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 2z3m_1_A DATA FIRST_RESID 2 DATA SEQUENCE RLVQLSRHSI AFPSPEGALR EPNGLLALGG DLSPARLLMA YQRGIFPWFS DATA SEQUENCE PGDPILWWSP DPRAVLWPES LHISRSMKRF HKRSPYRVTM NYAFGQVIEG DATA SEQUENCE CASDREEGTW ITRGVVEAYH RLHELGHAHS IEVWREDELV GGMYGVAQGT DATA SEQUENCE LFCGESMFSR MENASKTALL VFCEEFIGHG GKLIDCQVLN DHTASLGACE DATA SEQUENCE IPRRDYLNYL NQMRLGRLPN NFWVPRCLFS P VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.277 176.300 -0.038 0.000 0.893 2 R CA 0.000 56.081 56.100 -0.031 0.000 0.921 2 R CB 0.000 30.284 30.300 -0.027 0.000 0.687 3 L N 3.311 124.508 121.223 -0.043 0.000 2.363 3 L HA 0.258 4.598 4.340 0.001 0.000 0.286 3 L C 1.125 177.970 176.870 -0.040 0.000 1.106 3 L CA -0.536 54.274 54.840 -0.050 0.000 0.859 3 L CB 1.157 43.178 42.059 -0.063 0.000 1.223 3 L HN 0.257 nan 8.230 nan 0.000 0.446 4 V N 4.239 124.128 119.914 -0.040 0.000 2.694 4 V HA -0.097 4.023 4.120 0.001 0.000 0.306 4 V C 0.413 176.480 176.094 -0.046 0.000 1.054 4 V CA -0.032 62.240 62.300 -0.046 0.000 1.161 4 V CB 1.357 33.146 31.823 -0.056 0.000 0.916 4 V HN 0.845 nan 8.190 nan 0.000 0.490 5 Q N 6.568 126.339 119.800 -0.050 0.000 2.456 5 Q HA 0.402 4.742 4.340 0.001 0.000 0.234 5 Q C -0.487 175.467 176.000 -0.076 0.000 1.061 5 Q CA -0.056 55.721 55.803 -0.043 0.000 0.896 5 Q CB 0.422 29.140 28.738 -0.033 0.000 1.233 5 Q HN 0.775 nan 8.270 nan 0.000 0.506 6 L N 1.637 122.793 121.223 -0.111 0.000 2.536 6 L HA 0.022 4.362 4.340 0.001 0.000 0.294 6 L C 0.573 177.362 176.870 -0.135 0.000 1.257 6 L CA 0.274 54.998 54.840 -0.195 0.000 0.850 6 L CB 0.222 42.085 42.059 -0.327 0.000 1.105 6 L HN 0.574 nan 8.230 nan 0.000 0.517 7 S N 1.261 116.870 115.700 -0.151 0.000 2.525 7 S HA 0.239 4.710 4.470 0.001 0.000 0.290 7 S C 0.908 175.468 174.600 -0.066 0.000 1.152 7 S CA -0.766 57.383 58.200 -0.085 0.000 1.072 7 S CB 1.609 64.764 63.200 -0.075 0.000 1.027 7 S HN 0.694 nan 8.310 nan 0.000 0.500 8 R N 2.145 122.634 120.500 -0.019 0.000 2.075 8 R HA -0.119 4.221 4.340 0.001 0.000 0.232 8 R C 1.905 178.208 176.300 0.006 0.000 1.126 8 R CA 1.398 57.490 56.100 -0.013 0.000 0.963 8 R CB -0.789 29.509 30.300 -0.003 0.000 0.858 8 R HN 0.924 nan 8.270 nan 0.000 0.435 9 H N 0.697 119.728 119.070 -0.065 0.000 2.289 9 H HA -0.098 4.458 4.556 0.001 0.000 0.294 9 H C 0.186 175.470 175.328 -0.073 0.000 1.095 9 H CA 1.834 57.846 56.048 -0.060 0.000 1.256 9 H CB -0.082 29.646 29.762 -0.055 0.000 1.359 9 H HN 0.298 nan 8.280 nan 0.000 0.487 10 S N -0.479 115.310 115.700 0.148 0.000 2.568 10 S HA 0.476 4.947 4.470 0.001 0.000 0.293 10 S C -0.628 173.909 174.600 -0.106 0.000 1.089 10 S CA -1.022 57.207 58.200 0.048 0.000 0.945 10 S CB 2.181 65.408 63.200 0.045 0.000 1.077 10 S HN 0.084 nan 8.310 nan 0.000 0.485 11 I N 2.250 122.747 120.570 -0.120 0.000 2.322 11 I HA 0.643 4.813 4.170 0.001 0.000 0.292 11 I C 0.253 176.223 176.117 -0.246 0.000 1.060 11 I CA 0.466 61.636 61.300 -0.217 0.000 1.309 11 I CB 0.407 38.337 38.000 -0.117 0.000 1.415 11 I HN 0.993 nan 8.210 nan 0.000 0.492 12 A N 6.499 129.054 122.820 -0.442 0.000 2.530 12 A HA 0.695 5.015 4.320 0.001 0.000 0.297 12 A C -1.409 175.862 177.584 -0.522 0.000 1.059 12 A CA -0.499 51.340 52.037 -0.330 0.000 0.782 12 A CB 0.306 19.192 19.000 -0.191 0.000 1.301 12 A HN 0.329 nan 8.150 nan 0.000 0.394 13 F N 2.698 122.552 119.950 -0.160 0.000 2.523 13 F HA 0.756 5.284 4.527 0.001 0.000 0.329 13 F C -1.604 174.125 175.800 -0.118 0.000 1.061 13 F CA -1.582 56.310 58.000 -0.179 0.000 0.967 13 F CB 1.886 40.772 39.000 -0.190 0.000 1.218 13 F HN 0.445 nan 8.300 nan 0.000 0.480 14 P HA 0.160 nan 4.420 nan 0.000 0.281 14 P C -0.761 176.563 177.300 0.040 0.000 1.264 14 P CA -0.497 62.625 63.100 0.036 0.000 0.824 14 P CB 1.545 33.248 31.700 0.005 0.000 1.092 15 S N 1.195 116.904 115.700 0.016 0.000 2.552 15 S HA 0.054 4.524 4.470 0.001 0.000 0.289 15 S C -1.358 173.243 174.600 0.002 0.000 1.304 15 S CA -0.796 57.410 58.200 0.010 0.000 1.063 15 S CB -0.385 62.817 63.200 0.003 0.000 0.848 15 S HN 0.241 nan 8.310 nan 0.000 0.499 16 P HA -0.077 nan 4.420 nan 0.000 0.219 16 P C 1.143 178.442 177.300 -0.001 0.000 1.146 16 P CA 0.759 63.855 63.100 -0.006 0.000 0.808 16 P CB 0.132 31.836 31.700 0.008 0.000 0.779 17 E N -0.676 119.526 120.200 0.002 0.000 2.153 17 E HA -0.074 4.276 4.350 0.001 0.000 0.194 17 E C 2.127 178.724 176.600 -0.005 0.000 0.988 17 E CA 1.395 57.796 56.400 0.002 0.000 0.811 17 E CB -1.074 28.628 29.700 0.002 0.000 0.746 17 E HN 0.285 nan 8.360 nan 0.000 0.466 18 G N 0.915 109.710 108.800 -0.009 0.000 2.848 18 G HA2 0.116 4.077 3.960 0.001 0.000 0.208 18 G HA3 0.116 4.077 3.960 0.001 0.000 0.208 18 G C 0.728 175.613 174.900 -0.025 0.000 1.152 18 G CA 0.416 45.506 45.100 -0.016 0.000 0.789 18 G HN 0.299 nan 8.290 nan 0.000 0.531 19 A N -0.093 122.711 122.820 -0.027 0.000 2.448 19 A HA 0.502 4.823 4.320 0.001 0.000 0.239 19 A C 0.554 178.116 177.584 -0.037 0.000 1.080 19 A CA -0.291 51.719 52.037 -0.044 0.000 0.779 19 A CB 0.293 19.270 19.000 -0.038 0.000 1.026 19 A HN 0.272 nan 8.150 nan 0.000 0.499 20 L N 0.715 121.905 121.223 -0.055 0.000 2.473 20 L HA 0.200 4.540 4.340 0.001 0.000 0.268 20 L C 1.980 178.846 176.870 -0.006 0.000 1.215 20 L CA 0.014 54.833 54.840 -0.036 0.000 0.823 20 L CB 0.380 42.406 42.059 -0.055 0.000 1.099 20 L HN 1.017 nan 8.230 nan 0.000 0.483 21 R N 0.681 121.182 120.500 0.001 0.000 2.223 21 R HA 0.074 4.415 4.340 0.001 0.000 0.198 21 R C -0.228 176.084 176.300 0.020 0.000 0.984 21 R CA 0.493 56.599 56.100 0.011 0.000 1.018 21 R CB 0.521 30.824 30.300 0.005 0.000 0.945 21 R HN 0.646 nan 8.270 nan 0.000 0.479 22 E N 1.261 121.474 120.200 0.021 0.000 2.428 22 E HA 0.224 4.574 4.350 0.001 0.000 0.307 22 E C -2.633 173.988 176.600 0.036 0.000 0.902 22 E CA -1.786 54.633 56.400 0.031 0.000 0.799 22 E CB 1.338 31.048 29.700 0.017 0.000 1.351 22 E HN 0.117 nan 8.360 nan 0.000 0.392 23 P HA 0.062 nan 4.420 nan 0.000 0.263 23 P C -0.309 177.112 177.300 0.202 0.000 1.195 23 P CA -0.279 62.916 63.100 0.159 0.000 0.762 23 P CB 0.537 32.410 31.700 0.289 0.000 0.799 24 N N 2.295 121.081 118.700 0.143 0.000 2.332 24 N HA -0.047 4.694 4.740 0.001 0.000 0.274 24 N C 1.535 177.182 175.510 0.229 0.000 1.351 24 N CA 1.872 54.992 53.050 0.115 0.000 0.875 24 N CB -0.232 38.273 38.487 0.030 0.000 1.140 24 N HN 0.793 nan 8.380 nan 0.000 0.489 25 G N 3.166 112.055 108.800 0.148 0.000 2.217 25 G HA2 -0.256 3.704 3.960 0.001 0.000 0.246 25 G HA3 -0.256 3.704 3.960 0.001 0.000 0.246 25 G C 0.439 175.360 174.900 0.035 0.000 0.990 25 G CA -0.023 45.161 45.100 0.140 0.000 0.627 25 G HN 0.594 nan 8.290 nan 0.000 0.522 26 L N 1.237 122.378 121.223 -0.137 0.000 2.745 26 L HA 0.226 4.566 4.340 0.001 0.000 0.273 26 L C 1.637 178.277 176.870 -0.383 0.000 1.156 26 L CA 0.698 55.091 54.840 -0.746 0.000 0.982 26 L CB 0.588 42.194 42.059 -0.755 0.000 1.295 26 L HN 0.401 nan 8.230 nan 0.000 0.483 27 L N 5.301 126.316 121.223 -0.346 0.000 2.577 27 L HA 0.530 4.870 4.340 0.001 0.000 0.225 27 L C 0.338 177.160 176.870 -0.080 0.000 1.053 27 L CA 1.001 55.750 54.840 -0.152 0.000 0.866 27 L CB 0.409 42.415 42.059 -0.087 0.000 1.132 27 L HN 0.615 nan 8.230 nan 0.000 0.486 28 A N -0.408 122.389 122.820 -0.038 0.000 2.586 28 A HA 0.649 4.969 4.320 0.001 0.000 0.291 28 A C -1.806 175.912 177.584 0.223 0.000 1.062 28 A CA -0.221 51.855 52.037 0.066 0.000 0.666 28 A CB 0.738 19.787 19.000 0.081 0.000 1.281 28 A HN 0.316 nan 8.150 nan 0.000 0.421 29 L N -1.572 119.767 121.223 0.192 0.000 2.409 29 L HA 0.976 5.317 4.340 0.001 0.000 0.255 29 L C 0.352 177.350 176.870 0.213 0.000 1.027 29 L CA -0.261 54.728 54.840 0.248 0.000 0.834 29 L CB 1.594 43.697 42.059 0.072 0.000 1.426 29 L HN 2.596 nan 8.230 nan 0.000 0.411 30 G N -0.104 108.831 108.800 0.225 0.000 2.545 30 G HA2 0.358 4.319 3.960 0.001 0.000 0.216 30 G HA3 0.358 4.319 3.960 0.001 0.000 0.216 30 G C 0.346 175.395 174.900 0.248 0.000 1.314 30 G CA 0.009 45.196 45.100 0.145 0.000 0.906 30 G HN 2.701 nan 8.290 nan 0.000 0.563 31 G N -0.732 108.126 108.800 0.097 0.000 2.512 31 G HA2 0.428 4.389 3.960 0.001 0.000 0.240 31 G HA3 0.428 4.389 3.960 0.001 0.000 0.240 31 G C -0.212 174.775 174.900 0.144 0.000 1.246 31 G CA 1.219 46.359 45.100 0.066 0.000 0.919 31 G HN 2.773 nan 8.290 nan 0.000 0.577 32 D N -1.877 118.648 120.400 0.209 0.000 2.626 32 D HA 0.602 5.243 4.640 0.001 0.000 0.278 32 D C 0.245 176.751 176.300 0.343 0.000 1.211 32 D CA -0.932 53.194 54.000 0.210 0.000 0.903 32 D CB 0.803 41.669 40.800 0.111 0.000 1.408 32 D HN 0.570 nan 8.370 nan 0.000 0.454 33 L N 0.931 122.312 121.223 0.263 0.000 3.034 33 L HA 0.301 4.641 4.340 0.001 0.000 0.245 33 L C 0.286 177.265 176.870 0.182 0.000 1.295 33 L CA -0.478 54.533 54.840 0.285 0.000 1.068 33 L CB -0.304 41.906 42.059 0.251 0.000 1.426 33 L HN 0.504 nan 8.230 nan 0.000 0.531 34 S N -1.638 114.157 115.700 0.158 0.000 2.592 34 S HA 0.294 4.765 4.470 0.001 0.000 0.271 34 S C -1.663 172.986 174.600 0.081 0.000 1.326 34 S CA -1.047 57.209 58.200 0.092 0.000 1.024 34 S CB 1.302 64.541 63.200 0.064 0.000 0.921 34 S HN -0.027 nan 8.310 nan 0.000 0.527 35 P HA -0.142 nan 4.420 nan 0.000 0.216 35 P C 1.579 178.892 177.300 0.022 0.000 1.157 35 P CA 2.208 65.318 63.100 0.015 0.000 0.880 35 P CB -0.216 31.491 31.700 0.012 0.000 0.791 36 A N -0.688 122.149 122.820 0.028 0.000 1.969 36 A HA -0.187 4.134 4.320 0.001 0.000 0.218 36 A C 2.395 180.015 177.584 0.060 0.000 1.169 36 A CA 1.416 53.469 52.037 0.027 0.000 0.635 36 A CB -1.017 17.992 19.000 0.015 0.000 0.810 36 A HN 0.033 nan 8.150 nan 0.000 0.445 37 R N -0.506 120.041 120.500 0.078 0.000 2.073 37 R HA 0.050 4.390 4.340 0.001 0.000 0.229 37 R C 1.936 178.397 176.300 0.268 0.000 1.120 37 R CA 1.083 57.245 56.100 0.103 0.000 0.967 37 R CB -0.304 30.023 30.300 0.045 0.000 0.862 37 R HN 0.507 nan 8.270 nan 0.000 0.436 38 L N 0.564 121.961 121.223 0.291 0.000 2.027 38 L HA -0.197 4.143 4.340 0.001 0.000 0.206 38 L C 2.326 179.409 176.870 0.356 0.000 1.074 38 L CA 0.708 55.778 54.840 0.383 0.000 0.745 38 L CB -0.386 41.833 42.059 0.268 0.000 0.898 38 L HN 0.210 nan 8.230 nan 0.000 0.433 39 L N -0.921 120.424 121.223 0.203 0.000 2.079 39 L HA -0.254 4.086 4.340 0.001 0.000 0.210 39 L C 2.484 179.458 176.870 0.173 0.000 1.081 39 L CA 1.795 56.712 54.840 0.129 0.000 0.752 39 L CB -0.603 41.412 42.059 -0.074 0.000 0.896 39 L HN 0.279 nan 8.230 nan 0.000 0.433 40 M N -0.915 118.789 119.600 0.174 0.000 2.117 40 M HA -0.126 4.354 4.480 0.001 0.000 0.262 40 M C 2.226 178.612 176.300 0.143 0.000 1.065 40 M CA 1.984 57.398 55.300 0.189 0.000 1.114 40 M CB -0.599 32.148 32.600 0.245 0.000 1.361 40 M HN 0.186 nan 8.290 nan 0.000 0.408 41 A N -0.916 121.955 122.820 0.085 0.000 1.883 41 A HA -0.209 4.112 4.320 0.001 0.000 0.217 41 A C 2.029 179.479 177.584 -0.223 0.000 1.186 41 A CA 1.941 53.748 52.037 -0.382 0.000 0.624 41 A CB -1.434 17.429 19.000 -0.229 0.000 0.822 41 A HN 0.632 nan 8.150 nan 0.000 0.444 42 Y N 0.033 120.377 120.300 0.072 0.000 2.224 42 Y HA -0.214 4.337 4.550 0.001 0.000 0.289 42 Y C 2.749 178.692 175.900 0.071 0.000 1.146 42 Y CA 1.728 59.890 58.100 0.103 0.000 1.182 42 Y CB -0.444 38.078 38.460 0.104 0.000 0.983 42 Y HN 0.420 nan 8.280 nan 0.000 0.524 43 Q N -0.093 119.811 119.800 0.174 0.000 2.061 43 Q HA -0.195 4.145 4.340 0.001 0.000 0.204 43 Q C 1.751 177.785 176.000 0.056 0.000 0.984 43 Q CA 1.551 57.420 55.803 0.109 0.000 0.846 43 Q CB -0.158 28.634 28.738 0.090 0.000 0.902 43 Q HN 0.470 nan 8.270 nan 0.000 0.421 44 R N -0.887 119.620 120.500 0.013 0.000 2.334 44 R HA 0.128 4.469 4.340 0.001 0.000 0.220 44 R C 0.671 176.958 176.300 -0.022 0.000 0.917 44 R CA 0.547 56.635 56.100 -0.020 0.000 1.073 44 R CB 0.663 30.939 30.300 -0.041 0.000 1.056 44 R HN 0.339 nan 8.270 nan 0.000 0.506 45 G N 1.713 110.532 108.800 0.031 0.000 2.149 45 G HA2 -0.193 3.768 3.960 0.001 0.000 0.235 45 G HA3 -0.193 3.768 3.960 0.001 0.000 0.235 45 G C 0.009 174.947 174.900 0.063 0.000 1.018 45 G CA -0.203 44.995 45.100 0.164 0.000 0.728 45 G HN 0.152 nan 8.290 nan 0.000 0.508 46 I N -0.167 120.326 120.570 -0.127 0.000 2.750 46 I HA 0.900 5.070 4.170 0.001 0.000 0.308 46 I C 0.184 176.207 176.117 -0.156 0.000 1.016 46 I CA -1.819 59.332 61.300 -0.248 0.000 1.098 46 I CB 1.265 38.919 38.000 -0.577 0.000 1.279 46 I HN 0.333 nan 8.210 nan 0.000 0.454 47 F N 2.506 122.451 119.950 -0.009 0.000 2.650 47 F HA 0.741 5.269 4.527 0.001 0.000 0.310 47 F C -3.262 172.624 175.800 0.142 0.000 1.112 47 F CA -2.308 55.667 58.000 -0.042 0.000 0.986 47 F CB 1.436 40.364 39.000 -0.119 0.000 1.285 47 F HN 0.136 nan 8.300 nan 0.000 0.440 48 P HA 0.267 nan 4.420 nan 0.000 0.284 48 P C -1.690 175.856 177.300 0.409 0.000 1.253 48 P CA 0.145 63.232 63.100 -0.020 0.000 0.800 48 P CB 1.599 33.068 31.700 -0.385 0.000 0.961 49 W N 6.205 127.679 121.300 0.290 0.000 3.651 49 W HA 0.502 5.162 4.660 0.001 0.000 0.322 49 W C -2.116 174.628 176.519 0.375 0.000 1.132 49 W CA -0.355 57.056 57.345 0.109 0.000 1.277 49 W CB 0.977 30.288 29.460 -0.248 0.000 1.249 49 W HN 0.427 nan 8.180 nan 0.000 0.448 50 F N 2.838 122.648 119.950 -0.233 0.000 2.741 50 F HA 0.757 5.284 4.527 0.001 0.000 0.311 50 F C -0.759 174.804 175.800 -0.396 0.000 1.149 50 F CA -1.050 56.887 58.000 -0.104 0.000 0.930 50 F CB 0.563 39.612 39.000 0.082 0.000 1.312 50 F HN 0.200 nan 8.300 nan 0.000 0.450 51 S N 0.019 115.700 115.700 -0.031 0.000 2.654 51 S HA 0.789 5.259 4.470 0.001 0.000 0.283 51 S C -3.050 171.621 174.600 0.118 0.000 1.180 51 S CA -1.616 56.535 58.200 -0.082 0.000 1.021 51 S CB 1.408 64.621 63.200 0.022 0.000 1.018 51 S HN 0.531 nan 8.310 nan 0.000 0.532 52 P HA 0.266 nan 4.420 nan 0.000 0.265 52 P C 0.871 178.232 177.300 0.102 0.000 1.187 52 P CA 1.310 64.460 63.100 0.083 0.000 0.766 52 P CB 0.145 31.849 31.700 0.008 0.000 0.820 53 G N 0.715 109.580 108.800 0.108 0.000 2.137 53 G HA2 -0.174 3.787 3.960 0.001 0.000 0.237 53 G HA3 -0.174 3.787 3.960 0.001 0.000 0.237 53 G C -0.286 174.665 174.900 0.086 0.000 1.002 53 G CA -0.206 44.940 45.100 0.078 0.000 0.702 53 G HN 0.542 nan 8.290 nan 0.000 0.515 54 D N -0.292 120.179 120.400 0.119 0.000 2.581 54 D HA 0.605 5.246 4.640 0.001 0.000 0.232 54 D C -1.980 174.298 176.300 -0.037 0.000 1.143 54 D CA -0.999 53.059 54.000 0.097 0.000 0.881 54 D CB 2.361 43.279 40.800 0.196 0.000 1.500 54 D HN 0.065 nan 8.370 nan 0.000 0.458 55 P HA 0.240 nan 4.420 nan 0.000 0.274 55 P C -0.152 176.877 177.300 -0.450 0.000 1.246 55 P CA -0.501 62.476 63.100 -0.205 0.000 0.795 55 P CB 0.807 32.460 31.700 -0.078 0.000 1.006 56 I N 1.179 121.412 120.570 -0.562 0.000 2.618 56 I HA 0.070 4.241 4.170 0.001 0.000 0.284 56 I C 0.755 176.725 176.117 -0.245 0.000 1.146 56 I CA 0.263 61.125 61.300 -0.730 0.000 1.425 56 I CB -0.826 36.979 38.000 -0.325 0.000 1.383 56 I HN 0.216 nan 8.210 nan 0.000 0.562 57 L N 6.041 127.183 121.223 -0.134 0.000 2.365 57 L HA 0.446 4.787 4.340 0.001 0.000 0.273 57 L C -1.231 175.525 176.870 -0.189 0.000 1.000 57 L CA -0.696 54.135 54.840 -0.014 0.000 0.819 57 L CB 1.796 44.011 42.059 0.259 0.000 1.284 57 L HN 0.498 nan 8.230 nan 0.000 0.418 58 W N 1.522 122.772 121.300 -0.084 0.000 2.587 58 W HA 0.538 5.198 4.660 0.001 0.000 0.324 58 W C -1.030 175.269 176.519 -0.367 0.000 1.040 58 W CA -0.281 57.037 57.345 -0.044 0.000 1.222 58 W CB 1.266 30.754 29.460 0.046 0.000 1.381 58 W HN 0.302 nan 8.180 nan 0.000 0.483 59 W N 1.011 122.113 121.300 -0.330 0.000 2.799 59 W HA 0.658 5.318 4.660 0.001 0.000 0.349 59 W C -0.111 175.971 176.519 -0.728 0.000 1.100 59 W CA -1.459 55.551 57.345 -0.558 0.000 1.174 59 W CB 1.816 30.830 29.460 -0.743 0.000 1.427 59 W HN 0.123 nan 8.180 nan 0.000 0.547 60 S N 2.806 118.401 115.700 -0.174 0.000 2.413 60 S HA 0.316 4.786 4.470 0.001 0.000 0.170 60 S C -2.735 171.862 174.600 -0.006 0.000 1.294 60 S CA -1.065 57.069 58.200 -0.109 0.000 1.201 60 S CB 0.107 63.275 63.200 -0.054 0.000 1.328 60 S HN 0.180 nan 8.310 nan 0.000 0.418 61 P HA 0.346 nan 4.420 nan 0.000 0.271 61 P C -1.012 176.304 177.300 0.027 0.000 1.218 61 P CA 0.017 63.140 63.100 0.038 0.000 0.780 61 P CB 0.767 32.484 31.700 0.028 0.000 0.901 62 D N 2.350 122.765 120.400 0.024 0.000 2.855 62 D HA 0.341 4.981 4.640 0.001 0.000 0.241 62 D C -2.422 173.886 176.300 0.014 0.000 1.277 62 D CA -2.293 51.723 54.000 0.025 0.000 0.918 62 D CB 1.369 42.188 40.800 0.033 0.000 1.462 62 D HN 0.154 nan 8.370 nan 0.000 0.559 63 P HA 0.282 nan 4.420 nan 0.000 0.274 63 P C -0.625 176.670 177.300 -0.009 0.000 1.260 63 P CA -0.567 62.544 63.100 0.017 0.000 0.793 63 P CB 0.899 32.613 31.700 0.022 0.000 1.048 64 R N -0.081 120.407 120.500 -0.021 0.000 2.532 64 R HA 0.625 4.966 4.340 0.001 0.000 0.295 64 R C -0.618 175.610 176.300 -0.119 0.000 0.968 64 R CA -0.578 55.453 56.100 -0.115 0.000 0.916 64 R CB 0.967 31.116 30.300 -0.252 0.000 1.124 64 R HN 0.580 nan 8.270 nan 0.000 0.463 65 A N 2.979 125.704 122.820 -0.158 0.000 2.354 65 A HA 0.582 4.903 4.320 0.001 0.000 0.269 65 A C -0.857 176.622 177.584 -0.176 0.000 1.109 65 A CA -0.378 51.578 52.037 -0.136 0.000 0.800 65 A CB 0.956 19.868 19.000 -0.146 0.000 1.045 65 A HN 0.503 nan 8.150 nan 0.000 0.489 66 V N 2.106 121.939 119.914 -0.135 0.000 3.087 66 V HA 0.558 4.678 4.120 0.001 0.000 0.306 66 V C -1.552 174.422 176.094 -0.199 0.000 1.187 66 V CA -0.533 61.646 62.300 -0.201 0.000 0.999 66 V CB 2.199 33.887 31.823 -0.225 0.000 1.049 66 V HN 0.998 nan 8.190 nan 0.000 0.431 67 L N 3.461 124.532 121.223 -0.252 0.000 2.406 67 L HA 0.668 5.009 4.340 0.001 0.000 0.272 67 L C -1.641 175.111 176.870 -0.197 0.000 0.980 67 L CA -0.108 54.646 54.840 -0.142 0.000 0.831 67 L CB 1.681 43.712 42.059 -0.047 0.000 1.253 67 L HN 0.662 nan 8.230 nan 0.000 0.406 68 W N 7.647 128.983 121.300 0.060 0.000 2.387 68 W HA 0.398 5.058 4.660 0.001 0.000 0.310 68 W C -1.347 175.216 176.519 0.072 0.000 1.181 68 W CA -1.374 56.005 57.345 0.058 0.000 1.333 68 W CB 0.515 29.990 29.460 0.025 0.000 1.286 68 W HN 0.532 nan 8.180 nan 0.000 0.455 69 P HA -0.352 nan 4.420 nan 0.000 0.226 69 P C 1.002 178.398 177.300 0.160 0.000 1.154 69 P CA 2.393 65.624 63.100 0.219 0.000 0.918 69 P CB 0.377 32.235 31.700 0.264 0.000 0.790 70 E N -1.250 119.049 120.200 0.165 0.000 2.152 70 E HA -0.048 4.302 4.350 0.001 0.000 0.192 70 E C 1.736 178.397 176.600 0.101 0.000 0.983 70 E CA 1.055 57.516 56.400 0.103 0.000 0.818 70 E CB -1.101 28.642 29.700 0.072 0.000 0.758 70 E HN 0.209 nan 8.360 nan 0.000 0.467 71 S N 0.714 116.508 115.700 0.156 0.000 2.603 71 S HA 0.081 4.552 4.470 0.001 0.000 0.220 71 S C 0.541 175.220 174.600 0.133 0.000 0.967 71 S CA -0.395 57.891 58.200 0.143 0.000 0.920 71 S CB -0.336 62.982 63.200 0.196 0.000 0.773 71 S HN 0.187 nan 8.310 nan 0.000 0.529 72 L N 4.035 125.325 121.223 0.112 0.000 2.601 72 L HA 0.018 4.358 4.340 0.001 0.000 0.277 72 L C 0.286 177.206 176.870 0.084 0.000 1.219 72 L CA 0.538 55.431 54.840 0.089 0.000 0.915 72 L CB -0.026 42.067 42.059 0.057 0.000 1.160 72 L HN 0.237 nan 8.230 nan 0.000 0.494 73 H N 6.909 125.990 119.070 0.018 0.000 2.580 73 H HA 0.341 4.897 4.556 0.001 0.000 0.322 73 H C -1.041 174.290 175.328 0.004 0.000 1.082 73 H CA -0.517 55.540 56.048 0.014 0.000 1.383 73 H CB 0.896 30.668 29.762 0.016 0.000 1.450 73 H HN 0.516 nan 8.280 nan 0.000 0.505 74 I N 5.049 125.326 120.570 -0.489 0.000 2.468 74 I HA 0.022 4.193 4.170 0.001 0.000 0.284 74 I C 0.721 176.638 176.117 -0.333 0.000 1.038 74 I CA -0.639 60.506 61.300 -0.258 0.000 1.083 74 I CB 0.992 38.905 38.000 -0.146 0.000 1.223 74 I HN 0.545 nan 8.210 nan 0.000 0.443 75 S N 6.158 121.794 115.700 -0.106 0.000 2.580 75 S HA 0.244 4.714 4.470 0.001 0.000 0.266 75 S C 1.229 175.822 174.600 -0.011 0.000 1.354 75 S CA -0.190 58.011 58.200 0.001 0.000 1.008 75 S CB 1.195 64.452 63.200 0.096 0.000 0.898 75 S HN 0.628 nan 8.310 nan 0.000 0.555 76 R N 0.886 121.395 120.500 0.014 0.000 2.092 76 R HA -0.070 4.271 4.340 0.001 0.000 0.231 76 R C 2.762 179.089 176.300 0.046 0.000 1.119 76 R CA 1.482 57.595 56.100 0.022 0.000 0.970 76 R CB -0.698 29.617 30.300 0.026 0.000 0.864 76 R HN 0.908 nan 8.270 nan 0.000 0.440 77 S N 0.776 116.506 115.700 0.051 0.000 2.383 77 S HA -0.179 4.292 4.470 0.001 0.000 0.227 77 S C 1.986 176.650 174.600 0.106 0.000 1.026 77 S CA 1.115 59.357 58.200 0.070 0.000 0.981 77 S CB -0.166 63.063 63.200 0.049 0.000 0.818 77 S HN 0.139 nan 8.310 nan 0.000 0.472 78 M N 2.017 121.661 119.600 0.073 0.000 2.117 78 M HA 0.063 4.544 4.480 0.001 0.000 0.262 78 M C 1.898 178.306 176.300 0.180 0.000 1.065 78 M CA 1.606 56.964 55.300 0.097 0.000 1.114 78 M CB -0.558 32.058 32.600 0.027 0.000 1.361 78 M HN 0.223 nan 8.290 nan 0.000 0.408 79 K N -0.926 119.541 120.400 0.113 0.000 2.057 79 K HA -0.145 4.175 4.320 0.001 0.000 0.207 79 K C 2.263 178.948 176.600 0.141 0.000 1.049 79 K CA 1.459 57.819 56.287 0.121 0.000 0.931 79 K CB -0.240 32.296 32.500 0.060 0.000 0.714 79 K HN 0.313 nan 8.250 nan 0.000 0.440 80 R N -0.043 120.532 120.500 0.125 0.000 2.096 80 R HA -0.125 4.216 4.340 0.001 0.000 0.235 80 R C 2.087 178.463 176.300 0.127 0.000 1.127 80 R CA 1.375 57.536 56.100 0.102 0.000 0.968 80 R CB -0.215 30.139 30.300 0.091 0.000 0.861 80 R HN 0.161 nan 8.270 nan 0.000 0.440 81 F N -0.236 119.736 119.950 0.036 0.000 2.098 81 F HA -0.180 4.348 4.527 0.001 0.000 0.294 81 F C 2.269 178.099 175.800 0.049 0.000 1.107 81 F CA 1.957 59.976 58.000 0.031 0.000 1.234 81 F CB -0.335 38.689 39.000 0.039 0.000 1.002 81 F HN 0.101 nan 8.300 nan 0.000 0.472 82 H N 0.590 119.773 119.070 0.187 0.000 2.421 82 H HA -0.127 4.429 4.556 0.001 0.000 0.298 82 H C 2.283 177.614 175.328 0.006 0.000 1.087 82 H CA 1.955 58.035 56.048 0.053 0.000 1.330 82 H CB -0.278 29.509 29.762 0.042 0.000 1.388 82 H HN 0.300 nan 8.280 nan 0.000 0.526 83 K N 0.423 120.808 120.400 -0.025 0.000 2.103 83 K HA -0.107 4.214 4.320 0.001 0.000 0.207 83 K C 0.639 177.174 176.600 -0.108 0.000 1.048 83 K CA 1.371 57.627 56.287 -0.052 0.000 0.930 83 K CB 0.126 32.626 32.500 -0.001 0.000 0.716 83 K HN 0.273 nan 8.250 nan 0.000 0.444 84 R N 0.907 121.307 120.500 -0.167 0.000 2.865 84 R HA 0.143 4.484 4.340 0.001 0.000 0.370 84 R C -0.460 175.635 176.300 -0.341 0.000 1.168 84 R CA -0.235 55.743 56.100 -0.203 0.000 1.058 84 R CB 1.086 31.279 30.300 -0.178 0.000 1.419 84 R HN -0.007 nan 8.270 nan 0.000 0.580 85 S N 2.353 117.860 115.700 -0.321 0.000 2.558 85 S HA 0.059 4.529 4.470 0.001 0.000 0.291 85 S C -1.320 173.117 174.600 -0.271 0.000 1.306 85 S CA -0.685 57.291 58.200 -0.373 0.000 1.056 85 S CB 0.609 63.759 63.200 -0.082 0.000 0.836 85 S HN 0.273 nan 8.310 nan 0.000 0.504 86 P HA 0.230 nan 4.420 nan 0.000 0.280 86 P C -0.991 176.214 177.300 -0.159 0.000 1.431 86 P CA -0.029 62.874 63.100 -0.329 0.000 1.058 86 P CB -0.023 31.398 31.700 -0.465 0.000 1.521 87 Y N 0.125 120.530 120.300 0.176 0.000 2.509 87 Y HA 0.560 5.110 4.550 0.001 0.000 0.341 87 Y C 0.958 177.062 175.900 0.340 0.000 1.038 87 Y CA -1.351 56.889 58.100 0.233 0.000 1.089 87 Y CB 2.174 40.763 38.460 0.214 0.000 1.241 87 Y HN -0.302 nan 8.280 nan 0.000 0.468 88 R N 1.322 122.121 120.500 0.498 0.000 2.514 88 R HA 0.735 5.075 4.340 0.001 0.000 0.301 88 R C -2.125 174.441 176.300 0.444 0.000 0.962 88 R CA -0.557 55.792 56.100 0.415 0.000 0.882 88 R CB 1.304 31.761 30.300 0.261 0.000 1.143 88 R HN 0.552 nan 8.270 nan 0.000 0.452 89 V N 3.628 123.783 119.914 0.401 0.000 2.495 89 V HA 0.497 4.618 4.120 0.001 0.000 0.298 89 V C -0.150 176.052 176.094 0.180 0.000 1.031 89 V CA -0.628 61.828 62.300 0.261 0.000 0.871 89 V CB 1.718 33.670 31.823 0.215 0.000 0.988 89 V HN 1.035 nan 8.190 nan 0.000 0.432 90 T N 1.690 116.320 114.554 0.125 0.000 2.901 90 T HA 0.769 5.120 4.350 0.001 0.000 0.293 90 T C -0.680 174.083 174.700 0.106 0.000 1.084 90 T CA -0.770 61.322 62.100 -0.013 0.000 1.008 90 T CB 2.148 70.706 68.868 -0.517 0.000 1.170 90 T HN 0.585 nan 8.240 nan 0.000 0.509 91 M N 2.453 122.157 119.600 0.174 0.000 2.243 91 M HA 0.410 4.890 4.480 0.001 0.000 0.324 91 M C -0.578 175.965 176.300 0.405 0.000 1.031 91 M CA -0.227 55.223 55.300 0.251 0.000 0.949 91 M CB 0.521 33.206 32.600 0.143 0.000 1.615 91 M HN 0.844 nan 8.290 nan 0.000 0.430 92 N N 3.643 122.601 118.700 0.430 0.000 2.725 92 N HA -0.242 4.499 4.740 0.001 0.000 0.251 92 N C -0.749 175.067 175.510 0.509 0.000 1.031 92 N CA 0.877 54.219 53.050 0.488 0.000 0.720 92 N CB -1.280 37.522 38.487 0.525 0.000 0.930 92 N HN 0.711 nan 8.380 nan 0.000 0.543 93 Y N -0.638 119.847 120.300 0.308 0.000 2.441 93 Y HA 0.376 4.927 4.550 0.001 0.000 0.288 93 Y C 1.441 177.533 175.900 0.322 0.000 1.118 93 Y CA 1.183 59.472 58.100 0.315 0.000 1.215 93 Y CB 0.644 39.360 38.460 0.426 0.000 1.118 93 Y HN 0.299 nan 8.280 nan 0.000 0.547 94 A N -1.128 121.975 122.820 0.470 0.000 3.409 94 A HA 0.216 4.537 4.320 0.001 0.000 0.282 94 A C 0.301 177.967 177.584 0.136 0.000 1.064 94 A CA -0.564 51.662 52.037 0.316 0.000 0.889 94 A CB -1.278 17.950 19.000 0.380 0.000 1.251 94 A HN 0.346 nan 8.150 nan 0.000 0.538 95 F N 1.519 121.412 119.950 -0.096 0.000 2.065 95 F HA -0.088 4.439 4.527 0.001 0.000 0.298 95 F C 2.128 177.710 175.800 -0.363 0.000 1.112 95 F CA 3.003 60.778 58.000 -0.376 0.000 1.212 95 F CB -0.149 38.249 39.000 -1.002 0.000 0.975 95 F HN 0.460 nan 8.300 nan 0.000 0.476 96 G N -0.808 108.004 108.800 0.021 0.000 2.469 96 G HA2 -0.312 3.649 3.960 0.001 0.000 0.220 96 G HA3 -0.312 3.649 3.960 0.001 0.000 0.220 96 G C 1.504 176.319 174.900 -0.142 0.000 1.136 96 G CA 0.998 46.098 45.100 -0.001 0.000 0.759 96 G HN 0.482 nan 8.290 nan 0.000 0.562 97 Q N -0.592 119.145 119.800 -0.105 0.000 2.172 97 Q HA 0.035 4.375 4.340 0.001 0.000 0.200 97 Q C 2.843 178.645 176.000 -0.329 0.000 0.964 97 Q CA 0.738 56.448 55.803 -0.155 0.000 0.855 97 Q CB 0.044 28.766 28.738 -0.026 0.000 0.918 97 Q HN 0.434 nan 8.270 nan 0.000 0.444 98 V N 0.716 120.415 119.914 -0.359 0.000 2.283 98 V HA -0.219 3.901 4.120 0.001 0.000 0.243 98 V C 2.100 177.833 176.094 -0.601 0.000 1.039 98 V CA 1.168 63.250 62.300 -0.364 0.000 1.016 98 V CB -0.432 31.236 31.823 -0.258 0.000 0.650 98 V HN 0.363 nan 8.190 nan 0.000 0.449 99 I N 0.851 120.904 120.570 -0.861 0.000 2.208 99 I HA -0.210 3.961 4.170 0.001 0.000 0.245 99 I C 2.367 178.108 176.117 -0.627 0.000 1.097 99 I CA 1.820 62.540 61.300 -0.967 0.000 1.363 99 I CB -0.777 36.453 38.000 -1.284 0.000 1.051 99 I HN 0.402 nan 8.210 nan 0.000 0.413 100 E N 0.263 120.147 120.200 -0.527 0.000 2.153 100 E HA -0.101 4.249 4.350 0.001 0.000 0.194 100 E C 2.213 178.505 176.600 -0.513 0.000 0.988 100 E CA 1.358 57.510 56.400 -0.413 0.000 0.811 100 E CB -0.757 28.772 29.700 -0.286 0.000 0.746 100 E HN 0.520 nan 8.360 nan 0.000 0.466 101 G N -0.516 107.807 108.800 -0.795 0.000 2.394 101 G HA2 -0.232 3.728 3.960 0.001 0.000 0.215 101 G HA3 -0.232 3.728 3.960 0.001 0.000 0.215 101 G C 1.773 176.154 174.900 -0.865 0.000 1.165 101 G CA 0.835 45.203 45.100 -1.221 0.000 0.784 101 G HN 0.413 nan 8.290 nan 0.000 0.535 102 C N 1.000 119.913 119.300 -0.644 0.000 2.446 102 C HA 0.247 4.707 4.460 0.001 0.000 0.277 102 C C 3.469 178.268 174.990 -0.318 0.000 1.275 102 C CA 0.702 59.552 59.018 -0.281 0.000 1.727 102 C CB -0.815 26.856 27.740 -0.116 0.000 2.010 102 C HN 0.530 nan 8.230 nan 0.000 0.486 103 A N 0.001 122.576 122.820 -0.409 0.000 2.119 103 A HA -0.067 4.253 4.320 0.001 0.000 0.217 103 A C 2.177 179.580 177.584 -0.301 0.000 1.153 103 A CA 1.719 53.511 52.037 -0.409 0.000 0.692 103 A CB -0.416 18.336 19.000 -0.414 0.000 0.799 103 A HN 0.541 nan 8.150 nan 0.000 0.458 104 S N -0.125 115.407 115.700 -0.279 0.000 2.524 104 S HA -0.004 4.466 4.470 0.001 0.000 0.216 104 S C 0.621 175.136 174.600 -0.142 0.000 0.987 104 S CA -0.220 57.858 58.200 -0.202 0.000 0.909 104 S CB -0.122 62.952 63.200 -0.209 0.000 0.781 104 S HN 0.627 nan 8.310 nan 0.000 0.521 105 D N 2.111 122.431 120.400 -0.134 0.000 2.346 105 D HA 0.047 4.687 4.640 0.001 0.000 0.267 105 D C 0.845 177.111 176.300 -0.057 0.000 1.320 105 D CA 0.068 54.031 54.000 -0.062 0.000 0.951 105 D CB 0.270 41.058 40.800 -0.021 0.000 1.079 105 D HN 0.160 nan 8.370 nan 0.000 0.509 106 R N 2.203 122.675 120.500 -0.046 0.000 2.303 106 R HA -0.124 4.217 4.340 0.001 0.000 0.225 106 R C 1.663 177.956 176.300 -0.012 0.000 1.114 106 R CA 0.627 56.706 56.100 -0.036 0.000 1.007 106 R CB 0.279 30.561 30.300 -0.030 0.000 0.861 106 R HN 0.444 nan 8.270 nan 0.000 0.471 107 E N 0.964 121.163 120.200 -0.001 0.000 2.033 107 E HA -0.107 4.243 4.350 0.001 0.000 0.189 107 E C 0.231 176.858 176.600 0.045 0.000 0.979 107 E CA 1.233 57.643 56.400 0.017 0.000 0.802 107 E CB 0.395 30.103 29.700 0.012 0.000 0.763 107 E HN 0.351 nan 8.360 nan 0.000 0.449 108 E N -1.496 118.739 120.200 0.059 0.000 3.428 108 E HA 0.288 4.639 4.350 0.001 0.000 0.191 108 E C 0.221 176.918 176.600 0.161 0.000 0.980 108 E CA 0.072 56.554 56.400 0.136 0.000 1.305 108 E CB 1.296 31.081 29.700 0.141 0.000 1.105 108 E HN 0.121 nan 8.360 nan 0.000 0.455 109 G N 0.724 109.523 108.800 -0.001 0.000 3.441 109 G HA2 -0.085 3.876 3.960 0.001 0.000 0.263 109 G HA3 -0.085 3.876 3.960 0.001 0.000 0.263 109 G C 1.389 176.085 174.900 -0.340 0.000 1.014 109 G CA 0.282 45.245 45.100 -0.228 0.000 0.833 109 G HN 0.261 nan 8.290 nan 0.000 0.514 110 T N -1.620 112.840 114.554 -0.155 0.000 2.833 110 T HA -0.185 4.166 4.350 0.001 0.000 0.269 110 T C 2.123 176.649 174.700 -0.290 0.000 1.054 110 T CA 1.300 63.297 62.100 -0.172 0.000 1.135 110 T CB -0.552 68.279 68.868 -0.061 0.000 0.869 110 T HN 0.580 nan 8.240 nan 0.000 0.466 111 W N 1.810 122.851 121.300 -0.431 0.000 2.611 111 W HA 0.264 4.925 4.660 0.001 0.000 0.251 111 W C 0.170 176.293 176.519 -0.660 0.000 1.265 111 W CA -0.414 56.467 57.345 -0.772 0.000 1.295 111 W CB -0.736 27.983 29.460 -1.235 0.000 1.129 111 W HN 0.223 nan 8.180 nan 0.000 0.630 112 I N 4.001 123.866 120.570 -1.174 0.000 2.204 112 I HA -0.011 4.160 4.170 0.001 0.000 0.285 112 I C 1.210 176.987 176.117 -0.566 0.000 1.112 112 I CA -0.096 60.559 61.300 -1.076 0.000 1.502 112 I CB -0.367 36.951 38.000 -1.137 0.000 1.499 112 I HN -0.177 nan 8.210 nan 0.000 0.661 113 T N -0.435 113.855 114.554 -0.439 0.000 2.734 113 T HA 0.023 4.373 4.350 0.001 0.000 0.314 113 T C 1.340 175.956 174.700 -0.140 0.000 1.057 113 T CA -0.362 61.599 62.100 -0.232 0.000 1.047 113 T CB 1.190 69.981 68.868 -0.128 0.000 0.991 113 T HN 0.417 nan 8.240 nan 0.000 0.540 114 R N 0.940 121.399 120.500 -0.068 0.000 2.096 114 R HA 0.047 4.387 4.340 0.001 0.000 0.235 114 R C 2.543 178.860 176.300 0.027 0.000 1.127 114 R CA 2.070 58.153 56.100 -0.028 0.000 0.968 114 R CB -1.336 28.955 30.300 -0.014 0.000 0.861 114 R HN 0.882 nan 8.270 nan 0.000 0.440 115 G N -0.852 107.988 108.800 0.067 0.000 2.422 115 G HA2 -0.142 3.819 3.960 0.001 0.000 0.218 115 G HA3 -0.142 3.819 3.960 0.001 0.000 0.218 115 G C 1.338 176.333 174.900 0.159 0.000 1.140 115 G CA 0.823 45.997 45.100 0.123 0.000 0.775 115 G HN 0.244 nan 8.290 nan 0.000 0.545 116 V N 0.542 120.531 119.914 0.125 0.000 2.379 116 V HA -0.130 3.990 4.120 0.001 0.000 0.245 116 V C 2.980 179.202 176.094 0.214 0.000 1.044 116 V CA 1.258 63.667 62.300 0.182 0.000 1.036 116 V CB -0.248 31.555 31.823 -0.034 0.000 0.664 116 V HN 0.237 nan 8.190 nan 0.000 0.453 117 V N 0.171 120.117 119.914 0.053 0.000 2.287 117 V HA -0.295 3.826 4.120 0.001 0.000 0.248 117 V C 2.433 178.661 176.094 0.223 0.000 1.053 117 V CA 2.231 64.566 62.300 0.058 0.000 1.027 117 V CB -0.735 31.081 31.823 -0.012 0.000 0.646 117 V HN 0.610 nan 8.190 nan 0.000 0.447 118 E N 0.292 120.609 120.200 0.194 0.000 2.077 118 E HA -0.212 4.139 4.350 0.001 0.000 0.193 118 E C 2.352 179.070 176.600 0.196 0.000 0.989 118 E CA 1.302 57.821 56.400 0.198 0.000 0.800 118 E CB -0.384 29.383 29.700 0.111 0.000 0.746 118 E HN 0.603 nan 8.360 nan 0.000 0.452 119 A N 0.782 123.712 122.820 0.183 0.000 1.883 119 A HA -0.209 4.111 4.320 0.001 0.000 0.217 119 A C 1.798 179.391 177.584 0.015 0.000 1.186 119 A CA 1.500 53.600 52.037 0.104 0.000 0.624 119 A CB -0.873 18.204 19.000 0.128 0.000 0.822 119 A HN 0.297 nan 8.150 nan 0.000 0.444 120 Y N -1.330 119.050 120.300 0.135 0.000 2.561 120 Y HA -0.057 4.493 4.550 0.001 0.000 0.291 120 Y C 2.420 178.322 175.900 0.003 0.000 1.141 120 Y CA 0.938 59.108 58.100 0.118 0.000 1.303 120 Y CB -0.232 38.351 38.460 0.206 0.000 1.015 120 Y HN 0.443 nan 8.280 nan 0.000 0.547 121 H N 0.033 119.195 119.070 0.154 0.000 2.395 121 H HA -0.018 4.538 4.556 0.001 0.000 0.299 121 H C 2.030 177.344 175.328 -0.024 0.000 1.070 121 H CA 1.308 57.394 56.048 0.064 0.000 1.356 121 H CB 0.288 30.101 29.762 0.086 0.000 1.401 121 H HN 0.327 nan 8.280 nan 0.000 0.524 122 R N 0.144 120.709 120.500 0.109 0.000 2.081 122 R HA -0.076 4.264 4.340 0.001 0.000 0.235 122 R C 2.604 178.889 176.300 -0.025 0.000 1.131 122 R CA 0.909 57.028 56.100 0.032 0.000 0.960 122 R CB -0.238 30.079 30.300 0.029 0.000 0.856 122 R HN 0.235 nan 8.270 nan 0.000 0.436 123 L N -0.470 120.715 121.223 -0.063 0.000 2.083 123 L HA -0.206 4.134 4.340 0.001 0.000 0.209 123 L C 2.553 179.326 176.870 -0.162 0.000 1.083 123 L CA 1.385 56.183 54.840 -0.069 0.000 0.752 123 L CB -0.573 41.412 42.059 -0.122 0.000 0.899 123 L HN 0.285 nan 8.230 nan 0.000 0.433 124 H N 0.147 118.951 119.070 -0.444 0.000 2.389 124 H HA -0.166 4.391 4.556 0.001 0.000 0.299 124 H C 2.166 177.294 175.328 -0.334 0.000 1.081 124 H CA 1.762 57.418 56.048 -0.653 0.000 1.345 124 H CB 0.156 29.184 29.762 -1.223 0.000 1.393 124 H HN 0.287 nan 8.280 nan 0.000 0.520 125 E N -0.049 119.989 120.200 -0.270 0.000 2.051 125 E HA -0.124 4.227 4.350 0.001 0.000 0.192 125 E C 1.753 178.233 176.600 -0.199 0.000 0.991 125 E CA 1.263 57.531 56.400 -0.219 0.000 0.799 125 E CB -0.043 29.612 29.700 -0.076 0.000 0.748 125 E HN 0.518 nan 8.360 nan 0.000 0.449 126 L N -0.640 120.500 121.223 -0.137 0.000 2.610 126 L HA 0.140 4.480 4.340 0.001 0.000 0.232 126 L C 1.355 178.051 176.870 -0.290 0.000 1.149 126 L CA 0.446 55.218 54.840 -0.113 0.000 0.872 126 L CB 0.106 42.204 42.059 0.064 0.000 0.992 126 L HN 0.389 nan 8.230 nan 0.000 0.447 127 G N -0.537 108.064 108.800 -0.333 0.000 2.136 127 G HA2 -0.307 3.654 3.960 0.001 0.000 0.242 127 G HA3 -0.307 3.654 3.960 0.001 0.000 0.242 127 G C 0.411 175.029 174.900 -0.470 0.000 0.989 127 G CA 0.555 45.446 45.100 -0.348 0.000 0.682 127 G HN 0.538 nan 8.290 nan 0.000 0.522 128 H N -0.167 118.715 119.070 -0.313 0.000 2.557 128 H HA 0.597 5.154 4.556 0.001 0.000 0.281 128 H C 1.819 176.789 175.328 -0.596 0.000 0.990 128 H CA 0.879 56.746 56.048 -0.300 0.000 1.278 128 H CB 0.503 30.164 29.762 -0.169 0.000 1.451 128 H HN 0.675 nan 8.280 nan 0.000 0.516 129 A N 1.497 124.002 122.820 -0.524 0.000 2.306 129 A HA 0.442 4.762 4.320 0.001 0.000 0.314 129 A C -0.745 176.445 177.584 -0.657 0.000 1.164 129 A CA -0.442 51.353 52.037 -0.404 0.000 0.822 129 A CB 0.464 19.358 19.000 -0.178 0.000 1.130 129 A HN 0.373 nan 8.150 nan 0.000 0.496 130 H N 0.470 119.708 119.070 0.280 0.000 2.928 130 H HA 0.649 5.205 4.556 0.001 0.000 0.371 130 H C -0.485 175.181 175.328 0.564 0.000 1.186 130 H CA -0.198 56.069 56.048 0.366 0.000 1.134 130 H CB 2.131 31.931 29.762 0.064 0.000 1.824 130 H HN 0.818 nan 8.280 nan 0.000 0.554 131 S N 0.889 116.935 115.700 0.577 0.000 2.634 131 S HA 0.745 5.215 4.470 0.001 0.000 0.296 131 S C -0.808 173.921 174.600 0.214 0.000 1.104 131 S CA -0.778 57.602 58.200 0.299 0.000 0.920 131 S CB 1.690 64.934 63.200 0.074 0.000 1.111 131 S HN 0.360 nan 8.310 nan 0.000 0.493 132 I N 1.383 121.997 120.570 0.073 0.000 2.497 132 I HA 0.433 4.603 4.170 0.001 0.000 0.284 132 I C -1.092 174.991 176.117 -0.056 0.000 1.060 132 I CA -0.310 61.005 61.300 0.025 0.000 1.071 132 I CB 1.799 39.759 38.000 -0.067 0.000 1.216 132 I HN 0.637 nan 8.210 nan 0.000 0.442 133 E N 4.710 124.871 120.200 -0.066 0.000 2.191 133 E HA 0.642 4.992 4.350 0.001 0.000 0.278 133 E C -0.915 175.407 176.600 -0.464 0.000 0.972 133 E CA -0.676 55.525 56.400 -0.332 0.000 0.804 133 E CB 2.028 31.472 29.700 -0.427 0.000 1.110 133 E HN 0.235 nan 8.360 nan 0.000 0.394 134 V N 3.379 122.914 119.914 -0.632 0.000 2.357 134 V HA 0.371 4.491 4.120 0.001 0.000 0.284 134 V C -1.055 174.711 176.094 -0.547 0.000 1.018 134 V CA -0.816 61.197 62.300 -0.477 0.000 0.841 134 V CB 0.099 31.620 31.823 -0.505 0.000 0.991 134 V HN 0.599 nan 8.190 nan 0.000 0.437 135 W N 4.175 125.458 121.300 -0.027 0.000 2.551 135 W HA 0.789 5.450 4.660 0.001 0.000 0.330 135 W C 0.134 176.750 176.519 0.162 0.000 1.063 135 W CA -0.811 56.557 57.345 0.039 0.000 1.222 135 W CB 1.198 30.684 29.460 0.044 0.000 1.349 135 W HN 0.339 nan 8.180 nan 0.000 0.536 136 R N 2.721 123.461 120.500 0.400 0.000 2.388 136 R HA 0.294 4.635 4.340 0.001 0.000 0.314 136 R C 0.410 176.880 176.300 0.282 0.000 0.959 136 R CA -0.527 55.817 56.100 0.406 0.000 0.851 136 R CB 0.014 30.563 30.300 0.416 0.000 1.168 136 R HN 0.805 nan 8.270 nan 0.000 0.472 137 E N 1.759 122.089 120.200 0.217 0.000 3.229 137 E HA -0.323 4.027 4.350 0.001 0.000 0.354 137 E C -0.397 176.298 176.600 0.159 0.000 1.487 137 E CA 1.887 58.373 56.400 0.144 0.000 1.617 137 E CB -0.772 28.998 29.700 0.116 0.000 1.768 137 E HN 0.841 nan 8.360 nan 0.000 0.497 138 D N 1.354 121.839 120.400 0.142 0.000 2.342 138 D HA 0.076 4.716 4.640 0.001 0.000 0.221 138 D C -0.019 176.434 176.300 0.254 0.000 1.101 138 D CA 0.385 54.468 54.000 0.138 0.000 0.837 138 D CB 0.172 41.020 40.800 0.081 0.000 0.938 138 D HN 0.128 nan 8.370 nan 0.000 0.508 139 E N 0.618 121.004 120.200 0.311 0.000 2.195 139 E HA 0.268 4.619 4.350 0.001 0.000 0.271 139 E C -0.766 176.035 176.600 0.336 0.000 0.923 139 E CA -1.122 55.465 56.400 0.311 0.000 0.790 139 E CB 2.743 32.555 29.700 0.186 0.000 1.155 139 E HN 0.089 nan 8.360 nan 0.000 0.402 140 L N 4.555 125.894 121.223 0.193 0.000 2.342 140 L HA 0.061 4.402 4.340 0.001 0.000 0.285 140 L C 0.541 177.353 176.870 -0.096 0.000 1.095 140 L CA 0.168 54.882 54.840 -0.211 0.000 0.843 140 L CB 0.418 42.299 42.059 -0.296 0.000 1.201 140 L HN 0.388 nan 8.230 nan 0.000 0.445 141 V N 2.287 122.066 119.914 -0.226 0.000 3.578 141 V HA 0.819 4.939 4.120 0.001 0.000 0.290 141 V C 0.660 176.418 176.094 -0.560 0.000 1.376 141 V CA 0.478 62.634 62.300 -0.240 0.000 1.083 141 V CB -0.601 31.116 31.823 -0.175 0.000 0.911 141 V HN 0.879 nan 8.190 nan 0.000 0.433 142 G N -1.807 106.478 108.800 -0.859 0.000 2.320 142 G HA2 0.673 4.633 3.960 0.001 0.000 0.296 142 G HA3 0.673 4.633 3.960 0.001 0.000 0.296 142 G C -0.495 173.766 174.900 -1.064 0.000 1.306 142 G CA 0.285 44.529 45.100 -1.426 0.000 0.836 142 G HN 1.410 nan 8.290 nan 0.000 0.517 143 G N -1.393 106.908 108.800 -0.831 0.000 2.341 143 G HA2 0.696 4.656 3.960 0.001 0.000 0.293 143 G HA3 0.696 4.656 3.960 0.001 0.000 0.293 143 G C -0.839 173.981 174.900 -0.134 0.000 1.298 143 G CA 0.437 45.340 45.100 -0.329 0.000 0.868 143 G HN 2.045 nan 8.290 nan 0.000 0.540 144 M N -1.206 118.357 119.600 -0.061 0.000 2.682 144 M HA 0.865 5.346 4.480 0.001 0.000 0.272 144 M C -1.257 175.058 176.300 0.026 0.000 1.232 144 M CA -1.136 54.136 55.300 -0.047 0.000 0.849 144 M CB 2.400 34.908 32.600 -0.154 0.000 1.695 144 M HN 1.658 nan 8.290 nan 0.000 0.481 145 Y N -1.122 119.115 120.300 -0.105 0.000 2.609 145 Y HA 1.000 5.551 4.550 0.001 0.000 0.336 145 Y C -0.795 175.130 175.900 0.042 0.000 1.129 145 Y CA -0.275 57.803 58.100 -0.037 0.000 1.040 145 Y CB 1.400 39.641 38.460 -0.364 0.000 1.310 145 Y HN 1.160 nan 8.280 nan 0.000 0.460 146 G N 0.260 109.169 108.800 0.182 0.000 2.561 146 G HA2 0.524 4.485 3.960 0.001 0.000 0.310 146 G HA3 0.524 4.485 3.960 0.001 0.000 0.310 146 G C -2.359 172.346 174.900 -0.325 0.000 1.292 146 G CA -0.777 44.097 45.100 -0.375 0.000 0.811 146 G HN 0.767 nan 8.290 nan 0.000 0.482 147 V N 0.950 120.455 119.914 -0.682 0.000 2.417 147 V HA 0.682 4.803 4.120 0.001 0.000 0.291 147 V C 0.726 176.544 176.094 -0.461 0.000 1.024 147 V CA -0.387 61.608 62.300 -0.508 0.000 0.861 147 V CB 0.966 32.288 31.823 -0.835 0.000 0.985 147 V HN 1.246 nan 8.190 nan 0.000 0.436 148 A N 4.011 126.782 122.820 -0.082 0.000 2.388 148 A HA 0.649 4.969 4.320 0.001 0.000 0.257 148 A C 0.009 177.697 177.584 0.173 0.000 1.095 148 A CA -0.120 52.038 52.037 0.203 0.000 0.791 148 A CB 0.590 19.714 19.000 0.207 0.000 1.029 148 A HN 0.796 nan 8.150 nan 0.000 0.489 149 Q N 1.035 120.997 119.800 0.271 0.000 3.662 149 Q HA 0.463 4.803 4.340 0.001 0.000 0.237 149 Q C 0.458 176.619 176.000 0.269 0.000 0.895 149 Q CA 0.992 56.931 55.803 0.226 0.000 0.767 149 Q CB 0.538 29.386 28.738 0.183 0.000 1.469 149 Q HN 2.011 nan 8.270 nan 0.000 0.424 150 G N 0.414 109.387 108.800 0.288 0.000 2.561 150 G HA2 -0.435 3.526 3.960 0.001 0.000 0.289 150 G HA3 -0.435 3.526 3.960 0.001 0.000 0.289 150 G C 0.802 175.874 174.900 0.287 0.000 1.169 150 G CA 0.700 45.951 45.100 0.250 0.000 0.980 150 G HN 0.856 nan 8.290 nan 0.000 0.550 151 T N -0.890 113.783 114.554 0.199 0.000 3.148 151 T HA 0.481 4.832 4.350 0.001 0.000 0.253 151 T C 0.815 175.717 174.700 0.338 0.000 1.134 151 T CA 1.395 63.580 62.100 0.142 0.000 1.051 151 T CB 0.220 69.094 68.868 0.010 0.000 0.959 151 T HN 1.178 nan 8.240 nan 0.000 0.525 152 L N 1.021 122.474 121.223 0.382 0.000 2.309 152 L HA 0.727 5.068 4.340 0.001 0.000 0.282 152 L C -1.290 175.894 176.870 0.523 0.000 1.036 152 L CA -1.595 53.499 54.840 0.423 0.000 0.806 152 L CB 1.293 43.511 42.059 0.265 0.000 1.220 152 L HN 0.188 nan 8.230 nan 0.000 0.429 153 F N 4.895 125.033 119.950 0.314 0.000 2.449 153 F HA 0.453 4.981 4.527 0.001 0.000 0.342 153 F C -0.561 175.291 175.800 0.086 0.000 1.127 153 F CA -0.724 57.387 58.000 0.185 0.000 0.975 153 F CB 0.959 39.992 39.000 0.055 0.000 1.146 153 F HN 0.479 nan 8.300 nan 0.000 0.444 154 C N 5.241 124.265 119.300 -0.459 0.000 2.256 154 C HA 0.571 5.031 4.460 0.001 0.000 0.333 154 C C 1.042 175.695 174.990 -0.562 0.000 1.183 154 C CA -0.877 57.960 59.018 -0.302 0.000 1.692 154 C CB -0.680 27.032 27.740 -0.046 0.000 2.274 154 C HN 1.014 nan 8.230 nan 0.000 0.509 155 G N 2.671 111.270 108.800 -0.337 0.000 2.378 155 G HA2 0.284 4.245 3.960 0.001 0.000 0.255 155 G HA3 0.284 4.245 3.960 0.001 0.000 0.255 155 G C 0.602 175.282 174.900 -0.366 0.000 1.270 155 G CA 0.032 44.949 45.100 -0.306 0.000 0.876 155 G HN 0.757 nan 8.290 nan 0.000 0.521 156 E N 0.228 120.131 120.200 -0.494 0.000 2.175 156 E HA 0.141 4.492 4.350 0.001 0.000 0.195 156 E C 0.869 177.246 176.600 -0.373 0.000 0.934 156 E CA 0.590 56.706 56.400 -0.474 0.000 0.870 156 E CB 0.847 30.152 29.700 -0.657 0.000 0.838 156 E HN 0.429 nan 8.360 nan 0.000 0.474 157 S N -0.874 114.494 115.700 -0.553 0.000 2.627 157 S HA 0.568 5.039 4.470 0.001 0.000 0.268 157 S C -1.658 172.817 174.600 -0.208 0.000 1.130 157 S CA -0.695 57.360 58.200 -0.243 0.000 0.819 157 S CB 0.695 63.883 63.200 -0.020 0.000 1.100 157 S HN 0.150 nan 8.310 nan 0.000 0.465 158 M N 1.961 121.537 119.600 -0.040 0.000 2.569 158 M HA 0.858 5.338 4.480 0.001 0.000 0.279 158 M C -1.340 175.042 176.300 0.136 0.000 1.253 158 M CA -0.879 54.433 55.300 0.019 0.000 0.867 158 M CB 1.850 34.406 32.600 -0.075 0.000 1.727 158 M HN 0.682 nan 8.290 nan 0.000 0.467 159 F N -0.644 119.250 119.950 -0.094 0.000 2.675 159 F HA 0.959 5.487 4.527 0.001 0.000 0.324 159 F C -1.137 174.599 175.800 -0.106 0.000 1.106 159 F CA -0.781 57.164 58.000 -0.091 0.000 0.970 159 F CB 1.809 40.741 39.000 -0.114 0.000 1.385 159 F HN 0.879 nan 8.300 nan 0.000 0.489 160 S N 0.473 116.004 115.700 -0.282 0.000 2.563 160 S HA 0.480 4.950 4.470 0.001 0.000 0.279 160 S C -0.741 173.759 174.600 -0.168 0.000 1.155 160 S CA -0.796 57.167 58.200 -0.395 0.000 0.928 160 S CB 1.528 64.580 63.200 -0.246 0.000 1.107 160 S HN 0.809 nan 8.310 nan 0.000 0.462 161 R N 2.656 123.040 120.500 -0.193 0.000 2.509 161 R HA 0.380 4.721 4.340 0.001 0.000 0.297 161 R C -0.224 176.050 176.300 -0.043 0.000 0.951 161 R CA 0.077 56.146 56.100 -0.052 0.000 1.103 161 R CB 0.426 30.738 30.300 0.020 0.000 1.283 161 R HN 0.721 nan 8.270 nan 0.000 0.534 162 M N 0.682 120.233 119.600 -0.081 0.000 2.365 162 M HA 0.211 4.691 4.480 0.001 0.000 0.287 162 M C -1.238 175.074 176.300 0.021 0.000 1.154 162 M CA -0.685 54.627 55.300 0.021 0.000 0.941 162 M CB 2.642 35.319 32.600 0.128 0.000 1.704 162 M HN -0.188 nan 8.290 nan 0.000 0.479 163 E N 3.094 123.319 120.200 0.042 0.000 2.829 163 E HA -0.108 4.242 4.350 0.001 0.000 0.264 163 E C -0.093 176.473 176.600 -0.055 0.000 0.922 163 E CA 1.647 58.027 56.400 -0.034 0.000 0.960 163 E CB 0.088 29.758 29.700 -0.050 0.000 0.918 163 E HN 0.682 nan 8.360 nan 0.000 0.497 164 N N 1.445 120.047 118.700 -0.164 0.000 2.753 164 N HA -0.307 4.433 4.740 0.001 0.000 0.251 164 N C 0.481 175.960 175.510 -0.051 0.000 1.097 164 N CA 1.014 53.954 53.050 -0.184 0.000 0.786 164 N CB -1.529 36.623 38.487 -0.558 0.000 1.137 164 N HN 0.480 nan 8.380 nan 0.000 0.566 165 A N 0.608 123.322 122.820 -0.177 0.000 1.841 165 A HA -0.096 4.225 4.320 0.001 0.000 0.214 165 A C 2.224 179.604 177.584 -0.338 0.000 1.195 165 A CA 2.353 54.120 52.037 -0.450 0.000 0.611 165 A CB -0.825 17.838 19.000 -0.562 0.000 0.835 165 A HN 0.620 nan 8.150 nan 0.000 0.443 166 S N -0.260 115.275 115.700 -0.276 0.000 2.447 166 S HA -0.118 4.352 4.470 0.001 0.000 0.233 166 S C 1.786 176.309 174.600 -0.129 0.000 1.006 166 S CA 1.414 59.484 58.200 -0.216 0.000 0.957 166 S CB -0.329 62.781 63.200 -0.150 0.000 0.773 166 S HN 0.561 nan 8.310 nan 0.000 0.507 167 K N 0.531 120.881 120.400 -0.084 0.000 2.062 167 K HA -0.009 4.312 4.320 0.001 0.000 0.205 167 K C 2.328 178.872 176.600 -0.094 0.000 1.051 167 K CA 1.580 57.831 56.287 -0.061 0.000 0.941 167 K CB -0.664 31.814 32.500 -0.036 0.000 0.719 167 K HN 0.372 nan 8.250 nan 0.000 0.440 168 T N 1.444 115.951 114.554 -0.079 0.000 2.720 168 T HA -0.188 4.162 4.350 0.001 0.000 0.268 168 T C 1.989 176.609 174.700 -0.133 0.000 1.037 168 T CA 1.526 63.571 62.100 -0.092 0.000 1.144 168 T CB -0.280 68.650 68.868 0.103 0.000 0.864 168 T HN 0.341 nan 8.240 nan 0.000 0.444 169 A N 1.043 123.785 122.820 -0.130 0.000 1.883 169 A HA -0.058 4.262 4.320 0.001 0.000 0.217 169 A C 2.237 179.792 177.584 -0.049 0.000 1.186 169 A CA 1.423 53.394 52.037 -0.109 0.000 0.624 169 A CB -0.840 18.056 19.000 -0.174 0.000 0.822 169 A HN 0.403 nan 8.150 nan 0.000 0.444 170 L N -0.706 120.478 121.223 -0.064 0.000 2.093 170 L HA -0.020 4.321 4.340 0.001 0.000 0.208 170 L C 2.318 179.201 176.870 0.022 0.000 1.085 170 L CA 1.665 56.505 54.840 0.001 0.000 0.755 170 L CB -0.470 41.560 42.059 -0.048 0.000 0.904 170 L HN 0.490 nan 8.230 nan 0.000 0.435 171 L N -1.720 119.458 121.223 -0.075 0.000 2.017 171 L HA -0.209 4.131 4.340 0.001 0.000 0.208 171 L C 2.296 179.095 176.870 -0.119 0.000 1.073 171 L CA 1.457 56.215 54.840 -0.137 0.000 0.745 171 L CB -0.201 41.681 42.059 -0.295 0.000 0.894 171 L HN 0.074 nan 8.230 nan 0.000 0.432 172 V N -0.442 119.399 119.914 -0.123 0.000 2.358 172 V HA -0.299 3.822 4.120 0.001 0.000 0.246 172 V C 2.212 178.340 176.094 0.057 0.000 1.047 172 V CA 1.933 64.212 62.300 -0.035 0.000 1.035 172 V CB -0.719 31.102 31.823 -0.002 0.000 0.658 172 V HN 0.507 nan 8.190 nan 0.000 0.452 173 F N 0.717 120.634 119.950 -0.055 0.000 2.069 173 F HA -0.254 4.273 4.527 0.001 0.000 0.298 173 F C 2.477 178.295 175.800 0.030 0.000 1.113 173 F CA 1.861 59.835 58.000 -0.043 0.000 1.214 173 F CB -0.879 38.045 39.000 -0.127 0.000 0.978 173 F HN 0.145 nan 8.300 nan 0.000 0.474 174 C N 0.703 119.948 119.300 -0.093 0.000 2.413 174 C HA -0.194 4.266 4.460 0.001 0.000 0.276 174 C C 2.720 177.674 174.990 -0.060 0.000 1.248 174 C CA 1.443 60.403 59.018 -0.096 0.000 1.742 174 C CB -1.247 26.509 27.740 0.028 0.000 2.017 174 C HN 0.552 nan 8.230 nan 0.000 0.481 175 E N 0.364 120.543 120.200 -0.034 0.000 2.038 175 E HA -0.259 4.091 4.350 0.001 0.000 0.195 175 E C 2.079 178.688 176.600 0.014 0.000 1.000 175 E CA 1.516 57.916 56.400 0.001 0.000 0.803 175 E CB -0.227 29.488 29.700 0.024 0.000 0.750 175 E HN 0.586 nan 8.360 nan 0.000 0.448 176 E N 0.423 120.629 120.200 0.009 0.000 2.051 176 E HA -0.196 4.155 4.350 0.001 0.000 0.192 176 E C 1.705 178.365 176.600 0.099 0.000 0.991 176 E CA 0.934 57.382 56.400 0.080 0.000 0.799 176 E CB -0.283 29.439 29.700 0.037 0.000 0.748 176 E HN 0.166 nan 8.360 nan 0.000 0.449 177 F N 0.355 120.093 119.950 -0.353 0.000 2.069 177 F HA -0.168 4.359 4.527 0.001 0.000 0.298 177 F C 1.791 177.413 175.800 -0.295 0.000 1.113 177 F CA 1.340 59.035 58.000 -0.507 0.000 1.214 177 F CB -0.493 37.968 39.000 -0.900 0.000 0.978 177 F HN 0.070 nan 8.300 nan 0.000 0.474 178 I N 0.833 121.320 120.570 -0.138 0.000 2.163 178 I HA -0.203 3.967 4.170 0.001 0.000 0.243 178 I C 2.928 178.944 176.117 -0.167 0.000 1.085 178 I CA 1.671 62.867 61.300 -0.174 0.000 1.347 178 I CB -1.724 36.243 38.000 -0.056 0.000 1.044 178 I HN 0.232 nan 8.210 nan 0.000 0.408 179 G N -0.651 108.110 108.800 -0.065 0.000 2.507 179 G HA2 -0.288 3.672 3.960 0.001 0.000 0.221 179 G HA3 -0.288 3.672 3.960 0.001 0.000 0.221 179 G C 1.109 175.880 174.900 -0.214 0.000 1.119 179 G CA 1.215 46.277 45.100 -0.064 0.000 0.751 179 G HN 0.507 nan 8.290 nan 0.000 0.574 180 H N -0.995 117.915 119.070 -0.268 0.000 2.487 180 H HA 0.427 4.983 4.556 0.001 0.000 0.290 180 H C 1.615 176.688 175.328 -0.425 0.000 1.081 180 H CA -0.128 55.724 56.048 -0.327 0.000 1.116 180 H CB 0.332 29.860 29.762 -0.389 0.000 1.560 180 H HN 0.366 nan 8.280 nan 0.000 0.548 181 G N -0.085 108.510 108.800 -0.342 0.000 2.141 181 G HA2 -0.227 3.733 3.960 0.001 0.000 0.231 181 G HA3 -0.227 3.733 3.960 0.001 0.000 0.231 181 G C 0.798 175.375 174.900 -0.538 0.000 0.984 181 G CA -0.128 44.762 45.100 -0.350 0.000 0.660 181 G HN 0.741 nan 8.290 nan 0.000 0.525 182 G N -0.398 107.789 108.800 -1.021 0.000 2.340 182 G HA2 0.463 4.423 3.960 0.001 0.000 0.245 182 G HA3 0.463 4.423 3.960 0.001 0.000 0.245 182 G C 0.683 175.044 174.900 -0.898 0.000 1.294 182 G CA 0.574 44.519 45.100 -1.925 0.000 0.896 182 G HN 0.272 nan 8.290 nan 0.000 0.522 183 K N 0.597 120.795 120.400 -0.336 0.000 2.287 183 K HA 0.403 4.724 4.320 0.001 0.000 0.199 183 K C 0.559 177.256 176.600 0.160 0.000 1.061 183 K CA 0.244 56.528 56.287 -0.006 0.000 0.976 183 K CB 0.238 32.755 32.500 0.028 0.000 0.898 183 K HN 0.420 nan 8.250 nan 0.000 0.492 184 L N 0.294 121.666 121.223 0.248 0.000 2.518 184 L HA 0.491 4.831 4.340 0.001 0.000 0.257 184 L C -1.622 175.382 176.870 0.224 0.000 0.980 184 L CA -0.846 54.026 54.840 0.053 0.000 0.837 184 L CB 1.992 43.867 42.059 -0.307 0.000 1.410 184 L HN -0.098 nan 8.230 nan 0.000 0.410 185 I N 2.160 122.764 120.570 0.057 0.000 2.411 185 I HA 0.216 4.386 4.170 0.001 0.000 0.284 185 I C -0.803 175.302 176.117 -0.019 0.000 1.012 185 I CA -0.490 60.867 61.300 0.096 0.000 1.119 185 I CB 1.734 39.793 38.000 0.098 0.000 1.261 185 I HN 0.477 nan 8.210 nan 0.000 0.448 186 D N 4.750 125.156 120.400 0.009 0.000 2.390 186 D HA 0.120 4.761 4.640 0.001 0.000 0.249 186 D C 0.238 176.444 176.300 -0.157 0.000 1.144 186 D CA 0.057 54.007 54.000 -0.084 0.000 0.880 186 D CB 1.113 41.909 40.800 -0.007 0.000 1.182 186 D HN 0.540 nan 8.370 nan 0.000 0.451 187 C N 2.873 122.045 119.300 -0.212 0.000 3.336 187 C HA 0.183 4.644 4.460 0.001 0.000 0.291 187 C C 1.458 176.274 174.990 -0.291 0.000 1.363 187 C CA -0.122 58.761 59.018 -0.225 0.000 1.737 187 C CB -1.584 26.048 27.740 -0.181 0.000 2.274 187 C HN 0.866 nan 8.230 nan 0.000 0.663 188 Q N -0.487 119.119 119.800 -0.323 0.000 1.907 188 Q HA -0.286 4.054 4.340 0.001 0.000 0.186 188 Q C 0.168 176.032 176.000 -0.226 0.000 2.907 188 Q CA 2.085 57.690 55.803 -0.330 0.000 0.280 188 Q CB -1.363 26.981 28.738 -0.656 0.000 0.444 188 Q HN 0.438 nan 8.270 nan 0.000 0.393 189 V N 0.834 120.592 119.914 -0.260 0.000 2.769 189 V HA 0.475 4.596 4.120 0.001 0.000 0.312 189 V C -0.467 175.519 176.094 -0.182 0.000 1.061 189 V CA -0.827 61.347 62.300 -0.210 0.000 0.931 189 V CB 1.890 33.554 31.823 -0.265 0.000 1.010 189 V HN 0.355 nan 8.190 nan 0.000 0.433 190 L N 4.825 125.966 121.223 -0.137 0.000 2.290 190 L HA 0.491 4.831 4.340 0.001 0.000 0.284 190 L C -0.261 176.550 176.870 -0.099 0.000 1.078 190 L CA 0.389 55.166 54.840 -0.106 0.000 0.815 190 L CB 0.589 42.604 42.059 -0.074 0.000 1.162 190 L HN 1.099 nan 8.230 nan 0.000 0.435 191 N N 2.181 120.830 118.700 -0.085 0.000 2.701 191 N HA 0.317 5.057 4.740 0.001 0.000 0.290 191 N C 0.230 175.722 175.510 -0.030 0.000 1.338 191 N CA -0.697 52.316 53.050 -0.062 0.000 0.799 191 N CB 0.640 39.090 38.487 -0.061 0.000 1.491 191 N HN 0.365 nan 8.380 nan 0.000 0.540 192 D N -1.101 119.294 120.400 -0.010 0.000 2.097 192 D HA -0.201 4.440 4.640 0.001 0.000 0.195 192 D C 1.196 177.531 176.300 0.057 0.000 0.989 192 D CA 1.507 55.511 54.000 0.007 0.000 0.827 192 D CB -0.366 40.432 40.800 -0.003 0.000 0.966 192 D HN 0.677 nan 8.370 nan 0.000 0.456 193 H N -0.109 118.928 119.070 -0.055 0.000 2.326 193 H HA -0.100 4.456 4.556 0.001 0.000 0.301 193 H C 2.087 177.383 175.328 -0.053 0.000 1.081 193 H CA 1.542 57.558 56.048 -0.053 0.000 1.334 193 H CB 0.277 30.006 29.762 -0.055 0.000 1.385 193 H HN -0.033 nan 8.280 nan 0.000 0.504 194 T N -0.280 114.239 114.554 -0.059 0.000 2.759 194 T HA -0.177 4.173 4.350 0.001 0.000 0.269 194 T C 1.993 176.645 174.700 -0.080 0.000 1.042 194 T CA 1.283 63.300 62.100 -0.138 0.000 1.140 194 T CB -0.450 68.343 68.868 -0.125 0.000 0.864 194 T HN 0.524 nan 8.240 nan 0.000 0.455 195 A N 0.848 123.643 122.820 -0.042 0.000 1.929 195 A HA 0.003 4.324 4.320 0.001 0.000 0.216 195 A C 2.591 180.158 177.584 -0.027 0.000 1.176 195 A CA 2.001 54.020 52.037 -0.030 0.000 0.628 195 A CB -0.824 18.160 19.000 -0.027 0.000 0.816 195 A HN 0.686 nan 8.150 nan 0.000 0.444 196 S N 0.195 115.889 115.700 -0.011 0.000 2.399 196 S HA -0.065 4.405 4.470 0.001 0.000 0.231 196 S C 1.695 176.290 174.600 -0.008 0.000 1.022 196 S CA 1.386 59.574 58.200 -0.020 0.000 0.983 196 S CB -0.656 62.569 63.200 0.041 0.000 0.803 196 S HN 0.441 nan 8.310 nan 0.000 0.480 197 L N 0.818 122.042 121.223 0.001 0.000 2.395 197 L HA 0.245 4.586 4.340 0.001 0.000 0.218 197 L C 2.027 178.933 176.870 0.060 0.000 1.130 197 L CA 0.643 55.494 54.840 0.018 0.000 0.826 197 L CB -0.555 41.452 42.059 -0.086 0.000 0.941 197 L HN 0.662 nan 8.230 nan 0.000 0.451 198 G N -0.899 107.922 108.800 0.036 0.000 2.205 198 G HA2 -0.150 3.810 3.960 0.001 0.000 0.180 198 G HA3 -0.150 3.810 3.960 0.001 0.000 0.180 198 G C 0.353 175.290 174.900 0.061 0.000 1.004 198 G CA -0.216 44.925 45.100 0.069 0.000 0.670 198 G HN 0.418 nan 8.290 nan 0.000 0.496 199 A N -0.488 122.340 122.820 0.014 0.000 2.448 199 A HA 0.713 5.034 4.320 0.001 0.000 0.239 199 A C 1.102 178.699 177.584 0.021 0.000 1.080 199 A CA 0.907 52.943 52.037 -0.002 0.000 0.779 199 A CB 0.108 19.075 19.000 -0.056 0.000 1.026 199 A HN 2.122 nan 8.150 nan 0.000 0.499 200 C N -0.629 118.690 119.300 0.031 0.000 3.340 200 C HA 0.840 5.301 4.460 0.001 0.000 0.333 200 C C -0.779 174.235 174.990 0.041 0.000 1.464 200 C CA -0.867 58.185 59.018 0.057 0.000 1.337 200 C CB 0.647 28.465 27.740 0.131 0.000 1.740 200 C HN 0.879 nan 8.230 nan 0.000 0.450 201 E N 1.388 121.622 120.200 0.057 0.000 2.183 201 E HA 0.707 5.058 4.350 0.001 0.000 0.271 201 E C -0.586 176.075 176.600 0.102 0.000 0.919 201 E CA -0.465 55.964 56.400 0.049 0.000 0.781 201 E CB 1.888 31.601 29.700 0.022 0.000 1.140 201 E HN 0.701 nan 8.360 nan 0.000 0.402 202 I N -0.852 119.787 120.570 0.115 0.000 2.828 202 I HA 0.565 4.735 4.170 0.001 0.000 0.302 202 I C -2.961 173.232 176.117 0.126 0.000 1.101 202 I CA -3.169 58.233 61.300 0.169 0.000 1.031 202 I CB 1.087 39.265 38.000 0.297 0.000 1.231 202 I HN 0.185 nan 8.210 nan 0.000 0.427 203 P HA 0.184 nan 4.420 nan 0.000 0.267 203 P C 0.758 178.124 177.300 0.110 0.000 1.200 203 P CA -0.046 63.103 63.100 0.082 0.000 0.772 203 P CB 0.663 32.398 31.700 0.058 0.000 0.855 204 R N 3.701 124.260 120.500 0.099 0.000 2.096 204 R HA -0.224 4.116 4.340 0.001 0.000 0.240 204 R C 2.080 178.461 176.300 0.134 0.000 1.139 204 R CA 2.097 58.282 56.100 0.143 0.000 0.952 204 R CB -0.264 30.095 30.300 0.098 0.000 0.854 204 R HN 0.472 nan 8.270 nan 0.000 0.436 205 R N -0.382 120.155 120.500 0.062 0.000 2.189 205 R HA -0.076 4.264 4.340 0.001 0.000 0.223 205 R C 1.120 177.401 176.300 -0.031 0.000 1.092 205 R CA 1.739 57.849 56.100 0.016 0.000 0.989 205 R CB -0.205 30.096 30.300 0.002 0.000 0.876 205 R HN 0.182 nan 8.270 nan 0.000 0.457 206 D N 0.265 120.651 120.400 -0.022 0.000 2.137 206 D HA -0.138 4.502 4.640 0.001 0.000 0.202 206 D C 1.552 177.726 176.300 -0.210 0.000 0.970 206 D CA 0.962 54.870 54.000 -0.153 0.000 0.837 206 D CB -0.339 40.424 40.800 -0.062 0.000 0.981 206 D HN 0.253 nan 8.370 nan 0.000 0.475 207 Y N 1.553 121.832 120.300 -0.035 0.000 2.181 207 Y HA -0.115 4.436 4.550 0.001 0.000 0.288 207 Y C 2.021 177.971 175.900 0.084 0.000 1.146 207 Y CA 1.256 59.420 58.100 0.107 0.000 1.164 207 Y CB -0.528 37.999 38.460 0.111 0.000 0.982 207 Y HN -0.092 nan 8.280 nan 0.000 0.515 208 L N 0.278 121.396 121.223 -0.176 0.000 2.079 208 L HA -0.272 4.069 4.340 0.001 0.000 0.210 208 L C 2.139 178.898 176.870 -0.185 0.000 1.081 208 L CA 1.440 56.141 54.840 -0.231 0.000 0.752 208 L CB -0.650 41.369 42.059 -0.067 0.000 0.896 208 L HN 0.293 nan 8.230 nan 0.000 0.433 209 N N -0.692 117.910 118.700 -0.163 0.000 2.188 209 N HA -0.166 4.575 4.740 0.001 0.000 0.184 209 N C 1.845 177.332 175.510 -0.039 0.000 1.018 209 N CA 1.256 54.233 53.050 -0.121 0.000 0.858 209 N CB -0.270 38.120 38.487 -0.162 0.000 0.989 209 N HN 0.429 nan 8.380 nan 0.000 0.426 210 Y N 1.344 121.618 120.300 -0.043 0.000 2.114 210 Y HA -0.105 4.445 4.550 0.001 0.000 0.284 210 Y C 2.577 178.434 175.900 -0.072 0.000 1.143 210 Y CA 0.313 58.408 58.100 -0.008 0.000 1.135 210 Y CB -0.260 38.218 38.460 0.031 0.000 0.980 210 Y HN -0.002 nan 8.280 nan 0.000 0.499 211 L N 0.495 121.681 121.223 -0.063 0.000 1.990 211 L HA -0.359 3.982 4.340 0.001 0.000 0.213 211 L C 1.733 178.597 176.870 -0.010 0.000 1.072 211 L CA 2.050 56.819 54.840 -0.119 0.000 0.755 211 L CB -0.552 41.295 42.059 -0.352 0.000 0.889 211 L HN 0.396 nan 8.230 nan 0.000 0.432 212 N N -1.404 117.283 118.700 -0.021 0.000 2.289 212 N HA -0.256 4.484 4.740 0.001 0.000 0.184 212 N C 1.766 177.304 175.510 0.047 0.000 1.016 212 N CA 0.878 53.936 53.050 0.014 0.000 0.872 212 N CB 0.052 38.540 38.487 0.001 0.000 0.973 212 N HN 0.322 nan 8.380 nan 0.000 0.433 213 Q N 0.597 120.438 119.800 0.070 0.000 2.061 213 Q HA 0.139 4.479 4.340 0.001 0.000 0.195 213 Q C 1.874 177.932 176.000 0.097 0.000 0.967 213 Q CA 1.176 57.035 55.803 0.092 0.000 0.829 213 Q CB 0.121 28.939 28.738 0.134 0.000 0.900 213 Q HN 0.319 nan 8.270 nan 0.000 0.450 214 M N -0.583 119.085 119.600 0.114 0.000 2.374 214 M HA -0.065 4.416 4.480 0.001 0.000 0.264 214 M C 1.928 178.299 176.300 0.119 0.000 1.067 214 M CA 1.075 56.444 55.300 0.114 0.000 1.103 214 M CB -0.166 32.511 32.600 0.127 0.000 1.402 214 M HN 0.093 nan 8.290 nan 0.000 0.444 215 R N 0.753 121.318 120.500 0.109 0.000 2.120 215 R HA -0.045 4.295 4.340 0.001 0.000 0.234 215 R C 2.067 178.434 176.300 0.111 0.000 1.123 215 R CA 1.126 57.297 56.100 0.118 0.000 0.975 215 R CB -0.228 30.130 30.300 0.098 0.000 0.866 215 R HN 0.405 nan 8.270 nan 0.000 0.446 216 L N -0.430 120.847 121.223 0.091 0.000 2.095 216 L HA 0.046 4.386 4.340 0.001 0.000 0.204 216 L C 1.588 178.505 176.870 0.079 0.000 1.080 216 L CA 0.425 55.313 54.840 0.080 0.000 0.759 216 L CB -0.824 41.274 42.059 0.065 0.000 0.914 216 L HN 0.181 nan 8.230 nan 0.000 0.439 217 G N 0.480 109.326 108.800 0.076 0.000 2.690 217 G HA2 0.211 4.171 3.960 0.001 0.000 0.239 217 G HA3 0.211 4.171 3.960 0.001 0.000 0.239 217 G C -0.188 174.756 174.900 0.074 0.000 1.233 217 G CA -0.189 44.948 45.100 0.061 0.000 0.847 217 G HN 0.192 nan 8.290 nan 0.000 0.588 218 R N -0.643 119.889 120.500 0.054 0.000 2.808 218 R HA 0.513 4.854 4.340 0.001 0.000 0.272 218 R C -0.573 175.743 176.300 0.026 0.000 0.995 218 R CA -0.843 55.300 56.100 0.073 0.000 0.917 218 R CB 1.862 32.211 30.300 0.082 0.000 1.217 218 R HN 0.381 nan 8.270 nan 0.000 0.471 219 L N 1.942 123.193 121.223 0.046 0.000 2.331 219 L HA 0.552 4.893 4.340 0.001 0.000 0.268 219 L C -1.871 175.015 176.870 0.027 0.000 1.015 219 L CA -2.203 52.602 54.840 -0.059 0.000 0.807 219 L CB 1.386 43.334 42.059 -0.184 0.000 1.293 219 L HN 0.406 nan 8.230 nan 0.000 0.451 220 P HA -0.034 nan 4.420 nan 0.000 0.261 220 P C -0.109 177.274 177.300 0.138 0.000 1.183 220 P CA 0.254 63.415 63.100 0.103 0.000 0.761 220 P CB 0.490 32.296 31.700 0.177 0.000 0.785 221 N N 3.802 122.577 118.700 0.125 0.000 2.165 221 N HA -0.269 4.472 4.740 0.001 0.000 0.198 221 N C 0.896 176.504 175.510 0.163 0.000 0.999 221 N CA 2.147 55.281 53.050 0.140 0.000 0.893 221 N CB -0.275 38.274 38.487 0.103 0.000 1.025 221 N HN 0.526 nan 8.380 nan 0.000 0.456 222 N N -0.827 117.954 118.700 0.134 0.000 2.328 222 N HA -0.011 4.729 4.740 0.001 0.000 0.247 222 N C 0.642 176.186 175.510 0.058 0.000 1.165 222 N CA -0.380 52.739 53.050 0.114 0.000 0.873 222 N CB -0.955 37.578 38.487 0.077 0.000 1.125 222 N HN 0.217 nan 8.380 nan 0.000 0.513 223 F N 0.453 120.317 119.950 -0.144 0.000 2.161 223 F HA 0.029 4.556 4.527 0.001 0.000 0.300 223 F C 0.436 175.937 175.800 -0.498 0.000 1.089 223 F CA 1.144 58.876 58.000 -0.445 0.000 1.282 223 F CB 0.013 38.604 39.000 -0.682 0.000 1.010 223 F HN 0.124 nan 8.300 nan 0.000 0.485 224 W N 0.941 122.158 121.300 -0.140 0.000 3.388 224 W HA 0.305 4.965 4.660 0.000 0.000 0.324 224 W C 0.324 176.819 176.519 -0.039 0.000 1.250 224 W CA -0.089 57.138 57.345 -0.197 0.000 1.809 224 W CB -1.012 28.335 29.460 -0.188 0.000 1.083 224 W HN -0.187 nan 8.180 nan 0.000 0.685 225 V N -0.279 119.692 119.914 0.096 0.000 2.655 225 V HA 0.258 4.378 4.120 0.001 0.000 0.300 225 V C -2.049 174.118 176.094 0.121 0.000 1.044 225 V CA -2.767 59.600 62.300 0.112 0.000 1.095 225 V CB 0.051 31.913 31.823 0.065 0.000 0.952 225 V HN -0.194 nan 8.190 nan 0.000 0.485 226 P HA 0.189 nan 4.420 nan 0.000 0.260 226 P C -0.258 177.176 177.300 0.224 0.000 1.185 226 P CA 0.469 63.697 63.100 0.214 0.000 0.763 226 P CB 0.192 31.957 31.700 0.109 0.000 0.776 227 R N 2.345 123.053 120.500 0.347 0.000 2.752 227 R HA 0.459 4.800 4.340 0.001 0.000 0.277 227 R C -1.709 174.732 176.300 0.235 0.000 1.024 227 R CA -0.793 55.485 56.100 0.297 0.000 0.866 227 R CB 0.063 30.434 30.300 0.117 0.000 1.278 227 R HN 0.394 nan 8.270 nan 0.000 0.473 228 C N 1.725 121.103 119.300 0.131 0.000 2.369 228 C HA 0.519 4.980 4.460 0.001 0.000 0.358 228 C C 1.526 176.551 174.990 0.058 0.000 1.274 228 C CA -0.644 58.393 59.018 0.032 0.000 1.935 228 C CB -0.647 27.102 27.740 0.015 0.000 2.431 228 C HN 0.700 nan 8.230 nan 0.000 0.545 229 L N 3.996 125.274 121.223 0.091 0.000 2.515 229 L HA 0.416 4.756 4.340 0.001 0.000 0.223 229 L C -0.049 176.966 176.870 0.241 0.000 1.079 229 L CA 0.304 55.222 54.840 0.130 0.000 0.857 229 L CB -0.085 42.051 42.059 0.128 0.000 1.050 229 L HN 0.629 nan 8.230 nan 0.000 0.476 230 F N 0.681 120.666 119.950 0.058 0.000 2.639 230 F HA 0.420 4.948 4.527 0.001 0.000 0.320 230 F C -0.966 174.872 175.800 0.063 0.000 1.128 230 F CA -0.939 57.106 58.000 0.075 0.000 1.037 230 F CB 1.474 40.556 39.000 0.137 0.000 1.288 230 F HN -0.141 nan 8.300 nan 0.000 0.463 231 S N 6.775 122.061 115.700 -0.689 0.000 2.538 231 S HA 0.842 5.313 4.470 0.001 0.000 0.288 231 S C -2.964 171.213 174.600 -0.706 0.000 1.108 231 S CA -1.225 56.698 58.200 -0.461 0.000 0.971 231 S CB 2.204 65.266 63.200 -0.229 0.000 1.041 231 S HN 0.591 nan 8.310 nan 0.000 0.483 232 P HA 0.000 nan 4.420 nan 0.000 0.216 232 P CA 0.000 62.968 63.100 -0.219 0.000 0.800 232 P CB 0.000 31.678 31.700 -0.037 0.000 0.726