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 3gh3_1_A DATA FIRST_RESID 36 DATA SEQUENCE YSGLNRWHGA GSTADFQKII QERcDTYTQT IRPGSRSRNc QAIRQAFMSA DATA SEQUENCE FISKDPcKAT KEDYNSLINL APPTVPcGQQ VFWSKTKELA HEYAKRRRLM DATA SEQUENCE TLEDTLLGYL ADGLRWcGEP GSSDLNIWSc PDWRKDcRTN YLSVFWEVLS DATA SEQUENCE ERFAESAcNT VRVVLNGSLE NAFDSMSIFG RVEAPNLRPQ VELEAWLVHD DATA SEQUENCE TGKPPSDScS GSSIRKLKSI LDGRNVKFRc MDNLSRDQFL Q 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 36 Y HA 0.000 nan 4.550 nan 0.000 0.201 36 Y C 0.000 175.766 175.900 -0.223 0.000 1.272 36 Y CA 0.000 57.981 58.100 -0.198 0.000 1.940 36 Y CB 0.000 38.333 38.460 -0.212 0.000 1.050 37 S N 0.008 115.570 115.700 -0.230 0.000 2.632 37 S HA 0.926 5.395 4.470 -0.001 0.000 0.289 37 S C 0.747 175.166 174.600 -0.301 0.000 1.115 37 S CA -0.211 57.841 58.200 -0.247 0.000 0.889 37 S CB 1.651 64.740 63.200 -0.185 0.000 1.116 37 S HN 2.557 nan 8.310 nan 0.000 0.486 38 G N 0.957 109.584 108.800 -0.288 0.000 2.594 38 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.297 38 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.297 38 G C 0.593 175.290 174.900 -0.338 0.000 1.273 38 G CA 0.324 45.249 45.100 -0.292 0.000 0.974 38 G HN 1.132 nan 8.290 nan 0.000 0.552 39 L N 0.314 121.325 121.223 -0.352 0.000 2.349 39 L HA -0.041 4.298 4.340 -0.001 0.000 0.220 39 L C 2.253 179.019 176.870 -0.173 0.000 1.130 39 L CA 1.648 56.346 54.840 -0.235 0.000 0.791 39 L CB -0.356 41.544 42.059 -0.266 0.000 0.918 39 L HN 0.518 nan 8.230 nan 0.000 0.444 40 N N 0.395 118.909 118.700 -0.311 0.000 2.276 40 N HA -0.036 4.704 4.740 -0.001 0.000 0.212 40 N C 1.673 177.060 175.510 -0.205 0.000 1.127 40 N CA -0.087 52.889 53.050 -0.124 0.000 0.834 40 N CB 0.169 38.580 38.487 -0.127 0.000 1.014 40 N HN 0.288 nan 8.380 nan 0.000 0.491 41 R N -1.316 118.937 120.500 -0.412 0.000 2.236 41 R HA 0.027 4.367 4.340 -0.001 0.000 0.208 41 R C -0.087 175.891 176.300 -0.536 0.000 1.036 41 R CA 0.131 55.903 56.100 -0.546 0.000 1.001 41 R CB -0.238 29.625 30.300 -0.729 0.000 0.896 41 R HN 0.137 nan 8.270 nan 0.000 0.464 42 W N 0.532 121.777 121.300 -0.092 0.000 2.183 42 W HA 0.241 4.901 4.660 -0.001 0.000 0.348 42 W C 1.424 177.840 176.519 -0.173 0.000 1.257 42 W CA -0.940 56.365 57.345 -0.068 0.000 1.324 42 W CB 0.395 29.872 29.460 0.027 0.000 1.144 42 W HN -0.031 nan 8.180 nan 0.000 0.622 43 H N 0.741 120.002 119.070 0.320 0.000 2.592 43 H HA 0.149 4.705 4.556 -0.001 0.000 0.265 43 H C 0.911 176.331 175.328 0.152 0.000 0.955 43 H CA 0.328 56.485 56.048 0.182 0.000 1.175 43 H CB 0.208 30.052 29.762 0.138 0.000 1.433 43 H HN 0.473 nan 8.280 nan 0.000 0.537 44 G N 0.336 109.287 108.800 0.251 0.000 2.488 44 G HA2 0.469 4.429 3.960 -0.001 0.000 0.318 44 G HA3 0.469 4.429 3.960 -0.001 0.000 0.318 44 G C -0.152 174.830 174.900 0.136 0.000 1.188 44 G CA -0.084 45.111 45.100 0.159 0.000 0.944 44 G HN 0.301 nan 8.290 nan 0.000 0.495 45 A N -0.540 122.337 122.820 0.095 0.000 2.507 45 A HA 0.543 4.862 4.320 -0.001 0.000 0.235 45 A C 1.204 178.840 177.584 0.086 0.000 1.070 45 A CA 0.607 52.693 52.037 0.082 0.000 0.768 45 A CB -0.215 18.819 19.000 0.056 0.000 1.011 45 A HN 1.376 nan 8.150 nan 0.000 0.502 46 G N 0.284 109.140 108.800 0.093 0.000 2.621 46 G HA2 0.438 4.397 3.960 -0.001 0.000 0.271 46 G HA3 0.438 4.397 3.960 -0.001 0.000 0.271 46 G C 0.286 175.223 174.900 0.061 0.000 1.236 46 G CA 0.006 45.168 45.100 0.104 0.000 0.958 46 G HN 0.902 nan 8.290 nan 0.000 0.512 47 S N -0.702 115.035 115.700 0.061 0.000 2.568 47 S HA 0.170 4.639 4.470 -0.001 0.000 0.282 47 S C 0.750 175.398 174.600 0.079 0.000 1.338 47 S CA -0.133 58.092 58.200 0.041 0.000 1.045 47 S CB 0.574 63.791 63.200 0.029 0.000 0.873 47 S HN 0.619 nan 8.310 nan 0.000 0.516 48 T N 3.462 118.097 114.554 0.135 0.000 2.800 48 T HA 0.157 4.506 4.350 -0.001 0.000 0.283 48 T C 0.610 175.401 174.700 0.151 0.000 0.999 48 T CA -0.012 62.186 62.100 0.164 0.000 1.176 48 T CB -0.097 68.929 68.868 0.265 0.000 0.973 48 T HN 0.745 nan 8.240 nan 0.000 0.519 49 A N 3.704 126.573 122.820 0.082 0.000 2.524 49 A HA 0.368 4.687 4.320 -0.001 0.000 0.250 49 A C 1.083 178.710 177.584 0.071 0.000 1.078 49 A CA -0.249 51.822 52.037 0.057 0.000 0.761 49 A CB -0.311 18.696 19.000 0.012 0.000 1.012 49 A HN 0.947 nan 8.150 nan 0.000 0.500 50 D N 0.396 120.844 120.400 0.079 0.000 3.103 50 D HA -0.231 4.409 4.640 -0.001 0.000 0.211 50 D C 0.243 176.583 176.300 0.066 0.000 1.100 50 D CA 1.355 55.388 54.000 0.055 0.000 0.961 50 D CB -1.912 38.897 40.800 0.014 0.000 1.093 50 D HN 0.622 nan 8.370 nan 0.000 0.427 51 F N 1.080 121.014 119.950 -0.025 0.000 2.085 51 F HA -0.299 4.227 4.527 -0.001 0.000 0.299 51 F C 2.258 177.991 175.800 -0.111 0.000 1.096 51 F CA 2.540 60.503 58.000 -0.062 0.000 1.227 51 F CB -0.229 38.755 39.000 -0.027 0.000 0.983 51 F HN 0.183 nan 8.300 nan 0.000 0.482 52 Q N -0.093 119.746 119.800 0.066 0.000 2.135 52 Q HA -0.257 4.082 4.340 -0.001 0.000 0.204 52 Q C 2.319 178.214 176.000 -0.176 0.000 0.981 52 Q CA 1.849 57.606 55.803 -0.077 0.000 0.856 52 Q CB -0.343 28.421 28.738 0.044 0.000 0.902 52 Q HN 0.472 nan 8.270 nan 0.000 0.425 53 K N 0.808 121.140 120.400 -0.115 0.000 2.155 53 K HA -0.077 4.243 4.320 -0.001 0.000 0.203 53 K C 1.942 178.451 176.600 -0.151 0.000 1.052 53 K CA 0.588 56.813 56.287 -0.103 0.000 0.948 53 K CB 0.074 32.540 32.500 -0.057 0.000 0.728 53 K HN 0.162 nan 8.250 nan 0.000 0.448 54 I N 1.778 122.220 120.570 -0.213 0.000 2.179 54 I HA -0.291 3.879 4.170 -0.001 0.000 0.242 54 I C 2.360 178.297 176.117 -0.300 0.000 1.088 54 I CA 1.203 62.363 61.300 -0.234 0.000 1.357 54 I CB -0.369 37.483 38.000 -0.248 0.000 1.051 54 I HN 0.249 nan 8.210 nan 0.000 0.409 55 I N -1.268 119.005 120.570 -0.495 0.000 2.439 55 I HA -0.243 3.927 4.170 -0.001 0.000 0.251 55 I C 2.472 178.452 176.117 -0.228 0.000 1.139 55 I CA 1.404 62.426 61.300 -0.464 0.000 1.438 55 I CB -0.528 37.002 38.000 -0.784 0.000 1.085 55 I HN 0.240 nan 8.210 nan 0.000 0.427 56 Q N 1.183 120.872 119.800 -0.185 0.000 2.123 56 Q HA -0.171 4.169 4.340 -0.001 0.000 0.199 56 Q C 2.139 178.112 176.000 -0.045 0.000 0.966 56 Q CA 1.417 57.167 55.803 -0.088 0.000 0.845 56 Q CB 0.047 28.744 28.738 -0.069 0.000 0.907 56 Q HN 0.616 nan 8.270 nan 0.000 0.439 57 E N 0.063 120.230 120.200 -0.056 0.000 2.038 57 E HA -0.223 4.127 4.350 -0.001 0.000 0.195 57 E C 2.088 178.708 176.600 0.034 0.000 1.000 57 E CA 1.102 57.492 56.400 -0.017 0.000 0.803 57 E CB -0.005 29.676 29.700 -0.032 0.000 0.750 57 E HN 0.263 nan 8.360 nan 0.000 0.448 58 R N 0.050 120.567 120.500 0.029 0.000 2.096 58 R HA -0.123 4.216 4.340 -0.001 0.000 0.235 58 R C 2.593 179.041 176.300 0.247 0.000 1.127 58 R CA 1.142 57.348 56.100 0.177 0.000 0.968 58 R CB -0.594 29.749 30.300 0.072 0.000 0.861 58 R HN 0.282 nan 8.270 nan 0.000 0.440 59 c N 1.202 119.871 118.600 0.115 0.000 2.429 59 c HA -0.110 4.459 4.570 -0.001 0.000 0.277 59 c C 1.957 176.115 174.090 0.113 0.000 1.262 59 c CA 0.968 57.362 56.329 0.108 0.000 1.733 59 c CB -0.741 41.798 42.510 0.047 0.000 2.010 59 c HN 0.452 nan 8.230 nan 0.000 0.483 60 D N 0.113 120.558 120.400 0.075 0.000 2.104 60 D HA -0.104 4.536 4.640 -0.001 0.000 0.194 60 D C 2.320 178.656 176.300 0.059 0.000 0.994 60 D CA 1.993 56.026 54.000 0.055 0.000 0.830 60 D CB -0.787 40.032 40.800 0.032 0.000 0.959 60 D HN 0.492 nan 8.370 nan 0.000 0.452 61 T N 0.084 114.691 114.554 0.089 0.000 2.652 61 T HA -0.205 4.144 4.350 -0.001 0.000 0.267 61 T C 1.825 176.526 174.700 0.002 0.000 1.039 61 T CA 1.072 63.217 62.100 0.075 0.000 1.153 61 T CB -0.580 68.386 68.868 0.163 0.000 0.863 61 T HN 0.190 nan 8.240 nan 0.000 0.428 62 Y N 2.127 122.341 120.300 -0.142 0.000 2.097 62 Y HA -0.235 4.315 4.550 -0.001 0.000 0.282 62 Y C 2.867 178.665 175.900 -0.170 0.000 1.152 62 Y CA 2.064 59.967 58.100 -0.328 0.000 1.136 62 Y CB -0.581 37.648 38.460 -0.385 0.000 0.975 62 Y HN 0.341 nan 8.280 nan 0.000 0.498 63 T N -2.505 112.106 114.554 0.095 0.000 3.023 63 T HA -0.071 4.278 4.350 -0.001 0.000 0.266 63 T C 1.465 176.146 174.700 -0.033 0.000 1.093 63 T CA 1.424 63.553 62.100 0.049 0.000 1.129 63 T CB -0.114 68.811 68.868 0.095 0.000 0.899 63 T HN 0.484 nan 8.240 nan 0.000 0.491 64 Q N 0.083 119.859 119.800 -0.040 0.000 2.387 64 Q HA 0.149 4.488 4.340 -0.001 0.000 0.212 64 Q C 2.117 178.075 176.000 -0.070 0.000 0.925 64 Q CA 1.071 56.849 55.803 -0.042 0.000 0.901 64 Q CB 0.471 29.198 28.738 -0.017 0.000 1.020 64 Q HN 0.475 nan 8.270 nan 0.000 0.545 65 T N 0.476 114.978 114.554 -0.088 0.000 3.045 65 T HA 0.186 4.536 4.350 -0.001 0.000 0.239 65 T C 1.867 176.481 174.700 -0.144 0.000 1.008 65 T CA 0.315 62.362 62.100 -0.089 0.000 1.143 65 T CB 0.232 69.067 68.868 -0.054 0.000 0.894 65 T HN 0.047 nan 8.240 nan 0.000 0.451 66 I N 0.413 120.840 120.570 -0.239 0.000 2.260 66 I HA 0.121 4.290 4.170 -0.001 0.000 0.237 66 I C 1.025 176.904 176.117 -0.397 0.000 1.075 66 I CA 0.919 62.022 61.300 -0.328 0.000 1.376 66 I CB 0.084 37.785 38.000 -0.499 0.000 1.107 66 I HN -0.077 nan 8.210 nan 0.000 0.420 67 R N 1.148 121.286 120.500 -0.603 0.000 2.674 67 R HA 0.269 4.609 4.340 -0.001 0.000 0.270 67 R C -2.501 173.605 176.300 -0.323 0.000 1.492 67 R CA -1.450 54.351 56.100 -0.498 0.000 1.624 67 R CB 0.464 30.350 30.300 -0.689 0.000 1.307 67 R HN 0.109 nan 8.270 nan 0.000 0.683 68 P HA -0.016 nan 4.420 nan 0.000 0.264 68 P C 0.194 177.458 177.300 -0.060 0.000 1.193 68 P CA 0.390 63.430 63.100 -0.100 0.000 0.763 68 P CB 1.179 32.833 31.700 -0.077 0.000 0.810 69 G N 1.308 110.096 108.800 -0.019 0.000 2.568 69 G HA2 0.327 4.287 3.960 -0.001 0.000 0.293 69 G HA3 0.327 4.287 3.960 -0.001 0.000 0.293 69 G C 1.126 176.028 174.900 0.003 0.000 1.347 69 G CA -0.055 45.047 45.100 0.003 0.000 1.039 69 G HN 0.455 nan 8.290 nan 0.000 0.523 70 S N -0.765 114.942 115.700 0.011 0.000 2.371 70 S HA -0.002 4.467 4.470 -0.001 0.000 0.224 70 S C 1.139 175.745 174.600 0.009 0.000 1.029 70 S CA 0.689 58.893 58.200 0.008 0.000 0.978 70 S CB -0.237 62.969 63.200 0.011 0.000 0.833 70 S HN 0.767 nan 8.310 nan 0.000 0.466 71 R N 1.694 122.203 120.500 0.015 0.000 2.832 71 R HA 0.598 4.938 4.340 -0.001 0.000 0.271 71 R C -0.635 175.676 176.300 0.018 0.000 0.996 71 R CA -0.419 55.690 56.100 0.014 0.000 0.977 71 R CB 0.894 31.204 30.300 0.016 0.000 1.168 71 R HN 0.245 nan 8.270 nan 0.000 0.482 72 S N 1.140 116.849 115.700 0.015 0.000 2.576 72 S HA 0.316 4.786 4.470 -0.001 0.000 0.276 72 S C -0.050 174.565 174.600 0.024 0.000 1.339 72 S CA -0.706 57.505 58.200 0.018 0.000 1.039 72 S CB 0.880 64.088 63.200 0.013 0.000 0.902 72 S HN 0.570 nan 8.310 nan 0.000 0.516 73 R N 1.096 121.615 120.500 0.031 0.000 2.664 73 R HA 0.382 4.721 4.340 -0.001 0.000 0.286 73 R C -0.777 175.541 176.300 0.031 0.000 0.967 73 R CA -0.676 55.445 56.100 0.035 0.000 0.933 73 R CB 1.093 31.423 30.300 0.049 0.000 1.146 73 R HN 0.784 nan 8.270 nan 0.000 0.468 74 N N 0.898 119.614 118.700 0.027 0.000 2.420 74 N HA 0.091 4.831 4.740 -0.001 0.000 0.249 74 N C 0.298 175.824 175.510 0.026 0.000 1.033 74 N CA -0.309 52.755 53.050 0.023 0.000 0.944 74 N CB 0.708 39.206 38.487 0.019 0.000 1.113 74 N HN 0.522 nan 8.380 nan 0.000 0.502 75 c N 2.078 120.694 118.600 0.026 0.000 2.432 75 c HA -0.065 4.504 4.570 -0.001 0.000 0.280 75 c C 2.483 176.584 174.090 0.019 0.000 1.353 75 c CA 0.433 56.778 56.329 0.027 0.000 1.766 75 c CB -0.950 41.576 42.510 0.026 0.000 1.924 75 c HN 0.807 nan 8.230 nan 0.000 0.509 76 Q N 0.832 120.640 119.800 0.013 0.000 2.061 76 Q HA -0.193 4.146 4.340 -0.001 0.000 0.204 76 Q C 2.328 178.337 176.000 0.016 0.000 0.984 76 Q CA 1.960 57.768 55.803 0.009 0.000 0.846 76 Q CB -0.204 28.538 28.738 0.006 0.000 0.902 76 Q HN 0.683 nan 8.270 nan 0.000 0.421 77 A N 0.334 123.167 122.820 0.020 0.000 1.930 77 A HA -0.123 4.197 4.320 -0.001 0.000 0.217 77 A C 1.935 179.542 177.584 0.038 0.000 1.175 77 A CA 0.994 53.046 52.037 0.024 0.000 0.627 77 A CB -0.493 18.520 19.000 0.022 0.000 0.815 77 A HN 0.447 nan 8.150 nan 0.000 0.443 78 I N -0.876 119.721 120.570 0.044 0.000 2.202 78 I HA -0.222 3.948 4.170 -0.001 0.000 0.242 78 I C 2.727 178.907 176.117 0.105 0.000 1.091 78 I CA 1.351 62.691 61.300 0.067 0.000 1.368 78 I CB -0.288 37.748 38.000 0.060 0.000 1.058 78 I HN 0.321 nan 8.210 nan 0.000 0.410 79 R N 1.207 121.749 120.500 0.071 0.000 2.081 79 R HA -0.205 4.135 4.340 -0.001 0.000 0.235 79 R C 2.086 178.436 176.300 0.083 0.000 1.131 79 R CA 1.798 57.936 56.100 0.063 0.000 0.960 79 R CB -0.355 29.939 30.300 -0.009 0.000 0.856 79 R HN 0.465 nan 8.270 nan 0.000 0.436 80 Q N -0.379 119.451 119.800 0.050 0.000 2.084 80 Q HA -0.087 4.253 4.340 -0.001 0.000 0.202 80 Q C 2.121 178.150 176.000 0.048 0.000 0.978 80 Q CA 1.869 57.691 55.803 0.031 0.000 0.844 80 Q CB -0.121 28.625 28.738 0.013 0.000 0.898 80 Q HN 0.457 nan 8.270 nan 0.000 0.426 81 A N 0.138 123.002 122.820 0.073 0.000 1.930 81 A HA -0.163 4.156 4.320 -0.001 0.000 0.217 81 A C 1.823 179.490 177.584 0.138 0.000 1.175 81 A CA 0.831 52.912 52.037 0.074 0.000 0.627 81 A CB -0.761 18.274 19.000 0.059 0.000 0.815 81 A HN 0.447 nan 8.150 nan 0.000 0.443 82 F N -0.201 119.776 119.950 0.046 0.000 2.075 82 F HA -0.244 4.282 4.527 -0.001 0.000 0.297 82 F C 2.500 178.350 175.800 0.084 0.000 1.113 82 F CA 1.505 59.566 58.000 0.102 0.000 1.218 82 F CB -0.037 38.984 39.000 0.035 0.000 0.984 82 F HN 0.112 nan 8.300 nan 0.000 0.472 83 M N -0.298 119.437 119.600 0.226 0.000 2.080 83 M HA -0.213 4.266 4.480 -0.001 0.000 0.260 83 M C 2.322 178.393 176.300 -0.381 0.000 1.068 83 M CA 1.484 56.669 55.300 -0.193 0.000 1.109 83 M CB -1.614 30.900 32.600 -0.144 0.000 1.342 83 M HN 0.018 nan 8.290 nan 0.000 0.405 84 S N 0.832 116.441 115.700 -0.152 0.000 2.419 84 S HA -0.053 4.416 4.470 -0.001 0.000 0.233 84 S C 2.052 176.553 174.600 -0.166 0.000 1.016 84 S CA 1.098 59.206 58.200 -0.153 0.000 0.974 84 S CB -0.391 62.769 63.200 -0.067 0.000 0.786 84 S HN 0.571 nan 8.310 nan 0.000 0.492 85 A N 1.016 123.777 122.820 -0.099 0.000 1.972 85 A HA -0.048 4.272 4.320 -0.001 0.000 0.219 85 A C 1.776 179.195 177.584 -0.275 0.000 1.169 85 A CA 1.679 53.635 52.037 -0.135 0.000 0.635 85 A CB -0.526 18.413 19.000 -0.103 0.000 0.810 85 A HN 0.738 nan 8.150 nan 0.000 0.446 86 F N -3.242 116.465 119.950 -0.406 0.000 2.834 86 F HA 0.494 5.021 4.527 -0.001 0.000 0.332 86 F C 0.112 175.671 175.800 -0.401 0.000 1.056 86 F CA -1.242 56.270 58.000 -0.815 0.000 1.178 86 F CB 0.213 38.719 39.000 -0.824 0.000 1.037 86 F HN -0.161 nan 8.300 nan 0.000 0.580 87 I N 2.128 122.222 120.570 -0.794 0.000 2.692 87 I HA 0.021 4.191 4.170 -0.001 0.000 0.284 87 I C 1.600 177.594 176.117 -0.205 0.000 1.159 87 I CA 0.681 61.676 61.300 -0.508 0.000 1.423 87 I CB 0.745 38.451 38.000 -0.491 0.000 1.380 87 I HN 0.524 nan 8.210 nan 0.000 0.580 88 S N 3.096 118.747 115.700 -0.082 0.000 3.476 88 S HA -0.181 4.288 4.470 -0.001 0.000 0.309 88 S C 0.189 174.801 174.600 0.020 0.000 1.222 88 S CA 1.207 59.398 58.200 -0.016 0.000 0.922 88 S CB -0.774 62.406 63.200 -0.034 0.000 1.023 88 S HN 0.729 nan 8.310 nan 0.000 0.591 89 K N 0.742 121.170 120.400 0.046 0.000 2.281 89 K HA 0.380 4.700 4.320 -0.001 0.000 0.242 89 K C -0.632 176.090 176.600 0.203 0.000 0.971 89 K CA -0.980 55.377 56.287 0.117 0.000 0.834 89 K CB 0.614 33.193 32.500 0.132 0.000 1.181 89 K HN 0.128 nan 8.250 nan 0.000 0.435 90 D N 3.032 123.557 120.400 0.207 0.000 2.451 90 D HA -0.006 4.633 4.640 -0.001 0.000 0.254 90 D C -1.503 174.952 176.300 0.258 0.000 1.204 90 D CA -1.530 52.602 54.000 0.220 0.000 0.896 90 D CB 0.910 41.809 40.800 0.164 0.000 1.136 90 D HN 0.177 nan 8.370 nan 0.000 0.499 91 P HA -0.009 nan 4.420 nan 0.000 0.237 91 P C 0.675 177.879 177.300 -0.159 0.000 1.178 91 P CA 0.227 63.392 63.100 0.109 0.000 0.766 91 P CB 0.217 31.873 31.700 -0.073 0.000 0.876 92 c N -0.527 117.996 118.600 -0.129 0.000 3.000 92 c HA 0.301 4.871 4.570 -0.001 0.000 0.286 92 c C 1.385 175.413 174.090 -0.103 0.000 1.343 92 c CA -0.013 56.210 56.329 -0.177 0.000 1.742 92 c CB -0.976 41.457 42.510 -0.127 0.000 2.200 92 c HN 0.172 nan 8.230 nan 0.000 0.621 93 K N 0.981 121.330 120.400 -0.085 0.000 2.646 93 K HA 0.328 4.648 4.320 -0.001 0.000 0.206 93 K C 0.425 176.923 176.600 -0.171 0.000 1.069 93 K CA -0.106 56.138 56.287 -0.071 0.000 1.067 93 K CB 0.741 33.252 32.500 0.018 0.000 0.807 93 K HN 0.318 nan 8.250 nan 0.000 0.482 94 A N 1.701 124.251 122.820 -0.450 0.000 2.511 94 A HA 0.202 4.522 4.320 -0.001 0.000 0.242 94 A C 0.512 177.924 177.584 -0.287 0.000 1.069 94 A CA 0.250 51.819 52.037 -0.781 0.000 0.763 94 A CB 0.009 18.171 19.000 -1.398 0.000 1.001 94 A HN 0.295 nan 8.150 nan 0.000 0.498 95 T N -0.696 113.777 114.554 -0.136 0.000 2.916 95 T HA 0.486 4.836 4.350 -0.001 0.000 0.292 95 T C 0.817 175.560 174.700 0.072 0.000 1.055 95 T CA -0.435 61.656 62.100 -0.015 0.000 1.009 95 T CB 1.555 70.428 68.868 0.009 0.000 1.118 95 T HN 0.706 nan 8.240 nan 0.000 0.497 96 K N 0.975 121.435 120.400 0.100 0.000 2.113 96 K HA -0.205 4.115 4.320 -0.001 0.000 0.208 96 K C 1.450 178.144 176.600 0.158 0.000 1.047 96 K CA 1.769 58.152 56.287 0.160 0.000 0.928 96 K CB -0.429 32.131 32.500 0.100 0.000 0.716 96 K HN 0.599 nan 8.250 nan 0.000 0.446 97 E N 1.563 121.820 120.200 0.095 0.000 2.219 97 E HA -0.178 4.172 4.350 -0.001 0.000 0.198 97 E C 1.547 178.190 176.600 0.071 0.000 0.998 97 E CA 1.487 57.932 56.400 0.075 0.000 0.818 97 E CB -0.267 29.463 29.700 0.050 0.000 0.741 97 E HN 0.336 nan 8.360 nan 0.000 0.477 98 D N -0.696 119.736 120.400 0.054 0.000 2.263 98 D HA -0.149 4.491 4.640 -0.001 0.000 0.208 98 D C 0.728 176.969 176.300 -0.099 0.000 0.971 98 D CA 0.955 54.943 54.000 -0.020 0.000 0.867 98 D CB -0.042 40.766 40.800 0.013 0.000 0.929 98 D HN 0.351 nan 8.370 nan 0.000 0.492 99 Y N 0.395 120.772 120.300 0.127 0.000 2.457 99 Y HA 0.127 4.676 4.550 -0.001 0.000 0.263 99 Y C 1.656 177.568 175.900 0.020 0.000 1.164 99 Y CA -0.414 57.731 58.100 0.076 0.000 1.274 99 Y CB -0.065 38.440 38.460 0.076 0.000 1.097 99 Y HN -0.148 nan 8.280 nan 0.000 0.523 100 N N -0.107 118.675 118.700 0.137 0.000 2.061 100 N HA -0.191 4.548 4.740 -0.001 0.000 0.193 100 N C 1.953 177.501 175.510 0.063 0.000 1.030 100 N CA 1.930 55.030 53.050 0.083 0.000 0.856 100 N CB -0.439 38.082 38.487 0.058 0.000 1.023 100 N HN 0.158 nan 8.380 nan 0.000 0.424 101 S N 0.761 116.495 115.700 0.057 0.000 2.356 101 S HA -0.082 4.388 4.470 -0.001 0.000 0.223 101 S C 1.918 176.543 174.600 0.041 0.000 1.032 101 S CA 0.600 58.825 58.200 0.042 0.000 1.005 101 S CB -0.395 62.824 63.200 0.033 0.000 0.867 101 S HN 0.242 nan 8.310 nan 0.000 0.449 102 L N 1.983 123.241 121.223 0.058 0.000 2.012 102 L HA -0.020 4.319 4.340 -0.001 0.000 0.210 102 L C 1.943 178.814 176.870 0.002 0.000 1.073 102 L CA 1.672 56.529 54.840 0.030 0.000 0.748 102 L CB -0.522 41.555 42.059 0.031 0.000 0.891 102 L HN 0.305 nan 8.230 nan 0.000 0.431 103 I N -0.401 120.173 120.570 0.007 0.000 2.315 103 I HA -0.253 3.917 4.170 -0.001 0.000 0.248 103 I C 1.887 178.003 176.117 -0.002 0.000 1.117 103 I CA 0.935 62.220 61.300 -0.026 0.000 1.404 103 I CB -0.615 37.360 38.000 -0.042 0.000 1.071 103 I HN 0.366 nan 8.210 nan 0.000 0.419 104 N N 1.061 119.769 118.700 0.014 0.000 2.289 104 N HA -0.104 4.635 4.740 -0.001 0.000 0.184 104 N C 1.919 177.440 175.510 0.018 0.000 1.016 104 N CA 1.070 54.131 53.050 0.018 0.000 0.872 104 N CB -0.250 38.250 38.487 0.022 0.000 0.973 104 N HN 0.358 nan 8.380 nan 0.000 0.433 105 L N -0.288 120.945 121.223 0.016 0.000 2.156 105 L HA 0.020 4.360 4.340 -0.001 0.000 0.208 105 L C 0.476 177.356 176.870 0.017 0.000 1.095 105 L CA 0.632 55.483 54.840 0.018 0.000 0.770 105 L CB -0.025 42.047 42.059 0.021 0.000 0.914 105 L HN 0.045 nan 8.230 nan 0.000 0.439 106 A N -0.353 122.472 122.820 0.008 0.000 3.156 106 A HA 0.474 4.793 4.320 -0.001 0.000 0.311 106 A C -2.601 174.985 177.584 0.004 0.000 1.129 106 A CA -0.924 51.118 52.037 0.009 0.000 0.809 106 A CB 0.035 19.033 19.000 -0.004 0.000 1.257 106 A HN -0.129 nan 8.150 nan 0.000 0.491 107 P HA 0.218 nan 4.420 nan 0.000 0.268 107 P C -2.402 174.932 177.300 0.056 0.000 1.204 107 P CA -0.946 62.171 63.100 0.028 0.000 0.768 107 P CB 0.333 32.055 31.700 0.037 0.000 0.842 108 P HA 0.052 nan 4.420 nan 0.000 0.226 108 P C -0.666 176.771 177.300 0.227 0.000 1.783 108 P CA 0.095 63.289 63.100 0.157 0.000 0.980 108 P CB -0.473 31.334 31.700 0.178 0.000 1.967 109 T N 0.608 115.252 114.554 0.151 0.000 2.856 109 T HA 0.360 4.710 4.350 -0.001 0.000 0.292 109 T C 0.309 175.086 174.700 0.128 0.000 0.980 109 T CA -0.185 61.986 62.100 0.118 0.000 1.091 109 T CB 1.249 70.164 68.868 0.078 0.000 0.936 109 T HN -0.061 nan 8.240 nan 0.000 0.503 110 V N 5.091 125.059 119.914 0.089 0.000 2.823 110 V HA 0.424 4.543 4.120 -0.001 0.000 0.312 110 V C -2.216 173.903 176.094 0.041 0.000 1.072 110 V CA -2.167 60.183 62.300 0.083 0.000 0.937 110 V CB 1.823 33.694 31.823 0.079 0.000 1.013 110 V HN 0.694 nan 8.190 nan 0.000 0.430 111 P HA 0.151 nan 4.420 nan 0.000 0.269 111 P C -0.390 176.925 177.300 0.024 0.000 1.215 111 P CA -0.346 62.772 63.100 0.030 0.000 0.780 111 P CB 0.207 31.924 31.700 0.029 0.000 0.898 112 c N 1.650 120.264 118.600 0.023 0.000 2.634 112 c HA 0.343 4.913 4.570 -0.001 0.000 0.417 112 c C 1.897 176.008 174.090 0.035 0.000 1.334 112 c CA 1.588 57.933 56.329 0.026 0.000 1.829 112 c CB -1.091 41.435 42.510 0.026 0.000 2.665 112 c HN 1.015 nan 8.230 nan 0.000 0.614 113 G N 2.526 111.354 108.800 0.048 0.000 2.162 113 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.260 113 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.260 113 G C 0.365 175.306 174.900 0.069 0.000 0.976 113 G CA 0.732 45.871 45.100 0.064 0.000 0.655 113 G HN 0.852 nan 8.290 nan 0.000 0.533 114 Q N -0.867 118.967 119.800 0.058 0.000 2.164 114 Q HA 0.240 4.579 4.340 -0.001 0.000 0.226 114 Q C 0.818 176.863 176.000 0.073 0.000 0.813 114 Q CA -0.165 55.673 55.803 0.058 0.000 0.978 114 Q CB 0.833 29.596 28.738 0.042 0.000 1.149 114 Q HN 0.644 nan 8.270 nan 0.000 0.489 115 Q N 1.013 120.846 119.800 0.055 0.000 2.261 115 Q HA 0.355 4.695 4.340 -0.001 0.000 0.252 115 Q C -1.095 174.961 176.000 0.093 0.000 0.915 115 Q CA -0.146 55.657 55.803 0.000 0.000 0.915 115 Q CB 1.585 30.171 28.738 -0.253 0.000 1.204 115 Q HN -0.034 nan 8.270 nan 0.000 0.421 116 V N 4.621 124.606 119.914 0.120 0.000 2.444 116 V HA 0.405 4.524 4.120 -0.001 0.000 0.294 116 V C -0.784 175.402 176.094 0.154 0.000 1.022 116 V CA -0.590 61.847 62.300 0.228 0.000 0.850 116 V CB 0.797 32.791 31.823 0.287 0.000 0.992 116 V HN 0.606 nan 8.190 nan 0.000 0.426 117 F N 4.360 124.510 119.950 0.333 0.000 2.408 117 F HA 0.778 5.305 4.527 -0.001 0.000 0.325 117 F C 0.189 176.070 175.800 0.134 0.000 1.082 117 F CA -0.228 57.910 58.000 0.230 0.000 1.032 117 F CB 1.433 40.521 39.000 0.146 0.000 1.259 117 F HN 0.623 nan 8.300 nan 0.000 0.503 118 W N -0.220 121.106 121.300 0.043 0.000 3.153 118 W HA 0.602 5.262 4.660 -0.001 0.000 0.316 118 W C -2.010 174.454 176.519 -0.090 0.000 1.255 118 W CA -1.269 56.024 57.345 -0.086 0.000 1.192 118 W CB 1.270 30.676 29.460 -0.090 0.000 1.400 118 W HN 0.518 nan 8.180 nan 0.000 0.568 119 S N 2.378 118.171 115.700 0.154 0.000 2.652 119 S HA 0.330 4.799 4.470 -0.001 0.000 0.273 119 S C 0.020 174.731 174.600 0.185 0.000 1.172 119 S CA -0.421 57.792 58.200 0.023 0.000 1.009 119 S CB 0.588 63.750 63.200 -0.063 0.000 1.094 119 S HN 0.519 nan 8.310 nan 0.000 0.471 120 K N 1.589 122.145 120.400 0.259 0.000 3.209 120 K HA -0.126 4.193 4.320 -0.001 0.000 0.289 120 K C 0.436 177.136 176.600 0.168 0.000 1.191 120 K CA 1.665 58.064 56.287 0.186 0.000 0.851 120 K CB -2.857 29.690 32.500 0.078 0.000 1.242 120 K HN 1.040 nan 8.250 nan 0.000 0.480 121 T N -3.810 110.893 114.554 0.249 0.000 3.516 121 T HA 0.260 4.610 4.350 -0.001 0.000 0.300 121 T C 1.055 175.674 174.700 -0.135 0.000 0.995 121 T CA -0.207 61.931 62.100 0.063 0.000 0.982 121 T CB 1.025 69.922 68.868 0.048 0.000 1.199 121 T HN 0.185 nan 8.240 nan 0.000 0.481 122 K N 1.639 121.876 120.400 -0.272 0.000 2.034 122 K HA -0.262 4.058 4.320 -0.001 0.000 0.214 122 K C 1.688 178.087 176.600 -0.336 0.000 1.051 122 K CA 2.439 58.259 56.287 -0.778 0.000 0.931 122 K CB -0.022 32.161 32.500 -0.529 0.000 0.715 122 K HN 0.377 nan 8.250 nan 0.000 0.446 123 E N 0.812 120.911 120.200 -0.168 0.000 2.031 123 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 123 E C 1.868 178.438 176.600 -0.051 0.000 0.994 123 E CA 1.202 57.552 56.400 -0.083 0.000 0.800 123 E CB -0.380 29.285 29.700 -0.059 0.000 0.752 123 E HN 0.256 nan 8.360 nan 0.000 0.447 124 L N 0.639 121.830 121.223 -0.053 0.000 2.046 124 L HA -0.095 4.245 4.340 -0.001 0.000 0.208 124 L C 2.104 178.997 176.870 0.038 0.000 1.077 124 L CA 2.155 57.001 54.840 0.011 0.000 0.747 124 L CB -0.839 41.221 42.059 0.002 0.000 0.896 124 L HN 0.131 nan 8.230 nan 0.000 0.432 125 A N -1.477 121.279 122.820 -0.107 0.000 1.902 125 A HA -0.219 4.101 4.320 -0.001 0.000 0.217 125 A C 2.202 179.675 177.584 -0.185 0.000 1.181 125 A CA 1.683 53.635 52.037 -0.141 0.000 0.623 125 A CB -0.947 17.826 19.000 -0.379 0.000 0.818 125 A HN 0.693 nan 8.150 nan 0.000 0.443 126 H N -1.222 117.740 119.070 -0.179 0.000 2.428 126 H HA -0.073 4.482 4.556 -0.001 0.000 0.296 126 H C 2.138 177.444 175.328 -0.038 0.000 1.062 126 H CA 1.690 57.668 56.048 -0.118 0.000 1.350 126 H CB -0.026 29.622 29.762 -0.189 0.000 1.403 126 H HN 0.637 nan 8.280 nan 0.000 0.533 127 E N 1.015 121.261 120.200 0.076 0.000 2.051 127 E HA -0.194 4.155 4.350 -0.001 0.000 0.192 127 E C 2.176 178.792 176.600 0.026 0.000 0.991 127 E CA 0.980 57.406 56.400 0.042 0.000 0.799 127 E CB -0.519 29.201 29.700 0.035 0.000 0.748 127 E HN 0.403 nan 8.360 nan 0.000 0.449 128 Y N 0.471 120.723 120.300 -0.079 0.000 2.097 128 Y HA -0.245 4.304 4.550 -0.001 0.000 0.282 128 Y C 2.111 177.927 175.900 -0.140 0.000 1.152 128 Y CA 2.367 60.360 58.100 -0.178 0.000 1.136 128 Y CB -0.814 37.546 38.460 -0.165 0.000 0.975 128 Y HN 0.121 nan 8.280 nan 0.000 0.498 129 A N 0.293 123.082 122.820 -0.053 0.000 1.933 129 A HA -0.199 4.121 4.320 -0.001 0.000 0.218 129 A C 2.325 179.834 177.584 -0.125 0.000 1.175 129 A CA 1.855 53.822 52.037 -0.116 0.000 0.628 129 A CB -0.790 18.233 19.000 0.037 0.000 0.814 129 A HN 0.558 nan 8.150 nan 0.000 0.444 130 K N -0.326 120.036 120.400 -0.064 0.000 2.026 130 K HA -0.153 4.167 4.320 -0.001 0.000 0.208 130 K C 2.262 178.796 176.600 -0.110 0.000 1.048 130 K CA 1.425 57.680 56.287 -0.053 0.000 0.929 130 K CB -0.211 32.280 32.500 -0.015 0.000 0.713 130 K HN 0.430 nan 8.250 nan 0.000 0.439 131 R N -0.148 120.260 120.500 -0.154 0.000 2.096 131 R HA -0.036 4.304 4.340 -0.001 0.000 0.235 131 R C 1.897 178.062 176.300 -0.226 0.000 1.127 131 R CA 1.032 57.025 56.100 -0.178 0.000 0.968 131 R CB -0.045 30.139 30.300 -0.193 0.000 0.861 131 R HN 0.101 nan 8.270 nan 0.000 0.440 132 R N 0.403 120.703 120.500 -0.334 0.000 2.334 132 R HA 0.151 4.491 4.340 -0.001 0.000 0.216 132 R C 0.044 176.217 176.300 -0.212 0.000 0.905 132 R CA -0.083 55.815 56.100 -0.336 0.000 1.064 132 R CB 0.119 30.080 30.300 -0.565 0.000 1.046 132 R HN 0.101 nan 8.270 nan 0.000 0.508 133 R N 0.446 120.851 120.500 -0.158 0.000 3.332 133 R HA -0.148 4.191 4.340 -0.001 0.000 0.263 133 R C -0.343 175.916 176.300 -0.068 0.000 1.053 133 R CA 0.485 56.530 56.100 -0.092 0.000 0.705 133 R CB -2.705 27.549 30.300 -0.076 0.000 1.166 133 R HN 0.229 nan 8.270 nan 0.000 0.427 134 L N -0.356 120.824 121.223 -0.072 0.000 2.347 134 L HA 0.631 4.970 4.340 -0.001 0.000 0.268 134 L C 0.802 177.702 176.870 0.050 0.000 1.019 134 L CA -1.129 53.703 54.840 -0.013 0.000 0.806 134 L CB 0.942 42.983 42.059 -0.029 0.000 1.339 134 L HN -0.013 nan 8.230 nan 0.000 0.463 135 M N 0.645 120.311 119.600 0.110 0.000 2.197 135 M HA 0.320 4.799 4.480 -0.001 0.000 0.301 135 M C -0.363 176.086 176.300 0.248 0.000 0.987 135 M CA -0.570 54.836 55.300 0.176 0.000 0.921 135 M CB 2.052 34.774 32.600 0.203 0.000 1.569 135 M HN 0.676 nan 8.290 nan 0.000 0.431 136 T N -0.839 113.848 114.554 0.222 0.000 2.824 136 T HA 0.320 4.669 4.350 -0.001 0.000 0.277 136 T C 0.821 175.535 174.700 0.025 0.000 0.975 136 T CA -0.878 61.347 62.100 0.209 0.000 0.966 136 T CB 1.071 70.050 68.868 0.186 0.000 1.054 136 T HN 0.614 nan 8.240 nan 0.000 0.533 137 L N 0.504 121.499 121.223 -0.381 0.000 2.127 137 L HA 0.028 4.368 4.340 -0.001 0.000 0.211 137 L C 2.108 178.966 176.870 -0.020 0.000 1.089 137 L CA 1.848 56.259 54.840 -0.715 0.000 0.757 137 L CB -1.192 40.456 42.059 -0.685 0.000 0.899 137 L HN 0.752 nan 8.230 nan 0.000 0.434 138 E N -0.394 119.957 120.200 0.252 0.000 2.511 138 E HA -0.075 4.275 4.350 -0.001 0.000 0.196 138 E C 1.084 177.896 176.600 0.353 0.000 1.066 138 E CA 0.574 57.180 56.400 0.343 0.000 0.871 138 E CB -0.213 29.688 29.700 0.335 0.000 0.863 138 E HN 0.535 nan 8.360 nan 0.000 0.520 139 D N -0.123 120.460 120.400 0.304 0.000 2.369 139 D HA -0.006 4.634 4.640 -0.001 0.000 0.211 139 D C 0.503 177.013 176.300 0.351 0.000 1.077 139 D CA 0.341 54.549 54.000 0.346 0.000 0.842 139 D CB 0.299 41.259 40.800 0.266 0.000 0.947 139 D HN 0.206 nan 8.370 nan 0.000 0.509 140 T N -1.774 112.910 114.554 0.218 0.000 2.849 140 T HA 0.240 4.590 4.350 -0.001 0.000 0.284 140 T C 1.529 176.137 174.700 -0.153 0.000 1.004 140 T CA -0.720 61.459 62.100 0.133 0.000 1.021 140 T CB 1.827 70.748 68.868 0.090 0.000 1.013 140 T HN -0.094 nan 8.240 nan 0.000 0.527 141 L N 0.705 121.691 121.223 -0.395 0.000 1.989 141 L HA -0.029 4.310 4.340 -0.001 0.000 0.211 141 L C 2.553 179.235 176.870 -0.314 0.000 1.071 141 L CA 1.491 55.828 54.840 -0.840 0.000 0.749 141 L CB -0.506 41.283 42.059 -0.450 0.000 0.890 141 L HN 0.728 nan 8.230 nan 0.000 0.431 142 L N -0.827 120.332 121.223 -0.106 0.000 2.093 142 L HA -0.116 4.223 4.340 -0.001 0.000 0.208 142 L C 2.601 179.565 176.870 0.157 0.000 1.085 142 L CA 1.116 55.982 54.840 0.044 0.000 0.755 142 L CB -1.190 40.873 42.059 0.007 0.000 0.904 142 L HN 0.422 nan 8.230 nan 0.000 0.435 143 G N -1.049 107.828 108.800 0.129 0.000 2.422 143 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.218 143 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.218 143 G C 1.501 176.623 174.900 0.370 0.000 1.146 143 G CA 0.594 45.885 45.100 0.318 0.000 0.769 143 G HN 0.337 nan 8.290 nan 0.000 0.547 144 Y N 0.477 120.826 120.300 0.082 0.000 2.200 144 Y HA -0.010 4.540 4.550 -0.001 0.000 0.290 144 Y C 2.553 178.482 175.900 0.049 0.000 1.137 144 Y CA 0.849 58.992 58.100 0.071 0.000 1.163 144 Y CB -0.139 38.320 38.460 -0.002 0.000 0.988 144 Y HN 0.082 nan 8.280 nan 0.000 0.518 145 L N 0.305 121.623 121.223 0.158 0.000 2.013 145 L HA -0.241 4.098 4.340 -0.001 0.000 0.212 145 L C 2.505 179.339 176.870 -0.059 0.000 1.073 145 L CA 2.346 57.198 54.840 0.020 0.000 0.753 145 L CB -1.389 40.706 42.059 0.060 0.000 0.890 145 L HN 0.368 nan 8.230 nan 0.000 0.432 146 A N -2.110 120.762 122.820 0.087 0.000 2.195 146 A HA 0.003 4.323 4.320 -0.001 0.000 0.210 146 A C 0.719 178.606 177.584 0.504 0.000 1.165 146 A CA -0.094 52.031 52.037 0.146 0.000 0.806 146 A CB -0.475 18.454 19.000 -0.119 0.000 0.847 146 A HN 0.345 nan 8.150 nan 0.000 0.482 147 D N 0.168 120.834 120.400 0.443 0.000 2.520 147 D HA 0.297 4.937 4.640 -0.001 0.000 0.243 147 D C 1.390 177.812 176.300 0.203 0.000 1.160 147 D CA 1.763 55.983 54.000 0.365 0.000 0.877 147 D CB -0.020 40.861 40.800 0.135 0.000 1.150 147 D HN 0.591 nan 8.370 nan 0.000 0.494 148 G N 2.829 111.749 108.800 0.199 0.000 2.184 148 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.264 148 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.264 148 G C 0.435 175.443 174.900 0.179 0.000 0.975 148 G CA 0.532 45.703 45.100 0.118 0.000 0.642 148 G HN 0.518 nan 8.290 nan 0.000 0.536 149 L N -0.714 120.704 121.223 0.326 0.000 2.400 149 L HA 0.783 5.123 4.340 -0.001 0.000 0.264 149 L C 0.961 178.090 176.870 0.430 0.000 1.061 149 L CA -1.004 54.075 54.840 0.399 0.000 0.799 149 L CB 1.149 43.509 42.059 0.502 0.000 1.240 149 L HN 0.074 nan 8.230 nan 0.000 0.461 150 R N 0.447 121.160 120.500 0.354 0.000 2.686 150 R HA 0.574 4.913 4.340 -0.001 0.000 0.283 150 R C -1.850 174.504 176.300 0.091 0.000 0.978 150 R CA -0.638 55.516 56.100 0.089 0.000 0.897 150 R CB 2.420 32.724 30.300 0.007 0.000 1.192 150 R HN 0.692 nan 8.270 nan 0.000 0.457 151 W N 0.851 121.930 121.300 -0.368 0.000 3.363 151 W HA 0.626 5.285 4.660 -0.001 0.000 0.306 151 W C -1.393 174.820 176.519 -0.510 0.000 1.253 151 W CA -0.930 56.005 57.345 -0.683 0.000 1.195 151 W CB 0.481 29.047 29.460 -1.490 0.000 1.366 151 W HN 0.848 nan 8.180 nan 0.000 0.551 152 c N 1.217 119.710 118.600 -0.179 0.000 3.303 152 c HA 0.990 5.559 4.570 -0.001 0.000 0.340 152 c C 0.267 174.520 174.090 0.271 0.000 1.274 152 c CA 0.043 56.372 56.329 0.000 0.000 1.234 152 c CB 1.355 43.832 42.510 -0.055 0.000 1.532 152 c HN 1.573 nan 8.230 nan 0.000 0.483 153 G N 0.063 109.076 108.800 0.355 0.000 3.119 153 G HA2 0.791 4.750 3.960 -0.001 0.000 0.206 153 G HA3 0.791 4.750 3.960 -0.001 0.000 0.206 153 G C -1.342 173.702 174.900 0.241 0.000 1.313 153 G CA -0.309 44.962 45.100 0.285 0.000 1.010 153 G HN 1.228 nan 8.290 nan 0.000 0.578 154 E N -0.551 119.758 120.200 0.183 0.000 2.321 154 E HA 0.493 4.843 4.350 -0.001 0.000 0.281 154 E C -2.885 173.788 176.600 0.122 0.000 0.910 154 E CA -1.619 54.889 56.400 0.180 0.000 0.770 154 E CB 2.490 32.287 29.700 0.162 0.000 1.225 154 E HN 0.154 nan 8.360 nan 0.000 0.417 155 P HA 0.154 nan 4.420 nan 0.000 0.264 155 P C 0.416 177.750 177.300 0.057 0.000 1.183 155 P CA 1.398 64.549 63.100 0.085 0.000 0.763 155 P CB 0.676 32.430 31.700 0.090 0.000 0.807 156 G N 1.173 109.996 108.800 0.038 0.000 2.179 156 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.257 156 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.257 156 G C 0.180 175.095 174.900 0.024 0.000 1.010 156 G CA 0.385 45.501 45.100 0.025 0.000 0.736 156 G HN 0.820 nan 8.290 nan 0.000 0.513 157 S N -1.195 114.522 115.700 0.029 0.000 2.541 157 S HA 0.709 5.178 4.470 -0.001 0.000 0.280 157 S C 1.003 175.612 174.600 0.015 0.000 1.112 157 S CA 0.702 58.920 58.200 0.030 0.000 0.925 157 S CB 1.660 64.892 63.200 0.053 0.000 1.067 157 S HN 1.312 nan 8.310 nan 0.000 0.479 158 S N 1.937 117.642 115.700 0.008 0.000 2.556 158 S HA 0.276 4.746 4.470 -0.001 0.000 0.216 158 S C -0.188 174.408 174.600 -0.007 0.000 0.970 158 S CA -0.341 57.849 58.200 -0.016 0.000 0.912 158 S CB -0.245 62.945 63.200 -0.017 0.000 0.790 158 S HN 0.689 nan 8.310 nan 0.000 0.504 159 D N 1.525 121.944 120.400 0.031 0.000 2.193 159 D HA 0.436 5.076 4.640 -0.001 0.000 0.249 159 D C -0.314 176.041 176.300 0.091 0.000 1.034 159 D CA -0.527 53.508 54.000 0.058 0.000 0.902 159 D CB 1.417 42.266 40.800 0.082 0.000 1.182 159 D HN 0.132 nan 8.370 nan 0.000 0.436 160 L N 2.021 123.312 121.223 0.113 0.000 2.456 160 L HA 0.020 4.360 4.340 -0.001 0.000 0.272 160 L C 0.963 177.937 176.870 0.174 0.000 1.189 160 L CA -0.022 54.919 54.840 0.168 0.000 0.846 160 L CB 0.117 42.272 42.059 0.159 0.000 1.111 160 L HN 0.231 nan 8.230 nan 0.000 0.475 161 N N 3.031 121.854 118.700 0.205 0.000 2.402 161 N HA 0.066 4.806 4.740 -0.001 0.000 0.252 161 N C 0.413 176.050 175.510 0.211 0.000 1.118 161 N CA -0.314 52.887 53.050 0.252 0.000 0.945 161 N CB 0.671 39.336 38.487 0.296 0.000 1.147 161 N HN 0.499 nan 8.380 nan 0.000 0.495 162 I N 0.818 121.489 120.570 0.169 0.000 3.793 162 I HA 0.295 4.464 4.170 -0.001 0.000 0.315 162 I C 1.113 177.220 176.117 -0.016 0.000 1.275 162 I CA -0.334 60.988 61.300 0.037 0.000 1.214 162 I CB -0.443 37.523 38.000 -0.057 0.000 1.018 162 I HN 0.300 nan 8.210 nan 0.000 0.439 163 W N 1.980 123.325 121.300 0.075 0.000 2.452 163 W HA 0.214 4.873 4.660 -0.000 0.000 0.313 163 W C 1.319 177.887 176.519 0.082 0.000 1.176 163 W CA 1.873 59.255 57.345 0.063 0.000 1.350 163 W CB -0.440 29.049 29.460 0.047 0.000 1.148 163 W HN 0.316 nan 8.180 nan 0.000 0.498 164 S N -2.053 113.883 115.700 0.394 0.000 2.565 164 S HA 0.661 5.131 4.470 -0.001 0.000 0.269 164 S C -1.243 173.583 174.600 0.377 0.000 1.153 164 S CA -1.308 57.090 58.200 0.331 0.000 0.835 164 S CB 1.706 65.099 63.200 0.322 0.000 1.122 164 S HN -0.044 nan 8.310 nan 0.000 0.462 165 c N 1.576 120.322 118.600 0.243 0.000 2.898 165 c HA 0.736 5.306 4.570 -0.001 0.000 0.304 165 c C -2.744 171.291 174.090 -0.092 0.000 1.237 165 c CA -1.277 55.057 56.329 0.008 0.000 1.529 165 c CB 1.688 44.156 42.510 -0.071 0.000 2.021 165 c HN 0.778 nan 8.230 nan 0.000 0.474 166 P HA 0.052 nan 4.420 nan 0.000 0.262 166 P C -0.901 176.342 177.300 -0.094 0.000 1.182 166 P CA 0.661 63.519 63.100 -0.403 0.000 0.761 166 P CB 0.299 31.604 31.700 -0.659 0.000 0.795 167 D N 2.063 122.498 120.400 0.059 0.000 2.255 167 D HA 0.072 4.711 4.640 -0.001 0.000 0.249 167 D C 0.784 177.140 176.300 0.094 0.000 1.078 167 D CA -0.421 53.642 54.000 0.105 0.000 0.896 167 D CB 0.469 41.364 40.800 0.157 0.000 1.194 167 D HN 0.350 nan 8.370 nan 0.000 0.429 168 W N 4.509 125.780 121.300 -0.049 0.000 2.338 168 W HA -0.153 4.507 4.660 -0.000 0.000 0.304 168 W C 1.977 178.472 176.519 -0.040 0.000 1.212 168 W CA 1.322 58.633 57.345 -0.056 0.000 1.264 168 W CB 0.074 29.504 29.460 -0.050 0.000 1.142 168 W HN 0.512 nan 8.180 nan 0.000 0.512 169 R N 0.154 120.645 120.500 -0.014 0.000 2.128 169 R HA 0.048 4.388 4.340 -0.001 0.000 0.211 169 R C 2.018 178.199 176.300 -0.198 0.000 1.067 169 R CA 1.147 57.080 56.100 -0.279 0.000 1.010 169 R CB -0.222 30.104 30.300 0.044 0.000 0.922 169 R HN 0.050 nan 8.270 nan 0.000 0.457 170 K N -0.434 119.914 120.400 -0.086 0.000 2.356 170 K HA 0.060 4.379 4.320 -0.001 0.000 0.195 170 K C 0.457 177.009 176.600 -0.080 0.000 1.037 170 K CA 0.688 56.895 56.287 -0.133 0.000 1.014 170 K CB 0.510 32.899 32.500 -0.185 0.000 0.815 170 K HN 0.225 nan 8.250 nan 0.000 0.507 171 D N -0.570 119.833 120.400 0.005 0.000 3.194 171 D HA 0.073 4.712 4.640 -0.001 0.000 0.290 171 D C 0.584 176.870 176.300 -0.024 0.000 1.280 171 D CA 0.638 54.702 54.000 0.106 0.000 1.058 171 D CB 0.729 41.668 40.800 0.232 0.000 1.241 171 D HN 0.236 nan 8.370 nan 0.000 0.421 172 c N -0.424 118.099 118.600 -0.128 0.000 3.247 172 c HA 0.490 5.060 4.570 -0.001 0.000 0.375 172 c C 0.973 174.924 174.090 -0.232 0.000 1.102 172 c CA -0.938 55.281 56.329 -0.183 0.000 1.227 172 c CB 1.768 44.191 42.510 -0.144 0.000 1.586 172 c HN 0.185 nan 8.230 nan 0.000 0.544 173 R N 1.025 121.356 120.500 -0.281 0.000 2.200 173 R HA 0.037 4.376 4.340 -0.001 0.000 0.208 173 R C 1.167 177.446 176.300 -0.035 0.000 1.033 173 R CA 1.477 57.464 56.100 -0.188 0.000 1.000 173 R CB -0.096 30.071 30.300 -0.222 0.000 0.906 173 R HN 0.936 nan 8.270 nan 0.000 0.462 174 T N 0.467 114.962 114.554 -0.099 0.000 3.843 174 T HA 0.105 4.454 4.350 -0.001 0.000 0.227 174 T C -0.217 174.364 174.700 -0.198 0.000 1.043 174 T CA -0.708 61.325 62.100 -0.112 0.000 1.012 174 T CB -1.000 67.802 68.868 -0.110 0.000 1.279 174 T HN 0.219 nan 8.240 nan 0.000 0.730 175 N N -0.871 117.725 118.700 -0.174 0.000 2.432 175 N HA 0.371 5.110 4.740 -0.001 0.000 0.292 175 N C 0.192 175.569 175.510 -0.222 0.000 1.193 175 N CA -1.288 51.613 53.050 -0.248 0.000 0.878 175 N CB 0.649 39.005 38.487 -0.219 0.000 1.252 175 N HN -0.031 nan 8.380 nan 0.000 0.520 176 Y N -0.660 119.592 120.300 -0.080 0.000 2.293 176 Y HA -0.021 4.529 4.550 -0.001 0.000 0.291 176 Y C 1.843 177.715 175.900 -0.048 0.000 1.137 176 Y CA 0.733 58.869 58.100 0.061 0.000 1.202 176 Y CB -0.163 38.357 38.460 0.100 0.000 0.990 176 Y HN 0.582 nan 8.280 nan 0.000 0.537 177 L N -0.818 120.179 121.223 -0.377 0.000 2.005 177 L HA -0.158 4.182 4.340 -0.001 0.000 0.207 177 L C 2.285 179.155 176.870 0.001 0.000 1.072 177 L CA 1.884 56.361 54.840 -0.604 0.000 0.744 177 L CB -1.063 40.578 42.059 -0.697 0.000 0.895 177 L HN -0.020 nan 8.230 nan 0.000 0.433 178 S N -0.793 114.935 115.700 0.046 0.000 2.359 178 S HA -0.175 4.294 4.470 -0.001 0.000 0.224 178 S C 1.981 176.694 174.600 0.190 0.000 1.035 178 S CA 1.538 59.833 58.200 0.158 0.000 1.018 178 S CB -0.588 62.726 63.200 0.190 0.000 0.876 178 S HN 0.353 nan 8.310 nan 0.000 0.448 179 V N 1.465 121.479 119.914 0.167 0.000 2.343 179 V HA -0.160 3.960 4.120 -0.001 0.000 0.247 179 V C 1.854 178.050 176.094 0.170 0.000 1.051 179 V CA 1.821 64.234 62.300 0.188 0.000 1.036 179 V CB -0.797 31.147 31.823 0.203 0.000 0.654 179 V HN 0.498 nan 8.190 nan 0.000 0.451 180 F N 0.129 120.062 119.950 -0.027 0.000 2.043 180 F HA -0.264 4.262 4.527 -0.001 0.000 0.297 180 F C 2.046 177.623 175.800 -0.372 0.000 1.121 180 F CA 2.072 59.749 58.000 -0.538 0.000 1.199 180 F CB -0.484 38.237 39.000 -0.465 0.000 0.968 180 F HN 0.172 nan 8.300 nan 0.000 0.478 181 W N 0.930 122.283 121.300 0.089 0.000 2.374 181 W HA -0.100 4.560 4.660 -0.001 0.000 0.288 181 W C 2.459 178.908 176.519 -0.116 0.000 1.218 181 W CA 1.343 58.664 57.345 -0.040 0.000 1.245 181 W CB -0.519 28.992 29.460 0.086 0.000 1.126 181 W HN 0.095 nan 8.180 nan 0.000 0.545 182 E N 0.059 120.330 120.200 0.119 0.000 2.051 182 E HA -0.216 4.134 4.350 -0.001 0.000 0.192 182 E C 2.076 178.675 176.600 -0.002 0.000 0.991 182 E CA 1.888 58.327 56.400 0.065 0.000 0.799 182 E CB -0.522 29.222 29.700 0.073 0.000 0.748 182 E HN 0.086 nan 8.360 nan 0.000 0.449 183 V N 1.314 121.182 119.914 -0.076 0.000 2.295 183 V HA -0.242 3.877 4.120 -0.001 0.000 0.246 183 V C 2.348 178.341 176.094 -0.169 0.000 1.049 183 V CA 1.373 63.610 62.300 -0.104 0.000 1.024 183 V CB -0.447 31.308 31.823 -0.113 0.000 0.648 183 V HN 0.206 nan 8.190 nan 0.000 0.447 184 L N 0.229 121.226 121.223 -0.377 0.000 2.046 184 L HA -0.130 4.210 4.340 -0.001 0.000 0.208 184 L C 2.534 179.367 176.870 -0.062 0.000 1.077 184 L CA 2.125 56.743 54.840 -0.371 0.000 0.747 184 L CB -0.599 40.985 42.059 -0.792 0.000 0.896 184 L HN 0.288 nan 8.230 nan 0.000 0.432 185 S N -0.896 114.822 115.700 0.030 0.000 2.383 185 S HA -0.216 4.253 4.470 -0.001 0.000 0.227 185 S C 1.852 176.596 174.600 0.239 0.000 1.026 185 S CA 1.286 59.604 58.200 0.197 0.000 0.981 185 S CB -0.300 63.017 63.200 0.196 0.000 0.818 185 S HN 0.573 nan 8.310 nan 0.000 0.472 186 E N 1.077 121.352 120.200 0.124 0.000 2.077 186 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 186 E C 2.206 178.877 176.600 0.119 0.000 0.989 186 E CA 0.752 57.215 56.400 0.105 0.000 0.800 186 E CB 0.063 29.794 29.700 0.051 0.000 0.746 186 E HN 0.140 nan 8.360 nan 0.000 0.452 187 R N -0.021 120.540 120.500 0.101 0.000 2.081 187 R HA -0.131 4.208 4.340 -0.001 0.000 0.235 187 R C 2.245 178.651 176.300 0.177 0.000 1.131 187 R CA 1.068 57.229 56.100 0.101 0.000 0.960 187 R CB -1.082 29.250 30.300 0.054 0.000 0.856 187 R HN 0.296 nan 8.270 nan 0.000 0.436 188 F N 1.415 121.405 119.950 0.066 0.000 2.095 188 F HA -0.242 4.284 4.527 -0.001 0.000 0.298 188 F C 2.239 178.163 175.800 0.206 0.000 1.104 188 F CA 1.604 59.666 58.000 0.103 0.000 1.232 188 F CB -0.497 38.557 39.000 0.090 0.000 0.987 188 F HN 0.056 nan 8.300 nan 0.000 0.475 189 A N 0.047 123.065 122.820 0.330 0.000 1.858 189 A HA -0.216 4.104 4.320 -0.001 0.000 0.216 189 A C 2.113 179.759 177.584 0.103 0.000 1.190 189 A CA 1.847 54.048 52.037 0.273 0.000 0.617 189 A CB -1.022 18.102 19.000 0.207 0.000 0.827 189 A HN 0.551 nan 8.150 nan 0.000 0.443 190 E N -0.266 119.981 120.200 0.078 0.000 2.160 190 E HA -0.166 4.183 4.350 -0.001 0.000 0.195 190 E C 2.142 178.758 176.600 0.027 0.000 0.991 190 E CA 1.273 57.697 56.400 0.040 0.000 0.810 190 E CB -0.166 29.558 29.700 0.039 0.000 0.742 190 E HN 0.660 nan 8.360 nan 0.000 0.466 191 S N 0.534 116.246 115.700 0.021 0.000 2.489 191 S HA 0.064 4.533 4.470 -0.001 0.000 0.228 191 S C 0.923 175.508 174.600 -0.026 0.000 0.995 191 S CA 0.257 58.457 58.200 -0.001 0.000 0.934 191 S CB -0.041 63.160 63.200 0.003 0.000 0.771 191 S HN 0.239 nan 8.310 nan 0.000 0.522 192 A N 1.120 123.923 122.820 -0.029 0.000 2.511 192 A HA 0.469 4.788 4.320 -0.001 0.000 0.242 192 A C 0.547 178.142 177.584 0.019 0.000 1.069 192 A CA 0.037 52.068 52.037 -0.009 0.000 0.763 192 A CB -0.711 18.346 19.000 0.095 0.000 1.001 192 A HN 0.929 nan 8.150 nan 0.000 0.498 193 c N 1.821 120.436 118.600 0.024 0.000 3.090 193 c HA 0.874 5.444 4.570 -0.001 0.000 0.305 193 c C 0.249 174.366 174.090 0.045 0.000 1.292 193 c CA -1.030 55.318 56.329 0.032 0.000 1.482 193 c CB 0.816 43.339 42.510 0.022 0.000 1.897 193 c HN 1.087 nan 8.230 nan 0.000 0.469 194 N N 0.119 118.845 118.700 0.044 0.000 1.191 194 N HA -0.179 4.560 4.740 -0.001 0.000 0.120 194 N C -0.170 175.384 175.510 0.073 0.000 0.826 194 N CA 1.653 54.734 53.050 0.051 0.000 0.876 194 N CB -1.442 37.073 38.487 0.047 0.000 1.050 194 N HN 0.995 nan 8.380 nan 0.000 0.603 195 T N 1.650 116.255 114.554 0.085 0.000 2.817 195 T HA 0.550 4.899 4.350 -0.001 0.000 0.293 195 T C 0.220 175.013 174.700 0.156 0.000 0.964 195 T CA -0.387 61.782 62.100 0.116 0.000 1.085 195 T CB 0.621 69.559 68.868 0.116 0.000 0.921 195 T HN 0.506 nan 8.240 nan 0.000 0.502 196 V N 2.180 122.214 119.914 0.200 0.000 2.864 196 V HA 0.793 4.913 4.120 -0.001 0.000 0.314 196 V C -0.579 175.718 176.094 0.340 0.000 1.073 196 V CA -1.326 61.149 62.300 0.291 0.000 0.956 196 V CB 1.967 34.024 31.823 0.390 0.000 1.023 196 V HN 0.760 nan 8.190 nan 0.000 0.435 197 R N 1.552 122.301 120.500 0.414 0.000 2.670 197 R HA 0.841 5.181 4.340 -0.001 0.000 0.289 197 R C -1.442 175.133 176.300 0.457 0.000 0.965 197 R CA -0.693 55.672 56.100 0.443 0.000 0.899 197 R CB 2.307 32.907 30.300 0.501 0.000 1.173 197 R HN 0.753 nan 8.270 nan 0.000 0.456 198 V N 3.734 123.858 119.914 0.350 0.000 2.540 198 V HA 0.461 4.580 4.120 -0.001 0.000 0.302 198 V C -1.026 175.157 176.094 0.148 0.000 1.035 198 V CA -0.647 61.760 62.300 0.178 0.000 0.873 198 V CB 2.073 33.804 31.823 -0.154 0.000 0.992 198 V HN 0.467 nan 8.190 nan 0.000 0.428 199 V N 8.309 128.286 119.914 0.104 0.000 2.350 199 V HA 0.502 4.621 4.120 -0.001 0.000 0.276 199 V C 0.040 176.130 176.094 -0.008 0.000 1.028 199 V CA -0.278 62.028 62.300 0.011 0.000 0.860 199 V CB 1.081 32.896 31.823 -0.014 0.000 0.990 199 V HN 0.708 nan 8.190 nan 0.000 0.453 200 L N 3.515 124.714 121.223 -0.040 0.000 2.303 200 L HA 0.621 4.960 4.340 -0.001 0.000 0.266 200 L C 0.048 176.907 176.870 -0.019 0.000 1.011 200 L CA -0.800 54.039 54.840 -0.002 0.000 0.818 200 L CB 1.946 44.031 42.059 0.043 0.000 1.326 200 L HN 0.464 nan 8.230 nan 0.000 0.435 201 N N 0.501 119.212 118.700 0.018 0.000 2.462 201 N HA 0.168 4.908 4.740 -0.001 0.000 0.242 201 N C 0.563 176.093 175.510 0.033 0.000 1.010 201 N CA -0.080 52.979 53.050 0.014 0.000 0.939 201 N CB 1.809 40.315 38.487 0.030 0.000 1.127 201 N HN 0.800 nan 8.380 nan 0.000 0.509 202 G N 1.435 110.257 108.800 0.038 0.000 2.848 202 G HA2 -0.085 3.875 3.960 -0.001 0.000 0.208 202 G HA3 -0.085 3.875 3.960 -0.001 0.000 0.208 202 G C 0.739 175.692 174.900 0.089 0.000 1.152 202 G CA 0.128 45.273 45.100 0.075 0.000 0.789 202 G HN 0.506 nan 8.290 nan 0.000 0.531 203 S N -0.196 115.550 115.700 0.078 0.000 2.572 203 S HA 0.395 4.865 4.470 -0.001 0.000 0.228 203 S C 0.485 175.108 174.600 0.039 0.000 0.963 203 S CA -0.362 57.876 58.200 0.063 0.000 0.939 203 S CB 0.107 63.350 63.200 0.072 0.000 0.804 203 S HN 0.182 nan 8.310 nan 0.000 0.480 204 L N 0.866 122.111 121.223 0.037 0.000 2.332 204 L HA 0.451 4.791 4.340 -0.001 0.000 0.269 204 L C 1.316 178.203 176.870 0.028 0.000 1.016 204 L CA -0.824 54.033 54.840 0.029 0.000 0.809 204 L CB 0.788 42.864 42.059 0.028 0.000 1.280 204 L HN -0.070 nan 8.230 nan 0.000 0.447 205 E N 0.940 121.153 120.200 0.022 0.000 2.051 205 E HA -0.100 4.250 4.350 -0.001 0.000 0.192 205 E C -0.113 176.506 176.600 0.032 0.000 0.991 205 E CA 1.376 57.789 56.400 0.022 0.000 0.799 205 E CB -0.095 29.614 29.700 0.016 0.000 0.748 205 E HN 0.542 nan 8.360 nan 0.000 0.449 206 N N -0.404 118.316 118.700 0.032 0.000 2.524 206 N HA 0.315 5.054 4.740 -0.001 0.000 0.261 206 N C 0.083 175.630 175.510 0.062 0.000 0.998 206 N CA 0.098 53.178 53.050 0.050 0.000 0.915 206 N CB 1.901 40.408 38.487 0.034 0.000 1.187 206 N HN -0.027 nan 8.380 nan 0.000 0.507 207 A N 1.981 124.859 122.820 0.097 0.000 1.969 207 A HA -0.056 4.264 4.320 -0.001 0.000 0.218 207 A C 0.356 178.046 177.584 0.178 0.000 1.169 207 A CA 0.985 53.090 52.037 0.112 0.000 0.635 207 A CB -0.211 18.857 19.000 0.112 0.000 0.810 207 A HN 0.610 nan 8.150 nan 0.000 0.445 208 F N 0.703 120.686 119.950 0.054 0.000 2.411 208 F HA 0.525 5.052 4.527 -0.001 0.000 0.352 208 F C -0.902 174.929 175.800 0.051 0.000 1.123 208 F CA -1.981 56.066 58.000 0.079 0.000 1.044 208 F CB 1.176 40.227 39.000 0.085 0.000 1.135 208 F HN 0.019 nan 8.300 nan 0.000 0.461 209 D N 3.548 123.548 120.400 -0.665 0.000 2.414 209 D HA 0.144 4.783 4.640 -0.001 0.000 0.232 209 D C 0.850 176.607 176.300 -0.904 0.000 1.070 209 D CA -0.106 53.557 54.000 -0.560 0.000 0.839 209 D CB 1.653 42.281 40.800 -0.288 0.000 1.079 209 D HN 0.573 nan 8.370 nan 0.000 0.521 210 S N 3.385 118.651 115.700 -0.722 0.000 2.442 210 S HA -0.153 4.317 4.470 -0.001 0.000 0.236 210 S C 1.487 175.917 174.600 -0.283 0.000 1.007 210 S CA 0.580 58.481 58.200 -0.498 0.000 0.965 210 S CB -0.096 63.036 63.200 -0.114 0.000 0.773 210 S HN 0.505 nan 8.310 nan 0.000 0.504 211 M N 2.302 121.761 119.600 -0.236 0.000 2.428 211 M HA 0.280 4.759 4.480 -0.001 0.000 0.239 211 M C 0.874 177.079 176.300 -0.157 0.000 1.121 211 M CA -0.034 55.185 55.300 -0.134 0.000 1.019 211 M CB -0.667 31.894 32.600 -0.064 0.000 1.485 211 M HN 0.504 nan 8.290 nan 0.000 0.484 212 S N -0.112 115.457 115.700 -0.218 0.000 2.589 212 S HA 0.289 4.759 4.470 -0.001 0.000 0.265 212 S C 1.478 176.000 174.600 -0.130 0.000 1.342 212 S CA -0.590 57.499 58.200 -0.186 0.000 1.005 212 S CB 1.146 64.246 63.200 -0.167 0.000 0.909 212 S HN 0.316 nan 8.310 nan 0.000 0.555 213 I N 0.193 120.695 120.570 -0.115 0.000 2.208 213 I HA -0.155 4.014 4.170 -0.001 0.000 0.245 213 I C 2.204 178.328 176.117 0.012 0.000 1.097 213 I CA 1.734 63.002 61.300 -0.053 0.000 1.363 213 I CB -0.445 37.522 38.000 -0.056 0.000 1.051 213 I HN 0.743 nan 8.210 nan 0.000 0.413 214 F N 1.729 121.619 119.950 -0.098 0.000 2.126 214 F HA -0.151 4.376 4.527 -0.001 0.000 0.299 214 F C 2.215 178.032 175.800 0.029 0.000 1.096 214 F CA 1.762 59.748 58.000 -0.023 0.000 1.255 214 F CB -0.732 38.267 39.000 -0.001 0.000 0.997 214 F HN -0.033 nan 8.300 nan 0.000 0.479 215 G N -0.454 108.261 108.800 -0.141 0.000 2.430 215 G HA2 -0.115 3.845 3.960 -0.001 0.000 0.216 215 G HA3 -0.115 3.845 3.960 -0.001 0.000 0.216 215 G C 1.804 176.631 174.900 -0.121 0.000 1.146 215 G CA 0.299 45.313 45.100 -0.142 0.000 0.793 215 G HN 0.326 nan 8.290 nan 0.000 0.537 216 R N -0.939 119.489 120.500 -0.119 0.000 2.189 216 R HA 0.254 4.593 4.340 -0.001 0.000 0.203 216 R C 1.966 178.224 176.300 -0.070 0.000 1.012 216 R CA 0.422 56.477 56.100 -0.076 0.000 1.015 216 R CB 0.305 30.575 30.300 -0.050 0.000 0.938 216 R HN 0.301 nan 8.270 nan 0.000 0.472 217 V N -0.359 119.511 119.914 -0.075 0.000 3.090 217 V HA 0.037 4.157 4.120 -0.001 0.000 0.237 217 V C 1.472 177.536 176.094 -0.051 0.000 1.209 217 V CA 0.699 62.978 62.300 -0.036 0.000 1.209 217 V CB 0.470 32.301 31.823 0.014 0.000 0.971 217 V HN 0.138 nan 8.190 nan 0.000 0.477 218 E N 1.138 121.284 120.200 -0.089 0.000 2.024 218 E HA 0.002 4.352 4.350 -0.001 0.000 0.190 218 E C 2.305 178.702 176.600 -0.337 0.000 0.974 218 E CA 1.139 57.476 56.400 -0.105 0.000 0.810 218 E CB -0.308 29.440 29.700 0.080 0.000 0.775 218 E HN 0.460 nan 8.360 nan 0.000 0.453 219 A N 2.081 124.521 122.820 -0.633 0.000 1.917 219 A HA -0.135 4.185 4.320 -0.001 0.000 0.219 219 A C -0.372 177.014 177.584 -0.329 0.000 1.182 219 A CA 1.469 53.143 52.037 -0.604 0.000 0.633 219 A CB -1.563 16.958 19.000 -0.799 0.000 0.819 219 A HN 0.148 nan 8.150 nan 0.000 0.448 220 P HA -0.013 nan 4.420 nan 0.000 0.234 220 P C 0.018 177.252 177.300 -0.111 0.000 1.167 220 P CA 1.050 64.058 63.100 -0.152 0.000 0.763 220 P CB -0.205 31.428 31.700 -0.112 0.000 0.835 221 N N -1.526 117.108 118.700 -0.110 0.000 2.235 221 N HA 0.155 4.894 4.740 -0.001 0.000 0.231 221 N C -0.205 175.271 175.510 -0.056 0.000 1.177 221 N CA -0.200 52.814 53.050 -0.060 0.000 0.874 221 N CB 0.078 38.552 38.487 -0.022 0.000 1.097 221 N HN 0.055 nan 8.380 nan 0.000 0.518 222 L N 2.086 123.250 121.223 -0.098 0.000 2.426 222 L HA 0.242 4.582 4.340 -0.001 0.000 0.271 222 L C 0.902 177.745 176.870 -0.046 0.000 1.169 222 L CA -0.449 54.346 54.840 -0.075 0.000 0.836 222 L CB 0.493 42.482 42.059 -0.117 0.000 1.112 222 L HN 0.240 nan 8.230 nan 0.000 0.465 223 R N 3.162 123.650 120.500 -0.021 0.000 2.560 223 R HA 0.445 4.785 4.340 -0.001 0.000 0.270 223 R C -2.557 173.735 176.300 -0.013 0.000 1.074 223 R CA -1.862 54.230 56.100 -0.014 0.000 1.140 223 R CB -0.250 30.049 30.300 -0.002 0.000 1.073 223 R HN 0.276 nan 8.270 nan 0.000 0.527 224 P HA -0.156 nan 4.420 nan 0.000 0.269 224 P C -0.087 177.213 177.300 -0.000 0.000 1.215 224 P CA 0.283 63.377 63.100 -0.010 0.000 0.780 224 P CB 0.734 32.428 31.700 -0.010 0.000 0.898 225 Q N -0.964 118.839 119.800 0.004 0.000 2.511 225 Q HA -0.142 4.197 4.340 -0.001 0.000 0.151 225 Q C -1.067 174.945 176.000 0.021 0.000 0.589 225 Q CA 0.902 56.712 55.803 0.012 0.000 1.260 225 Q CB -2.096 26.648 28.738 0.011 0.000 1.087 225 Q HN 0.232 nan 8.270 nan 0.000 1.060 226 V N 2.512 122.438 119.914 0.021 0.000 2.872 226 V HA 0.071 4.191 4.120 -0.001 0.000 0.307 226 V C 0.619 176.740 176.094 0.045 0.000 1.072 226 V CA 1.222 63.544 62.300 0.036 0.000 1.148 226 V CB 1.128 32.970 31.823 0.031 0.000 0.954 226 V HN 0.256 nan 8.190 nan 0.000 0.490 227 E N 3.505 123.745 120.200 0.066 0.000 2.165 227 E HA 0.424 4.773 4.350 -0.001 0.000 0.266 227 E C -1.128 175.540 176.600 0.114 0.000 0.889 227 E CA -0.802 55.645 56.400 0.078 0.000 0.756 227 E CB 2.213 31.951 29.700 0.063 0.000 1.131 227 E HN 0.431 nan 8.360 nan 0.000 0.411 228 L N 2.794 124.105 121.223 0.146 0.000 2.282 228 L HA 0.309 4.648 4.340 -0.001 0.000 0.288 228 L C -0.719 176.261 176.870 0.182 0.000 1.033 228 L CA -0.111 54.852 54.840 0.204 0.000 0.807 228 L CB 1.047 43.247 42.059 0.235 0.000 1.209 228 L HN 0.419 nan 8.230 nan 0.000 0.423 229 E N 4.578 124.865 120.200 0.145 0.000 2.113 229 E HA 0.624 4.974 4.350 -0.001 0.000 0.273 229 E C -0.899 175.702 176.600 0.002 0.000 0.924 229 E CA -0.755 55.630 56.400 -0.024 0.000 0.764 229 E CB 1.549 31.271 29.700 0.036 0.000 1.104 229 E HN 0.756 nan 8.360 nan 0.000 0.406 230 A N 3.636 126.361 122.820 -0.158 0.000 2.290 230 A HA 0.473 4.793 4.320 -0.001 0.000 0.310 230 A C -1.400 175.996 177.584 -0.314 0.000 1.202 230 A CA -0.518 51.493 52.037 -0.044 0.000 0.837 230 A CB 0.320 19.424 19.000 0.173 0.000 1.139 230 A HN 0.627 nan 8.150 nan 0.000 0.509 231 W N 2.323 123.576 121.300 -0.077 0.000 2.411 231 W HA 0.553 5.212 4.660 -0.001 0.000 0.317 231 W C -0.944 175.426 176.519 -0.249 0.000 1.030 231 W CA -0.387 56.845 57.345 -0.189 0.000 1.239 231 W CB 1.583 30.851 29.460 -0.320 0.000 1.304 231 W HN 0.353 nan 8.180 nan 0.000 0.437 232 L N 4.900 126.124 121.223 0.001 0.000 2.264 232 L HA 0.431 4.770 4.340 -0.001 0.000 0.287 232 L C -0.244 176.599 176.870 -0.045 0.000 1.039 232 L CA -0.551 54.278 54.840 -0.019 0.000 0.829 232 L CB 0.677 42.746 42.059 0.018 0.000 1.211 232 L HN 0.121 nan 8.230 nan 0.000 0.427 233 V N 2.869 122.698 119.914 -0.142 0.000 2.398 233 V HA 0.419 4.539 4.120 -0.001 0.000 0.286 233 V C -0.164 175.871 176.094 -0.099 0.000 1.026 233 V CA -0.842 61.333 62.300 -0.208 0.000 0.868 233 V CB 1.199 32.761 31.823 -0.435 0.000 0.982 233 V HN 0.863 nan 8.190 nan 0.000 0.443 234 H N 1.369 120.415 119.070 -0.040 0.000 2.544 234 H HA 0.610 5.165 4.556 -0.001 0.000 0.342 234 H C -0.586 174.736 175.328 -0.010 0.000 1.185 234 H CA -1.170 54.867 56.048 -0.018 0.000 1.264 234 H CB 0.596 30.355 29.762 -0.004 0.000 1.607 234 H HN 0.505 nan 8.280 nan 0.000 0.550 235 D N 1.364 121.850 120.400 0.142 0.000 2.472 235 D HA 0.038 4.678 4.640 -0.001 0.000 0.237 235 D C 0.050 176.436 176.300 0.144 0.000 1.141 235 D CA 0.213 54.267 54.000 0.089 0.000 0.875 235 D CB 0.447 41.299 40.800 0.085 0.000 1.192 235 D HN 0.600 nan 8.370 nan 0.000 0.450 236 T N 1.100 115.683 114.554 0.048 0.000 2.902 236 T HA 0.368 4.718 4.350 -0.001 0.000 0.301 236 T C 1.486 176.243 174.700 0.095 0.000 1.012 236 T CA 0.570 62.706 62.100 0.060 0.000 1.151 236 T CB 0.745 69.627 68.868 0.023 0.000 0.946 236 T HN 0.609 nan 8.240 nan 0.000 0.542 237 G N 2.574 111.445 108.800 0.118 0.000 2.179 237 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.260 237 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.260 237 G C 0.037 174.979 174.900 0.070 0.000 0.977 237 G CA 0.198 45.346 45.100 0.081 0.000 0.641 237 G HN 0.668 nan 8.290 nan 0.000 0.533 238 K N 0.656 121.118 120.400 0.104 0.000 2.259 238 K HA 0.558 4.877 4.320 -0.001 0.000 0.249 238 K C -2.709 173.830 176.600 -0.101 0.000 0.942 238 K CA -2.161 54.146 56.287 0.034 0.000 0.816 238 K CB 2.260 34.796 32.500 0.059 0.000 1.155 238 K HN -0.044 nan 8.250 nan 0.000 0.428 239 P HA 0.178 nan 4.420 nan 0.000 0.275 239 P C -2.569 174.562 177.300 -0.282 0.000 1.227 239 P CA -1.348 61.614 63.100 -0.229 0.000 0.781 239 P CB -0.087 31.545 31.700 -0.114 0.000 0.906 240 P HA 0.105 nan 4.420 nan 0.000 0.269 240 P C 0.210 177.463 177.300 -0.078 0.000 1.209 240 P CA 0.245 63.221 63.100 -0.207 0.000 0.776 240 P CB 0.394 32.002 31.700 -0.153 0.000 0.876 241 S N -0.916 114.773 115.700 -0.018 0.000 2.506 241 S HA 0.116 4.585 4.470 -0.001 0.000 0.219 241 S C 0.220 174.826 174.600 0.011 0.000 1.031 241 S CA 0.353 58.551 58.200 -0.004 0.000 0.911 241 S CB 0.077 63.282 63.200 0.009 0.000 0.812 241 S HN 0.553 nan 8.310 nan 0.000 0.497 242 D N 0.639 121.053 120.400 0.023 0.000 2.581 242 D HA 0.641 5.280 4.640 -0.001 0.000 0.232 242 D C -0.792 175.529 176.300 0.035 0.000 1.143 242 D CA -0.280 53.740 54.000 0.033 0.000 0.881 242 D CB 2.169 42.998 40.800 0.049 0.000 1.500 242 D HN 0.168 nan 8.370 nan 0.000 0.458 243 S N -0.006 115.714 115.700 0.034 0.000 2.685 243 S HA 0.329 4.798 4.470 -0.001 0.000 0.282 243 S C 0.778 175.395 174.600 0.029 0.000 1.159 243 S CA -0.550 57.666 58.200 0.026 0.000 0.833 243 S CB 0.842 64.050 63.200 0.013 0.000 1.151 243 S HN 0.531 nan 8.310 nan 0.000 0.485 244 c N 1.805 120.410 118.600 0.008 0.000 2.419 244 c HA 0.069 4.639 4.570 -0.001 0.000 0.283 244 c C 2.547 176.650 174.090 0.022 0.000 1.373 244 c CA 1.179 57.511 56.329 0.005 0.000 1.781 244 c CB -1.653 40.821 42.510 -0.060 0.000 1.886 244 c HN 0.942 nan 8.230 nan 0.000 0.520 245 S N -0.286 115.423 115.700 0.014 0.000 2.572 245 S HA 0.321 4.791 4.470 -0.001 0.000 0.228 245 S C 0.748 175.361 174.600 0.022 0.000 0.963 245 S CA 0.199 58.408 58.200 0.015 0.000 0.939 245 S CB -0.008 63.194 63.200 0.003 0.000 0.804 245 S HN 0.533 nan 8.310 nan 0.000 0.480 246 G N 1.516 110.335 108.800 0.032 0.000 2.543 246 G HA2 0.421 4.381 3.960 -0.001 0.000 0.290 246 G HA3 0.421 4.381 3.960 -0.001 0.000 0.290 246 G C 0.908 175.833 174.900 0.041 0.000 1.310 246 G CA -0.070 45.051 45.100 0.035 0.000 1.025 246 G HN 0.388 nan 8.290 nan 0.000 0.502 247 S N -0.827 114.898 115.700 0.043 0.000 2.371 247 S HA -0.180 4.289 4.470 -0.001 0.000 0.224 247 S C 2.520 177.163 174.600 0.071 0.000 1.029 247 S CA 1.760 59.987 58.200 0.046 0.000 0.978 247 S CB -0.754 62.470 63.200 0.039 0.000 0.833 247 S HN 0.982 nan 8.310 nan 0.000 0.466 248 S N 2.336 118.097 115.700 0.102 0.000 2.382 248 S HA 0.004 4.474 4.470 -0.001 0.000 0.228 248 S C 1.904 176.621 174.600 0.195 0.000 1.027 248 S CA 0.924 59.237 58.200 0.188 0.000 0.991 248 S CB -0.774 62.547 63.200 0.201 0.000 0.823 248 S HN 0.432 nan 8.310 nan 0.000 0.469 249 I N 2.116 122.750 120.570 0.107 0.000 2.394 249 I HA -0.034 4.136 4.170 -0.001 0.000 0.251 249 I C 2.785 178.867 176.117 -0.058 0.000 1.136 249 I CA 0.966 62.280 61.300 0.023 0.000 1.425 249 I CB -1.060 37.001 38.000 0.101 0.000 1.079 249 I HN 0.384 nan 8.210 nan 0.000 0.425 250 R N 0.886 121.381 120.500 -0.009 0.000 2.105 250 R HA -0.179 4.161 4.340 -0.001 0.000 0.239 250 R C 2.210 178.458 176.300 -0.086 0.000 1.135 250 R CA 1.218 57.298 56.100 -0.034 0.000 0.967 250 R CB -0.149 30.151 30.300 -0.001 0.000 0.861 250 R HN 0.406 nan 8.270 nan 0.000 0.442 251 K N 0.359 120.730 120.400 -0.049 0.000 2.057 251 K HA -0.138 4.181 4.320 -0.001 0.000 0.206 251 K C 2.049 178.490 176.600 -0.266 0.000 1.050 251 K CA 0.932 57.199 56.287 -0.034 0.000 0.935 251 K CB -0.235 32.375 32.500 0.184 0.000 0.715 251 K HN 0.019 nan 8.250 nan 0.000 0.439 252 L N 2.086 122.912 121.223 -0.662 0.000 2.017 252 L HA -0.199 4.140 4.340 -0.001 0.000 0.208 252 L C 2.184 178.592 176.870 -0.770 0.000 1.073 252 L CA 1.913 56.088 54.840 -1.107 0.000 0.745 252 L CB -0.523 40.676 42.059 -1.433 0.000 0.894 252 L HN -0.051 nan 8.230 nan 0.000 0.432 253 K N -0.731 119.292 120.400 -0.629 0.000 2.103 253 K HA -0.179 4.141 4.320 -0.001 0.000 0.207 253 K C 2.343 178.760 176.600 -0.305 0.000 1.048 253 K CA 1.856 57.847 56.287 -0.493 0.000 0.930 253 K CB -0.746 31.645 32.500 -0.180 0.000 0.716 253 K HN 0.419 nan 8.250 nan 0.000 0.444 254 S N -0.407 115.152 115.700 -0.235 0.000 2.383 254 S HA -0.012 4.457 4.470 -0.001 0.000 0.227 254 S C 1.850 176.349 174.600 -0.168 0.000 1.026 254 S CA 1.096 59.204 58.200 -0.154 0.000 0.981 254 S CB -0.291 62.848 63.200 -0.103 0.000 0.818 254 S HN 0.388 nan 8.310 nan 0.000 0.472 255 I N 1.301 121.736 120.570 -0.225 0.000 2.179 255 I HA -0.204 3.966 4.170 -0.001 0.000 0.242 255 I C 2.174 178.162 176.117 -0.215 0.000 1.088 255 I CA 1.272 62.446 61.300 -0.209 0.000 1.357 255 I CB -0.393 37.457 38.000 -0.250 0.000 1.051 255 I HN 0.313 nan 8.210 nan 0.000 0.409 256 L N 0.066 121.116 121.223 -0.287 0.000 2.093 256 L HA -0.215 4.125 4.340 -0.001 0.000 0.208 256 L C 2.156 178.941 176.870 -0.142 0.000 1.085 256 L CA 1.101 55.800 54.840 -0.234 0.000 0.755 256 L CB -0.782 41.089 42.059 -0.312 0.000 0.904 256 L HN 0.232 nan 8.230 nan 0.000 0.435 257 D N 0.512 120.832 120.400 -0.133 0.000 2.123 257 D HA -0.163 4.476 4.640 -0.001 0.000 0.196 257 D C 2.172 178.431 176.300 -0.069 0.000 0.992 257 D CA 1.611 55.563 54.000 -0.079 0.000 0.833 257 D CB -0.416 40.343 40.800 -0.069 0.000 0.954 257 D HN 0.348 nan 8.370 nan 0.000 0.455 258 G N 0.358 109.109 108.800 -0.082 0.000 2.432 258 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.219 258 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.219 258 G C 1.548 176.411 174.900 -0.062 0.000 1.135 258 G CA 0.273 45.334 45.100 -0.066 0.000 0.767 258 G HN 0.145 nan 8.290 nan 0.000 0.550 259 R N 0.347 120.801 120.500 -0.076 0.000 2.317 259 R HA 0.094 4.434 4.340 -0.001 0.000 0.208 259 R C 0.398 176.669 176.300 -0.048 0.000 0.914 259 R CA -0.168 55.892 56.100 -0.066 0.000 1.060 259 R CB -0.540 29.708 30.300 -0.088 0.000 1.015 259 R HN 0.333 nan 8.270 nan 0.000 0.498 260 N N 0.692 119.366 118.700 -0.043 0.000 2.738 260 N HA -0.147 4.593 4.740 -0.001 0.000 0.249 260 N C -1.055 174.443 175.510 -0.020 0.000 1.047 260 N CA 0.695 53.728 53.050 -0.027 0.000 0.707 260 N CB -1.051 37.424 38.487 -0.019 0.000 0.937 260 N HN -0.045 nan 8.380 nan 0.000 0.545 261 V N 0.992 120.890 119.914 -0.027 0.000 2.384 261 V HA 0.220 4.339 4.120 -0.001 0.000 0.287 261 V C 0.694 176.804 176.094 0.026 0.000 1.020 261 V CA -0.879 61.417 62.300 -0.008 0.000 0.850 261 V CB 2.112 33.914 31.823 -0.034 0.000 0.987 261 V HN 0.006 nan 8.190 nan 0.000 0.436 262 K N 3.503 123.932 120.400 0.048 0.000 2.436 262 K HA 0.277 4.597 4.320 -0.001 0.000 0.275 262 K C -0.767 175.926 176.600 0.155 0.000 0.999 262 K CA 0.098 56.430 56.287 0.074 0.000 0.980 262 K CB 0.648 33.175 32.500 0.044 0.000 0.919 262 K HN 0.522 nan 8.250 nan 0.000 0.484 263 F N 2.694 122.614 119.950 -0.049 0.000 2.518 263 F HA 0.358 4.884 4.527 -0.001 0.000 0.323 263 F C -0.575 175.181 175.800 -0.074 0.000 1.129 263 F CA -0.908 57.053 58.000 -0.063 0.000 0.920 263 F CB 1.202 40.154 39.000 -0.081 0.000 1.160 263 F HN 0.337 nan 8.300 nan 0.000 0.440 264 R N 4.952 125.105 120.500 -0.578 0.000 2.480 264 R HA 0.569 4.909 4.340 -0.001 0.000 0.306 264 R C -1.610 174.106 176.300 -0.973 0.000 0.958 264 R CA -0.737 54.968 56.100 -0.658 0.000 0.861 264 R CB 1.803 31.895 30.300 -0.348 0.000 1.171 264 R HN 0.729 nan 8.270 nan 0.000 0.445 265 c N 4.626 122.681 118.600 -0.908 0.000 2.379 265 c HA 0.680 5.249 4.570 -0.001 0.000 0.323 265 c C -0.967 172.814 174.090 -0.515 0.000 1.262 265 c CA -0.549 55.343 56.329 -0.728 0.000 1.581 265 c CB 0.632 42.789 42.510 -0.589 0.000 2.221 265 c HN 0.751 nan 8.230 nan 0.000 0.497 266 M N 5.898 125.158 119.600 -0.566 0.000 2.393 266 M HA 0.550 5.030 4.480 -0.001 0.000 0.316 266 M C -0.451 175.720 176.300 -0.216 0.000 1.087 266 M CA 0.015 55.034 55.300 -0.469 0.000 0.937 266 M CB 1.894 33.943 32.600 -0.918 0.000 1.668 266 M HN 0.855 nan 8.290 nan 0.000 0.438 267 D N -0.185 120.170 120.400 -0.075 0.000 2.867 267 D HA 0.415 5.054 4.640 -0.001 0.000 0.308 267 D C -0.580 175.769 176.300 0.080 0.000 1.202 267 D CA -0.672 53.337 54.000 0.015 0.000 1.035 267 D CB 0.218 41.019 40.800 0.001 0.000 1.427 267 D HN 0.472 nan 8.370 nan 0.000 0.570 268 N N -1.013 117.760 118.700 0.121 0.000 2.714 268 N HA -0.141 4.598 4.740 -0.001 0.000 0.253 268 N C -1.023 174.618 175.510 0.218 0.000 1.024 268 N CA 1.101 54.256 53.050 0.176 0.000 0.726 268 N CB -1.530 37.011 38.487 0.091 0.000 0.908 268 N HN 0.612 nan 8.380 nan 0.000 0.542 269 L N -2.643 118.699 121.223 0.198 0.000 2.465 269 L HA 0.836 5.175 4.340 -0.001 0.000 0.257 269 L C 0.124 176.810 176.870 -0.306 0.000 0.988 269 L CA -0.773 54.102 54.840 0.058 0.000 0.827 269 L CB 1.811 43.945 42.059 0.125 0.000 1.397 269 L HN 0.097 nan 8.230 nan 0.000 0.410 270 S N 0.634 116.124 115.700 -0.350 0.000 2.748 270 S HA 0.482 4.952 4.470 -0.001 0.000 0.299 270 S C 0.877 175.389 174.600 -0.147 0.000 1.119 270 S CA -0.318 57.597 58.200 -0.476 0.000 0.997 270 S CB 1.654 64.606 63.200 -0.412 0.000 1.223 270 S HN 0.963 nan 8.310 nan 0.000 0.541 271 R N 0.419 120.860 120.500 -0.098 0.000 2.096 271 R HA -0.169 4.171 4.340 -0.001 0.000 0.240 271 R C 1.182 177.514 176.300 0.053 0.000 1.139 271 R CA 2.341 58.451 56.100 0.018 0.000 0.952 271 R CB -0.889 29.413 30.300 0.004 0.000 0.854 271 R HN 0.720 nan 8.270 nan 0.000 0.436 272 D N 0.032 120.441 120.400 0.015 0.000 2.097 272 D HA -0.209 4.431 4.640 -0.001 0.000 0.195 272 D C 1.885 178.195 176.300 0.017 0.000 0.989 272 D CA 1.302 55.309 54.000 0.012 0.000 0.827 272 D CB -0.248 40.555 40.800 0.005 0.000 0.966 272 D HN 0.392 nan 8.370 nan 0.000 0.456 273 Q N -0.999 118.820 119.800 0.031 0.000 2.084 273 Q HA -0.167 4.173 4.340 -0.001 0.000 0.202 273 Q C 2.045 178.077 176.000 0.053 0.000 0.978 273 Q CA 0.893 56.722 55.803 0.043 0.000 0.844 273 Q CB -0.197 28.578 28.738 0.063 0.000 0.898 273 Q HN 0.251 nan 8.270 nan 0.000 0.426 274 F N 0.773 120.660 119.950 -0.105 0.000 2.134 274 F HA -0.151 4.376 4.527 -0.001 0.000 0.299 274 F C 1.604 177.324 175.800 -0.135 0.000 1.097 274 F CA 1.320 59.202 58.000 -0.197 0.000 1.264 274 F CB -0.187 38.677 39.000 -0.226 0.000 1.001 274 F HN 0.056 nan 8.300 nan 0.000 0.479 275 L N -0.077 121.057 121.223 -0.148 0.000 2.240 275 L HA -0.038 4.301 4.340 -0.001 0.000 0.211 275 L C 2.088 178.855 176.870 -0.172 0.000 1.106 275 L CA 0.487 55.209 54.840 -0.196 0.000 0.793 275 L CB -1.617 40.403 42.059 -0.065 0.000 0.927 275 L HN 0.297 nan 8.230 nan 0.000 0.446 276 Q N 0.000 119.732 119.800 -0.114 0.000 2.315 276 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 276 Q CA 0.000 55.751 55.803 -0.086 0.000 1.022 276 Q CB 0.000 28.712 28.738 -0.044 0.000 1.108 276 Q HN 0.000 nan 8.270 nan 0.000 0.481