0.288 119.965 119.950 -0.454 0.000 2.499 253 F HA 0.540 5.067 4.527 0.001 0.000 0.333 253 F C 0.770 176.549 175.800 -0.036 0.000 1.138 253 F CA -0.679 57.214 58.000 -0.178 0.000 0.945 253 F CB 1.054 40.008 39.000 -0.076 0.000 1.181 253 F HN 0.699 nan 8.300 nan 0.000 0.435 254 A N 2.225 125.178 122.820 0.222 0.000 2.119 254 A HA -0.121 4.200 4.320 0.001 0.000 0.216 254 A C 1.890 179.611 177.584 0.228 0.000 1.152 254 A CA 1.171 53.396 52.037 0.314 0.000 0.708 254 A CB -0.575 18.569 19.000 0.240 0.000 0.805 254 A HN 0.774 nan 8.150 nan 0.000 0.460 255 N N 0.457 119.275 118.700 0.196 0.000 2.515 255 N HA -0.042 4.699 4.740 0.001 0.000 0.191 255 N C -0.350 175.230 175.510 0.116 0.000 1.182 255 N CA 0.238 53.367 53.050 0.132 0.000 0.879 255 N CB -0.023 38.524 38.487 0.101 0.000 0.984 255 N HN 0.551 nan 8.380 nan 0.000 0.453 256 E N -0.331 119.968 120.200 0.164 0.000 2.171 256 E HA 0.455 4.806 4.350 0.001 0.000 0.271 256 E C 0.212 176.896 176.600 0.140 0.000 0.916 256 E CA -0.585 55.895 56.400 0.134 0.000 0.774 256 E CB 1.832 31.625 29.700 0.154 0.000 1.128 256 E HN 0.148 nan 8.360 nan 0.000 0.403 257 A N 2.697 125.572 122.820 0.091 0.000 1.892 257 A HA -0.257 4.064 4.320 0.001 0.000 0.218 257 A C 2.184 179.813 177.584 0.075 0.000 1.188 257 A CA 2.426 54.506 52.037 0.072 0.000 0.631 257 A CB -0.808 18.221 19.000 0.047 0.000 0.822 257 A HN 0.682 nan 8.150 nan 0.000 0.447 258 S N -1.787 113.965 115.700 0.087 0.000 2.387 258 S HA -0.269 4.201 4.470 0.001 0.000 0.230 258 S C 1.950 176.614 174.600 0.108 0.000 1.035 258 S CA 1.757 60.007 58.200 0.084 0.000 1.014 258 S CB -0.736 62.520 63.200 0.093 0.000 0.836 258 S HN 0.649 nan 8.310 nan 0.000 0.466 259 Y N 3.021 123.339 120.300 0.030 0.000 2.201 259 Y HA 0.015 4.565 4.550 0.001 0.000 0.292 259 Y C 2.866 178.760 175.900 -0.010 0.000 1.119 259 Y CA 1.281 59.389 58.100 0.013 0.000 1.127 259 Y CB -0.717 37.772 38.460 0.049 0.000 1.019 259 Y HN 0.456 nan 8.280 nan 0.000 0.514 260 S N 0.097 115.820 115.700 0.039 0.000 2.370 260 S HA -0.236 4.234 4.470 0.001 0.000 0.226 260 S C 1.412 175.944 174.600 -0.114 0.000 1.033 260 S CA 0.891 59.067 58.200 -0.040 0.000 1.011 260 S CB -0.767 62.477 63.200 0.074 0.000 0.852 260 S HN 0.530 nan 8.310 nan 0.000 0.457 264 V N 1.039 120.630 119.914 -0.539 0.000 2.490 264 V HA -0.232 3.889 4.120 0.001 0.000 0.250 264 V C 1.568 177.576 176.094 -0.143 0.000 1.061 264 V CA 2.296 64.481 62.300 -0.192 0.000 1.064 264 V CB -0.344 31.494 31.823 0.025 0.000 0.670 264 V HN 0.376 nan 8.190 nan 0.000 0.461 265 D N 0.017 120.296 120.400 -0.201 0.000 2.349 265 D HA -0.041 4.600 4.640 0.001 0.000 0.224 265 D C 1.829 178.036 176.300 -0.154 0.000 1.029 265 D CA 0.663 54.589 54.000 -0.123 0.000 0.879 265 D CB 0.053 40.770 40.800 -0.137 0.000 0.906 265 D HN 0.679 nan 8.370 nan 0.000 0.528 266 K N -1.283 118.976 120.400 -0.235 0.000 2.481 266 K HA 0.105 4.426 4.320 0.001 0.000 0.210 266 K C 1.205 177.824 176.600 0.033 0.000 1.161 266 K CA -0.246 55.953 56.287 -0.148 0.000 1.023 266 K CB -0.115 32.238 32.500 -0.245 0.000 0.971 266 K HN -0.242 nan 8.250 nan 0.000 0.577 267 F N 2.402 122.400 119.950 0.080 0.000 2.091 267 F HA -0.079 4.448 4.527 0.001 0.000 0.299 267 F C 1.848 177.715 175.800 0.112 0.000 1.103 267 F CA 1.267 59.308 58.000 0.068 0.000 1.228 267 F CB -0.515 38.507 39.000 0.037 0.000 0.984 267 F HN -0.074 nan 8.300 nan 0.000 0.477 268 L N -2.241 119.197 121.223 0.358 0.000 2.275 268 L HA -0.164 4.176 4.340 0.001 0.000 0.215 268 L C 0.688 177.640 176.870 0.137 0.000 1.119 268 L CA 0.375 55.347 54.840 0.221 0.000 0.790 268 L CB -0.668 41.500 42.059 0.182 0.000 0.919 268 L HN 0.038 nan 8.230 nan 0.000 0.443 273 E N 0.612 120.685 120.200 -0.211 0.000 2.058 273 E HA -0.185 4.165 4.350 0.001 0.000 0.194 273 E C 0.927 177.482 176.600 -0.075 0.000 0.997 273 E CA 1.584 57.898 56.400 -0.144 0.000 0.801 273 E CB -0.121 29.498 29.700 -0.135 0.000 0.746 273 E HN 0.391 nan 8.360 nan 0.000 0.450 274 D N 0.290 120.664 120.400 -0.044 0.000 2.117 274 D HA -0.136 4.505 4.640 0.001 0.000 0.198 274 D C 1.946 178.265 176.300 0.031 0.000 0.982 274 D CA 0.895 54.904 54.000 0.016 0.000 0.828 274 D CB -0.165 40.673 40.800 0.063 0.000 0.967 274 D HN 0.190 nan 8.370 nan 0.000 0.464 275 Q N -0.123 119.690 119.800 0.022 0.000 2.061 275 Q HA -0.238 4.103 4.340 0.001 0.000 0.204 275 Q C 2.086 178.018 176.000 -0.113 0.000 0.984 275 Q CA 1.343 57.150 55.803 0.007 0.000 0.846 275 Q CB -0.093 28.608 28.738 -0.061 0.000 0.902 275 Q HN 0.149 nan 8.270 nan 0.000 0.421 276 Q N 0.926 120.661 119.800 -0.109 0.000 2.046 276 Q HA -0.106 4.234 4.340 0.001 0.000 0.200 276 Q C 1.808 177.766 176.000 -0.069 0.000 0.975 276 Q CA 1.462 57.197 55.803 -0.114 0.000 0.836 276 Q CB -0.225 28.452 28.738 -0.102 0.000 0.896 276 Q HN 0.417 nan 8.270 nan 0.000 0.428 277 I N -0.094 120.453 120.570 -0.039 0.000 2.208 277 I HA -0.296 3.875 4.170 0.001 0.000 0.245 277 I C 2.294 178.415 176.117 0.007 0.000 1.097 277 I CA 0.984 62.275 61.300 -0.016 0.000 1.363 277 I CB -0.335 37.663 38.000 -0.004 0.000 1.051 277 I HN 0.269 nan 8.210 nan 0.000 0.413 278 L N 0.491 121.737 121.223 0.039 0.000 1.994 278 L HA -0.233 4.108 4.340 0.001 0.000 0.208 278 L C 2.922 179.858 176.870 0.109 0.000 1.071 278 L CA 1.539 56.442 54.840 0.105 0.000 0.745 278 L CB -0.341 41.861 42.059 0.239 0.000 0.892 278 L HN 0.193 nan 8.230 nan 0.000 0.431 279 R N -0.201 120.314 120.500 0.025 0.000 2.113 279 R HA -0.253 4.088 4.340 0.001 0.000 0.244 279 R C 2.064 178.364 176.300 -0.001 0.000 1.142 279 R CA 2.041 58.115 56.100 -0.043 0.000 0.953 279 R CB -0.432 29.734 30.300 -0.224 0.000 0.860 279 R HN 0.508 nan 8.270 nan 0.000 0.438 280 E N 0.009 120.199 120.200 -0.016 0.000 2.118 280 E HA -0.153 4.197 4.350 0.001 0.000 0.195 280 E C 1.063 177.672 176.600 0.014 0.000 0.992 280 E CA 0.683 57.079 56.400 -0.007 0.000 0.804 280 E CB -0.069 29.621 29.700 -0.018 0.000 0.741 280 E HN 0.280 nan 8.360 nan 0.000 0.458 284 R N 0.861 121.373 120.500 0.020 0.000 2.774 284 R HA 0.591 4.931 4.340 0.001 0.000 0.272 284 R C -2.687 173.618 176.300 0.008 0.000 1.000 284 R CA -1.744 54.360 56.100 0.007 0.000 0.906 284 R CB 1.248 31.549 30.300 0.001 0.000 1.227 284 R HN 0.073 nan 8.270 nan 0.000 0.468 285 P HA 0.227 nan 4.420 nan 0.000 0.272 285 P C -1.249 176.044 177.300 -0.012 0.000 1.230 285 P CA -0.481 62.614 63.100 -0.008 0.000 0.788 285 P CB 0.507 32.191 31.700 -0.027 0.000 0.949 286 N N 0.104 118.799 118.700 -0.008 0.000 2.335 286 N HA 0.400 5.141 4.740 0.001 0.000 0.304 286 N C -0.401 175.089 175.510 -0.032 0.000 1.135 286 N CA -0.900 52.148 53.050 -0.004 0.000 0.817 286 N CB 0.648 39.144 38.487 0.014 0.000 1.294 286 N HN 0.111 nan 8.380 nan 0.000 0.497 290 D N 0.146 120.504 120.400 -0.069 0.000 2.123 290 D HA -0.004 4.636 4.640 0.001 0.000 0.200 290 D C 1.799 178.036 176.300 -0.105 0.000 0.976 290 D CA 0.742 54.655 54.000 -0.146 0.000 0.831 290 D CB -0.149 40.462 40.800 -0.316 0.000 0.974 290 D HN 0.148 nan 8.370 nan 0.000 0.469 291 F N 0.837 120.746 119.950 -0.069 0.000 2.293 291 F HA -0.001 4.527 4.527 0.001 0.000 0.300 291 F C 2.332 178.203 175.800 0.118 0.000 1.086 291 F CA 0.484 58.480 58.000 -0.006 0.000 1.375 291 F CB -0.344 38.515 39.000 -0.235 0.000 1.045 291 F HN -0.073 nan 8.300 nan 0.000 0.516 292 L N -1.119 120.246 121.223 0.237 0.000 2.109 292 L HA -0.169 4.171 4.340 0.001 0.000 0.207 292 L C 2.126 179.083 176.870 0.147 0.000 1.086 292 L CA 0.929 55.880 54.840 0.185 0.000 0.760 292 L CB -0.600 41.542 42.059 0.138 0.000 0.910 292 L HN -0.012 nan 8.230 nan 0.000 0.437 293 Q N -0.103 119.766 119.800 0.115 0.000 2.488 293 Q HA 0.026 4.366 4.340 0.001 0.000 0.211 293 Q C 1.275 177.338 176.000 0.105 0.000 0.967 293 Q CA 0.907 56.761 55.803 0.084 0.000 0.926 293 Q CB 0.077 28.846 28.738 0.050 0.000 0.992 293 Q HN 0.417 nan 8.270 nan 0.000 0.506 294 A N -0.530 122.398 122.820 0.181 0.000 2.713 294 A HA 0.153 4.474 4.320 0.001 0.000 0.296 294 A C 1.278 178.923 177.584 0.102 0.000 1.255 294 A CA -0.337 51.829 52.037 0.216 0.000 0.955 294 A CB -0.084 19.179 19.000 0.438 0.000 1.149 294 A HN 0.153 nan 8.150 nan 0.000 0.538 295 K N 0.062 120.500 120.400 0.063 0.000 2.152 295 K HA -0.142 4.178 4.320 0.001 0.000 0.206 295 K C 1.813 178.268 176.600 -0.242 0.000 1.048 295 K CA 1.647 57.907 56.287 -0.044 0.000 0.933 295 K CB -0.239 32.271 32.500 0.017 0.000 0.721 295 K HN 0.473 nan 8.250 nan 0.000 0.447 296 G N 0.105 108.802 108.800 -0.173 0.000 2.421 296 G HA2 -0.188 3.772 3.960 0.001 0.000 0.217 296 G HA3 -0.188 3.772 3.960 0.001 0.000 0.217 296 G C 1.145 175.871 174.900 -0.290 0.000 1.143 296 G CA 0.663 45.654 45.100 -0.183 0.000 0.784 296 G HN 0.407 nan 8.290 nan 0.000 0.541 297 C N 1.129 120.208 119.300 -0.368 0.000 2.460 297 C HA 0.201 4.662 4.460 0.001 0.000 0.322 297 C C 2.345 176.793 174.990 -0.904 0.000 1.333 297 C CA -0.819 57.933 59.018 -0.444 0.000 1.631 297 C CB -1.751 25.851 27.740 -0.230 0.000 1.672 297 C HN 0.477 nan 8.230 nan 0.000 0.596 298 I N 1.502 121.465 120.570 -1.011 0.000 2.315 298 I HA -0.242 3.928 4.170 0.001 0.000 0.251 298 I C 2.264 178.015 176.117 -0.610 0.000 1.125 298 I CA 1.972 62.642 61.300 -1.051 0.000 1.392 298 I CB -0.426 37.136 38.000 -0.731 0.000 1.065 298 I HN 0.465 nan 8.210 nan 0.000 0.424 299 H N 0.298 119.190 119.070 -0.296 0.000 2.551 299 H HA 0.196 4.752 4.556 0.000 0.000 0.266 299 H C 0.518 175.738 175.328 -0.181 0.000 0.977 299 H CA 0.116 56.059 56.048 -0.174 0.000 1.163 299 H CB -0.171 29.517 29.762 -0.123 0.000 1.381 299 H HN 0.408 nan 8.280 nan 0.000 0.581 300 Q N 1.302 120.969 119.800 -0.221 0.000 2.364 300 Q HA -0.040 4.300 4.340 0.001 0.000 0.267 300 Q C 0.683 176.526 176.000 -0.261 0.000 0.999 300 Q CA 0.074 55.698 55.803 -0.298 0.000 0.886 300 Q CB 0.983 29.317 28.738 -0.674 0.000 1.243 300 Q HN 0.253 nan 8.270 nan 0.000 0.415 301 D N 1.988 122.325 120.400 -0.105 0.000 2.144 301 D HA -0.156 4.484 4.640 0.001 0.000 0.199 301 D C 1.811 178.141 176.300 0.050 0.000 0.984 301 D CA 1.121 55.118 54.000 -0.004 0.000 0.834 301 D CB -0.042 40.793 40.800 0.058 0.000 0.955 301 D HN 0.741 nan 8.370 nan 0.000 0.465 302 W N 0.077 121.450 121.300 0.122 0.000 2.402 302 W HA -0.162 4.499 4.660 0.002 0.000 0.286 302 W C 1.893 178.538 176.519 0.211 0.000 1.221 302 W CA 0.100 57.528 57.345 0.138 0.000 1.257 302 W CB -1.353 28.176 29.460 0.115 0.000 1.120 302 W HN 0.003 nan 8.180 nan 0.000 0.551 303 Y N 3.354 123.227 120.300 -0.712 0.000 2.089 303 Y HA -0.312 4.238 4.550 0.000 0.000 0.282 303 Y C 3.167 178.986 175.900 -0.136 0.000 1.139 303 Y CA 3.590 61.325 58.100 -0.607 0.000 1.123 303 Y CB -0.682 37.205 38.460 -0.956 0.000 0.980 303 Y HN 0.109 nan 8.280 nan 0.000 0.493 304 Q N -0.647 119.163 119.800 0.018 0.000 2.230 304 Q HA -0.150 4.191 4.340 0.001 0.000 0.202 304 Q C 1.677 177.684 176.000 0.013 0.000 0.963 304 Q CA 1.677 57.484 55.803 0.007 0.000 0.866 304 Q CB -0.367 28.398 28.738 0.046 0.000 0.931 304 Q HN 0.589 nan 8.270 nan 0.000 0.452 305 E N 0.907 121.155 120.200 0.080 0.000 2.051 305 E HA -0.069 4.281 4.350 0.001 0.000 0.189 305 E C 1.659 178.425 176.600 0.277 0.000 0.979 305 E CA 0.901 57.395 56.400 0.156 0.000 0.803 305 E CB 0.156 29.923 29.700 0.113 0.000 0.761 305 E HN 0.391 nan 8.360 nan 0.000 0.451 306 N N 0.828 119.709 118.700 0.301 0.000 2.250 306 N HA -0.063 4.678 4.740 0.001 0.000 0.181 306 N C 1.809 177.343 175.510 0.041 0.000 1.017 306 N CA 0.452 53.696 53.050 0.324 0.000 0.866 306 N CB -0.183 38.621 38.487 0.528 0.000 0.985 306 N HN 0.084 nan 8.380 nan 0.000 0.429 307 L N 1.343 122.406 121.223 -0.267 0.000 2.017 307 L HA -0.172 4.169 4.340 0.001 0.000 0.208 307 L C 2.352 179.036 176.870 -0.310 0.000 1.073 307 L CA 1.455 55.854 54.840 -0.734 0.000 0.745 307 L CB -0.215 41.315 42.059 -0.882 0.000 0.894 307 L HN 0.188 nan 8.230 nan 0.000 0.432 308 K N -0.323 119.980 120.400 -0.162 0.000 2.044 308 K HA -0.269 4.051 4.320 0.001 0.000 0.210 308 K C 2.124 178.682 176.600 -0.070 0.000 1.049 308 K CA 1.673 57.908 56.287 -0.085 0.000 0.927 308 K CB -0.117 32.371 32.500 -0.020 0.000 0.713 308 K HN 0.163 nan 8.250 nan 0.000 0.443 309 L N 0.653 121.852 121.223 -0.040 0.000 2.056 309 L HA -0.093 4.248 4.340 0.001 0.000 0.207 309 L C 2.142 178.981 176.870 -0.052 0.000 1.078 309 L CA 1.421 56.224 54.840 -0.062 0.000 0.749 309 L CB -0.808 41.173 42.059 -0.130 0.000 0.901 309 L HN 0.227 nan 8.230 nan 0.000 0.433 310 F N 0.086 119.930 119.950 -0.178 0.000 2.095 310 F HA -0.265 4.262 4.527 0.001 0.000 0.298 310 F C 2.312 178.016 175.800 -0.161 0.000 1.104 310 F CA 1.766 59.665 58.000 -0.168 0.000 1.232 310 F CB -0.382 38.419 39.000 -0.331 0.000 0.987 310 F HN 0.045 nan 8.300 nan 0.000 0.475 311 I N 0.383 120.772 120.570 -0.302 0.000 2.208 311 I HA -0.309 3.862 4.170 0.001 0.000 0.245 311 I C 2.303 178.252 176.117 -0.281 0.000 1.097 311 I CA 1.853 62.952 61.300 -0.334 0.000 1.363 311 I CB -0.624 37.272 38.000 -0.174 0.000 1.051 311 I HN 0.266 nan 8.210 nan 0.000 0.413 312 E N 0.230 120.315 120.200 -0.192 0.000 2.077 312 E HA -0.180 4.171 4.350 0.001 0.000 0.193 312 E C 2.341 178.852 176.600 -0.150 0.000 0.989 312 E CA 1.223 57.541 56.400 -0.136 0.000 0.800 312 E CB -0.122 29.523 29.700 -0.092 0.000 0.746 312 E HN 0.299 nan 8.360 nan 0.000 0.452 313 V N 1.052 120.850 119.914 -0.193 0.000 2.295 313 V HA -0.321 3.800 4.120 0.001 0.000 0.246 313 V C 2.468 178.448 176.094 -0.192 0.000 1.049 313 V CA 1.613 63.812 62.300 -0.169 0.000 1.024 313 V CB -0.402 31.322 31.823 -0.166 0.000 0.648 313 V HN 0.476 nan 8.190 nan 0.000 0.447 314 C N -0.066 119.018 119.300 -0.361 0.000 2.436 314 C HA -0.165 4.295 4.460 0.001 0.000 0.277 314 C C 2.640 177.561 174.990 -0.116 0.000 1.241 314 C CA 1.182 60.029 59.018 -0.284 0.000 1.721 314 C CB -1.113 26.354 27.740 -0.455 0.000 2.043 314 C HN 0.631 nan 8.230 nan 0.000 0.472 315 E N 0.246 120.368 120.200 -0.132 0.000 2.265 315 E HA -0.166 4.185 4.350 0.001 0.000 0.196 315 E C 2.001 178.582 176.600 -0.032 0.000 0.996 315 E CA 0.675 57.033 56.400 -0.071 0.000 0.832 315 E CB -0.215 29.439 29.700 -0.077 0.000 0.756 315 E HN 0.639 nan 8.360 nan 0.000 0.491 316 L N 0.362 121.568 121.223 -0.029 0.000 2.109 316 L HA -0.139 4.201 4.340 0.001 0.000 0.207 316 L C 2.628 179.536 176.870 0.064 0.000 1.086 316 L CA 1.004 55.846 54.840 0.004 0.000 0.760 316 L CB -0.183 41.869 42.059 -0.011 0.000 0.910 316 L HN 0.291 nan 8.230 nan 0.000 0.437 317 H N -0.905 118.147 119.070 -0.029 0.000 2.395 317 H HA -0.104 4.452 4.556 0.001 0.000 0.299 317 H C 1.891 177.236 175.328 0.029 0.000 1.070 317 H CA 1.197 57.258 56.048 0.021 0.000 1.356 317 H CB 0.334 30.098 29.762 0.002 0.000 1.401 317 H HN 0.399 nan 8.280 nan 0.000 0.524 318 G N 0.139 108.931 108.800 -0.013 0.000 2.408 318 G HA2 -0.257 3.703 3.960 0.001 0.000 0.217 318 G HA3 -0.257 3.703 3.960 0.001 0.000 0.217 318 G C 1.621 176.496 174.900 -0.042 0.000 1.150 318 G CA 0.468 45.528 45.100 -0.066 0.000 0.776 318 G HN 0.423 nan 8.290 nan 0.000 0.542 319 Q N -0.352 119.441 119.800 -0.011 0.000 2.061 319 Q HA -0.155 4.186 4.340 0.001 0.000 0.204 319 Q C 2.571 178.590 176.000 0.031 0.000 0.984 319 Q CA 1.892 57.701 55.803 0.010 0.000 0.846 319 Q CB -0.347 28.398 28.738 0.012 0.000 0.902 319 Q HN 0.451 nan 8.270 nan 0.000 0.421 320 T N -1.033 113.539 114.554 0.030 0.000 3.035 320 T HA 0.037 4.387 4.350 0.001 0.000 0.268 320 T C 1.396 176.155 174.700 0.099 0.000 1.109 320 T CA 0.966 63.113 62.100 0.078 0.000 1.119 320 T CB -0.095 68.821 68.868 0.079 0.000 0.900 320 T HN 0.410 nan 8.240 nan 0.000 0.503 321 A N 0.715 123.535 122.820 0.001 0.000 1.930 321 A HA 0.222 4.543 4.320 0.001 0.000 0.215 321 A C 2.180 179.820 177.584 0.093 0.000 1.176 321 A CA 0.818 52.860 52.037 0.008 0.000 0.632 321 A CB -0.429 18.498 19.000 -0.121 0.000 0.819 321 A HN 0.605 nan 8.150 nan 0.000 0.445 322 I N -0.876 119.731 120.570 0.063 0.000 2.286 322 I HA -0.206 3.965 4.170 0.001 0.000 0.245 322 I C 2.754 178.928 176.117 0.095 0.000 1.104 322 I CA 0.883 62.232 61.300 0.081 0.000 1.397 322 I CB -0.324 37.700 38.000 0.039 0.000 1.072 322 I HN 0.301 nan 8.210 nan 0.000 0.417 323 Q N 0.280 120.138 119.800 0.095 0.000 2.030 323 Q HA -0.289 4.051 4.340 0.001 0.000 0.204 323 Q C 2.239 178.266 176.000 0.044 0.000 0.986 323 Q CA 2.044 57.891 55.803 0.074 0.000 0.843 323 Q CB -0.596 28.254 28.738 0.186 0.000 0.904 323 Q HN 0.557 nan 8.270 nan 0.000 0.420 324 H N -0.506 118.640 119.070 0.126 0.000 2.352 324 H HA -0.170 4.387 4.556 0.001 0.000 0.299 324 H C 2.014 177.385 175.328 0.073 0.000 1.097 324 H CA 2.350 58.499 56.048 0.169 0.000 1.311 324 H CB -0.156 29.743 29.762 0.229 0.000 1.377 324 H HN 0.379 nan 8.280 nan 0.000 0.504 325 H N -0.043 118.997 119.070 -0.050 0.000 2.299 325 H HA -0.050 4.507 4.556 0.001 0.000 0.302 325 H C 1.498 176.718 175.328 -0.180 0.000 1.078 325 H CA 2.077 58.058 56.048 -0.112 0.000 1.323 325 H CB -0.342 29.403 29.762 -0.027 0.000 1.381 325 H HN 0.368 nan 8.280 nan 0.000 0.498 326 N N 0.176 118.715 118.700 -0.269 0.000 2.571 326 N HA -0.049 4.691 4.740 0.001 0.000 0.189 326 N C 1.065 176.320 175.510 -0.426 0.000 1.154 326 N CA 0.583 53.423 53.050 -0.351 0.000 0.907 326 N CB 0.257 38.626 38.487 -0.197 0.000 0.977 326 N HN 0.459 nan 8.380 nan 0.000 0.449 327 E N -0.649 119.243 120.200 -0.513 0.000 2.279 327 E HA 0.185 4.536 4.350 0.001 0.000 0.199 327 E C 0.876 177.196 176.600 -0.466 0.000 0.893 327 E CA 0.353 56.360 56.400 -0.656 0.000 0.978 327 E CB 0.019 28.915 29.700 -1.341 0.000 0.964 327 E HN 0.142 nan 8.360 nan 0.000 0.486 328 L N 0.629 121.648 121.223 -0.341 0.000 2.607 328 L HA 0.079 4.419 4.340 0.001 0.000 0.228 328 L C 1.539 178.395 176.870 -0.024 0.000 1.123 328 L CA 0.418 55.240 54.840 -0.030 0.000 0.890 328 L CB 0.660 42.703 42.059 -0.026 0.000 1.103 328 L HN -0.075 nan 8.230 nan 0.000 0.468 329 V N -3.142 116.629 119.914 -0.237 0.000 3.134 329 V HA -0.010 4.111 4.120 0.001 0.000 0.222 329 V C 2.036 177.964 176.094 -0.276 0.000 1.247 329 V CA 1.063 63.244 62.300 -0.198 0.000 1.281 329 V CB -0.218 31.458 31.823 -0.245 0.000 1.169 329 V HN 0.168 nan 8.190 nan 0.000 0.512 330 T N 0.674 114.961 114.554 -0.445 0.000 2.778 330 T HA -0.213 4.137 4.350 0.001 0.000 0.269 330 T C 1.777 176.290 174.700 -0.311 0.000 1.050 330 T CA 1.834 63.719 62.100 -0.358 0.000 1.137 330 T CB -0.180 68.464 68.868 -0.373 0.000 0.860 330 T HN 0.407 nan 8.240 nan 0.000 0.468 331 K N -0.476 119.654 120.400 -0.450 0.000 2.044 331 K HA 0.086 4.406 4.320 0.001 0.000 0.204 331 K C 0.361 176.691 176.600 -0.449 0.000 1.045 331 K CA 0.771 56.709 56.287 -0.581 0.000 0.951 331 K CB 0.029 31.922 32.500 -1.011 0.000 0.738 331 K HN 0.343 nan 8.250 nan 0.000 0.443 358 L N 0.455 121.687 121.223 0.015 0.000 2.599 358 L HA 0.276 4.617 4.340 0.001 0.000 0.230 358 L C 2.064 178.949 176.870 0.026 0.000 1.141 358 L CA 0.958 55.807 54.840 0.015 0.000 0.877 358 L CB -0.134 41.931 42.059 0.009 0.000 1.009 358 L HN 0.470 nan 8.230 nan 0.000 0.447 359 L N 1.301 122.544 121.223 0.034 0.000 2.191 359 L HA -0.050 4.291 4.340 0.001 0.000 0.212 359 L C 2.645 179.540 176.870 0.042 0.000 1.103 359 L CA 1.830 56.702 54.840 0.053 0.000 0.769 359 L CB -0.644 41.446 42.059 0.052 0.000 0.908 359 L HN 0.365 nan 8.230 nan 0.000 0.438 360 A N -1.437 121.398 122.820 0.024 0.000 1.858 360 A HA -0.189 4.132 4.320 0.001 0.000 0.216 360 A C 2.388 179.976 177.584 0.008 0.000 1.190 360 A CA 1.990 54.036 52.037 0.014 0.000 0.617 360 A CB -1.039 17.968 19.000 0.011 0.000 0.827 360 A HN 0.486 nan 8.150 nan 0.000 0.443 361 S N -0.421 115.286 115.700 0.012 0.000 2.359 361 S HA -0.157 4.313 4.470 0.001 0.000 0.224 361 S C 1.845 176.448 174.600 0.005 0.000 1.035 361 S CA 1.511 59.718 58.200 0.012 0.000 1.018 361 S CB -0.475 62.731 63.200 0.010 0.000 0.876 361 S HN 0.378 nan 8.310 nan 0.000 0.448 362 L N 1.818 123.048 121.223 0.012 0.000 2.042 362 L HA -0.129 4.212 4.340 0.001 0.000 0.210 362 L C 2.175 179.000 176.870 -0.075 0.000 1.076 362 L CA 1.764 56.611 54.840 0.013 0.000 0.749 362 L CB -0.669 41.436 42.059 0.077 0.000 0.893 362 L HN 0.321 nan 8.230 nan 0.000 0.432 363 E N -1.435 118.712 120.200 -0.089 0.000 2.107 363 E HA -0.156 4.194 4.350 0.001 0.000 0.191 363 E C 2.267 178.795 176.600 -0.119 0.000 0.982 363 E CA 0.613 56.901 56.400 -0.187 0.000 0.809 363 E CB -0.035 29.610 29.700 -0.091 0.000 0.756 363 E HN 0.453 nan 8.360 nan 0.000 0.459 364 R N 0.490 120.961 120.500 -0.048 0.000 2.073 364 R HA -0.151 4.190 4.340 0.001 0.000 0.234 364 R C 2.490 178.783 176.300 -0.011 0.000 1.134 364 R CA 1.016 57.108 56.100 -0.014 0.000 0.952 364 R CB -0.510 29.802 30.300 0.020 0.000 0.850 364 R HN 0.121 nan 8.270 nan 0.000 0.433 365 L N 1.557 122.777 121.223 -0.005 0.000 2.012 365 L HA -0.197 4.144 4.340 0.001 0.000 0.210 365 L C 2.430 179.277 176.870 -0.038 0.000 1.073 365 L CA 1.815 56.661 54.840 0.010 0.000 0.748 365 L CB -0.569 41.507 42.059 0.028 0.000 0.891 365 L HN 0.053 nan 8.230 nan 0.000 0.431 366 R N -0.255 120.187 120.500 -0.096 0.000 2.096 366 R HA -0.171 4.169 4.340 0.001 0.000 0.235 366 R C 1.778 178.020 176.300 -0.096 0.000 1.127 366 R CA 1.947 57.968 56.100 -0.131 0.000 0.968 366 R CB -0.665 29.459 30.300 -0.294 0.000 0.861 366 R HN 0.509 nan 8.270 nan 0.000 0.440 367 D N 0.099 120.450 120.400 -0.082 0.000 2.178 367 D HA -0.117 4.523 4.640 0.001 0.000 0.202 367 D C 2.061 178.354 176.300 -0.011 0.000 0.974 367 D CA 0.671 54.645 54.000 -0.043 0.000 0.841 367 D CB -0.049 40.732 40.800 -0.032 0.000 0.953 367 D HN 0.199 nan 8.370 nan 0.000 0.478 368 R N 0.800 121.293 120.500 -0.011 0.000 2.062 368 R HA 0.013 4.354 4.340 0.001 0.000 0.231 368 R C 2.374 178.652 176.300 -0.037 0.000 1.136 368 R CA 0.658 56.749 56.100 -0.014 0.000 0.948 368 R CB -0.453 29.816 30.300 -0.052 0.000 0.845 368 R HN 0.198 nan 8.270 nan 0.000 0.430 369 R N 0.356 120.830 120.500 -0.043 0.000 2.105 369 R HA -0.071 4.270 4.340 0.001 0.000 0.239 369 R C 2.046 178.331 176.300 -0.025 0.000 1.135 369 R CA 1.555 57.636 56.100 -0.031 0.000 0.967 369 R CB -0.242 29.977 30.300 -0.136 0.000 0.861 369 R HN 0.205 nan 8.270 nan 0.000 0.442 370 A N 0.246 123.045 122.820 -0.034 0.000 2.218 370 A HA 0.372 4.693 4.320 0.001 0.000 0.209 370 A C 1.053 178.648 177.584 0.017 0.000 1.168 370 A CA 0.487 52.514 52.037 -0.016 0.000 0.804 370 A CB 0.144 19.131 19.000 -0.021 0.000 0.834 370 A HN 0.301 nan 8.150 nan 0.000 0.482 371 A N -0.764 122.075 122.820 0.031 0.000 2.687 371 A HA -0.058 4.263 4.320 0.001 0.000 0.299 371 A C 0.630 178.306 177.584 0.154 0.000 1.497 371 A CA 0.664 52.750 52.037 0.082 0.000 0.751 371 A CB -2.742 16.291 19.000 0.055 0.000 1.048 371 A HN 1.819 nan 8.150 nan 0.000 0.464 372 V N -2.166 117.796 119.914 0.079 0.000 2.834 372 V HA 0.681 4.802 4.120 0.001 0.000 0.301 372 V C 0.875 176.906 176.094 -0.106 0.000 1.066 372 V CA -0.538 61.774 62.300 0.020 0.000 1.052 372 V CB 1.313 33.114 31.823 -0.037 0.000 1.021 372 V HN 1.341 nan 8.190 nan 0.000 0.480 373 L N 4.723 125.654 121.223 -0.488 0.000 2.615 373 L HA 0.327 4.667 4.340 0.001 0.000 0.271 373 L C 0.249 176.959 176.870 -0.267 0.000 1.183 373 L CA 1.027 55.444 54.840 -0.705 0.000 0.933 373 L CB -0.693 40.729 42.059 -1.063 0.000 1.199 373 L HN 0.813 nan 8.230 nan 0.000 0.487 374 R N 3.873 124.302 120.500 -0.118 0.000 2.574 374 R HA 0.265 4.605 4.340 0.001 0.000 0.288 374 R C -0.519 175.788 176.300 0.011 0.000 1.004 374 R CA -0.597 55.480 56.100 -0.039 0.000 0.895 374 R CB 1.794 32.092 30.300 -0.004 0.000 1.191 374 R HN 0.617 nan 8.270 nan 0.000 0.444 375 D N 0.389 120.792 120.400 0.004 0.000 2.392 375 D HA -0.001 4.640 4.640 0.001 0.000 0.206 375 D C 0.512 176.819 176.300 0.012 0.000 1.046 375 D CA 0.564 54.575 54.000 0.020 0.000 0.865 375 D CB 0.704 41.511 40.800 0.012 0.000 0.969 375 D HN 0.474 nan 8.370 nan 0.000 0.509 376 D N 1.192 121.596 120.400 0.006 0.000 2.084 376 D HA 0.002 4.642 4.640 0.001 0.000 0.199 376 D C 1.535 177.840 176.300 0.008 0.000 0.981 376 D CA 0.597 54.600 54.000 0.005 0.000 0.841 376 D CB 0.568 41.370 40.800 0.003 0.000 0.997 376 D HN 0.299 nan 8.370 nan 0.000 0.454 377 I N -1.763 118.817 120.570 0.016 0.000 3.204 377 I HA 0.380 4.551 4.170 0.001 0.000 0.313 377 I C 0.243 176.375 176.117 0.026 0.000 1.082 377 I CA -1.113 60.200 61.300 0.022 0.000 1.033 377 I CB 1.578 39.604 38.000 0.043 0.000 1.304 377 I HN -0.294 nan 8.210 nan 0.000 0.536 378 R N 1.427 121.929 120.500 0.004 0.000 2.265 378 R HA 0.423 4.764 4.340 0.001 0.000 0.314 378 R C -0.794 175.593 176.300 0.145 0.000 1.053 378 R CA -0.070 56.012 56.100 -0.030 0.000 0.931 378 R CB 1.011 31.133 30.300 -0.298 0.000 1.024 378 R HN 0.911 nan 8.270 nan 0.000 0.457 379 T N 1.847 116.519 114.554 0.198 0.000 2.906 379 T HA 0.350 4.701 4.350 0.001 0.000 0.295 379 T C 0.288 175.182 174.700 0.324 0.000 1.075 379 T CA -0.792 61.478 62.100 0.285 0.000 1.005 379 T CB 1.281 70.258 68.868 0.183 0.000 1.136 379 T HN 0.579 nan 8.240 nan 0.000 0.498 380 R N 1.985 122.658 120.500 0.289 0.000 2.363 380 R HA 0.078 4.418 4.340 0.001 0.000 0.236 380 R C 1.014 177.411 176.300 0.163 0.000 0.966 380 R CA -0.002 56.239 56.100 0.235 0.000 1.100 380 R CB -1.068 29.327 30.300 0.158 0.000 1.125 380 R HN 0.714 nan 8.270 nan 0.000 0.514 381 Y N 0.298 120.628 120.300 0.049 0.000 2.097 381 Y HA -0.330 4.220 4.550 0.000 0.000 0.282 381 Y C 1.476 177.314 175.900 -0.103 0.000 1.152 381 Y CA 1.856 59.913 58.100 -0.072 0.000 1.136 381 Y CB -0.291 38.060 38.460 -0.181 0.000 0.975 381 Y HN 0.025 nan 8.280 nan 0.000 0.498 382 Y N 0.220 120.581 120.300 0.102 0.000 2.314 382 Y HA -0.198 4.352 4.550 0.000 0.000 0.293 382 Y C 2.244 178.121 175.900 -0.039 0.000 1.129 382 Y CA 1.245 59.342 58.100 -0.005 0.000 1.201 382 Y CB -0.258 38.277 38.460 0.124 0.000 0.999 382 Y HN 0.189 nan 8.280 nan 0.000 0.541 383 D N -0.182 120.315 120.400 0.163 0.000 2.117 383 D HA -0.153 4.488 4.640 0.001 0.000 0.198 383 D C 2.038 178.374 176.300 0.059 0.000 0.982 383 D CA 0.908 54.983 54.000 0.125 0.000 0.828 383 D CB -0.383 40.510 40.800 0.155 0.000 0.967 383 D HN 0.200 nan 8.370 nan 0.000 0.464 384 L N 0.929 122.149 121.223 -0.004 0.000 2.141 384 L HA -0.077 4.263 4.340 0.001 0.000 0.209 384 L C 2.028 178.822 176.870 -0.127 0.000 1.094 384 L CA 1.581 56.389 54.840 -0.054 0.000 0.763 384 L CB -0.286 41.714 42.059 -0.099 0.000 0.908 384 L HN -0.122 nan 8.230 nan 0.000 0.437 385 K N -0.494 119.767 120.400 -0.233 0.000 2.057 385 K HA -0.235 4.085 4.320 0.001 0.000 0.206 385 K C 2.282 178.837 176.600 -0.075 0.000 1.050 385 K CA 1.416 57.561 56.287 -0.237 0.000 0.935 385 K CB -0.084 32.180 32.500 -0.393 0.000 0.715 385 K HN 0.223 nan 8.250 nan 0.000 0.439 386 K N 0.748 121.144 120.400 -0.007 0.000 2.097 386 K HA -0.133 4.187 4.320 0.001 0.000 0.206 386 K C 2.049 178.668 176.600 0.032 0.000 1.049 386 K CA 1.235 57.544 56.287 0.036 0.000 0.933 386 K CB -0.031 32.511 32.500 0.070 0.000 0.717 386 K HN 0.158 nan 8.250 nan 0.000 0.442 387 L N 0.589 121.828 121.223 0.028 0.000 2.072 387 L HA -0.144 4.196 4.340 0.001 0.000 0.205 387 L C 2.376 179.242 176.870 -0.007 0.000 1.079 387 L CA 1.243 56.101 54.840 0.030 0.000 0.752 387 L CB -0.279 41.795 42.059 0.025 0.000 0.906 387 L HN 0.111 nan 8.230 nan 0.000 0.436 388 K N 0.038 120.416 120.400 -0.036 0.000 2.026 388 K HA -0.165 4.155 4.320 0.001 0.000 0.208 388 K C 1.703 178.289 176.600 -0.024 0.000 1.048 388 K CA 1.567 57.826 56.287 -0.047 0.000 0.929 388 K CB -0.222 32.236 32.500 -0.070 0.000 0.713 388 K HN 0.233 nan 8.250 nan 0.000 0.439 389 D N 0.513 120.903 120.400 -0.016 0.000 2.218 389 D HA -0.094 4.547 4.640 0.001 0.000 0.204 389 D C 1.844 178.147 176.300 0.004 0.000 0.976 389 D CA 0.907 54.905 54.000 -0.004 0.000 0.853 389 D CB -0.152 40.651 40.800 0.004 0.000 0.939 389 D HN 0.005 nan 8.370 nan 0.000 0.481 390 S N 0.201 115.911 115.700 0.017 0.000 2.399 390 S HA -0.044 4.426 4.470 0.001 0.000 0.231 390 S C 1.911 176.524 174.600 0.023 0.000 1.022 390 S CA 0.445 58.660 58.200 0.026 0.000 0.983 390 S CB -0.051 63.205 63.200 0.093 0.000 0.803 390 S HN 0.296 nan 8.310 nan 0.000 0.480 391 L N 0.591 121.829 121.223 0.024 0.000 2.599 391 L HA 0.174 4.514 4.340 0.001 0.000 0.230 391 L C 0.613 177.487 176.870 0.007 0.000 1.141 391 L CA 0.003 54.853 54.840 0.017 0.000 0.877 391 L CB -0.282 41.775 42.059 -0.004 0.000 1.009 391 L HN 0.224 nan 8.230 nan 0.000 0.447 392 R N 0.000 120.502 120.500 0.004 0.000 2.786 392 R HA 0.000 4.340 4.340 0.001 0.000 0.208 392 R CA 0.000 56.103 56.100 0.005 0.000 0.921 392 R CB 0.000 30.307 30.300 0.012 0.000 0.687 392 R HN 0.000 nan 8.270 nan 0.000 0.535