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 3km8_1_B DATA FIRST_RESID 4 DATA SEQUENCE TPAFNKPKVE LHVHLDGAIK PETILYFGKK RGIALPADTV EELRNIIGMD DATA SEQUENCE KPLSLPGFLA KFDYYMPVIA GCREAIKRIA YEFVEMKAKE GVVYVEVRYS DATA SEQUENCE PHLLANSKVD PMPWNQTEGD VTPDDVVDLV NQGLQEGEQA FGIKVRSILC DATA SEQUENCE CMRHQPSWSL EVLELCKKYN QKTVVAMDLA GDETIEGSSL FPGHVEAYEG DATA SEQUENCE AVKNGIHRTV HAGQVGSPEV VREAVDILKT ERVGHGEHTI EDEALYNRLL DATA SEQUENCE KENMHFEVCP WSSYLTGAWD PKTTHAVVRF KNDKANYSLN TDDPLIFKST DATA SEQUENCE LDTDYQMTKK DMGFTEEEFK RLNINAAKSS FLPEEEKKEL LERLYREYQ 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.688 174.700 -0.020 0.000 1.109 4 T CA 0.000 62.089 62.100 -0.019 0.000 1.349 4 T CB 0.000 68.864 68.868 -0.007 0.000 0.612 5 P HA 0.430 nan 4.420 nan 0.000 0.271 5 P C 0.612 177.906 177.300 -0.009 0.000 1.216 5 P CA -0.305 62.766 63.100 -0.047 0.000 0.776 5 P CB 0.697 32.347 31.700 -0.083 0.000 0.881 6 A N 2.234 125.054 122.820 0.001 0.000 1.968 6 A HA -0.004 4.313 4.320 -0.004 0.000 0.217 6 A C 0.549 178.238 177.584 0.176 0.000 1.169 6 A CA 1.093 53.187 52.037 0.095 0.000 0.638 6 A CB -0.530 18.536 19.000 0.110 0.000 0.812 6 A HN 0.517 nan 8.150 nan 0.000 0.446 7 F N 0.311 120.149 119.950 -0.186 0.000 3.094 7 F HA 0.318 4.843 4.527 -0.004 0.000 0.385 7 F C -0.277 175.393 175.800 -0.218 0.000 1.231 7 F CA -1.256 56.621 58.000 -0.205 0.000 1.207 7 F CB 0.278 38.996 39.000 -0.471 0.000 1.703 7 F HN 0.166 nan 8.300 nan 0.000 0.610 8 N N 5.282 123.760 118.700 -0.371 0.000 2.843 8 N HA 0.105 4.843 4.740 -0.004 0.000 0.284 8 N C -0.659 174.572 175.510 -0.464 0.000 1.274 8 N CA 0.149 52.989 53.050 -0.351 0.000 1.045 8 N CB 0.093 38.469 38.487 -0.185 0.000 1.370 8 N HN 0.461 nan 8.380 nan 0.000 0.525 9 K N 0.286 120.199 120.400 -0.810 0.000 2.466 9 K HA 0.469 4.786 4.320 -0.004 0.000 0.260 9 K C -2.905 173.476 176.600 -0.364 0.000 1.011 9 K CA -1.910 54.032 56.287 -0.575 0.000 0.871 9 K CB 1.189 33.284 32.500 -0.674 0.000 1.404 9 K HN -0.067 nan 8.250 nan 0.000 0.450 10 P HA 0.014 nan 4.420 nan 0.000 0.267 10 P C -0.982 176.409 177.300 0.150 0.000 1.200 10 P CA 0.269 63.367 63.100 -0.002 0.000 0.772 10 P CB 0.426 32.096 31.700 -0.049 0.000 0.855 11 K N 0.443 120.909 120.400 0.110 0.000 2.466 11 K HA 0.722 5.039 4.320 -0.004 0.000 0.260 11 K C -1.363 175.330 176.600 0.156 0.000 1.011 11 K CA -1.110 55.297 56.287 0.200 0.000 0.871 11 K CB 1.824 34.411 32.500 0.145 0.000 1.404 11 K HN 0.016 nan 8.250 nan 0.000 0.450 12 V N 0.937 120.967 119.914 0.193 0.000 2.588 12 V HA 0.315 4.433 4.120 -0.004 0.000 0.304 12 V C -0.930 175.263 176.094 0.165 0.000 1.042 12 V CA -0.688 61.722 62.300 0.183 0.000 0.877 12 V CB 1.666 33.606 31.823 0.196 0.000 0.996 12 V HN 0.806 nan 8.190 nan 0.000 0.425 13 E N 3.373 123.640 120.200 0.113 0.000 2.191 13 E HA 0.454 4.801 4.350 -0.004 0.000 0.263 13 E C -0.641 176.006 176.600 0.079 0.000 0.881 13 E CA -0.656 55.819 56.400 0.124 0.000 0.757 13 E CB 1.648 31.424 29.700 0.127 0.000 1.147 13 E HN 0.474 nan 8.360 nan 0.000 0.414 14 L N 3.045 124.332 121.223 0.107 0.000 2.609 14 L HA 0.217 4.555 4.340 -0.004 0.000 0.230 14 L C 0.152 177.070 176.870 0.080 0.000 1.087 14 L CA 0.570 55.439 54.840 0.048 0.000 0.874 14 L CB -0.424 41.633 42.059 -0.002 0.000 1.114 14 L HN 0.619 nan 8.230 nan 0.000 0.488 15 H N -0.413 118.682 119.070 0.042 0.000 2.866 15 H HA 0.606 5.159 4.556 -0.004 0.000 0.287 15 H C -1.482 173.900 175.328 0.090 0.000 1.106 15 H CA -0.282 55.773 56.048 0.011 0.000 1.396 15 H CB 1.273 31.013 29.762 -0.037 0.000 1.469 15 H HN -0.188 nan 8.280 nan 0.000 0.500 16 V N 6.033 126.036 119.914 0.149 0.000 2.852 16 V HA 0.224 4.342 4.120 -0.004 0.000 0.300 16 V C -1.338 174.825 176.094 0.115 0.000 1.205 16 V CA -0.592 61.881 62.300 0.287 0.000 0.940 16 V CB 1.778 33.831 31.823 0.384 0.000 1.047 16 V HN 0.845 nan 8.190 nan 0.000 0.429 17 H N 6.414 125.655 119.070 0.286 0.000 2.620 17 H HA 0.225 4.779 4.556 -0.005 0.000 0.313 17 H C 0.723 176.148 175.328 0.162 0.000 1.075 17 H CA -0.047 56.148 56.048 0.245 0.000 1.397 17 H CB 2.239 32.229 29.762 0.381 0.000 1.446 17 H HN 0.688 nan 8.280 nan 0.000 0.493 18 L N 3.661 124.962 121.223 0.130 0.000 2.012 18 L HA -0.208 4.129 4.340 -0.004 0.000 0.210 18 L C 1.856 178.816 176.870 0.149 0.000 1.073 18 L CA 1.983 56.795 54.840 -0.048 0.000 0.748 18 L CB -0.455 41.492 42.059 -0.187 0.000 0.891 18 L HN 0.701 nan 8.230 nan 0.000 0.431 19 D N -1.431 119.144 120.400 0.291 0.000 2.371 19 D HA -0.040 4.597 4.640 -0.004 0.000 0.221 19 D C 1.739 178.317 176.300 0.464 0.000 0.986 19 D CA 0.952 55.185 54.000 0.390 0.000 0.899 19 D CB -0.741 40.345 40.800 0.477 0.000 0.902 19 D HN 0.429 nan 8.370 nan 0.000 0.530 20 G N -0.748 108.309 108.800 0.428 0.000 3.337 20 G HA2 0.410 4.367 3.960 -0.004 0.000 0.246 20 G HA3 0.410 4.367 3.960 -0.004 0.000 0.246 20 G C 0.570 175.559 174.900 0.149 0.000 1.131 20 G CA 0.041 45.286 45.100 0.241 0.000 0.773 20 G HN 0.423 nan 8.290 nan 0.000 0.544 21 A N 0.620 123.544 122.820 0.174 0.000 3.045 21 A HA 0.611 4.929 4.320 -0.004 0.000 0.244 21 A C -0.191 177.483 177.584 0.150 0.000 0.917 21 A CA -0.380 51.778 52.037 0.202 0.000 1.075 21 A CB -0.039 19.211 19.000 0.417 0.000 1.202 21 A HN 0.188 nan 8.150 nan 0.000 0.486 22 I N 1.032 121.613 120.570 0.018 0.000 2.437 22 I HA 0.240 4.407 4.170 -0.004 0.000 0.298 22 I C 0.108 176.195 176.117 -0.050 0.000 0.984 22 I CA -0.783 60.514 61.300 -0.005 0.000 1.214 22 I CB 1.730 39.689 38.000 -0.069 0.000 1.365 22 I HN 0.226 nan 8.210 nan 0.000 0.469 23 K N 6.928 127.327 120.400 -0.003 0.000 2.448 23 K HA 0.091 4.409 4.320 -0.004 0.000 0.278 23 K C -1.626 174.943 176.600 -0.052 0.000 1.009 23 K CA -1.155 55.118 56.287 -0.023 0.000 0.995 23 K CB 0.481 32.983 32.500 0.003 0.000 0.917 23 K HN 0.365 nan 8.250 nan 0.000 0.481 24 P HA -0.172 nan 4.420 nan 0.000 0.218 24 P C 0.429 177.712 177.300 -0.029 0.000 1.149 24 P CA 1.409 64.461 63.100 -0.080 0.000 0.817 24 P CB 0.317 31.973 31.700 -0.074 0.000 0.785 25 E N -0.339 119.854 120.200 -0.012 0.000 2.118 25 E HA -0.115 4.232 4.350 -0.004 0.000 0.195 25 E C 2.114 178.743 176.600 0.049 0.000 0.992 25 E CA 1.748 58.152 56.400 0.006 0.000 0.804 25 E CB -1.294 28.398 29.700 -0.012 0.000 0.741 25 E HN 0.247 nan 8.360 nan 0.000 0.458 26 T N 0.302 114.899 114.554 0.073 0.000 2.942 26 T HA 0.018 4.365 4.350 -0.004 0.000 0.265 26 T C 1.868 176.722 174.700 0.258 0.000 1.062 26 T CA 0.575 62.782 62.100 0.179 0.000 1.139 26 T CB -0.137 68.857 68.868 0.210 0.000 0.883 26 T HN 0.064 nan 8.240 nan 0.000 0.468 27 I N 0.637 121.292 120.570 0.141 0.000 2.179 27 I HA -0.129 4.038 4.170 -0.004 0.000 0.242 27 I C 2.193 178.374 176.117 0.107 0.000 1.088 27 I CA 0.787 62.159 61.300 0.120 0.000 1.357 27 I CB -0.215 37.776 38.000 -0.015 0.000 1.051 27 I HN 0.164 nan 8.210 nan 0.000 0.409 28 L N -0.039 121.222 121.223 0.064 0.000 2.046 28 L HA -0.253 4.085 4.340 -0.004 0.000 0.208 28 L C 2.426 179.322 176.870 0.044 0.000 1.077 28 L CA 1.904 56.769 54.840 0.041 0.000 0.747 28 L CB -1.230 40.843 42.059 0.024 0.000 0.896 28 L HN 0.303 nan 8.230 nan 0.000 0.432 29 Y N -0.955 119.297 120.300 -0.081 0.000 2.145 29 Y HA -0.275 4.272 4.550 -0.004 0.000 0.286 29 Y C 2.237 177.998 175.900 -0.232 0.000 1.145 29 Y CA 1.685 59.667 58.100 -0.196 0.000 1.148 29 Y CB -0.624 37.647 38.460 -0.315 0.000 0.981 29 Y HN 0.141 nan 8.280 nan 0.000 0.507 30 F N 0.170 120.008 119.950 -0.188 0.000 2.259 30 F HA 0.085 4.610 4.527 -0.004 0.000 0.298 30 F C 2.599 178.286 175.800 -0.189 0.000 1.088 30 F CA 1.248 59.071 58.000 -0.295 0.000 1.358 30 F CB -0.981 37.942 39.000 -0.129 0.000 1.040 30 F HN 0.141 nan 8.300 nan 0.000 0.505 31 G N -0.083 108.741 108.800 0.041 0.000 2.421 31 G HA2 -0.238 3.719 3.960 -0.004 0.000 0.216 31 G HA3 -0.238 3.719 3.960 -0.004 0.000 0.216 31 G C 1.761 176.644 174.900 -0.027 0.000 1.171 31 G CA 0.722 45.833 45.100 0.019 0.000 0.775 31 G HN 0.232 nan 8.290 nan 0.000 0.543 32 K N 0.212 120.573 120.400 -0.064 0.000 2.009 32 K HA -0.067 4.250 4.320 -0.004 0.000 0.210 32 K C 2.454 178.984 176.600 -0.116 0.000 1.049 32 K CA 1.509 57.750 56.287 -0.077 0.000 0.929 32 K CB -0.168 32.291 32.500 -0.068 0.000 0.714 32 K HN 0.260 nan 8.250 nan 0.000 0.440 33 K N 0.943 121.198 120.400 -0.242 0.000 2.097 33 K HA -0.140 4.177 4.320 -0.004 0.000 0.206 33 K C 1.784 178.324 176.600 -0.101 0.000 1.049 33 K CA 1.373 57.514 56.287 -0.242 0.000 0.933 33 K CB 0.138 32.322 32.500 -0.527 0.000 0.717 33 K HN 0.055 nan 8.250 nan 0.000 0.442 34 R N -1.135 119.335 120.500 -0.051 0.000 2.280 34 R HA 0.109 4.447 4.340 -0.004 0.000 0.195 34 R C 0.751 177.048 176.300 -0.006 0.000 0.935 34 R CA 0.538 56.635 56.100 -0.005 0.000 1.033 34 R CB 0.526 30.841 30.300 0.024 0.000 0.964 34 R HN 0.376 nan 8.270 nan 0.000 0.489 35 G N 1.955 110.747 108.800 -0.014 0.000 2.225 35 G HA2 -0.262 3.696 3.960 -0.004 0.000 0.264 35 G HA3 -0.262 3.696 3.960 -0.004 0.000 0.264 35 G C -0.068 174.836 174.900 0.007 0.000 1.060 35 G CA -0.083 45.014 45.100 -0.005 0.000 0.833 35 G HN 0.213 nan 8.290 nan 0.000 0.498 36 I N 0.652 121.228 120.570 0.010 0.000 2.460 36 I HA 0.635 4.802 4.170 -0.004 0.000 0.298 36 I C 0.939 177.069 176.117 0.021 0.000 0.989 36 I CA -0.696 60.614 61.300 0.018 0.000 1.173 36 I CB 1.835 39.846 38.000 0.017 0.000 1.338 36 I HN 0.317 nan 8.210 nan 0.000 0.456 37 A N 6.993 129.830 122.820 0.027 0.000 2.407 37 A HA 0.631 4.949 4.320 -0.004 0.000 0.248 37 A C -0.506 177.102 177.584 0.040 0.000 1.082 37 A CA 0.061 52.117 52.037 0.031 0.000 0.785 37 A CB 0.275 19.297 19.000 0.037 0.000 1.020 37 A HN 0.668 nan 8.150 nan 0.000 0.489 38 L N 2.356 123.599 121.223 0.033 0.000 2.301 38 L HA 0.496 4.833 4.340 -0.004 0.000 0.264 38 L C -1.346 175.533 176.870 0.014 0.000 1.016 38 L CA -1.723 53.139 54.840 0.036 0.000 0.821 38 L CB 2.476 44.548 42.059 0.022 0.000 1.346 38 L HN 0.600 nan 8.230 nan 0.000 0.429 39 P HA 0.168 nan 4.420 nan 0.000 0.249 39 P C -0.458 176.786 177.300 -0.093 0.000 1.229 39 P CA 0.380 63.433 63.100 -0.077 0.000 0.788 39 P CB 0.672 32.202 31.700 -0.285 0.000 1.072 40 A N -0.445 122.333 122.820 -0.070 0.000 2.599 40 A HA 0.551 4.869 4.320 -0.004 0.000 0.290 40 A C -0.591 176.974 177.584 -0.031 0.000 1.101 40 A CA -0.469 51.535 52.037 -0.055 0.000 0.674 40 A CB 0.594 19.549 19.000 -0.075 0.000 1.277 40 A HN -0.171 nan 8.150 nan 0.000 0.419 41 D N -0.074 120.312 120.400 -0.024 0.000 2.520 41 D HA 0.150 4.787 4.640 -0.004 0.000 0.223 41 D C 0.200 176.493 176.300 -0.012 0.000 1.186 41 D CA 1.202 55.194 54.000 -0.014 0.000 0.821 41 D CB 1.106 41.900 40.800 -0.009 0.000 1.072 41 D HN 0.769 nan 8.370 nan 0.000 0.518 42 T N -1.891 112.652 114.554 -0.017 0.000 2.924 42 T HA 0.328 4.675 4.350 -0.004 0.000 0.291 42 T C 1.434 176.121 174.700 -0.021 0.000 1.045 42 T CA -0.632 61.458 62.100 -0.015 0.000 1.015 42 T CB 2.373 71.233 68.868 -0.014 0.000 1.103 42 T HN -0.198 nan 8.240 nan 0.000 0.496 43 V N 0.058 119.961 119.914 -0.019 0.000 2.515 43 V HA -0.037 4.081 4.120 -0.004 0.000 0.250 43 V C 2.170 178.249 176.094 -0.024 0.000 1.058 43 V CA 2.166 64.452 62.300 -0.024 0.000 1.064 43 V CB -1.053 30.757 31.823 -0.021 0.000 0.675 43 V HN 1.041 nan 8.190 nan 0.000 0.461 44 E N -0.268 119.922 120.200 -0.018 0.000 2.038 44 E HA -0.277 4.071 4.350 -0.004 0.000 0.195 44 E C 2.292 178.881 176.600 -0.019 0.000 1.000 44 E CA 1.635 58.026 56.400 -0.014 0.000 0.803 44 E CB -0.139 29.556 29.700 -0.008 0.000 0.750 44 E HN 0.619 nan 8.360 nan 0.000 0.448 45 E N 0.452 120.637 120.200 -0.025 0.000 2.150 45 E HA -0.140 4.207 4.350 -0.004 0.000 0.193 45 E C 1.991 178.555 176.600 -0.059 0.000 0.985 45 E CA 0.328 56.707 56.400 -0.036 0.000 0.814 45 E CB -0.208 29.471 29.700 -0.035 0.000 0.752 45 E HN 0.218 nan 8.360 nan 0.000 0.466 46 L N 0.810 121.997 121.223 -0.060 0.000 2.056 46 L HA -0.100 4.238 4.340 -0.004 0.000 0.207 46 L C 2.262 179.085 176.870 -0.078 0.000 1.078 46 L CA 1.585 56.375 54.840 -0.083 0.000 0.749 46 L CB -0.232 41.787 42.059 -0.066 0.000 0.901 46 L HN -0.029 nan 8.230 nan 0.000 0.433 47 R N -0.569 119.901 120.500 -0.049 0.000 2.083 47 R HA -0.167 4.170 4.340 -0.004 0.000 0.237 47 R C 1.958 178.254 176.300 -0.006 0.000 1.137 47 R CA 1.612 57.698 56.100 -0.024 0.000 0.951 47 R CB -0.559 29.738 30.300 -0.004 0.000 0.851 47 R HN 0.444 nan 8.270 nan 0.000 0.434 48 N N 0.488 119.181 118.700 -0.012 0.000 2.223 48 N HA -0.110 4.627 4.740 -0.004 0.000 0.185 48 N C 1.712 177.212 175.510 -0.016 0.000 1.016 48 N CA 1.140 54.192 53.050 0.003 0.000 0.863 48 N CB -0.064 38.423 38.487 -0.001 0.000 0.983 48 N HN 0.249 nan 8.380 nan 0.000 0.429 49 I N -0.100 120.420 120.570 -0.083 0.000 2.494 49 I HA -0.016 4.151 4.170 -0.004 0.000 0.250 49 I C 1.753 177.788 176.117 -0.136 0.000 1.112 49 I CA 0.572 61.770 61.300 -0.169 0.000 1.438 49 I CB 0.090 37.873 38.000 -0.362 0.000 1.111 49 I HN -0.005 nan 8.210 nan 0.000 0.431 50 I N 0.340 120.854 120.570 -0.093 0.000 2.500 50 I HA -0.015 4.152 4.170 -0.004 0.000 0.252 50 I C 1.630 177.811 176.117 0.107 0.000 1.142 50 I CA 0.277 61.619 61.300 0.071 0.000 1.451 50 I CB -0.538 37.483 38.000 0.036 0.000 1.093 50 I HN 0.164 nan 8.210 nan 0.000 0.430 51 G N 0.365 109.210 108.800 0.075 0.000 2.543 51 G HA2 0.533 4.490 3.960 -0.004 0.000 0.290 51 G HA3 0.533 4.490 3.960 -0.004 0.000 0.290 51 G C -0.679 174.324 174.900 0.171 0.000 1.310 51 G CA -0.352 44.823 45.100 0.126 0.000 1.025 51 G HN 0.026 nan 8.290 nan 0.000 0.502 52 M N -0.619 119.116 119.600 0.225 0.000 2.284 52 M HA 0.301 4.778 4.480 -0.004 0.000 0.281 52 M C -0.987 175.450 176.300 0.227 0.000 1.083 52 M CA -0.531 54.907 55.300 0.231 0.000 0.965 52 M CB 2.370 35.166 32.600 0.325 0.000 1.717 52 M HN 0.491 nan 8.290 nan 0.000 0.479 53 D N 1.500 122.002 120.400 0.170 0.000 2.470 53 D HA 0.191 4.829 4.640 -0.004 0.000 0.238 53 D C -0.367 176.022 176.300 0.149 0.000 1.054 53 D CA 0.683 54.798 54.000 0.192 0.000 0.896 53 D CB 0.782 41.676 40.800 0.157 0.000 1.118 53 D HN 0.283 nan 8.370 nan 0.000 0.497 54 K N 0.992 121.424 120.400 0.054 0.000 2.375 54 K HA 0.420 4.738 4.320 -0.004 0.000 0.249 54 K C -2.956 173.549 176.600 -0.159 0.000 0.942 54 K CA -2.146 54.125 56.287 -0.026 0.000 0.806 54 K CB 1.893 34.400 32.500 0.012 0.000 1.227 54 K HN -0.268 nan 8.250 nan 0.000 0.430 55 P HA 0.124 nan 4.420 nan 0.000 0.265 55 P C -0.684 176.520 177.300 -0.161 0.000 1.193 55 P CA 0.118 62.994 63.100 -0.372 0.000 0.765 55 P CB 0.493 31.904 31.700 -0.482 0.000 0.823 56 L N 0.953 122.122 121.223 -0.091 0.000 2.271 56 L HA 0.480 4.818 4.340 -0.004 0.000 0.265 56 L C 0.913 177.777 176.870 -0.010 0.000 1.013 56 L CA -0.903 53.932 54.840 -0.009 0.000 0.820 56 L CB 1.451 43.560 42.059 0.083 0.000 1.352 56 L HN 0.343 nan 8.230 nan 0.000 0.443 57 S N -0.200 115.511 115.700 0.019 0.000 2.606 57 S HA 0.069 4.537 4.470 -0.004 0.000 0.257 57 S C 0.760 175.414 174.600 0.091 0.000 1.327 57 S CA -0.372 57.843 58.200 0.026 0.000 0.984 57 S CB 0.601 63.815 63.200 0.023 0.000 0.941 57 S HN 0.529 nan 8.310 nan 0.000 0.576 58 L N 1.402 122.673 121.223 0.079 0.000 2.027 58 L HA 0.164 4.502 4.340 -0.004 0.000 0.206 58 L C -1.069 175.917 176.870 0.192 0.000 1.074 58 L CA 1.595 56.529 54.840 0.158 0.000 0.745 58 L CB -1.699 40.414 42.059 0.090 0.000 0.898 58 L HN 0.543 nan 8.230 nan 0.000 0.433 59 P HA -0.060 nan 4.420 nan 0.000 0.218 59 P C 1.588 178.922 177.300 0.057 0.000 1.149 59 P CA 1.575 64.707 63.100 0.054 0.000 0.817 59 P CB -0.319 31.390 31.700 0.015 0.000 0.785 60 G N -0.582 108.268 108.800 0.082 0.000 2.418 60 G HA2 -0.284 3.674 3.960 -0.004 0.000 0.217 60 G HA3 -0.284 3.674 3.960 -0.004 0.000 0.217 60 G C 1.407 176.386 174.900 0.132 0.000 1.158 60 G CA 0.368 45.517 45.100 0.083 0.000 0.771 60 G HN 0.258 nan 8.290 nan 0.000 0.545 61 F N 1.142 121.137 119.950 0.076 0.000 2.134 61 F HA 0.013 4.537 4.527 -0.005 0.000 0.299 61 F C 2.326 178.239 175.800 0.187 0.000 1.097 61 F CA 1.230 59.313 58.000 0.138 0.000 1.264 61 F CB -0.125 38.975 39.000 0.167 0.000 1.001 61 F HN 0.044 nan 8.300 nan 0.000 0.479 62 L N 0.331 121.448 121.223 -0.177 0.000 2.141 62 L HA -0.142 4.196 4.340 -0.004 0.000 0.209 62 L C 2.789 179.605 176.870 -0.089 0.000 1.094 62 L CA 0.901 55.602 54.840 -0.231 0.000 0.763 62 L CB -1.097 40.905 42.059 -0.096 0.000 0.908 62 L HN 0.301 nan 8.230 nan 0.000 0.437 63 A N -0.360 122.412 122.820 -0.081 0.000 2.125 63 A HA -0.166 4.151 4.320 -0.004 0.000 0.219 63 A C 2.188 179.668 177.584 -0.174 0.000 1.156 63 A CA 1.186 53.163 52.037 -0.100 0.000 0.671 63 A CB -0.255 18.683 19.000 -0.103 0.000 0.794 63 A HN 0.207 nan 8.150 nan 0.000 0.459 64 K N -0.838 119.479 120.400 -0.138 0.000 2.211 64 K HA -0.071 4.247 4.320 -0.004 0.000 0.203 64 K C 1.355 177.836 176.600 -0.198 0.000 1.050 64 K CA 0.906 57.124 56.287 -0.115 0.000 0.945 64 K CB -0.526 31.947 32.500 -0.045 0.000 0.732 64 K HN 0.578 nan 8.250 nan 0.000 0.451 65 F N 2.301 122.030 119.950 -0.369 0.000 2.216 65 F HA -0.159 4.366 4.527 -0.003 0.000 0.300 65 F C 1.734 177.113 175.800 -0.702 0.000 1.085 65 F CA 1.234 58.849 58.000 -0.641 0.000 1.326 65 F CB -0.297 38.500 39.000 -0.337 0.000 1.027 65 F HN 0.050 nan 8.300 nan 0.000 0.497 66 D N -1.097 119.181 120.400 -0.204 0.000 2.263 66 D HA -0.205 4.433 4.640 -0.004 0.000 0.208 66 D C 1.957 178.093 176.300 -0.274 0.000 0.971 66 D CA 1.038 54.931 54.000 -0.178 0.000 0.867 66 D CB -0.589 40.199 40.800 -0.021 0.000 0.929 66 D HN 0.262 nan 8.370 nan 0.000 0.492 67 Y N -0.034 120.148 120.300 -0.197 0.000 2.207 67 Y HA -0.222 4.325 4.550 -0.004 0.000 0.287 67 Y C 2.019 177.873 175.900 -0.078 0.000 1.156 67 Y CA 0.980 59.032 58.100 -0.079 0.000 1.182 67 Y CB -0.599 37.881 38.460 0.033 0.000 0.979 67 Y HN 0.268 nan 8.280 nan 0.000 0.521 68 Y N -6.060 114.214 120.300 -0.045 0.000 2.441 68 Y HA 0.268 4.816 4.550 -0.004 0.000 0.266 68 Y C 1.717 177.463 175.900 -0.255 0.000 1.093 68 Y CA -0.263 57.770 58.100 -0.112 0.000 1.246 68 Y CB -0.783 37.630 38.460 -0.080 0.000 1.262 68 Y HN -0.224 nan 8.280 nan 0.000 0.518 69 M N 1.561 120.704 119.600 -0.761 0.000 2.144 69 M HA -0.063 4.414 4.480 -0.004 0.000 0.260 69 M C -0.887 174.960 176.300 -0.756 0.000 1.067 69 M CA 1.475 56.269 55.300 -0.843 0.000 1.095 69 M CB -2.038 29.603 32.600 -1.598 0.000 1.365 69 M HN 0.229 nan 8.290 nan 0.000 0.406 70 P HA -0.091 nan 4.420 nan 0.000 0.220 70 P C 1.675 178.883 177.300 -0.152 0.000 1.148 70 P CA 1.118 64.018 63.100 -0.333 0.000 0.803 70 P CB -0.327 31.288 31.700 -0.141 0.000 0.782 71 V N -4.216 115.637 119.914 -0.102 0.000 3.129 71 V HA -0.046 4.072 4.120 -0.004 0.000 0.259 71 V C 1.697 177.747 176.094 -0.073 0.000 1.116 71 V CA 1.286 63.570 62.300 -0.027 0.000 1.127 71 V CB -0.986 30.868 31.823 0.050 0.000 0.742 71 V HN -0.043 nan 8.190 nan 0.000 0.474 72 I N 1.259 121.760 120.570 -0.114 0.000 2.556 72 I HA 0.340 4.508 4.170 -0.004 0.000 0.251 72 I C 1.789 177.813 176.117 -0.156 0.000 1.105 72 I CA 0.810 62.010 61.300 -0.167 0.000 1.436 72 I CB -1.327 36.619 38.000 -0.089 0.000 1.139 72 I HN 0.358 nan 8.210 nan 0.000 0.438 73 A N 0.924 123.669 122.820 -0.125 0.000 2.540 73 A HA 0.367 4.685 4.320 -0.004 0.000 0.239 73 A C 1.483 179.059 177.584 -0.015 0.000 1.061 73 A CA 0.891 52.912 52.037 -0.026 0.000 0.758 73 A CB -0.486 18.565 19.000 0.085 0.000 0.991 73 A HN 0.853 nan 8.150 nan 0.000 0.502 74 G N 0.049 108.847 108.800 -0.004 0.000 2.162 74 G HA2 -0.217 3.740 3.960 -0.004 0.000 0.260 74 G HA3 -0.217 3.740 3.960 -0.004 0.000 0.260 74 G C 0.359 175.233 174.900 -0.043 0.000 0.976 74 G CA 0.496 45.591 45.100 -0.008 0.000 0.655 74 G HN 1.894 nan 8.290 nan 0.000 0.533 75 C N 1.241 120.485 119.300 -0.094 0.000 2.321 75 C HA 0.685 5.142 4.460 -0.004 0.000 0.323 75 C C 1.953 176.852 174.990 -0.151 0.000 1.191 75 C CA -0.514 58.426 59.018 -0.130 0.000 1.455 75 C CB -0.068 27.546 27.740 -0.210 0.000 2.083 75 C HN 0.511 nan 8.230 nan 0.000 0.442 76 R N 1.719 122.168 120.500 -0.085 0.000 2.073 76 R HA -0.146 4.191 4.340 -0.004 0.000 0.234 76 R C 2.093 178.348 176.300 -0.074 0.000 1.134 76 R CA 1.908 57.967 56.100 -0.069 0.000 0.952 76 R CB -0.107 30.174 30.300 -0.032 0.000 0.850 76 R HN 0.842 nan 8.270 nan 0.000 0.433 77 E N 0.638 120.811 120.200 -0.045 0.000 2.077 77 E HA -0.194 4.153 4.350 -0.004 0.000 0.193 77 E C 1.872 178.421 176.600 -0.085 0.000 0.989 77 E CA 1.256 57.670 56.400 0.023 0.000 0.800 77 E CB 0.003 29.804 29.700 0.168 0.000 0.746 77 E HN 0.368 nan 8.360 nan 0.000 0.452 78 A N 0.728 123.278 122.820 -0.450 0.000 1.929 78 A HA -0.095 4.222 4.320 -0.004 0.000 0.216 78 A C 2.108 179.492 177.584 -0.332 0.000 1.176 78 A CA 0.893 52.414 52.037 -0.860 0.000 0.628 78 A CB -0.399 17.725 19.000 -1.460 0.000 0.816 78 A HN 0.281 nan 8.150 nan 0.000 0.444 79 I N -0.614 119.816 120.570 -0.233 0.000 2.202 79 I HA -0.217 3.951 4.170 -0.004 0.000 0.242 79 I C 2.495 178.548 176.117 -0.105 0.000 1.091 79 I CA 1.702 62.904 61.300 -0.163 0.000 1.368 79 I CB -0.136 37.775 38.000 -0.148 0.000 1.058 79 I HN 0.324 nan 8.210 nan 0.000 0.410 80 K N 0.839 121.200 120.400 -0.066 0.000 2.097 80 K HA -0.245 4.072 4.320 -0.004 0.000 0.206 80 K C 2.334 178.976 176.600 0.070 0.000 1.049 80 K CA 1.347 57.631 56.287 -0.005 0.000 0.933 80 K CB 0.027 32.529 32.500 0.002 0.000 0.717 80 K HN -0.024 nan 8.250 nan 0.000 0.442 81 R N 1.638 122.189 120.500 0.084 0.000 2.073 81 R HA -0.110 4.227 4.340 -0.004 0.000 0.234 81 R C 2.194 178.617 176.300 0.205 0.000 1.134 81 R CA 1.942 58.152 56.100 0.183 0.000 0.952 81 R CB -0.642 29.830 30.300 0.288 0.000 0.850 81 R HN 0.499 nan 8.270 nan 0.000 0.433 82 I N -1.891 118.751 120.570 0.120 0.000 2.454 82 I HA -0.026 4.141 4.170 -0.004 0.000 0.254 82 I C 2.045 178.243 176.117 0.135 0.000 1.156 82 I CA 1.610 62.980 61.300 0.117 0.000 1.433 82 I CB -0.492 37.539 38.000 0.052 0.000 1.082 82 I HN 0.150 nan 8.210 nan 0.000 0.432 83 A N 0.887 123.765 122.820 0.096 0.000 1.872 83 A HA -0.180 4.138 4.320 -0.004 0.000 0.214 83 A C 2.355 180.073 177.584 0.224 0.000 1.187 83 A CA 1.489 53.589 52.037 0.105 0.000 0.614 83 A CB -1.257 17.752 19.000 0.014 0.000 0.826 83 A HN 0.628 nan 8.150 nan 0.000 0.442 84 Y N 0.994 121.369 120.300 0.125 0.000 2.081 84 Y HA -0.256 4.292 4.550 -0.004 0.000 0.280 84 Y C 2.246 178.245 175.900 0.164 0.000 1.163 84 Y CA 2.453 60.657 58.100 0.173 0.000 1.135 84 Y CB -0.301 38.252 38.460 0.156 0.000 0.970 84 Y HN 0.464 nan 8.280 nan 0.000 0.498 85 E N -0.768 119.577 120.200 0.242 0.000 2.153 85 E HA -0.212 4.135 4.350 -0.004 0.000 0.194 85 E C 1.942 178.515 176.600 -0.044 0.000 0.988 85 E CA 1.045 57.489 56.400 0.073 0.000 0.811 85 E CB -0.429 29.366 29.700 0.158 0.000 0.746 85 E HN 0.557 nan 8.360 nan 0.000 0.466 86 F N 1.251 121.160 119.950 -0.069 0.000 2.095 86 F HA -0.251 4.273 4.527 -0.004 0.000 0.298 86 F C 2.073 177.777 175.800 -0.160 0.000 1.104 86 F CA 1.238 59.188 58.000 -0.084 0.000 1.232 86 F CB -0.302 38.679 39.000 -0.032 0.000 0.987 86 F HN -0.205 nan 8.300 nan 0.000 0.475 87 V N 0.552 120.394 119.914 -0.120 0.000 2.332 87 V HA -0.334 3.784 4.120 -0.004 0.000 0.248 87 V C 2.368 178.104 176.094 -0.597 0.000 1.055 87 V CA 2.228 64.376 62.300 -0.253 0.000 1.038 87 V CB -0.970 30.836 31.823 -0.029 0.000 0.651 87 V HN 0.457 nan 8.190 nan 0.000 0.450 88 E N 0.068 119.701 120.200 -0.945 0.000 2.048 88 E HA -0.306 4.042 4.350 -0.004 0.000 0.202 88 E C 2.233 178.390 176.600 -0.738 0.000 1.021 88 E CA 2.345 57.920 56.400 -1.375 0.000 0.825 88 E CB -0.223 28.769 29.700 -1.180 0.000 0.756 88 E HN 0.572 nan 8.360 nan 0.000 0.454 89 M N 0.205 119.486 119.600 -0.532 0.000 2.082 89 M HA -0.202 4.275 4.480 -0.004 0.000 0.258 89 M C 2.303 178.359 176.300 -0.408 0.000 1.069 89 M CA 1.503 56.566 55.300 -0.394 0.000 1.102 89 M CB -0.202 32.205 32.600 -0.323 0.000 1.336 89 M HN -0.056 nan 8.290 nan 0.000 0.404 90 K N 0.532 120.605 120.400 -0.544 0.000 2.057 90 K HA 0.011 4.329 4.320 -0.004 0.000 0.206 90 K C 2.206 178.636 176.600 -0.284 0.000 1.050 90 K CA 1.566 57.596 56.287 -0.428 0.000 0.935 90 K CB -0.959 31.219 32.500 -0.537 0.000 0.715 90 K HN 0.352 nan 8.250 nan 0.000 0.439 91 A N 1.943 124.585 122.820 -0.295 0.000 1.884 91 A HA -0.270 4.047 4.320 -0.004 0.000 0.219 91 A C 2.199 179.678 177.584 -0.174 0.000 1.197 91 A CA 2.363 54.286 52.037 -0.191 0.000 0.637 91 A CB -0.573 18.323 19.000 -0.174 0.000 0.827 91 A HN 0.292 nan 8.150 nan 0.000 0.450 92 K N -0.418 119.847 120.400 -0.225 0.000 2.211 92 K HA -0.137 4.180 4.320 -0.004 0.000 0.204 92 K C 1.635 178.144 176.600 -0.151 0.000 1.047 92 K CA 1.572 57.756 56.287 -0.171 0.000 0.935 92 K CB -0.106 32.282 32.500 -0.185 0.000 0.728 92 K HN 0.675 nan 8.250 nan 0.000 0.452 93 E N -1.115 118.984 120.200 -0.168 0.000 2.489 93 E HA 0.040 4.388 4.350 -0.004 0.000 0.193 93 E C 0.603 177.112 176.600 -0.151 0.000 1.057 93 E CA 0.339 56.648 56.400 -0.153 0.000 0.866 93 E CB 0.458 30.068 29.700 -0.150 0.000 0.916 93 E HN 0.452 nan 8.360 nan 0.000 0.500 94 G N 1.275 109.994 108.800 -0.135 0.000 2.143 94 G HA2 -0.276 3.682 3.960 -0.004 0.000 0.248 94 G HA3 -0.276 3.682 3.960 -0.004 0.000 0.248 94 G C 0.327 175.173 174.900 -0.091 0.000 0.991 94 G CA 0.133 45.161 45.100 -0.119 0.000 0.689 94 G HN 0.168 nan 8.290 nan 0.000 0.522 95 V N 1.065 120.927 119.914 -0.086 0.000 2.521 95 V HA 0.306 4.423 4.120 -0.004 0.000 0.286 95 V C 1.806 177.889 176.094 -0.020 0.000 1.034 95 V CA 0.496 62.770 62.300 -0.043 0.000 1.045 95 V CB 1.403 33.185 31.823 -0.069 0.000 0.974 95 V HN 0.912 nan 8.190 nan 0.000 0.480 96 V N 2.456 122.387 119.914 0.029 0.000 3.523 96 V HA 0.350 4.467 4.120 -0.004 0.000 0.255 96 V C 0.122 176.302 176.094 0.144 0.000 1.226 96 V CA 0.321 62.654 62.300 0.055 0.000 1.092 96 V CB -0.291 31.549 31.823 0.029 0.000 0.817 96 V HN 0.665 nan 8.190 nan 0.000 0.458 97 Y N 0.075 120.383 120.300 0.013 0.000 2.433 97 Y HA 0.750 5.297 4.550 -0.005 0.000 0.337 97 Y C -1.228 174.704 175.900 0.054 0.000 1.026 97 Y CA -1.290 56.829 58.100 0.032 0.000 1.037 97 Y CB 2.178 40.648 38.460 0.018 0.000 1.245 97 Y HN -0.007 nan 8.280 nan 0.000 0.443 98 V N 6.013 125.525 119.914 -0.670 0.000 2.808 98 V HA 0.521 4.638 4.120 -0.004 0.000 0.308 98 V C -1.515 174.233 176.094 -0.575 0.000 1.099 98 V CA -0.505 61.534 62.300 -0.436 0.000 0.920 98 V CB 2.108 33.907 31.823 -0.040 0.000 1.014 98 V HN 0.876 nan 8.190 nan 0.000 0.425 99 E N 4.358 124.332 120.200 -0.377 0.000 2.174 99 E HA 0.538 4.885 4.350 -0.004 0.000 0.282 99 E C -1.032 175.535 176.600 -0.056 0.000 0.992 99 E CA -0.404 55.895 56.400 -0.168 0.000 0.803 99 E CB 2.372 32.040 29.700 -0.054 0.000 1.090 99 E HN 0.515 nan 8.360 nan 0.000 0.396 100 V N 4.056 123.933 119.914 -0.061 0.000 2.628 100 V HA 0.507 4.624 4.120 -0.004 0.000 0.306 100 V C -0.713 175.344 176.094 -0.061 0.000 1.045 100 V CA -0.605 61.607 62.300 -0.146 0.000 0.905 100 V CB 1.397 32.906 31.823 -0.523 0.000 0.997 100 V HN 0.735 nan 8.190 nan 0.000 0.436 101 R N 5.329 125.789 120.500 -0.066 0.000 2.803 101 R HA 0.818 5.156 4.340 -0.004 0.000 0.276 101 R C -1.598 174.799 176.300 0.161 0.000 0.978 101 R CA -0.551 55.532 56.100 -0.029 0.000 0.939 101 R CB 1.964 32.162 30.300 -0.171 0.000 1.179 101 R HN 0.791 nan 8.270 nan 0.000 0.472 102 Y N -2.260 118.056 120.300 0.027 0.000 2.750 102 Y HA 0.489 5.037 4.550 -0.004 0.000 0.335 102 Y C -1.462 174.502 175.900 0.107 0.000 1.252 102 Y CA -1.325 56.837 58.100 0.103 0.000 1.064 102 Y CB 1.087 39.585 38.460 0.064 0.000 1.321 102 Y HN 0.634 nan 8.280 nan 0.000 0.451 103 S N 2.674 118.476 115.700 0.170 0.000 2.438 103 S HA 0.443 4.910 4.470 -0.004 0.000 0.293 103 S C -1.927 172.792 174.600 0.198 0.000 1.141 103 S CA -1.689 56.578 58.200 0.113 0.000 1.080 103 S CB 0.934 64.264 63.200 0.217 0.000 0.978 103 S HN 0.574 nan 8.310 nan 0.000 0.479 104 P HA -0.030 nan 4.420 nan 0.000 0.222 104 P C 0.598 177.809 177.300 -0.148 0.000 1.153 104 P CA 1.074 64.214 63.100 0.066 0.000 0.798 104 P CB -0.036 31.618 31.700 -0.077 0.000 0.796 105 H N 0.067 119.000 119.070 -0.228 0.000 2.352 105 H HA -0.020 4.534 4.556 -0.004 0.000 0.299 105 H C 2.029 177.172 175.328 -0.309 0.000 1.097 105 H CA 1.124 56.849 56.048 -0.538 0.000 1.311 105 H CB -1.102 27.806 29.762 -1.423 0.000 1.377 105 H HN 0.051 nan 8.280 nan 0.000 0.504 106 L N 0.034 121.291 121.223 0.056 0.000 2.465 106 L HA -0.055 4.282 4.340 -0.004 0.000 0.224 106 L C 1.009 178.121 176.870 0.402 0.000 1.145 106 L CA 0.608 55.595 54.840 0.245 0.000 0.834 106 L CB 0.020 42.302 42.059 0.372 0.000 0.944 106 L HN 0.306 nan 8.230 nan 0.000 0.451 107 L N -0.996 120.354 121.223 0.213 0.000 2.766 107 L HA 0.322 4.659 4.340 -0.004 0.000 0.242 107 L C 0.956 177.866 176.870 0.066 0.000 1.136 107 L CA -0.460 54.472 54.840 0.154 0.000 0.933 107 L CB 0.159 42.265 42.059 0.079 0.000 1.241 107 L HN 0.046 nan 8.230 nan 0.000 0.522 108 A N 1.000 123.832 122.820 0.020 0.000 2.286 108 A HA 0.376 4.694 4.320 -0.004 0.000 0.286 108 A C 0.565 178.157 177.584 0.012 0.000 1.097 108 A CA -0.344 51.671 52.037 -0.035 0.000 0.821 108 A CB 0.200 19.116 19.000 -0.140 0.000 1.076 108 A HN 0.509 nan 8.150 nan 0.000 0.490 109 N N -0.654 118.048 118.700 0.002 0.000 2.240 109 N HA 0.204 4.942 4.740 -0.004 0.000 0.240 109 N C -0.523 174.992 175.510 0.009 0.000 1.277 109 N CA 0.118 53.183 53.050 0.025 0.000 0.873 109 N CB 0.793 39.304 38.487 0.040 0.000 1.222 109 N HN 0.427 nan 8.380 nan 0.000 0.507 110 S N 0.689 116.381 115.700 -0.013 0.000 2.533 110 S HA 0.267 4.734 4.470 -0.004 0.000 0.271 110 S C -0.876 173.710 174.600 -0.023 0.000 1.143 110 S CA -0.469 57.725 58.200 -0.010 0.000 0.891 110 S CB 1.093 64.288 63.200 -0.009 0.000 1.105 110 S HN 0.275 nan 8.310 nan 0.000 0.468 111 K N 0.526 120.922 120.400 -0.007 0.000 3.156 111 K HA -0.165 4.152 4.320 -0.004 0.000 0.266 111 K C -0.765 175.829 176.600 -0.011 0.000 0.966 111 K CA 0.924 57.209 56.287 -0.004 0.000 0.719 111 K CB -1.667 30.826 32.500 -0.011 0.000 1.333 111 K HN 0.605 nan 8.250 nan 0.000 0.468 112 V N 0.625 120.540 119.914 0.002 0.000 2.668 112 V HA 0.519 4.637 4.120 -0.004 0.000 0.304 112 V C -1.798 174.363 176.094 0.111 0.000 1.071 112 V CA -0.706 61.600 62.300 0.009 0.000 0.894 112 V CB 2.198 33.946 31.823 -0.124 0.000 1.008 112 V HN 0.305 nan 8.190 nan 0.000 0.425 113 D N 7.314 127.862 120.400 0.246 0.000 2.787 113 D HA 0.696 5.334 4.640 -0.004 0.000 0.246 113 D C -2.839 173.672 176.300 0.352 0.000 1.150 113 D CA -1.565 52.573 54.000 0.230 0.000 0.864 113 D CB 3.074 43.952 40.800 0.131 0.000 1.481 113 D HN 0.451 nan 8.370 nan 0.000 0.509 114 P HA 0.174 nan 4.420 nan 0.000 0.268 114 P C -0.318 177.088 177.300 0.176 0.000 1.205 114 P CA -0.543 62.634 63.100 0.129 0.000 0.771 114 P CB 0.375 32.099 31.700 0.039 0.000 0.858 115 M N 5.511 125.167 119.600 0.093 0.000 2.303 115 M HA 0.193 4.670 4.480 -0.004 0.000 0.350 115 M C -2.357 173.950 176.300 0.013 0.000 1.518 115 M CA -1.455 53.882 55.300 0.062 0.000 1.070 115 M CB -0.635 31.994 32.600 0.049 0.000 1.910 115 M HN 0.164 nan 8.290 nan 0.000 0.458 116 P HA 0.117 nan 4.420 nan 0.000 0.272 116 P C -0.956 176.211 177.300 -0.220 0.000 1.223 116 P CA 0.336 63.225 63.100 -0.352 0.000 0.784 116 P CB 0.134 31.556 31.700 -0.463 0.000 0.923 117 W N 0.235 121.572 121.300 0.061 0.000 4.233 117 W HA -0.254 4.404 4.660 -0.002 0.000 0.328 117 W C 0.315 176.850 176.519 0.027 0.000 1.212 117 W CA 0.174 57.537 57.345 0.031 0.000 0.752 117 W CB -2.945 26.529 29.460 0.023 0.000 2.277 117 W HN 0.474 nan 8.180 nan 0.000 1.465 118 N N -0.578 118.206 118.700 0.140 0.000 2.693 118 N HA -0.233 4.504 4.740 -0.004 0.000 0.249 118 N C 0.379 175.956 175.510 0.111 0.000 1.119 118 N CA 1.928 55.040 53.050 0.104 0.000 0.717 118 N CB -1.087 37.456 38.487 0.094 0.000 1.071 118 N HN 0.634 nan 8.380 nan 0.000 0.555 119 Q N 0.265 120.145 119.800 0.134 0.000 2.421 119 Q HA 0.177 4.515 4.340 -0.004 0.000 0.255 119 Q C 0.477 176.520 176.000 0.072 0.000 1.013 119 Q CA 0.306 56.176 55.803 0.112 0.000 0.895 119 Q CB 0.552 29.368 28.738 0.129 0.000 1.271 119 Q HN 0.171 nan 8.270 nan 0.000 0.460 120 T N 0.792 115.380 114.554 0.057 0.000 2.913 120 T HA 0.056 4.404 4.350 -0.004 0.000 0.297 120 T C 0.145 174.867 174.700 0.037 0.000 1.029 120 T CA -0.777 61.348 62.100 0.041 0.000 1.104 120 T CB 0.759 69.647 68.868 0.033 0.000 0.964 120 T HN 0.397 nan 8.240 nan 0.000 0.532 121 E N 1.060 121.278 120.200 0.030 0.000 2.480 121 E HA 0.194 4.542 4.350 -0.004 0.000 0.258 121 E C 0.507 177.119 176.600 0.020 0.000 0.984 121 E CA 0.182 56.597 56.400 0.025 0.000 0.930 121 E CB 0.536 30.248 29.700 0.020 0.000 0.936 121 E HN 0.844 nan 8.360 nan 0.000 0.466 122 G N 2.548 111.358 108.800 0.017 0.000 3.234 122 G HA2 0.112 4.070 3.960 -0.004 0.000 0.159 122 G HA3 0.112 4.070 3.960 -0.004 0.000 0.159 122 G C -0.065 174.838 174.900 0.006 0.000 1.175 122 G CA 0.110 45.217 45.100 0.011 0.000 0.900 122 G HN 0.589 nan 8.290 nan 0.000 0.621 123 D N -1.298 119.103 120.400 0.001 0.000 2.527 123 D HA 0.100 4.737 4.640 -0.004 0.000 0.224 123 D C 0.034 176.328 176.300 -0.009 0.000 1.217 123 D CA -0.125 53.873 54.000 -0.002 0.000 0.819 123 D CB 0.296 41.096 40.800 0.000 0.000 1.061 123 D HN 0.144 nan 8.370 nan 0.000 0.515 124 V N 2.531 122.437 119.914 -0.014 0.000 2.339 124 V HA 0.329 4.447 4.120 -0.004 0.000 0.261 124 V C 0.989 177.060 176.094 -0.040 0.000 1.058 124 V CA -0.279 62.005 62.300 -0.026 0.000 0.897 124 V CB 0.071 31.877 31.823 -0.028 0.000 1.052 124 V HN 0.357 nan 8.190 nan 0.000 0.480 125 T N 3.333 117.860 114.554 -0.045 0.000 2.816 125 T HA 0.301 4.649 4.350 -0.004 0.000 0.282 125 T C -1.651 172.976 174.700 -0.120 0.000 0.993 125 T CA -1.734 60.322 62.100 -0.073 0.000 0.994 125 T CB 1.355 70.192 68.868 -0.052 0.000 1.025 125 T HN 0.330 nan 8.240 nan 0.000 0.529 126 P HA -0.095 nan 4.420 nan 0.000 0.218 126 P C 1.309 178.503 177.300 -0.177 0.000 1.148 126 P CA 0.892 63.798 63.100 -0.324 0.000 0.822 126 P CB 0.017 31.303 31.700 -0.690 0.000 0.784 127 D N -0.559 119.786 120.400 -0.091 0.000 2.117 127 D HA -0.165 4.473 4.640 -0.004 0.000 0.198 127 D C 1.208 177.513 176.300 0.008 0.000 0.982 127 D CA 1.107 55.123 54.000 0.025 0.000 0.828 127 D CB -0.262 40.585 40.800 0.078 0.000 0.967 127 D HN 0.018 nan 8.370 nan 0.000 0.464 128 D N 0.199 120.587 120.400 -0.019 0.000 2.144 128 D HA -0.121 4.517 4.640 -0.004 0.000 0.199 128 D C 2.290 178.553 176.300 -0.061 0.000 0.984 128 D CA 0.451 54.435 54.000 -0.026 0.000 0.834 128 D CB -0.144 40.641 40.800 -0.026 0.000 0.955 128 D HN 0.171 nan 8.370 nan 0.000 0.465 129 V N 0.694 120.565 119.914 -0.072 0.000 2.295 129 V HA -0.209 3.909 4.120 -0.004 0.000 0.246 129 V C 2.679 178.724 176.094 -0.082 0.000 1.049 129 V CA 1.047 63.306 62.300 -0.070 0.000 1.024 129 V CB -0.488 31.315 31.823 -0.033 0.000 0.648 129 V HN 0.060 nan 8.190 nan 0.000 0.447 130 V N 0.540 120.392 119.914 -0.104 0.000 2.295 130 V HA -0.291 3.826 4.120 -0.004 0.000 0.246 130 V C 2.370 178.243 176.094 -0.369 0.000 1.049 130 V CA 2.404 64.586 62.300 -0.196 0.000 1.024 130 V CB -0.747 30.844 31.823 -0.387 0.000 0.648 130 V HN 0.645 nan 8.190 nan 0.000 0.447 131 D N 0.069 120.224 120.400 -0.408 0.000 2.123 131 D HA -0.189 4.449 4.640 -0.004 0.000 0.196 131 D C 2.004 178.233 176.300 -0.119 0.000 0.992 131 D CA 1.562 55.415 54.000 -0.244 0.000 0.833 131 D CB -0.197 40.565 40.800 -0.064 0.000 0.954 131 D HN 0.385 nan 8.370 nan 0.000 0.455 132 L N -0.562 120.600 121.223 -0.102 0.000 2.056 132 L HA -0.120 4.217 4.340 -0.004 0.000 0.207 132 L C 2.584 179.402 176.870 -0.087 0.000 1.078 132 L CA 0.547 55.341 54.840 -0.076 0.000 0.749 132 L CB -0.219 41.792 42.059 -0.080 0.000 0.901 132 L HN 0.029 nan 8.230 nan 0.000 0.433 133 V N -0.149 119.681 119.914 -0.139 0.000 2.453 133 V HA -0.247 3.871 4.120 -0.004 0.000 0.247 133 V C 1.993 178.042 176.094 -0.075 0.000 1.048 133 V CA 1.873 64.074 62.300 -0.166 0.000 1.049 133 V CB -0.725 30.888 31.823 -0.350 0.000 0.672 133 V HN 0.497 nan 8.190 nan 0.000 0.457 134 N N -0.218 118.439 118.700 -0.072 0.000 2.043 134 N HA -0.247 4.490 4.740 -0.004 0.000 0.193 134 N C 1.939 177.460 175.510 0.019 0.000 1.037 134 N CA 1.523 54.558 53.050 -0.025 0.000 0.851 134 N CB -0.164 38.288 38.487 -0.059 0.000 1.027 134 N HN 0.565 nan 8.380 nan 0.000 0.422 135 Q N 0.163 119.969 119.800 0.010 0.000 2.045 135 Q HA -0.146 4.191 4.340 -0.004 0.000 0.206 135 Q C 2.407 178.455 176.000 0.079 0.000 0.991 135 Q CA 1.590 57.417 55.803 0.041 0.000 0.851 135 Q CB -0.425 28.328 28.738 0.025 0.000 0.911 135 Q HN 0.458 nan 8.270 nan 0.000 0.418 136 G N 0.893 109.741 108.800 0.080 0.000 2.440 136 G HA2 -0.237 3.720 3.960 -0.004 0.000 0.218 136 G HA3 -0.237 3.720 3.960 -0.004 0.000 0.218 136 G C 1.404 176.428 174.900 0.207 0.000 1.154 136 G CA 0.755 45.954 45.100 0.166 0.000 0.767 136 G HN 0.166 nan 8.290 nan 0.000 0.552 137 L N -0.208 121.092 121.223 0.128 0.000 2.056 137 L HA -0.115 4.223 4.340 -0.004 0.000 0.207 137 L C 3.192 180.144 176.870 0.136 0.000 1.078 137 L CA 1.252 56.171 54.840 0.131 0.000 0.749 137 L CB -0.582 41.533 42.059 0.093 0.000 0.901 137 L HN 0.303 nan 8.230 nan 0.000 0.433 138 Q N 0.024 119.895 119.800 0.117 0.000 2.084 138 Q HA -0.217 4.120 4.340 -0.004 0.000 0.202 138 Q C 2.032 178.103 176.000 0.118 0.000 0.978 138 Q CA 1.453 57.320 55.803 0.107 0.000 0.844 138 Q CB -0.135 28.655 28.738 0.087 0.000 0.898 138 Q HN 0.571 nan 8.270 nan 0.000 0.426 139 E N 0.180 120.475 120.200 0.158 0.000 2.150 139 E HA -0.123 4.225 4.350 -0.004 0.000 0.193 139 E C 2.075 178.830 176.600 0.258 0.000 0.985 139 E CA 0.839 57.362 56.400 0.204 0.000 0.814 139 E CB -0.142 29.704 29.700 0.243 0.000 0.752 139 E HN 0.464 nan 8.360 nan 0.000 0.466 140 G N 1.259 110.210 108.800 0.252 0.000 2.408 140 G HA2 -0.257 3.701 3.960 -0.004 0.000 0.217 140 G HA3 -0.257 3.701 3.960 -0.004 0.000 0.217 140 G C 1.317 176.319 174.900 0.171 0.000 1.150 140 G CA 0.415 45.590 45.100 0.124 0.000 0.776 140 G HN 0.173 nan 8.290 nan 0.000 0.542 141 E N -0.137 120.142 120.200 0.133 0.000 2.038 141 E HA -0.160 4.187 4.350 -0.004 0.000 0.195 141 E C 2.712 179.346 176.600 0.056 0.000 1.000 141 E CA 0.929 57.393 56.400 0.107 0.000 0.803 141 E CB -0.084 29.676 29.700 0.101 0.000 0.750 141 E HN 0.267 nan 8.360 nan 0.000 0.448 142 Q N 0.044 119.865 119.800 0.034 0.000 2.045 142 Q HA -0.195 4.143 4.340 -0.004 0.000 0.206 142 Q C 2.247 178.189 176.000 -0.096 0.000 0.991 142 Q CA 1.665 57.462 55.803 -0.009 0.000 0.851 142 Q CB -0.449 28.293 28.738 0.007 0.000 0.911 142 Q HN 0.269 nan 8.270 nan 0.000 0.418 143 A N -0.552 122.146 122.820 -0.204 0.000 1.940 143 A HA -0.137 4.180 4.320 -0.004 0.000 0.219 143 A C 1.387 178.524 177.584 -0.744 0.000 1.176 143 A CA 1.479 53.183 52.037 -0.554 0.000 0.631 143 A CB -0.393 18.093 19.000 -0.856 0.000 0.814 143 A HN 0.342 nan 8.150 nan 0.000 0.446 144 F N -1.742 118.182 119.950 -0.043 0.000 2.706 144 F HA 0.397 4.921 4.527 -0.004 0.000 0.313 144 F C 1.597 177.372 175.800 -0.042 0.000 1.096 144 F CA -0.092 57.870 58.000 -0.063 0.000 1.219 144 F CB -0.002 38.926 39.000 -0.119 0.000 1.051 144 F HN 0.284 nan 8.300 nan 0.000 0.568 145 G N 2.492 111.337 108.800 0.075 0.000 2.305 145 G HA2 -0.299 3.659 3.960 -0.004 0.000 0.287 145 G HA3 -0.299 3.659 3.960 -0.004 0.000 0.287 145 G C 0.105 175.045 174.900 0.068 0.000 1.036 145 G CA 0.734 45.867 45.100 0.055 0.000 0.887 145 G HN 0.549 nan 8.290 nan 0.000 0.505 146 I N -4.267 116.356 120.570 0.088 0.000 3.067 146 I HA 0.885 5.053 4.170 -0.004 0.000 0.312 146 I C -0.202 175.978 176.117 0.105 0.000 1.073 146 I CA -1.871 59.476 61.300 0.079 0.000 1.016 146 I CB 2.007 40.037 38.000 0.050 0.000 1.227 146 I HN -0.006 nan 8.210 nan 0.000 0.456 147 K N 2.284 122.771 120.400 0.145 0.000 2.185 147 K HA 0.707 5.024 4.320 -0.004 0.000 0.269 147 K C -1.696 175.013 176.600 0.182 0.000 0.987 147 K CA -0.555 55.858 56.287 0.210 0.000 0.865 147 K CB 1.644 34.328 32.500 0.307 0.000 1.090 147 K HN 0.604 nan 8.250 nan 0.000 0.450 148 V N 5.080 125.079 119.914 0.142 0.000 2.623 148 V HA 0.520 4.638 4.120 -0.004 0.000 0.304 148 V C -0.530 175.616 176.094 0.088 0.000 1.054 148 V CA -1.006 61.327 62.300 0.054 0.000 0.882 148 V CB 1.677 33.568 31.823 0.113 0.000 1.002 148 V HN 0.793 nan 8.190 nan 0.000 0.424 149 R N 1.856 122.371 120.500 0.025 0.000 2.919 149 R HA 0.798 5.136 4.340 -0.004 0.000 0.260 149 R C -0.311 176.029 176.300 0.067 0.000 1.067 149 R CA -0.594 55.570 56.100 0.108 0.000 1.003 149 R CB 2.323 32.755 30.300 0.220 0.000 1.192 149 R HN 0.853 nan 8.270 nan 0.000 0.488 150 S N 0.038 115.798 115.700 0.099 0.000 2.607 150 S HA 0.737 5.205 4.470 -0.004 0.000 0.303 150 S C -0.030 174.612 174.600 0.071 0.000 1.086 150 S CA -0.770 57.484 58.200 0.090 0.000 0.995 150 S CB 1.476 64.767 63.200 0.152 0.000 1.084 150 S HN 0.458 nan 8.310 nan 0.000 0.507 151 I N 1.373 121.951 120.570 0.013 0.000 2.534 151 I HA 0.346 4.513 4.170 -0.004 0.000 0.288 151 I C -1.149 174.865 176.117 -0.170 0.000 1.077 151 I CA -0.739 60.547 61.300 -0.023 0.000 1.051 151 I CB 1.878 39.893 38.000 0.025 0.000 1.234 151 I HN 0.507 nan 8.210 nan 0.000 0.425 152 L N 5.280 126.393 121.223 -0.182 0.000 2.289 152 L HA 0.491 4.828 4.340 -0.004 0.000 0.285 152 L C -0.762 176.025 176.870 -0.138 0.000 1.049 152 L CA -0.631 54.031 54.840 -0.297 0.000 0.804 152 L CB 1.533 43.453 42.059 -0.232 0.000 1.195 152 L HN 0.592 nan 8.230 nan 0.000 0.428 153 C N 1.807 121.039 119.300 -0.113 0.000 2.295 153 C HA 0.387 4.845 4.460 -0.004 0.000 0.331 153 C C 0.723 175.766 174.990 0.088 0.000 1.280 153 C CA -1.172 57.863 59.018 0.027 0.000 1.746 153 C CB 0.156 27.943 27.740 0.079 0.000 2.328 153 C HN 0.810 nan 8.230 nan 0.000 0.521 154 C N 4.717 124.081 119.300 0.107 0.000 2.689 154 C HA 0.343 4.800 4.460 -0.004 0.000 0.409 154 C C 0.500 175.550 174.990 0.100 0.000 1.293 154 C CA -0.232 58.871 59.018 0.141 0.000 2.136 154 C CB -0.356 27.464 27.740 0.133 0.000 2.719 154 C HN 0.741 nan 8.230 nan 0.000 0.644 155 M N 1.906 121.586 119.600 0.135 0.000 2.383 155 M HA 0.320 4.797 4.480 -0.004 0.000 0.325 155 M C 1.050 177.399 176.300 0.080 0.000 1.092 155 M CA -0.244 55.107 55.300 0.086 0.000 0.961 155 M CB 1.307 33.975 32.600 0.114 0.000 1.672 155 M HN 0.733 nan 8.290 nan 0.000 0.438 156 R N 0.554 121.096 120.500 0.071 0.000 2.105 156 R HA -0.183 4.155 4.340 -0.004 0.000 0.239 156 R C 1.583 178.112 176.300 0.382 0.000 1.135 156 R CA 2.055 58.243 56.100 0.146 0.000 0.967 156 R CB -0.337 29.987 30.300 0.040 0.000 0.861 156 R HN 0.784 nan 8.270 nan 0.000 0.442 157 H N -1.897 117.248 119.070 0.124 0.000 2.555 157 H HA 0.083 4.637 4.556 -0.004 0.000 0.269 157 H C 0.599 175.862 175.328 -0.109 0.000 0.988 157 H CA 0.265 56.347 56.048 0.056 0.000 1.178 157 H CB 0.298 30.030 29.762 -0.051 0.000 1.373 157 H HN -0.051 nan 8.280 nan 0.000 0.588 158 Q N 1.106 120.583 119.800 -0.538 0.000 3.048 158 Q HA 0.217 4.554 4.340 -0.004 0.000 0.337 158 Q C -2.065 173.637 176.000 -0.496 0.000 0.845 158 Q CA -2.301 52.986 55.803 -0.860 0.000 0.942 158 Q CB 1.139 28.855 28.738 -1.703 0.000 1.454 158 Q HN 0.276 nan 8.270 nan 0.000 0.392 159 P HA -0.171 nan 4.420 nan 0.000 0.223 159 P C 0.865 178.000 177.300 -0.276 0.000 1.144 159 P CA 1.178 63.968 63.100 -0.517 0.000 0.783 159 P CB 0.259 31.557 31.700 -0.671 0.000 0.771 160 S N -2.460 113.048 115.700 -0.320 0.000 2.500 160 S HA -0.105 4.362 4.470 -0.004 0.000 0.239 160 S C 1.517 176.111 174.600 -0.010 0.000 0.989 160 S CA 0.302 58.392 58.200 -0.182 0.000 0.951 160 S CB -1.150 61.925 63.200 -0.210 0.000 0.759 160 S HN 0.127 nan 8.310 nan 0.000 0.523 161 W N 1.898 123.066 121.300 -0.220 0.000 2.942 161 W HA 0.425 5.083 4.660 -0.005 0.000 0.263 161 W C 2.331 178.751 176.519 -0.166 0.000 1.296 161 W CA -0.641 56.499 57.345 -0.342 0.000 1.504 161 W CB -1.353 27.641 29.460 -0.777 0.000 1.096 161 W HN 0.309 nan 8.180 nan 0.000 0.639 162 S N 1.270 117.059 115.700 0.148 0.000 2.370 162 S HA -0.160 4.307 4.470 -0.004 0.000 0.226 162 S C 1.956 176.626 174.600 0.116 0.000 1.033 162 S CA 1.159 59.465 58.200 0.177 0.000 1.011 162 S CB -0.595 62.782 63.200 0.296 0.000 0.852 162 S HN 0.183 nan 8.310 nan 0.000 0.457 163 L N 1.037 122.313 121.223 0.089 0.000 2.141 163 L HA -0.086 4.252 4.340 -0.004 0.000 0.209 163 L C 2.668 179.578 176.870 0.067 0.000 1.094 163 L CA 1.193 56.069 54.840 0.060 0.000 0.763 163 L CB -0.404 41.682 42.059 0.045 0.000 0.908 163 L HN 0.390 nan 8.230 nan 0.000 0.437 164 E N 0.170 120.435 120.200 0.108 0.000 2.107 164 E HA -0.162 4.185 4.350 -0.004 0.000 0.191 164 E C 2.229 178.914 176.600 0.143 0.000 0.982 164 E CA 0.997 57.477 56.400 0.133 0.000 0.809 164 E CB 0.191 30.018 29.700 0.211 0.000 0.756 164 E HN 0.228 nan 8.360 nan 0.000 0.459 165 V N 1.514 121.537 119.914 0.181 0.000 2.324 165 V HA -0.281 3.836 4.120 -0.004 0.000 0.250 165 V C 2.470 178.584 176.094 0.034 0.000 1.060 165 V CA 1.752 64.127 62.300 0.125 0.000 1.042 165 V CB -0.603 31.293 31.823 0.122 0.000 0.650 165 V HN 0.373 nan 8.190 nan 0.000 0.450 166 L N 0.132 121.360 121.223 0.008 0.000 2.027 166 L HA -0.109 4.229 4.340 -0.004 0.000 0.206 166 L C 2.484 179.342 176.870 -0.020 0.000 1.074 166 L CA 1.912 56.727 54.840 -0.042 0.000 0.745 166 L CB -0.828 41.195 42.059 -0.061 0.000 0.898 166 L HN 0.249 nan 8.230 nan 0.000 0.433 167 E N -0.059 120.144 120.200 0.004 0.000 2.160 167 E HA -0.211 4.136 4.350 -0.004 0.000 0.195 167 E C 2.314 178.920 176.600 0.010 0.000 0.991 167 E CA 1.502 57.902 56.400 -0.001 0.000 0.810 167 E CB -0.434 29.271 29.700 0.008 0.000 0.742 167 E HN 0.551 nan 8.360 nan 0.000 0.466 168 L N -0.031 121.220 121.223 0.047 0.000 2.027 168 L HA -0.197 4.141 4.340 -0.004 0.000 0.206 168 L C 2.697 179.646 176.870 0.132 0.000 1.074 168 L CA 1.003 55.915 54.840 0.120 0.000 0.745 168 L CB -0.489 41.634 42.059 0.108 0.000 0.898 168 L HN 0.171 nan 8.230 nan 0.000 0.433 169 C N -0.016 119.314 119.300 0.049 0.000 2.413 169 C HA -0.187 4.270 4.460 -0.004 0.000 0.277 169 C C 2.796 177.789 174.990 0.005 0.000 1.265 169 C CA 0.844 59.875 59.018 0.021 0.000 1.752 169 C CB -0.774 26.938 27.740 -0.046 0.000 1.998 169 C HN 0.428 nan 8.230 nan 0.000 0.489 170 K N 0.986 121.371 120.400 -0.025 0.000 2.025 170 K HA -0.164 4.154 4.320 -0.004 0.000 0.207 170 K C 2.161 178.718 176.600 -0.072 0.000 1.049 170 K CA 1.348 57.605 56.287 -0.050 0.000 0.933 170 K CB -0.204 32.261 32.500 -0.057 0.000 0.714 170 K HN 0.464 nan 8.250 nan 0.000 0.438 171 K N -0.070 120.262 120.400 -0.113 0.000 2.097 171 K HA -0.138 4.180 4.320 -0.004 0.000 0.206 171 K C 0.518 176.883 176.600 -0.392 0.000 1.049 171 K CA 1.353 57.469 56.287 -0.285 0.000 0.933 171 K CB 0.086 32.341 32.500 -0.409 0.000 0.717 171 K HN 0.130 nan 8.250 nan 0.000 0.442 172 Y N 1.095 121.392 120.300 -0.005 0.000 2.756 172 Y HA 0.221 4.768 4.550 -0.005 0.000 0.300 172 Y C -0.191 175.717 175.900 0.013 0.000 1.113 172 Y CA -0.977 57.128 58.100 0.009 0.000 1.291 172 Y CB -0.134 38.337 38.460 0.018 0.000 1.175 172 Y HN 0.023 nan 8.280 nan 0.000 0.534 173 N N 2.016 120.766 118.700 0.083 0.000 2.434 173 N HA -0.061 4.677 4.740 -0.004 0.000 0.268 173 N C 0.491 176.044 175.510 0.072 0.000 1.256 173 N CA 0.883 53.966 53.050 0.055 0.000 0.914 173 N CB 0.384 38.870 38.487 -0.002 0.000 1.088 173 N HN 0.354 nan 8.380 nan 0.000 0.478 174 Q N 0.882 120.738 119.800 0.094 0.000 2.348 174 Q HA -0.225 4.112 4.340 -0.004 0.000 0.221 174 Q C -0.810 175.261 176.000 0.118 0.000 0.735 174 Q CA 1.178 57.046 55.803 0.110 0.000 1.351 174 Q CB -1.093 27.699 28.738 0.090 0.000 1.640 174 Q HN 0.731 nan 8.270 nan 0.000 0.667 175 K N -0.276 120.207 120.400 0.138 0.000 3.098 175 K HA 0.269 4.586 4.320 -0.004 0.000 0.170 175 K C 0.551 177.262 176.600 0.184 0.000 1.106 175 K CA 0.325 56.702 56.287 0.150 0.000 0.864 175 K CB 0.664 33.250 32.500 0.143 0.000 1.047 175 K HN 0.172 nan 8.250 nan 0.000 0.609 176 T N -3.368 111.265 114.554 0.131 0.000 3.092 176 T HA 0.146 4.493 4.350 -0.004 0.000 0.258 176 T C 0.631 175.410 174.700 0.131 0.000 1.031 176 T CA -0.167 62.007 62.100 0.123 0.000 0.925 176 T CB 0.158 69.088 68.868 0.103 0.000 1.036 176 T HN -0.037 nan 8.240 nan 0.000 0.544 177 V N 3.521 123.514 119.914 0.133 0.000 2.408 177 V HA 0.243 4.360 4.120 -0.004 0.000 0.267 177 V C 1.416 177.577 176.094 0.112 0.000 1.047 177 V CA -0.282 62.083 62.300 0.108 0.000 0.937 177 V CB 1.015 32.900 31.823 0.103 0.000 0.999 177 V HN 0.493 nan 8.190 nan 0.000 0.472 178 V N 2.143 122.139 119.914 0.138 0.000 3.643 178 V HA 0.800 4.917 4.120 -0.004 0.000 0.280 178 V C 0.533 176.690 176.094 0.106 0.000 1.351 178 V CA 0.691 63.103 62.300 0.186 0.000 1.073 178 V CB -0.079 31.934 31.823 0.317 0.000 0.863 178 V HN 0.896 nan 8.190 nan 0.000 0.436 179 A N 0.221 123.056 122.820 0.024 0.000 2.564 179 A HA 0.803 5.120 4.320 -0.004 0.000 0.291 179 A C -1.149 176.383 177.584 -0.087 0.000 1.102 179 A CA -0.436 51.524 52.037 -0.128 0.000 0.660 179 A CB 1.644 20.486 19.000 -0.263 0.000 1.283 179 A HN 0.350 nan 8.150 nan 0.000 0.430 180 M N 0.758 120.277 119.600 -0.135 0.000 2.508 180 M HA 0.645 5.122 4.480 -0.004 0.000 0.327 180 M C -1.313 174.992 176.300 0.007 0.000 1.160 180 M CA -0.334 54.899 55.300 -0.113 0.000 0.980 180 M CB 1.781 34.222 32.600 -0.265 0.000 1.693 180 M HN 0.879 nan 8.290 nan 0.000 0.452 181 D N 2.284 122.738 120.400 0.089 0.000 2.533 181 D HA 0.642 5.280 4.640 -0.004 0.000 0.247 181 D C -2.076 174.379 176.300 0.260 0.000 1.056 181 D CA -0.448 53.682 54.000 0.217 0.000 1.054 181 D CB 1.977 42.874 40.800 0.162 0.000 1.400 181 D HN 0.514 nan 8.370 nan 0.000 0.533 182 L N 1.506 122.893 121.223 0.272 0.000 2.406 182 L HA 0.854 5.191 4.340 -0.004 0.000 0.270 182 L C -1.375 175.550 176.870 0.092 0.000 0.982 182 L CA -0.254 54.658 54.840 0.120 0.000 0.843 182 L CB 0.750 42.803 42.059 -0.011 0.000 1.225 182 L HN 0.542 nan 8.230 nan 0.000 0.412 183 A N 2.853 125.657 122.820 -0.027 0.000 2.443 183 A HA 1.060 5.377 4.320 -0.004 0.000 0.278 183 A C 0.337 177.841 177.584 -0.132 0.000 1.252 183 A CA -0.130 51.761 52.037 -0.244 0.000 0.816 183 A CB 0.887 19.784 19.000 -0.171 0.000 1.369 183 A HN 1.945 nan 8.150 nan 0.000 0.446 184 G N -0.522 108.185 108.800 -0.155 0.000 2.451 184 G HA2 0.116 4.074 3.960 -0.004 0.000 0.208 184 G HA3 0.116 4.074 3.960 -0.004 0.000 0.208 184 G C -0.861 174.024 174.900 -0.026 0.000 1.248 184 G CA 0.168 45.234 45.100 -0.056 0.000 0.989 184 G HN 1.197 nan 8.290 nan 0.000 0.559 185 D N 1.253 121.656 120.400 0.005 0.000 2.393 185 D HA 0.356 4.993 4.640 -0.004 0.000 0.232 185 D C 1.475 177.784 176.300 0.015 0.000 1.192 185 D CA 0.403 54.411 54.000 0.014 0.000 0.882 185 D CB 0.824 41.623 40.800 -0.001 0.000 1.038 185 D HN 0.641 nan 8.370 nan 0.000 0.499 186 E N 1.559 121.768 120.200 0.016 0.000 2.511 186 E HA -0.123 4.224 4.350 -0.004 0.000 0.196 186 E C 0.917 177.520 176.600 0.006 0.000 1.066 186 E CA 0.700 57.105 56.400 0.009 0.000 0.871 186 E CB 0.024 29.740 29.700 0.027 0.000 0.863 186 E HN 0.378 nan 8.360 nan 0.000 0.520 187 T N -1.186 113.376 114.554 0.013 0.000 3.129 187 T HA 0.159 4.506 4.350 -0.004 0.000 0.251 187 T C 0.858 175.568 174.700 0.015 0.000 1.117 187 T CA -0.343 61.765 62.100 0.014 0.000 1.034 187 T CB -0.397 68.481 68.868 0.017 0.000 0.968 187 T HN 0.125 nan 8.240 nan 0.000 0.526 188 I N 3.026 123.607 120.570 0.018 0.000 2.471 188 I HA 0.133 4.301 4.170 -0.004 0.000 0.294 188 I C -0.113 176.007 176.117 0.004 0.000 1.123 188 I CA -0.497 60.828 61.300 0.042 0.000 1.336 188 I CB 0.008 38.065 38.000 0.095 0.000 1.430 188 I HN 0.229 nan 8.210 nan 0.000 0.533 189 E N 4.869 125.084 120.200 0.025 0.000 2.558 189 E HA 0.108 4.455 4.350 -0.004 0.000 0.255 189 E C 1.242 177.826 176.600 -0.026 0.000 0.968 189 E CA 0.959 57.362 56.400 0.005 0.000 0.939 189 E CB 0.175 29.892 29.700 0.028 0.000 0.921 189 E HN 0.834 nan 8.360 nan 0.000 0.477 190 G N 2.546 111.295 108.800 -0.086 0.000 2.168 190 G HA2 -0.403 3.554 3.960 -0.004 0.000 0.263 190 G HA3 -0.403 3.554 3.960 -0.004 0.000 0.263 190 G C 1.172 175.771 174.900 -0.501 0.000 0.977 190 G CA 0.863 45.873 45.100 -0.149 0.000 0.659 190 G HN 0.677 nan 8.290 nan 0.000 0.533 191 S N -0.159 115.115 115.700 -0.710 0.000 2.423 191 S HA -0.023 4.444 4.470 -0.004 0.000 0.231 191 S C 2.279 176.387 174.600 -0.821 0.000 1.014 191 S CA 1.730 59.004 58.200 -1.542 0.000 0.965 191 S CB -0.371 62.397 63.200 -0.719 0.000 0.785 191 S HN 0.779 nan 8.310 nan 0.000 0.495 192 S N 2.252 117.716 115.700 -0.393 0.000 2.440 192 S HA 0.038 4.505 4.470 -0.004 0.000 0.240 192 S C 1.517 176.037 174.600 -0.133 0.000 1.014 192 S CA 1.316 59.389 58.200 -0.212 0.000 0.980 192 S CB -0.545 62.563 63.200 -0.154 0.000 0.775 192 S HN 0.546 nan 8.310 nan 0.000 0.499 193 L N -0.113 121.006 121.223 -0.174 0.000 2.567 193 L HA 0.236 4.573 4.340 -0.004 0.000 0.225 193 L C -0.260 176.682 176.870 0.120 0.000 1.119 193 L CA -0.284 54.545 54.840 -0.019 0.000 0.871 193 L CB -0.260 41.800 42.059 0.002 0.000 1.036 193 L HN 0.182 nan 8.230 nan 0.000 0.459 194 F N 1.705 121.676 119.950 0.033 0.000 2.602 194 F HA 0.080 4.605 4.527 -0.004 0.000 0.385 194 F C -1.054 174.706 175.800 -0.067 0.000 1.063 194 F CA -2.487 55.477 58.000 -0.061 0.000 1.233 194 F CB -0.444 38.442 39.000 -0.190 0.000 1.067 194 F HN -0.195 nan 8.300 nan 0.000 0.564 195 P HA -0.138 nan 4.420 nan 0.000 0.216 195 P C 1.776 179.103 177.300 0.044 0.000 1.150 195 P CA 1.960 65.098 63.100 0.063 0.000 0.843 195 P CB 0.083 31.796 31.700 0.022 0.000 0.787 196 G N -0.810 107.970 108.800 -0.033 0.000 2.476 196 G HA2 -0.291 3.666 3.960 -0.004 0.000 0.218 196 G HA3 -0.291 3.666 3.960 -0.004 0.000 0.218 196 G C 1.239 176.185 174.900 0.077 0.000 1.164 196 G CA 1.098 46.170 45.100 -0.047 0.000 0.768 196 G HN 0.364 nan 8.290 nan 0.000 0.560 197 H N -0.600 118.559 119.070 0.150 0.000 2.299 197 H HA -0.019 4.536 4.556 -0.002 0.000 0.302 197 H C 2.819 178.284 175.328 0.228 0.000 1.078 197 H CA 0.759 56.924 56.048 0.195 0.000 1.323 197 H CB -0.018 29.828 29.762 0.139 0.000 1.381 197 H HN 0.194 nan 8.280 nan 0.000 0.498 198 V N 1.286 121.359 119.914 0.264 0.000 2.282 198 V HA -0.271 3.847 4.120 -0.004 0.000 0.249 198 V C 1.991 178.197 176.094 0.187 0.000 1.057 198 V CA 2.095 64.507 62.300 0.188 0.000 1.032 198 V CB -0.417 31.474 31.823 0.113 0.000 0.645 198 V HN 0.484 nan 8.190 nan 0.000 0.447 199 E N -0.001 120.284 120.200 0.142 0.000 2.150 199 E HA -0.116 4.231 4.350 -0.004 0.000 0.193 199 E C 2.330 178.989 176.600 0.098 0.000 0.985 199 E CA 1.058 57.516 56.400 0.098 0.000 0.814 199 E CB -0.343 29.395 29.700 0.063 0.000 0.752 199 E HN 0.606 nan 8.360 nan 0.000 0.466 200 A N 0.795 123.692 122.820 0.130 0.000 1.892 200 A HA -0.228 4.090 4.320 -0.004 0.000 0.218 200 A C 1.858 179.429 177.584 -0.023 0.000 1.188 200 A CA 1.480 53.553 52.037 0.060 0.000 0.631 200 A CB -0.849 18.209 19.000 0.097 0.000 0.822 200 A HN 0.274 nan 8.150 nan 0.000 0.447 201 Y N -0.010 120.318 120.300 0.047 0.000 2.220 201 Y HA -0.118 4.428 4.550 -0.006 0.000 0.291 201 Y C 2.497 178.407 175.900 0.016 0.000 1.129 201 Y CA 1.646 59.763 58.100 0.028 0.000 1.161 201 Y CB -0.298 38.183 38.460 0.035 0.000 0.997 201 Y HN 0.442 nan 8.280 nan 0.000 0.522 202 E N -0.651 119.644 120.200 0.158 0.000 2.085 202 E HA -0.216 4.131 4.350 -0.004 0.000 0.194 202 E C 2.497 179.117 176.600 0.032 0.000 0.994 202 E CA 1.097 57.546 56.400 0.082 0.000 0.801 202 E CB -0.536 29.208 29.700 0.073 0.000 0.743 202 E HN 0.566 nan 8.360 nan 0.000 0.453 203 G N 0.918 109.726 108.800 0.013 0.000 2.422 203 G HA2 -0.234 3.724 3.960 -0.004 0.000 0.218 203 G HA3 -0.234 3.724 3.960 -0.004 0.000 0.218 203 G C 1.650 176.519 174.900 -0.052 0.000 1.146 203 G CA 0.795 45.884 45.100 -0.019 0.000 0.769 203 G HN 0.348 nan 8.290 nan 0.000 0.547 204 A N 0.090 122.859 122.820 -0.086 0.000 1.930 204 A HA 0.153 4.470 4.320 -0.004 0.000 0.217 204 A C 2.580 180.113 177.584 -0.085 0.000 1.175 204 A CA 1.583 53.542 52.037 -0.129 0.000 0.627 204 A CB -0.494 18.367 19.000 -0.231 0.000 0.815 204 A HN 0.224 nan 8.150 nan 0.000 0.443 205 V N 0.266 120.161 119.914 -0.031 0.000 2.295 205 V HA -0.268 3.849 4.120 -0.004 0.000 0.246 205 V C 2.412 178.491 176.094 -0.026 0.000 1.049 205 V CA 2.344 64.636 62.300 -0.013 0.000 1.024 205 V CB -0.614 31.224 31.823 0.026 0.000 0.648 205 V HN 0.530 nan 8.190 nan 0.000 0.447 206 K N 0.061 120.447 120.400 -0.022 0.000 2.283 206 K HA -0.061 4.256 4.320 -0.004 0.000 0.202 206 K C 1.332 177.910 176.600 -0.038 0.000 1.048 206 K CA 1.055 57.328 56.287 -0.022 0.000 0.948 206 K CB -0.127 32.364 32.500 -0.015 0.000 0.742 206 K HN 0.515 nan 8.250 nan 0.000 0.458 207 N N -0.212 118.455 118.700 -0.055 0.000 2.214 207 N HA 0.026 4.764 4.740 -0.004 0.000 0.214 207 N C 0.276 175.727 175.510 -0.099 0.000 1.132 207 N CA 0.440 53.448 53.050 -0.069 0.000 0.856 207 N CB 1.449 39.895 38.487 -0.069 0.000 1.020 207 N HN 0.215 nan 8.380 nan 0.000 0.509 208 G N 1.723 110.458 108.800 -0.110 0.000 2.258 208 G HA2 -0.245 3.712 3.960 -0.004 0.000 0.274 208 G HA3 -0.245 3.712 3.960 -0.004 0.000 0.274 208 G C 0.031 174.768 174.900 -0.270 0.000 1.021 208 G CA -0.049 44.950 45.100 -0.167 0.000 0.798 208 G HN 0.247 nan 8.290 nan 0.000 0.507 209 I N 0.965 121.394 120.570 -0.235 0.000 2.371 209 I HA 0.239 4.406 4.170 -0.004 0.000 0.290 209 I C 1.174 177.097 176.117 -0.324 0.000 1.028 209 I CA -0.985 60.149 61.300 -0.278 0.000 1.345 209 I CB 0.183 38.064 38.000 -0.198 0.000 1.407 209 I HN 0.174 nan 8.210 nan 0.000 0.501 210 H N 6.185 125.056 119.070 -0.331 0.000 2.852 210 H HA 0.264 4.817 4.556 -0.004 0.000 0.362 210 H C -0.103 174.888 175.328 -0.561 0.000 1.122 210 H CA 0.197 55.886 56.048 -0.599 0.000 1.419 210 H CB 0.727 29.740 29.762 -1.248 0.000 1.401 210 H HN 0.401 nan 8.280 nan 0.000 0.609 211 R N 1.009 121.331 120.500 -0.296 0.000 2.574 211 R HA 0.378 4.716 4.340 -0.004 0.000 0.288 211 R C -0.981 175.436 176.300 0.195 0.000 1.004 211 R CA -0.623 55.486 56.100 0.016 0.000 0.895 211 R CB 2.320 32.751 30.300 0.219 0.000 1.191 211 R HN 0.552 nan 8.270 nan 0.000 0.444 212 T N 1.024 115.752 114.554 0.290 0.000 2.883 212 T HA 0.698 5.046 4.350 -0.004 0.000 0.296 212 T C -1.495 173.366 174.700 0.269 0.000 1.117 212 T CA -0.570 61.712 62.100 0.303 0.000 1.006 212 T CB 1.618 70.682 68.868 0.326 0.000 1.191 212 T HN 0.199 nan 8.240 nan 0.000 0.508 213 V N 3.204 123.229 119.914 0.186 0.000 2.777 213 V HA 0.372 4.490 4.120 -0.004 0.000 0.306 213 V C -1.094 175.129 176.094 0.216 0.000 1.112 213 V CA -1.001 61.398 62.300 0.165 0.000 0.917 213 V CB 1.744 33.566 31.823 -0.002 0.000 1.018 213 V HN 1.008 nan 8.190 nan 0.000 0.426 214 H N 2.752 121.929 119.070 0.180 0.000 2.848 214 H HA 0.707 5.261 4.556 -0.004 0.000 0.317 214 H C 0.323 175.759 175.328 0.181 0.000 1.046 214 H CA 1.062 57.282 56.048 0.287 0.000 1.470 214 H CB 1.059 31.023 29.762 0.338 0.000 1.483 214 H HN 1.044 nan 8.280 nan 0.000 0.548 215 A N 1.816 124.813 122.820 0.295 0.000 2.530 215 A HA 0.518 4.835 4.320 -0.004 0.000 0.297 215 A C 0.617 178.303 177.584 0.170 0.000 1.059 215 A CA -0.237 51.904 52.037 0.174 0.000 0.782 215 A CB 0.435 19.504 19.000 0.115 0.000 1.301 215 A HN 1.119 nan 8.150 nan 0.000 0.394 216 G N 0.922 109.783 108.800 0.102 0.000 2.137 216 G HA2 -0.253 3.704 3.960 -0.004 0.000 0.237 216 G HA3 -0.253 3.704 3.960 -0.004 0.000 0.237 216 G C 0.710 175.502 174.900 -0.179 0.000 1.002 216 G CA 1.058 46.182 45.100 0.041 0.000 0.702 216 G HN 1.174 nan 8.290 nan 0.000 0.515 217 Q N -0.614 119.096 119.800 -0.149 0.000 2.013 217 Q HA 0.196 4.533 4.340 -0.004 0.000 0.195 217 Q C 2.634 178.356 176.000 -0.463 0.000 0.974 217 Q CA 2.461 58.056 55.803 -0.346 0.000 0.826 217 Q CB 0.007 28.477 28.738 -0.446 0.000 0.895 217 Q HN 1.065 nan 8.270 nan 0.000 0.448 218 V N -3.085 116.697 119.914 -0.220 0.000 3.635 218 V HA 0.469 4.587 4.120 -0.004 0.000 0.266 218 V C 0.891 177.052 176.094 0.112 0.000 1.316 218 V CA 0.252 62.520 62.300 -0.052 0.000 1.060 218 V CB 0.070 31.882 31.823 -0.019 0.000 0.820 218 V HN 0.254 nan 8.190 nan 0.000 0.447 219 G N 1.527 110.371 108.800 0.073 0.000 2.616 219 G HA2 0.427 4.384 3.960 -0.004 0.000 0.268 219 G HA3 0.427 4.384 3.960 -0.004 0.000 0.268 219 G C 0.217 175.241 174.900 0.206 0.000 1.213 219 G CA 0.468 45.638 45.100 0.116 0.000 0.926 219 G HN 0.818 nan 8.290 nan 0.000 0.523 220 S N -0.173 115.598 115.700 0.119 0.000 2.655 220 S HA 0.321 4.788 4.470 -0.004 0.000 0.265 220 S C -1.560 173.106 174.600 0.109 0.000 1.240 220 S CA -0.863 57.396 58.200 0.099 0.000 0.986 220 S CB 1.671 64.898 63.200 0.045 0.000 0.985 220 S HN 0.210 nan 8.310 nan 0.000 0.562 221 P HA -0.075 nan 4.420 nan 0.000 0.221 221 P C 1.255 178.604 177.300 0.082 0.000 1.145 221 P CA 1.156 64.317 63.100 0.102 0.000 0.795 221 P CB -0.007 31.743 31.700 0.083 0.000 0.775 222 E N -0.198 120.037 120.200 0.058 0.000 2.153 222 E HA -0.134 4.213 4.350 -0.004 0.000 0.194 222 E C 1.716 178.336 176.600 0.033 0.000 0.988 222 E CA 1.088 57.512 56.400 0.040 0.000 0.811 222 E CB -1.078 28.637 29.700 0.026 0.000 0.746 222 E HN -0.011 nan 8.360 nan 0.000 0.466 223 V N -0.443 119.495 119.914 0.041 0.000 2.453 223 V HA -0.174 3.943 4.120 -0.004 0.000 0.247 223 V C 2.301 178.417 176.094 0.037 0.000 1.048 223 V CA 1.340 63.655 62.300 0.025 0.000 1.049 223 V CB -0.190 31.652 31.823 0.032 0.000 0.672 223 V HN 0.172 nan 8.190 nan 0.000 0.457 224 V N 0.001 119.960 119.914 0.074 0.000 2.358 224 V HA -0.222 3.896 4.120 -0.004 0.000 0.246 224 V C 2.540 178.674 176.094 0.067 0.000 1.047 224 V CA 2.164 64.520 62.300 0.093 0.000 1.035 224 V CB -0.779 31.139 31.823 0.157 0.000 0.658 224 V HN 0.466 nan 8.190 nan 0.000 0.452 225 R N 0.263 120.801 120.500 0.062 0.000 2.091 225 R HA -0.214 4.124 4.340 -0.004 0.000 0.238 225 R C 2.287 178.599 176.300 0.019 0.000 1.136 225 R CA 2.108 58.236 56.100 0.046 0.000 0.959 225 R CB -0.172 30.155 30.300 0.044 0.000 0.856 225 R HN 0.644 nan 8.270 nan 0.000 0.437 226 E N -0.322 119.880 120.200 0.004 0.000 2.150 226 E HA -0.134 4.213 4.350 -0.004 0.000 0.193 226 E C 1.931 178.501 176.600 -0.051 0.000 0.985 226 E CA 0.871 57.258 56.400 -0.023 0.000 0.814 226 E CB -0.059 29.618 29.700 -0.038 0.000 0.752 226 E HN 0.437 nan 8.360 nan 0.000 0.466 227 A N 1.045 123.835 122.820 -0.050 0.000 1.902 227 A HA -0.152 4.165 4.320 -0.004 0.000 0.217 227 A C 2.483 180.030 177.584 -0.061 0.000 1.181 227 A CA 1.269 53.254 52.037 -0.087 0.000 0.623 227 A CB -0.583 18.394 19.000 -0.037 0.000 0.818 227 A HN 0.115 nan 8.150 nan 0.000 0.443 228 V N 0.116 120.020 119.914 -0.016 0.000 2.302 228 V HA -0.149 3.968 4.120 -0.004 0.000 0.243 228 V C 2.100 178.198 176.094 0.006 0.000 1.036 228 V CA 2.196 64.498 62.300 0.003 0.000 1.020 228 V CB -0.652 31.182 31.823 0.020 0.000 0.657 228 V HN 0.472 nan 8.190 nan 0.000 0.453 229 D N -0.450 119.954 120.400 0.006 0.000 2.183 229 D HA 0.018 4.655 4.640 -0.004 0.000 0.205 229 D C 2.008 178.313 176.300 0.008 0.000 0.962 229 D CA 0.990 54.998 54.000 0.012 0.000 0.849 229 D CB 0.166 40.975 40.800 0.014 0.000 0.978 229 D HN 0.280 nan 8.370 nan 0.000 0.488 230 I N -0.162 120.404 120.570 -0.007 0.000 2.729 230 I HA -0.039 4.129 4.170 -0.004 0.000 0.256 230 I C 1.714 177.826 176.117 -0.008 0.000 1.115 230 I CA 0.376 61.673 61.300 -0.005 0.000 1.446 230 I CB -0.309 37.681 38.000 -0.016 0.000 1.176 230 I HN -0.020 nan 8.210 nan 0.000 0.446 231 L N 0.988 122.169 121.223 -0.069 0.000 2.446 231 L HA 0.106 4.443 4.340 -0.004 0.000 0.219 231 L C 0.503 177.372 176.870 -0.001 0.000 1.116 231 L CA 0.545 55.294 54.840 -0.152 0.000 0.844 231 L CB -0.579 41.175 42.059 -0.507 0.000 0.970 231 L HN 0.191 nan 8.230 nan 0.000 0.457 232 K N -0.016 120.394 120.400 0.017 0.000 3.125 232 K HA -0.184 4.134 4.320 -0.004 0.000 0.268 232 K C 0.535 177.191 176.600 0.093 0.000 1.078 232 K CA 0.745 57.070 56.287 0.063 0.000 0.775 232 K CB -2.892 29.661 32.500 0.087 0.000 1.253 232 K HN 0.348 nan 8.250 nan 0.000 0.486 233 T N -0.240 114.350 114.554 0.059 0.000 2.813 233 T HA 0.200 4.548 4.350 -0.004 0.000 0.297 233 T C 1.355 176.123 174.700 0.113 0.000 1.036 233 T CA 0.023 62.187 62.100 0.108 0.000 1.044 233 T CB 0.646 69.548 68.868 0.056 0.000 0.993 233 T HN 0.335 nan 8.240 nan 0.000 0.535 234 E N 1.242 121.545 120.200 0.170 0.000 2.413 234 E HA 0.190 4.537 4.350 -0.004 0.000 0.203 234 E C 0.457 177.154 176.600 0.161 0.000 0.957 234 E CA 0.146 56.655 56.400 0.181 0.000 0.950 234 E CB 0.672 30.535 29.700 0.272 0.000 0.957 234 E HN 0.444 nan 8.360 nan 0.000 0.497 235 R N 0.259 120.867 120.500 0.179 0.000 2.799 235 R HA 0.536 4.874 4.340 -0.004 0.000 0.270 235 R C -1.264 175.063 176.300 0.046 0.000 1.010 235 R CA -0.780 55.371 56.100 0.085 0.000 0.916 235 R CB 2.379 32.758 30.300 0.132 0.000 1.228 235 R HN -0.186 nan 8.270 nan 0.000 0.469 236 V N 0.818 120.699 119.914 -0.054 0.000 2.409 236 V HA 0.447 4.565 4.120 -0.004 0.000 0.291 236 V C 0.375 176.505 176.094 0.061 0.000 1.020 236 V CA -0.831 61.464 62.300 -0.009 0.000 0.848 236 V CB 1.711 33.479 31.823 -0.091 0.000 0.990 236 V HN 0.934 nan 8.190 nan 0.000 0.430 237 G N 3.050 111.900 108.800 0.082 0.000 2.364 237 G HA2 0.486 4.444 3.960 -0.004 0.000 0.267 237 G HA3 0.486 4.444 3.960 -0.004 0.000 0.267 237 G C 0.362 175.264 174.900 0.002 0.000 1.233 237 G CA 0.436 45.523 45.100 -0.022 0.000 0.885 237 G HN 0.976 nan 8.290 nan 0.000 0.490 238 H N 2.021 121.136 119.070 0.075 0.000 1.576 238 H HA -0.330 4.224 4.556 -0.005 0.000 0.090 238 H C 2.160 177.636 175.328 0.248 0.000 0.620 238 H CA 1.943 58.047 56.048 0.094 0.000 1.887 238 H CB -1.467 28.309 29.762 0.023 0.000 2.237 238 H HN 2.010 nan 8.280 nan 0.000 0.959 239 G N 1.174 110.198 108.800 0.373 0.000 2.184 239 G HA2 -0.369 3.589 3.960 -0.004 0.000 0.264 239 G HA3 -0.369 3.589 3.960 -0.004 0.000 0.264 239 G C 0.927 176.025 174.900 0.329 0.000 0.975 239 G CA 1.623 47.002 45.100 0.466 0.000 0.642 239 G HN 0.554 nan 8.290 nan 0.000 0.536 240 E N -0.110 120.184 120.200 0.157 0.000 2.085 240 E HA -0.077 4.270 4.350 -0.004 0.000 0.194 240 E C 1.792 178.426 176.600 0.057 0.000 0.994 240 E CA 1.539 57.921 56.400 -0.031 0.000 0.801 240 E CB -0.362 29.241 29.700 -0.163 0.000 0.743 240 E HN 0.838 nan 8.360 nan 0.000 0.453 241 H N -0.803 118.263 119.070 -0.007 0.000 2.563 241 H HA 0.042 4.595 4.556 -0.005 0.000 0.272 241 H C 1.291 176.623 175.328 0.007 0.000 1.005 241 H CA 0.585 56.620 56.048 -0.022 0.000 1.171 241 H CB 0.207 29.970 29.762 0.001 0.000 1.351 241 H HN 0.118 nan 8.280 nan 0.000 0.602 242 T N 1.479 116.132 114.554 0.166 0.000 2.788 242 T HA -0.147 4.200 4.350 -0.004 0.000 0.268 242 T C 2.163 176.887 174.700 0.040 0.000 1.044 242 T CA 1.281 63.479 62.100 0.163 0.000 1.139 242 T CB -0.230 68.820 68.868 0.303 0.000 0.867 242 T HN 0.560 nan 8.240 nan 0.000 0.454 243 I N 0.367 120.841 120.570 -0.159 0.000 2.657 243 I HA -0.080 4.087 4.170 -0.004 0.000 0.261 243 I C 1.897 177.947 176.117 -0.112 0.000 1.212 243 I CA 1.473 62.588 61.300 -0.308 0.000 1.453 243 I CB -0.575 37.119 38.000 -0.510 0.000 1.092 243 I HN 0.152 nan 8.210 nan 0.000 0.452 244 E N 0.885 121.050 120.200 -0.059 0.000 2.347 244 E HA -0.089 4.259 4.350 -0.004 0.000 0.196 244 E C 0.380 176.984 176.600 0.007 0.000 1.008 244 E CA 0.552 56.928 56.400 -0.040 0.000 0.852 244 E CB 0.028 29.690 29.700 -0.064 0.000 0.783 244 E HN 0.491 nan 8.360 nan 0.000 0.505 245 D N 0.369 120.798 120.400 0.048 0.000 2.461 245 D HA 0.019 4.656 4.640 -0.004 0.000 0.240 245 D C 0.489 176.862 176.300 0.122 0.000 1.094 245 D CA -0.092 53.953 54.000 0.074 0.000 0.868 245 D CB 0.902 41.752 40.800 0.083 0.000 1.062 245 D HN -0.114 nan 8.370 nan 0.000 0.530 246 E N 2.352 122.617 120.200 0.108 0.000 2.077 246 E HA -0.156 4.191 4.350 -0.004 0.000 0.193 246 E C 1.744 178.428 176.600 0.140 0.000 0.989 246 E CA 0.871 57.361 56.400 0.150 0.000 0.800 246 E CB -0.029 29.732 29.700 0.102 0.000 0.746 246 E HN 0.625 nan 8.360 nan 0.000 0.452 247 A N 1.372 124.248 122.820 0.095 0.000 1.883 247 A HA -0.181 4.136 4.320 -0.004 0.000 0.217 247 A C 2.297 179.936 177.584 0.091 0.000 1.186 247 A CA 1.534 53.615 52.037 0.074 0.000 0.624 247 A CB -0.706 18.326 19.000 0.055 0.000 0.822 247 A HN 0.250 nan 8.150 nan 0.000 0.444 248 L N -1.820 119.474 121.223 0.117 0.000 2.056 248 L HA -0.134 4.203 4.340 -0.004 0.000 0.207 248 L C 2.334 179.328 176.870 0.207 0.000 1.078 248 L CA 2.325 57.248 54.840 0.138 0.000 0.749 248 L CB -0.790 41.349 42.059 0.134 0.000 0.901 248 L HN 0.503 nan 8.230 nan 0.000 0.433 249 Y N 0.841 121.200 120.300 0.099 0.000 2.114 249 Y HA -0.306 4.241 4.550 -0.005 0.000 0.282 249 Y C 2.466 178.428 175.900 0.104 0.000 1.165 249 Y CA 2.189 60.359 58.100 0.117 0.000 1.148 249 Y CB -0.670 37.843 38.460 0.088 0.000 0.972 249 Y HN 0.383 nan 8.280 nan 0.000 0.504 250 N N 0.336 118.998 118.700 -0.062 0.000 2.188 250 N HA -0.196 4.542 4.740 -0.004 0.000 0.184 250 N C 2.100 177.562 175.510 -0.081 0.000 1.018 250 N CA 1.353 54.304 53.050 -0.166 0.000 0.858 250 N CB -0.431 38.008 38.487 -0.080 0.000 0.989 250 N HN 0.426 nan 8.380 nan 0.000 0.426 251 R N 1.462 121.959 120.500 -0.005 0.000 2.094 251 R HA -0.072 4.266 4.340 -0.004 0.000 0.239 251 R C 2.312 178.618 176.300 0.010 0.000 1.137 251 R CA 1.124 57.231 56.100 0.011 0.000 0.943 251 R CB -0.339 29.983 30.300 0.036 0.000 0.850 251 R HN 0.138 nan 8.270 nan 0.000 0.433 252 L N 0.452 121.704 121.223 0.049 0.000 2.042 252 L HA -0.207 4.130 4.340 -0.004 0.000 0.210 252 L C 2.546 179.433 176.870 0.028 0.000 1.076 252 L CA 0.820 55.701 54.840 0.069 0.000 0.749 252 L CB -0.629 41.560 42.059 0.215 0.000 0.893 252 L HN 0.285 nan 8.230 nan 0.000 0.432 253 L N 0.137 121.324 121.223 -0.061 0.000 2.012 253 L HA -0.209 4.129 4.340 -0.004 0.000 0.210 253 L C 2.547 179.378 176.870 -0.064 0.000 1.073 253 L CA 1.866 56.631 54.840 -0.125 0.000 0.748 253 L CB -0.555 41.277 42.059 -0.379 0.000 0.891 253 L HN 0.127 nan 8.230 nan 0.000 0.431 254 K N -0.415 119.948 120.400 -0.062 0.000 2.296 254 K HA -0.025 4.293 4.320 -0.004 0.000 0.200 254 K C 1.829 178.421 176.600 -0.013 0.000 1.048 254 K CA 0.690 56.957 56.287 -0.034 0.000 0.966 254 K CB -0.164 32.318 32.500 -0.030 0.000 0.754 254 K HN 0.497 nan 8.250 nan 0.000 0.466 255 E N 0.928 121.122 120.200 -0.009 0.000 2.511 255 E HA -0.090 4.257 4.350 -0.004 0.000 0.196 255 E C -0.120 176.481 176.600 0.001 0.000 1.066 255 E CA -0.139 56.261 56.400 -0.000 0.000 0.871 255 E CB -0.181 29.519 29.700 0.000 0.000 0.863 255 E HN 0.199 nan 8.360 nan 0.000 0.520 256 N N 0.485 119.185 118.700 0.001 0.000 2.747 256 N HA -0.216 4.521 4.740 -0.004 0.000 0.249 256 N C -0.427 175.080 175.510 -0.004 0.000 1.107 256 N CA 0.434 53.491 53.050 0.011 0.000 0.707 256 N CB -1.227 37.272 38.487 0.020 0.000 1.054 256 N HN 0.112 nan 8.380 nan 0.000 0.555 257 M N 1.126 120.694 119.600 -0.052 0.000 2.251 257 M HA 0.110 4.588 4.480 -0.004 0.000 0.343 257 M C 0.125 176.275 176.300 -0.250 0.000 1.245 257 M CA 0.142 55.339 55.300 -0.172 0.000 1.061 257 M CB 0.225 32.644 32.600 -0.301 0.000 1.723 257 M HN 0.264 nan 8.290 nan 0.000 0.449 258 H N 4.363 123.265 119.070 -0.279 0.000 2.620 258 H HA 0.403 4.957 4.556 -0.005 0.000 0.313 258 H C -1.536 173.557 175.328 -0.391 0.000 1.075 258 H CA 0.001 55.914 56.048 -0.225 0.000 1.397 258 H CB 0.253 29.938 29.762 -0.129 0.000 1.446 258 H HN 0.612 nan 8.280 nan 0.000 0.493 259 F N 3.266 122.930 119.950 -0.476 0.000 2.405 259 F HA 0.192 4.716 4.527 -0.004 0.000 0.355 259 F C 0.429 176.094 175.800 -0.225 0.000 1.121 259 F CA -0.605 57.233 58.000 -0.269 0.000 1.112 259 F CB 1.084 39.891 39.000 -0.322 0.000 1.126 259 F HN 0.576 nan 8.300 nan 0.000 0.481 260 E N 3.155 123.426 120.200 0.117 0.000 1.924 260 E HA 0.261 4.609 4.350 -0.004 0.000 0.261 260 E C -0.738 175.878 176.600 0.027 0.000 1.088 260 E CA -0.424 56.065 56.400 0.149 0.000 0.909 260 E CB 0.824 30.641 29.700 0.195 0.000 1.112 260 E HN 0.285 nan 8.360 nan 0.000 0.425 261 V N 2.428 122.427 119.914 0.141 0.000 2.530 261 V HA 0.036 4.154 4.120 -0.004 0.000 0.282 261 V C 0.072 176.181 176.094 0.025 0.000 1.048 261 V CA -0.499 61.868 62.300 0.113 0.000 0.997 261 V CB 0.992 32.931 31.823 0.192 0.000 0.987 261 V HN 0.792 nan 8.190 nan 0.000 0.477 262 C N 7.331 126.639 119.300 0.014 0.000 2.816 262 C HA 0.337 4.794 4.460 -0.004 0.000 0.255 262 C C -1.116 173.904 174.990 0.050 0.000 1.141 262 C CA -0.918 58.130 59.018 0.050 0.000 1.554 262 C CB 0.443 28.232 27.740 0.081 0.000 1.778 262 C HN 0.705 nan 8.230 nan 0.000 0.429 263 P HA -0.138 nan 4.420 nan 0.000 0.215 263 P C 1.743 179.074 177.300 0.053 0.000 1.157 263 P CA 1.301 64.295 63.100 -0.177 0.000 0.863 263 P CB 0.075 31.556 31.700 -0.364 0.000 0.787 264 W N 0.505 121.750 121.300 -0.092 0.000 2.418 264 W HA -0.111 4.547 4.660 -0.004 0.000 0.292 264 W C 2.303 178.698 176.519 -0.207 0.000 1.213 264 W CA 1.284 58.597 57.345 -0.054 0.000 1.283 264 W CB -0.357 29.098 29.460 -0.008 0.000 1.119 264 W HN -0.024 nan 8.180 nan 0.000 0.542 265 S N 0.637 116.144 115.700 -0.322 0.000 2.383 265 S HA -0.245 4.222 4.470 -0.004 0.000 0.229 265 S C 2.042 176.308 174.600 -0.557 0.000 1.030 265 S CA 2.387 60.094 58.200 -0.822 0.000 1.002 265 S CB -0.703 62.434 63.200 -0.106 0.000 0.829 265 S HN 0.375 nan 8.310 nan 0.000 0.467 266 S N -0.611 114.982 115.700 -0.179 0.000 2.461 266 S HA -0.054 4.414 4.470 -0.004 0.000 0.228 266 S C 1.730 176.357 174.600 0.045 0.000 1.005 266 S CA 0.657 58.833 58.200 -0.040 0.000 0.942 266 S CB -0.760 62.531 63.200 0.152 0.000 0.776 266 S HN 0.723 nan 8.310 nan 0.000 0.514 267 Y N 2.195 122.453 120.300 -0.071 0.000 2.184 267 Y HA 0.233 4.781 4.550 -0.004 0.000 0.290 267 Y C 1.806 177.496 175.900 -0.350 0.000 1.129 267 Y CA 1.159 59.215 58.100 -0.073 0.000 1.144 267 Y CB -0.420 37.993 38.460 -0.077 0.000 0.995 267 Y HN 0.237 nan 8.280 nan 0.000 0.513 268 L N -0.174 120.538 121.223 -0.852 0.000 2.313 268 L HA -0.067 4.270 4.340 -0.004 0.000 0.214 268 L C 2.119 178.675 176.870 -0.523 0.000 1.119 268 L CA 1.435 55.776 54.840 -0.832 0.000 0.809 268 L CB -0.629 40.915 42.059 -0.858 0.000 0.933 268 L HN 0.354 nan 8.230 nan 0.000 0.449 269 T N -3.869 110.391 114.554 -0.489 0.000 3.129 269 T HA 0.180 4.527 4.350 -0.004 0.000 0.251 269 T C 1.513 176.080 174.700 -0.222 0.000 1.117 269 T CA 0.423 62.331 62.100 -0.321 0.000 1.034 269 T CB 0.308 68.959 68.868 -0.362 0.000 0.968 269 T HN 0.429 nan 8.240 nan 0.000 0.526 270 G N 0.909 109.544 108.800 -0.275 0.000 2.168 270 G HA2 -0.273 3.684 3.960 -0.004 0.000 0.263 270 G HA3 -0.273 3.684 3.960 -0.004 0.000 0.263 270 G C 1.197 176.033 174.900 -0.106 0.000 0.977 270 G CA 0.240 45.218 45.100 -0.205 0.000 0.659 270 G HN 1.085 nan 8.290 nan 0.000 0.533 271 A N -1.136 121.628 122.820 -0.093 0.000 1.978 271 A HA 0.244 4.561 4.320 -0.004 0.000 0.220 271 A C 1.122 178.791 177.584 0.142 0.000 1.170 271 A CA 1.778 53.801 52.037 -0.022 0.000 0.636 271 A CB -0.153 18.750 19.000 -0.161 0.000 0.810 271 A HN 1.417 nan 8.150 nan 0.000 0.448 272 W N 0.761 122.000 121.300 -0.103 0.000 2.532 272 W HA 0.543 5.200 4.660 -0.005 0.000 0.321 272 W C -1.317 175.172 176.519 -0.050 0.000 1.037 272 W CA -1.768 55.516 57.345 -0.102 0.000 1.220 272 W CB 0.934 30.310 29.460 -0.141 0.000 1.361 272 W HN 0.090 nan 8.180 nan 0.000 0.468 273 D N 8.355 128.458 120.400 -0.495 0.000 2.365 273 D HA 0.207 4.844 4.640 -0.004 0.000 0.237 273 D C -1.398 174.249 176.300 -1.089 0.000 1.190 273 D CA -2.371 51.268 54.000 -0.601 0.000 0.867 273 D CB 1.788 42.410 40.800 -0.298 0.000 1.050 273 D HN 0.228 nan 8.370 nan 0.000 0.491 274 P HA -0.034 nan 4.420 nan 0.000 0.242 274 P C 0.514 177.507 177.300 -0.510 0.000 1.197 274 P CA 0.429 62.712 63.100 -1.363 0.000 0.765 274 P CB 0.320 31.512 31.700 -0.847 0.000 0.936 275 K N -1.086 119.107 120.400 -0.346 0.000 2.487 275 K HA 0.105 4.423 4.320 -0.004 0.000 0.192 275 K C 0.723 177.277 176.600 -0.077 0.000 1.027 275 K CA 0.482 56.677 56.287 -0.154 0.000 1.054 275 K CB 0.028 32.451 32.500 -0.128 0.000 0.824 275 K HN 0.031 nan 8.250 nan 0.000 0.510 276 T N 0.765 115.273 114.554 -0.077 0.000 2.895 276 T HA 0.160 4.508 4.350 -0.004 0.000 0.283 276 T C -0.553 174.339 174.700 0.320 0.000 1.014 276 T CA -0.751 61.392 62.100 0.071 0.000 1.037 276 T CB 1.311 70.200 68.868 0.035 0.000 1.006 276 T HN 0.207 nan 8.240 nan 0.000 0.468 277 T N 1.823 116.501 114.554 0.206 0.000 2.834 277 T HA 0.163 4.511 4.350 -0.004 0.000 0.298 277 T C 0.311 175.102 174.700 0.151 0.000 0.966 277 T CA -0.614 61.601 62.100 0.191 0.000 1.141 277 T CB 0.165 69.071 68.868 0.063 0.000 0.905 277 T HN 0.576 nan 8.240 nan 0.000 0.535 278 H N 2.588 121.601 119.070 -0.095 0.000 2.972 278 H HA 0.158 4.712 4.556 -0.004 0.000 0.343 278 H C 1.429 176.482 175.328 -0.458 0.000 1.054 278 H CA 0.509 56.215 56.048 -0.570 0.000 1.412 278 H CB 0.898 30.016 29.762 -1.073 0.000 1.385 278 H HN 0.893 nan 8.280 nan 0.000 0.600 279 A N 4.926 127.420 122.820 -0.544 0.000 2.019 279 A HA -0.125 4.192 4.320 -0.004 0.000 0.219 279 A C 2.498 179.556 177.584 -0.877 0.000 1.164 279 A CA 1.269 52.907 52.037 -0.665 0.000 0.644 279 A CB -0.549 17.952 19.000 -0.830 0.000 0.805 279 A HN 0.553 nan 8.150 nan 0.000 0.449 280 V N -0.290 119.338 119.914 -0.478 0.000 2.759 280 V HA -0.155 3.962 4.120 -0.004 0.000 0.256 280 V C 2.329 178.264 176.094 -0.265 0.000 1.080 280 V CA 1.964 63.913 62.300 -0.585 0.000 1.101 280 V CB -0.298 31.215 31.823 -0.516 0.000 0.698 280 V HN 0.353 nan 8.190 nan 0.000 0.477 281 V N 0.526 120.342 119.914 -0.163 0.000 2.343 281 V HA -0.258 3.860 4.120 -0.004 0.000 0.247 281 V C 2.554 178.596 176.094 -0.086 0.000 1.051 281 V CA 2.559 64.839 62.300 -0.034 0.000 1.036 281 V CB -0.872 30.935 31.823 -0.027 0.000 0.654 281 V HN 0.622 nan 8.190 nan 0.000 0.451 282 R N -0.268 120.130 120.500 -0.170 0.000 2.066 282 R HA -0.123 4.214 4.340 -0.004 0.000 0.232 282 R C 2.157 178.492 176.300 0.059 0.000 1.131 282 R CA 1.709 57.754 56.100 -0.091 0.000 0.955 282 R CB -0.496 29.701 30.300 -0.172 0.000 0.851 282 R HN 0.336 nan 8.270 nan 0.000 0.432 283 F N 1.703 121.549 119.950 -0.172 0.000 2.065 283 F HA -0.220 4.304 4.527 -0.004 0.000 0.298 283 F C 2.254 178.019 175.800 -0.058 0.000 1.112 283 F CA 1.718 59.616 58.000 -0.170 0.000 1.212 283 F CB -1.238 37.449 39.000 -0.521 0.000 0.975 283 F HN 0.162 nan 8.300 nan 0.000 0.476 284 K N 0.291 120.731 120.400 0.066 0.000 2.020 284 K HA -0.239 4.078 4.320 -0.004 0.000 0.212 284 K C 1.866 178.464 176.600 -0.004 0.000 1.050 284 K CA 1.941 58.242 56.287 0.023 0.000 0.929 284 K CB -0.214 32.112 32.500 -0.289 0.000 0.714 284 K HN 0.133 nan 8.250 nan 0.000 0.443 285 N N 1.250 119.944 118.700 -0.010 0.000 2.244 285 N HA -0.117 4.620 4.740 -0.004 0.000 0.183 285 N C 0.822 176.354 175.510 0.038 0.000 1.016 285 N CA 1.201 54.248 53.050 -0.005 0.000 0.866 285 N CB -0.259 38.224 38.487 -0.005 0.000 0.980 285 N HN 0.287 nan 8.380 nan 0.000 0.430 286 D N 0.941 121.398 120.400 0.096 0.000 2.363 286 D HA -0.008 4.629 4.640 -0.004 0.000 0.226 286 D C 0.212 176.562 176.300 0.084 0.000 1.020 286 D CA 0.265 54.327 54.000 0.104 0.000 0.892 286 D CB 0.110 41.019 40.800 0.181 0.000 0.900 286 D HN -0.023 nan 8.370 nan 0.000 0.531 287 K N -0.598 119.854 120.400 0.087 0.000 3.071 287 K HA -0.181 4.137 4.320 -0.004 0.000 0.265 287 K C 0.135 176.806 176.600 0.118 0.000 1.060 287 K CA 0.582 56.919 56.287 0.082 0.000 0.767 287 K CB -2.459 30.063 32.500 0.038 0.000 1.241 287 K HN 0.276 nan 8.250 nan 0.000 0.486 288 A N 0.967 123.902 122.820 0.193 0.000 2.327 288 A HA 0.220 4.537 4.320 -0.004 0.000 0.255 288 A C 0.570 178.289 177.584 0.226 0.000 1.099 288 A CA -0.004 52.142 52.037 0.182 0.000 0.801 288 A CB 0.223 19.292 19.000 0.114 0.000 1.062 288 A HN 0.447 nan 8.150 nan 0.000 0.496 289 N N 0.202 118.998 118.700 0.159 0.000 2.415 289 N HA 0.465 5.203 4.740 -0.004 0.000 0.246 289 N C -1.289 174.235 175.510 0.023 0.000 1.078 289 N CA -0.179 52.937 53.050 0.109 0.000 0.942 289 N CB 0.199 38.753 38.487 0.113 0.000 1.140 289 N HN 0.607 nan 8.380 nan 0.000 0.501 290 Y N 0.514 120.733 120.300 -0.134 0.000 2.624 290 Y HA 0.509 5.057 4.550 -0.005 0.000 0.334 290 Y C -1.276 174.641 175.900 0.029 0.000 1.155 290 Y CA -1.203 56.707 58.100 -0.317 0.000 1.046 290 Y CB 0.572 39.009 38.460 -0.039 0.000 1.316 290 Y HN 0.274 nan 8.280 nan 0.000 0.457 291 S N 2.027 117.810 115.700 0.137 0.000 2.689 291 S HA 0.799 5.267 4.470 -0.004 0.000 0.306 291 S C -1.713 173.041 174.600 0.256 0.000 1.104 291 S CA -0.804 57.524 58.200 0.214 0.000 0.973 291 S CB 2.040 65.464 63.200 0.372 0.000 1.121 291 S HN 0.647 nan 8.310 nan 0.000 0.523 292 L N 2.102 123.423 121.223 0.163 0.000 2.322 292 L HA 0.640 4.978 4.340 -0.004 0.000 0.281 292 L C -0.755 176.209 176.870 0.155 0.000 1.014 292 L CA -0.315 54.574 54.840 0.081 0.000 0.815 292 L CB 0.956 42.879 42.059 -0.227 0.000 1.247 292 L HN 0.910 nan 8.230 nan 0.000 0.421 293 N N -0.610 118.177 118.700 0.146 0.000 2.494 293 N HA 0.519 5.256 4.740 -0.004 0.000 0.270 293 N C 0.474 176.121 175.510 0.228 0.000 1.285 293 N CA -0.307 52.864 53.050 0.201 0.000 0.812 293 N CB 1.720 40.325 38.487 0.196 0.000 1.557 293 N HN 0.581 nan 8.380 nan 0.000 0.487 294 T N -2.955 111.772 114.554 0.289 0.000 3.035 294 T HA 0.094 4.441 4.350 -0.004 0.000 0.259 294 T C 0.667 175.655 174.700 0.480 0.000 1.078 294 T CA 1.061 63.376 62.100 0.357 0.000 1.132 294 T CB -0.065 69.000 68.868 0.329 0.000 0.900 294 T HN 0.620 nan 8.240 nan 0.000 0.480 295 D N 1.678 122.378 120.400 0.501 0.000 4.376 295 D HA -0.181 4.456 4.640 -0.004 0.000 0.184 295 D C -0.808 175.903 176.300 0.685 0.000 0.937 295 D CA 2.045 56.459 54.000 0.689 0.000 2.091 295 D CB -1.485 39.723 40.800 0.680 0.000 1.128 295 D HN 0.557 nan 8.370 nan 0.000 0.422 296 D N 0.483 121.166 120.400 0.472 0.000 2.513 296 D HA 0.217 4.854 4.640 -0.004 0.000 0.295 296 D C -1.911 174.387 176.300 -0.003 0.000 1.202 296 D CA -0.848 53.241 54.000 0.149 0.000 0.849 296 D CB 1.702 42.459 40.800 -0.070 0.000 1.116 296 D HN 0.248 nan 8.370 nan 0.000 0.502 297 P HA -0.156 nan 4.420 nan 0.000 0.219 297 P C 1.802 179.174 177.300 0.119 0.000 1.146 297 P CA 0.301 63.537 63.100 0.227 0.000 0.808 297 P CB 0.668 32.495 31.700 0.213 0.000 0.779 298 L N -0.332 120.907 121.223 0.027 0.000 2.017 298 L HA -0.108 4.230 4.340 -0.004 0.000 0.208 298 L C 2.370 179.203 176.870 -0.062 0.000 1.073 298 L CA 1.884 56.690 54.840 -0.057 0.000 0.745 298 L CB -1.237 40.717 42.059 -0.176 0.000 0.894 298 L HN -0.195 nan 8.230 nan 0.000 0.432 299 I N -1.511 118.977 120.570 -0.136 0.000 2.500 299 I HA -0.160 4.007 4.170 -0.004 0.000 0.252 299 I C 1.262 177.447 176.117 0.115 0.000 1.142 299 I CA 0.573 61.820 61.300 -0.087 0.000 1.451 299 I CB -0.137 37.770 38.000 -0.155 0.000 1.093 299 I HN 0.133 nan 8.210 nan 0.000 0.430 300 F N 1.092 121.208 119.950 0.276 0.000 2.765 300 F HA 0.170 4.695 4.527 -0.005 0.000 0.302 300 F C 0.890 176.940 175.800 0.417 0.000 1.111 300 F CA -0.649 57.553 58.000 0.337 0.000 1.359 300 F CB -0.968 38.253 39.000 0.369 0.000 1.097 300 F HN -0.110 nan 8.300 nan 0.000 0.577 301 K N 0.831 121.462 120.400 0.384 0.000 3.150 301 K HA -0.177 4.141 4.320 -0.004 0.000 0.267 301 K C 0.084 176.830 176.600 0.244 0.000 1.028 301 K CA 0.665 57.110 56.287 0.263 0.000 0.753 301 K CB -1.760 30.889 32.500 0.248 0.000 1.288 301 K HN 0.422 nan 8.250 nan 0.000 0.473 302 S N -1.840 114.012 115.700 0.254 0.000 2.704 302 S HA 0.795 5.262 4.470 -0.004 0.000 0.296 302 S C 0.007 174.674 174.600 0.113 0.000 1.138 302 S CA -0.185 58.115 58.200 0.167 0.000 0.875 302 S CB 2.573 65.966 63.200 0.321 0.000 1.151 302 S HN 0.314 nan 8.310 nan 0.000 0.500 303 T N -1.968 112.618 114.554 0.053 0.000 2.831 303 T HA 0.560 4.907 4.350 -0.004 0.000 0.287 303 T C 0.571 175.304 174.700 0.053 0.000 1.070 303 T CA -0.731 61.391 62.100 0.037 0.000 1.010 303 T CB 0.659 69.514 68.868 -0.022 0.000 1.264 303 T HN 0.484 nan 8.240 nan 0.000 0.532 304 L N 0.845 122.090 121.223 0.037 0.000 2.191 304 L HA 0.112 4.450 4.340 -0.004 0.000 0.212 304 L C 1.995 178.912 176.870 0.078 0.000 1.103 304 L CA 2.060 56.952 54.840 0.086 0.000 0.769 304 L CB -1.226 40.855 42.059 0.036 0.000 0.908 304 L HN 0.940 nan 8.230 nan 0.000 0.438 305 D N -1.887 118.494 120.400 -0.031 0.000 2.219 305 D HA -0.168 4.469 4.640 -0.004 0.000 0.205 305 D C 1.861 178.148 176.300 -0.021 0.000 0.970 305 D CA 1.360 55.332 54.000 -0.048 0.000 0.851 305 D CB 0.220 40.965 40.800 -0.092 0.000 0.943 305 D HN 0.349 nan 8.370 nan 0.000 0.488 306 T N 0.035 114.554 114.554 -0.058 0.000 2.652 306 T HA -0.170 4.177 4.350 -0.004 0.000 0.267 306 T C 1.367 175.991 174.700 -0.126 0.000 1.039 306 T CA 1.507 63.503 62.100 -0.174 0.000 1.153 306 T CB -0.343 68.357 68.868 -0.279 0.000 0.863 306 T HN 0.288 nan 8.240 nan 0.000 0.428 307 D N -0.039 120.366 120.400 0.008 0.000 2.144 307 D HA -0.077 4.561 4.640 -0.004 0.000 0.199 307 D C 1.946 178.193 176.300 -0.088 0.000 0.984 307 D CA 1.147 55.147 54.000 -0.001 0.000 0.834 307 D CB -0.199 40.640 40.800 0.064 0.000 0.955 307 D HN 0.475 nan 8.370 nan 0.000 0.465 308 Y N 1.443 121.645 120.300 -0.162 0.000 2.242 308 Y HA -0.137 4.410 4.550 -0.004 0.000 0.291 308 Y C 2.821 178.655 175.900 -0.109 0.000 1.137 308 Y CA 0.693 58.650 58.100 -0.237 0.000 1.181 308 Y CB 0.020 38.234 38.460 -0.410 0.000 0.989 308 Y HN -0.119 nan 8.280 nan 0.000 0.527 309 Q N -0.171 119.654 119.800 0.042 0.000 2.084 309 Q HA -0.260 4.078 4.340 -0.004 0.000 0.202 309 Q C 2.397 178.371 176.000 -0.043 0.000 0.978 309 Q CA 1.643 57.448 55.803 0.003 0.000 0.844 309 Q CB -0.507 28.199 28.738 -0.053 0.000 0.898 309 Q HN 0.589 nan 8.270 nan 0.000 0.426 310 M N 0.644 120.180 119.600 -0.107 0.000 2.086 310 M HA -0.184 4.294 4.480 -0.004 0.000 0.261 310 M C 2.189 178.379 176.300 -0.184 0.000 1.067 310 M CA 2.206 57.427 55.300 -0.132 0.000 1.116 310 M CB -0.221 32.306 32.600 -0.122 0.000 1.348 310 M HN 0.329 nan 8.290 nan 0.000 0.407 311 T N -1.728 112.652 114.554 -0.290 0.000 2.857 311 T HA -0.159 4.188 4.350 -0.004 0.000 0.266 311 T C 1.774 176.371 174.700 -0.171 0.000 1.048 311 T CA 1.515 63.298 62.100 -0.529 0.000 1.139 311 T CB -0.424 67.765 68.868 -1.130 0.000 0.874 311 T HN 0.458 nan 8.240 nan 0.000 0.455 312 K N 1.126 121.583 120.400 0.095 0.000 2.002 312 K HA -0.085 4.232 4.320 -0.004 0.000 0.209 312 K C 2.584 179.236 176.600 0.087 0.000 1.048 312 K CA 1.263 57.668 56.287 0.196 0.000 0.930 312 K CB -0.122 32.566 32.500 0.313 0.000 0.714 312 K HN 0.251 nan 8.250 nan 0.000 0.438 313 K N -0.102 120.323 120.400 0.042 0.000 2.025 313 K HA -0.110 4.207 4.320 -0.004 0.000 0.207 313 K C 1.280 177.888 176.600 0.014 0.000 1.049 313 K CA 1.709 58.010 56.287 0.022 0.000 0.933 313 K CB 0.080 32.581 32.500 0.001 0.000 0.714 313 K HN 0.253 nan 8.250 nan 0.000 0.438 314 D N -0.882 119.512 120.400 -0.009 0.000 2.360 314 D HA 0.074 4.712 4.640 -0.004 0.000 0.210 314 D C 1.008 177.309 176.300 0.002 0.000 1.047 314 D CA 0.606 54.606 54.000 0.000 0.000 0.854 314 D CB 0.620 41.423 40.800 0.005 0.000 0.936 314 D HN 0.198 nan 8.370 nan 0.000 0.514 315 M N -1.209 118.393 119.600 0.004 0.000 2.314 315 M HA 0.224 4.702 4.480 -0.004 0.000 0.383 315 M C 0.741 177.153 176.300 0.187 0.000 0.984 315 M CA -0.061 55.276 55.300 0.061 0.000 0.982 315 M CB 2.054 34.623 32.600 -0.052 0.000 1.745 315 M HN -0.066 nan 8.290 nan 0.000 0.600 316 G N 1.609 110.480 108.800 0.118 0.000 2.258 316 G HA2 -0.270 3.687 3.960 -0.004 0.000 0.274 316 G HA3 -0.270 3.687 3.960 -0.004 0.000 0.274 316 G C -0.252 174.693 174.900 0.076 0.000 1.021 316 G CA -0.023 45.122 45.100 0.076 0.000 0.798 316 G HN 0.368 nan 8.290 nan 0.000 0.507 317 F N 1.622 121.462 119.950 -0.183 0.000 2.529 317 F HA 0.455 4.979 4.527 -0.004 0.000 0.365 317 F C 1.566 177.060 175.800 -0.510 0.000 1.102 317 F CA 0.221 57.987 58.000 -0.390 0.000 1.271 317 F CB 0.791 39.505 39.000 -0.475 0.000 1.120 317 F HN 0.262 nan 8.300 nan 0.000 0.579 318 T N -0.874 113.375 114.554 -0.509 0.000 2.948 318 T HA 0.276 4.623 4.350 -0.004 0.000 0.285 318 T C 1.016 175.386 174.700 -0.549 0.000 1.019 318 T CA -0.668 61.199 62.100 -0.389 0.000 1.013 318 T CB 1.452 70.179 68.868 -0.235 0.000 1.117 318 T HN 0.703 nan 8.240 nan 0.000 0.533 319 E N 0.200 120.299 120.200 -0.168 0.000 2.110 319 E HA -0.215 4.132 4.350 -0.004 0.000 0.193 319 E C 1.811 178.352 176.600 -0.099 0.000 0.988 319 E CA 1.395 57.823 56.400 0.046 0.000 0.804 319 E CB -0.085 29.721 29.700 0.176 0.000 0.745 319 E HN 0.773 nan 8.360 nan 0.000 0.458 320 E N 0.065 120.176 120.200 -0.148 0.000 2.049 320 E HA -0.270 4.078 4.350 -0.004 0.000 0.198 320 E C 2.050 178.516 176.600 -0.225 0.000 1.007 320 E CA 1.574 57.879 56.400 -0.159 0.000 0.809 320 E CB -0.065 29.554 29.700 -0.136 0.000 0.749 320 E HN 0.203 nan 8.360 nan 0.000 0.450 321 E N 0.120 120.115 120.200 -0.341 0.000 2.110 321 E HA -0.172 4.175 4.350 -0.004 0.000 0.193 321 E C 1.696 178.125 176.600 -0.284 0.000 0.988 321 E CA 1.013 57.194 56.400 -0.366 0.000 0.804 321 E CB -0.241 29.110 29.700 -0.583 0.000 0.745 321 E HN 0.142 nan 8.360 nan 0.000 0.458 322 F N 1.080 120.840 119.950 -0.316 0.000 2.095 322 F HA -0.125 4.400 4.527 -0.004 0.000 0.298 322 F C 2.127 177.592 175.800 -0.558 0.000 1.104 322 F CA 1.375 59.025 58.000 -0.582 0.000 1.232 322 F CB -0.756 37.500 39.000 -1.240 0.000 0.987 322 F HN 0.047 nan 8.300 nan 0.000 0.475 323 K N -0.276 119.946 120.400 -0.296 0.000 2.057 323 K HA -0.178 4.140 4.320 -0.004 0.000 0.207 323 K C 2.282 178.856 176.600 -0.043 0.000 1.049 323 K CA 1.266 57.400 56.287 -0.256 0.000 0.931 323 K CB -0.251 31.998 32.500 -0.418 0.000 0.714 323 K HN 0.090 nan 8.250 nan 0.000 0.440 324 R N 1.233 121.681 120.500 -0.085 0.000 2.083 324 R HA -0.167 4.170 4.340 -0.004 0.000 0.237 324 R C 2.342 178.607 176.300 -0.059 0.000 1.137 324 R CA 1.783 57.850 56.100 -0.054 0.000 0.951 324 R CB -0.303 29.944 30.300 -0.088 0.000 0.851 324 R HN 0.206 nan 8.270 nan 0.000 0.434 325 L N -0.804 120.348 121.223 -0.118 0.000 2.240 325 L HA 0.058 4.395 4.340 -0.004 0.000 0.211 325 L C 1.544 178.396 176.870 -0.029 0.000 1.106 325 L CA 1.516 56.232 54.840 -0.207 0.000 0.793 325 L CB -0.626 41.172 42.059 -0.434 0.000 0.927 325 L HN 0.014 nan 8.230 nan 0.000 0.446 326 N N 0.691 119.439 118.700 0.081 0.000 2.250 326 N HA 0.011 4.748 4.740 -0.004 0.000 0.181 326 N C 1.951 177.549 175.510 0.147 0.000 1.017 326 N CA 1.610 54.768 53.050 0.181 0.000 0.866 326 N CB -0.046 38.653 38.487 0.353 0.000 0.985 326 N HN 0.442 nan 8.380 nan 0.000 0.429 327 I N 1.645 122.302 120.570 0.144 0.000 2.226 327 I HA -0.245 3.923 4.170 -0.004 0.000 0.245 327 I C 1.747 177.904 176.117 0.067 0.000 1.100 327 I CA 0.840 62.201 61.300 0.100 0.000 1.374 327 I CB -0.200 37.863 38.000 0.104 0.000 1.057 327 I HN 0.048 nan 8.210 nan 0.000 0.413 328 N N 1.077 119.807 118.700 0.051 0.000 2.104 328 N HA -0.168 4.569 4.740 -0.004 0.000 0.190 328 N C 1.877 177.402 175.510 0.025 0.000 1.024 328 N CA 1.677 54.757 53.050 0.050 0.000 0.853 328 N CB -0.448 38.067 38.487 0.046 0.000 1.008 328 N HN 0.384 nan 8.380 nan 0.000 0.424 329 A N 0.795 123.637 122.820 0.037 0.000 1.902 329 A HA 0.031 4.348 4.320 -0.004 0.000 0.217 329 A C 2.363 179.887 177.584 -0.099 0.000 1.181 329 A CA 1.906 53.912 52.037 -0.052 0.000 0.623 329 A CB -0.862 18.182 19.000 0.072 0.000 0.818 329 A HN 0.317 nan 8.150 nan 0.000 0.443 330 A N 0.107 122.912 122.820 -0.026 0.000 1.883 330 A HA -0.189 4.129 4.320 -0.004 0.000 0.217 330 A C 2.096 179.617 177.584 -0.105 0.000 1.186 330 A CA 1.836 53.836 52.037 -0.061 0.000 0.624 330 A CB -0.467 18.517 19.000 -0.028 0.000 0.822 330 A HN 0.552 nan 8.150 nan 0.000 0.444 331 K N 0.014 120.373 120.400 -0.069 0.000 2.211 331 K HA -0.019 4.298 4.320 -0.004 0.000 0.203 331 K C 1.702 178.228 176.600 -0.122 0.000 1.050 331 K CA 1.389 57.638 56.287 -0.063 0.000 0.945 331 K CB -0.096 32.397 32.500 -0.012 0.000 0.732 331 K HN 0.403 nan 8.250 nan 0.000 0.451 332 S N 1.063 116.634 115.700 -0.214 0.000 2.575 332 S HA 0.003 4.471 4.470 -0.004 0.000 0.215 332 S C 0.546 174.834 174.600 -0.520 0.000 0.966 332 S CA -0.225 57.760 58.200 -0.359 0.000 0.911 332 S CB 0.092 62.932 63.200 -0.599 0.000 0.780 332 S HN 0.338 nan 8.310 nan 0.000 0.514 333 S N 1.328 116.793 115.700 -0.391 0.000 2.560 333 S HA 0.132 4.599 4.470 -0.004 0.000 0.276 333 S C 0.091 174.479 174.600 -0.354 0.000 1.350 333 S CA -0.224 57.760 58.200 -0.362 0.000 1.024 333 S CB -0.117 62.970 63.200 -0.188 0.000 0.864 333 S HN 0.202 nan 8.310 nan 0.000 0.536 334 F N 0.431 120.312 119.950 -0.115 0.000 2.701 334 F HA 0.377 4.902 4.527 -0.003 0.000 0.295 334 F C 0.497 176.295 175.800 -0.003 0.000 1.165 334 F CA -1.096 56.773 58.000 -0.219 0.000 1.399 334 F CB -1.100 37.823 39.000 -0.127 0.000 0.996 334 F HN 0.342 nan 8.300 nan 0.000 0.513 335 L N 1.861 123.137 121.223 0.088 0.000 2.426 335 L HA 0.217 4.555 4.340 -0.004 0.000 0.271 335 L C -1.779 175.141 176.870 0.082 0.000 1.169 335 L CA -1.903 52.965 54.840 0.046 0.000 0.836 335 L CB 0.056 42.029 42.059 -0.144 0.000 1.112 335 L HN -0.081 nan 8.230 nan 0.000 0.465 336 P HA -0.077 nan 4.420 nan 0.000 0.267 336 P C 0.494 177.813 177.300 0.031 0.000 1.201 336 P CA -0.134 63.010 63.100 0.073 0.000 0.775 336 P CB 0.527 32.260 31.700 0.055 0.000 0.854 337 E N 1.833 122.052 120.200 0.031 0.000 2.070 337 E HA -0.289 4.059 4.350 -0.004 0.000 0.197 337 E C 1.497 178.093 176.600 -0.006 0.000 1.004 337 E CA 1.808 58.215 56.400 0.012 0.000 0.805 337 E CB -0.099 29.611 29.700 0.017 0.000 0.744 337 E HN 0.455 nan 8.360 nan 0.000 0.451 338 E N 0.889 121.088 120.200 -0.002 0.000 2.106 338 E HA -0.145 4.203 4.350 -0.004 0.000 0.192 338 E C 1.818 178.406 176.600 -0.019 0.000 0.984 338 E CA 1.510 57.906 56.400 -0.008 0.000 0.806 338 E CB -0.096 29.604 29.700 -0.001 0.000 0.750 338 E HN 0.344 nan 8.360 nan 0.000 0.458 339 E N 0.166 120.352 120.200 -0.024 0.000 2.107 339 E HA -0.146 4.201 4.350 -0.004 0.000 0.191 339 E C 1.969 178.514 176.600 -0.092 0.000 0.982 339 E CA 0.882 57.253 56.400 -0.049 0.000 0.809 339 E CB -0.108 29.565 29.700 -0.046 0.000 0.756 339 E HN 0.172 nan 8.360 nan 0.000 0.459 340 K N 1.865 122.210 120.400 -0.091 0.000 2.063 340 K HA -0.240 4.078 4.320 -0.004 0.000 0.208 340 K C 2.202 178.757 176.600 -0.075 0.000 1.048 340 K CA 1.602 57.821 56.287 -0.113 0.000 0.928 340 K CB -0.008 32.443 32.500 -0.082 0.000 0.713 340 K HN -0.102 nan 8.250 nan 0.000 0.442 341 K N 0.897 121.269 120.400 -0.046 0.000 2.063 341 K HA -0.210 4.107 4.320 -0.004 0.000 0.208 341 K C 1.670 178.252 176.600 -0.030 0.000 1.048 341 K CA 2.021 58.289 56.287 -0.032 0.000 0.928 341 K CB -0.034 32.451 32.500 -0.025 0.000 0.713 341 K HN 0.262 nan 8.250 nan 0.000 0.442 342 E N 0.613 120.791 120.200 -0.037 0.000 2.085 342 E HA -0.222 4.125 4.350 -0.004 0.000 0.194 342 E C 2.065 178.642 176.600 -0.039 0.000 0.994 342 E CA 1.297 57.679 56.400 -0.031 0.000 0.801 342 E CB -0.201 29.482 29.700 -0.028 0.000 0.743 342 E HN 0.266 nan 8.360 nan 0.000 0.453 343 L N 0.932 122.113 121.223 -0.069 0.000 2.046 343 L HA -0.156 4.182 4.340 -0.004 0.000 0.208 343 L C 2.045 178.886 176.870 -0.048 0.000 1.077 343 L CA 1.531 56.322 54.840 -0.081 0.000 0.747 343 L CB -0.281 41.678 42.059 -0.167 0.000 0.896 343 L HN 0.083 nan 8.230 nan 0.000 0.432 344 L N -0.445 120.768 121.223 -0.016 0.000 2.046 344 L HA -0.208 4.129 4.340 -0.004 0.000 0.208 344 L C 2.623 179.574 176.870 0.135 0.000 1.077 344 L CA 1.694 56.578 54.840 0.074 0.000 0.747 344 L CB -0.586 41.531 42.059 0.096 0.000 0.896 344 L HN 0.426 nan 8.230 nan 0.000 0.432 345 E N 0.149 120.385 120.200 0.059 0.000 2.070 345 E HA -0.305 4.042 4.350 -0.004 0.000 0.197 345 E C 2.396 179.018 176.600 0.037 0.000 1.004 345 E CA 1.374 57.804 56.400 0.051 0.000 0.805 345 E CB -0.014 29.691 29.700 0.007 0.000 0.744 345 E HN 0.251 nan 8.360 nan 0.000 0.451 346 R N 0.289 120.781 120.500 -0.013 0.000 2.073 346 R HA -0.162 4.176 4.340 -0.004 0.000 0.234 346 R C 2.540 178.752 176.300 -0.147 0.000 1.134 346 R CA 1.469 57.536 56.100 -0.056 0.000 0.952 346 R CB -0.336 29.930 30.300 -0.056 0.000 0.850 346 R HN 0.251 nan 8.270 nan 0.000 0.433 347 L N -0.454 120.626 121.223 -0.237 0.000 1.989 347 L HA -0.237 4.100 4.340 -0.004 0.000 0.211 347 L C 2.448 178.929 176.870 -0.648 0.000 1.071 347 L CA 1.637 56.092 54.840 -0.642 0.000 0.749 347 L CB -0.884 40.781 42.059 -0.657 0.000 0.890 347 L HN 0.209 nan 8.230 nan 0.000 0.431 348 Y N 0.076 120.235 120.300 -0.234 0.000 2.069 348 Y HA -0.354 4.193 4.550 -0.004 0.000 0.278 348 Y C 2.958 178.847 175.900 -0.018 0.000 1.175 348 Y CA 2.068 60.135 58.100 -0.055 0.000 1.134 348 Y CB -0.445 38.010 38.460 -0.008 0.000 0.965 348 Y HN 0.084 nan 8.280 nan 0.000 0.498 349 R N 0.638 121.188 120.500 0.083 0.000 2.083 349 R HA -0.182 4.155 4.340 -0.004 0.000 0.237 349 R C 1.723 178.044 176.300 0.035 0.000 1.137 349 R CA 2.061 58.194 56.100 0.056 0.000 0.951 349 R CB -0.208 30.107 30.300 0.024 0.000 0.851 349 R HN 0.433 nan 8.270 nan 0.000 0.434 350 E N -0.896 119.286 120.200 -0.030 0.000 2.481 350 E HA -0.116 4.232 4.350 -0.004 0.000 0.195 350 E C 0.975 177.669 176.600 0.157 0.000 1.047 350 E CA 0.273 56.674 56.400 0.003 0.000 0.867 350 E CB 0.239 29.898 29.700 -0.068 0.000 0.858 350 E HN 0.450 nan 8.360 nan 0.000 0.513 351 Y N 1.247 121.534 120.300 -0.021 0.000 2.517 351 Y HA 0.067 4.614 4.550 -0.004 0.000 0.281 351 Y C 1.475 177.381 175.900 0.009 0.000 1.125 351 Y CA 0.065 58.153 58.100 -0.021 0.000 1.283 351 Y CB -0.111 38.301 38.460 -0.080 0.000 1.042 351 Y HN -0.052 nan 8.280 nan 0.000 0.547 352 Q N 0.000 119.907 119.800 0.178 0.000 2.315 352 Q HA 0.000 4.337 4.340 -0.004 0.000 0.214 352 Q CA 0.000 55.875 55.803 0.120 0.000 1.022 352 Q CB 0.000 28.797 28.738 0.099 0.000 1.108 352 Q HN 0.000 nan 8.270 nan 0.000 0.481