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 1eix_1_B DATA FIRST_RESID 12 DATA SEQUENCE VTNSPVVVAL DYHNRDDALA FVDKIDPRDC RLKVGKEMFT LFGPQFVREL DATA SEQUENCE QQRGFDIFLD LKFHDIPNTA AHAVAAAADL GVWMVNVHAS GGARMMTAAR DATA SEQUENCE EALVPFGKDA PLLIAVTVLT SMEASDLVDL GMTLSPADYA ERLAALTQKC DATA SEQUENCE GLDGVVCSAQ EAVRFKQVFG QEFKLVTPGI RPQGSEAGDQ RRIMTPEQAL DATA SEQUENCE SAGVDYMVIG RPVTQSVDPA QTLKAINASL Q VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 V HA 0.000 nan 4.120 nan 0.000 0.244 12 V C 0.000 176.029 176.094 -0.108 0.000 1.182 12 V CA 0.000 62.233 62.300 -0.112 0.000 1.235 12 V CB 0.000 31.786 31.823 -0.061 0.000 1.184 13 T N 1.906 116.399 114.554 -0.103 0.000 2.906 13 T HA 0.524 4.874 4.350 0.000 0.000 0.295 13 T C -0.167 174.509 174.700 -0.040 0.000 1.061 13 T CA -0.436 61.619 62.100 -0.075 0.000 1.000 13 T CB 1.715 70.535 68.868 -0.079 0.000 1.103 13 T HN 0.732 nan 8.240 nan 0.000 0.486 14 N N 1.746 120.430 118.700 -0.027 0.000 2.214 14 N HA 0.142 4.882 4.740 0.000 0.000 0.214 14 N C -0.036 175.464 175.510 -0.016 0.000 1.132 14 N CA -0.071 52.968 53.050 -0.017 0.000 0.856 14 N CB 0.939 39.415 38.487 -0.018 0.000 1.020 14 N HN 0.503 nan 8.380 nan 0.000 0.509 15 S N 1.835 117.532 115.700 -0.006 0.000 2.562 15 S HA 0.306 4.776 4.470 0.000 0.000 0.275 15 S C -1.582 173.035 174.600 0.028 0.000 1.281 15 S CA -1.230 56.975 58.200 0.008 0.000 1.045 15 S CB 1.307 64.520 63.200 0.022 0.000 0.962 15 S HN 0.075 nan 8.310 nan 0.000 0.503 16 P HA 0.140 nan 4.420 nan 0.000 0.255 16 P C -0.276 177.116 177.300 0.153 0.000 1.248 16 P CA 0.023 63.139 63.100 0.026 0.000 0.807 16 P CB 0.050 31.709 31.700 -0.068 0.000 1.150 17 V N 1.546 121.531 119.914 0.118 0.000 2.470 17 V HA 0.088 4.208 4.120 0.000 0.000 0.276 17 V C 0.490 176.674 176.094 0.151 0.000 1.040 17 V CA -0.055 62.323 62.300 0.130 0.000 1.008 17 V CB 1.536 33.421 31.823 0.102 0.000 0.990 17 V HN -0.163 nan 8.190 nan 0.000 0.477 18 V N 6.363 126.383 119.914 0.178 0.000 2.350 18 V HA 0.315 4.435 4.120 0.000 0.000 0.285 18 V C -0.029 176.173 176.094 0.179 0.000 1.014 18 V CA -0.589 61.824 62.300 0.187 0.000 0.831 18 V CB 1.804 33.782 31.823 0.260 0.000 1.000 18 V HN 0.610 nan 8.190 nan 0.000 0.433 19 V N 4.470 124.490 119.914 0.177 0.000 2.488 19 V HA 0.481 4.601 4.120 0.000 0.000 0.277 19 V C 0.867 177.055 176.094 0.158 0.000 1.046 19 V CA -0.317 62.088 62.300 0.174 0.000 0.986 19 V CB 1.490 33.473 31.823 0.266 0.000 0.989 19 V HN 0.955 nan 8.190 nan 0.000 0.475 20 A N 6.776 129.658 122.820 0.105 0.000 2.395 20 A HA 0.515 4.835 4.320 0.000 0.000 0.286 20 A C -0.027 177.616 177.584 0.099 0.000 1.193 20 A CA -0.300 51.784 52.037 0.078 0.000 0.852 20 A CB -0.321 18.696 19.000 0.028 0.000 1.118 20 A HN 0.850 nan 8.150 nan 0.000 0.524 21 L N 3.563 124.895 121.223 0.182 0.000 2.375 21 L HA 0.205 4.545 4.340 0.000 0.000 0.276 21 L C -0.642 176.394 176.870 0.277 0.000 1.162 21 L CA -0.233 54.808 54.840 0.334 0.000 0.991 21 L CB 0.055 42.347 42.059 0.389 0.000 1.315 21 L HN 0.533 nan 8.230 nan 0.000 0.431 22 D N 2.736 123.198 120.400 0.103 0.000 2.514 22 D HA 0.289 4.929 4.640 0.000 0.000 0.267 22 D C -0.724 175.534 176.300 -0.069 0.000 1.165 22 D CA -0.017 53.995 54.000 0.021 0.000 0.958 22 D CB 0.386 41.151 40.800 -0.058 0.000 0.992 22 D HN 0.131 nan 8.370 nan 0.000 0.506 23 Y N -0.713 119.614 120.300 0.044 0.000 2.468 23 Y HA 0.246 4.796 4.550 0.000 0.000 0.342 23 Y C 1.174 177.136 175.900 0.103 0.000 1.021 23 Y CA -0.927 57.208 58.100 0.058 0.000 1.079 23 Y CB 1.482 39.957 38.460 0.025 0.000 1.226 23 Y HN 0.174 nan 8.280 nan 0.000 0.460 24 H N 0.378 119.563 119.070 0.192 0.000 2.529 24 H HA 0.213 4.769 4.556 0.000 0.000 0.277 24 H C -0.588 174.865 175.328 0.208 0.000 1.004 24 H CA 0.056 56.188 56.048 0.139 0.000 1.167 24 H CB 0.180 29.979 29.762 0.061 0.000 1.445 24 H HN 0.579 nan 8.280 nan 0.000 0.554 25 N N -0.077 118.781 118.700 0.265 0.000 2.519 25 N HA 0.138 4.878 4.740 0.000 0.000 0.286 25 N C 0.772 176.216 175.510 -0.110 0.000 1.079 25 N CA -0.536 52.605 53.050 0.152 0.000 0.878 25 N CB 0.933 39.493 38.487 0.123 0.000 1.375 25 N HN 0.005 nan 8.380 nan 0.000 0.514 26 R N 2.291 122.521 120.500 -0.450 0.000 2.094 26 R HA -0.170 4.170 4.340 0.000 0.000 0.239 26 R C 0.245 176.303 176.300 -0.405 0.000 1.137 26 R CA 2.048 57.605 56.100 -0.905 0.000 0.943 26 R CB -0.055 29.471 30.300 -1.290 0.000 0.850 26 R HN 0.682 nan 8.270 nan 0.000 0.433 27 D N 0.273 120.528 120.400 -0.242 0.000 2.144 27 D HA -0.141 4.499 4.640 0.000 0.000 0.199 27 D C 1.451 177.666 176.300 -0.143 0.000 0.984 27 D CA 1.098 55.011 54.000 -0.145 0.000 0.834 27 D CB -0.301 40.449 40.800 -0.084 0.000 0.955 27 D HN 0.292 nan 8.370 nan 0.000 0.465 28 D N 0.831 121.147 120.400 -0.140 0.000 2.123 28 D HA -0.112 4.528 4.640 0.000 0.000 0.196 28 D C 2.065 178.107 176.300 -0.430 0.000 0.992 28 D CA 1.156 55.077 54.000 -0.131 0.000 0.833 28 D CB -0.245 40.584 40.800 0.049 0.000 0.954 28 D HN 0.131 nan 8.370 nan 0.000 0.455 29 A N 0.601 122.986 122.820 -0.724 0.000 1.898 29 A HA -0.099 4.222 4.320 0.000 0.000 0.216 29 A C 2.382 179.785 177.584 -0.301 0.000 1.181 29 A CA 0.845 52.314 52.037 -0.946 0.000 0.620 29 A CB -0.722 17.933 19.000 -0.574 0.000 0.819 29 A HN 0.212 nan 8.150 nan 0.000 0.442 30 L N -0.874 120.246 121.223 -0.170 0.000 2.141 30 L HA -0.148 4.192 4.340 0.000 0.000 0.209 30 L C 3.019 179.828 176.870 -0.102 0.000 1.094 30 L CA 0.842 55.617 54.840 -0.109 0.000 0.763 30 L CB -0.557 41.458 42.059 -0.075 0.000 0.908 30 L HN 0.456 nan 8.230 nan 0.000 0.437 31 A N 0.016 122.788 122.820 -0.081 0.000 1.972 31 A HA -0.250 4.070 4.320 0.000 0.000 0.219 31 A C 2.105 179.697 177.584 0.014 0.000 1.169 31 A CA 1.414 53.434 52.037 -0.028 0.000 0.635 31 A CB -0.584 18.414 19.000 -0.003 0.000 0.810 31 A HN 0.422 nan 8.150 nan 0.000 0.446 32 F N 0.548 120.430 119.950 -0.113 0.000 2.094 32 F HA -0.064 4.463 4.527 0.000 0.000 0.291 32 F C 2.175 177.943 175.800 -0.054 0.000 1.109 32 F CA 1.688 59.657 58.000 -0.051 0.000 1.221 32 F CB -0.727 38.262 39.000 -0.018 0.000 1.014 32 F HN -0.013 nan 8.300 nan 0.000 0.473 33 V N 1.155 120.770 119.914 -0.498 0.000 2.317 33 V HA -0.346 3.774 4.120 0.000 0.000 0.251 33 V C 2.039 177.931 176.094 -0.337 0.000 1.065 33 V CA 2.417 64.358 62.300 -0.599 0.000 1.049 33 V CB -0.780 30.764 31.823 -0.466 0.000 0.651 33 V HN 0.366 nan 8.190 nan 0.000 0.450 34 D N -0.424 119.856 120.400 -0.200 0.000 2.264 34 D HA -0.102 4.538 4.640 0.000 0.000 0.208 34 D C 2.067 178.313 176.300 -0.091 0.000 0.966 34 D CA 0.848 54.792 54.000 -0.093 0.000 0.864 34 D CB -0.116 40.646 40.800 -0.063 0.000 0.933 34 D HN 0.449 nan 8.370 nan 0.000 0.499 35 K N 0.168 120.479 120.400 -0.147 0.000 2.487 35 K HA 0.120 4.440 4.320 0.000 0.000 0.192 35 K C 1.152 177.680 176.600 -0.120 0.000 1.027 35 K CA 0.157 56.385 56.287 -0.098 0.000 1.054 35 K CB 0.447 32.921 32.500 -0.043 0.000 0.824 35 K HN 0.317 nan 8.250 nan 0.000 0.510 36 I N -4.125 116.341 120.570 -0.174 0.000 3.522 36 I HA 0.462 4.632 4.170 0.000 0.000 0.292 36 I C -0.984 175.154 176.117 0.035 0.000 1.147 36 I CA -1.098 60.146 61.300 -0.094 0.000 1.032 36 I CB 1.799 39.684 38.000 -0.192 0.000 1.337 36 I HN -0.267 nan 8.210 nan 0.000 0.496 37 D N 0.298 120.720 120.400 0.037 0.000 2.857 37 D HA 0.364 5.004 4.640 0.000 0.000 0.227 37 D C -2.378 173.750 176.300 -0.287 0.000 1.192 37 D CA -1.697 52.232 54.000 -0.117 0.000 0.857 37 D CB 3.148 43.877 40.800 -0.118 0.000 1.645 37 D HN 0.194 nan 8.370 nan 0.000 0.482 38 P HA -0.084 nan 4.420 nan 0.000 0.218 38 P C 0.941 178.039 177.300 -0.337 0.000 1.146 38 P CA 1.100 63.671 63.100 -0.883 0.000 0.813 38 P CB 0.251 31.373 31.700 -0.963 0.000 0.778 39 R N -1.110 119.243 120.500 -0.244 0.000 2.276 39 R HA -0.026 4.314 4.340 0.000 0.000 0.203 39 R C 1.352 177.604 176.300 -0.080 0.000 1.017 39 R CA 0.792 56.808 56.100 -0.141 0.000 1.010 39 R CB -0.299 29.931 30.300 -0.117 0.000 0.900 39 R HN 0.240 nan 8.270 nan 0.000 0.469 40 D N -0.557 119.809 120.400 -0.056 0.000 2.240 40 D HA 0.001 4.641 4.640 0.000 0.000 0.206 40 D C 0.995 177.316 176.300 0.035 0.000 0.963 40 D CA 0.926 54.927 54.000 0.001 0.000 0.863 40 D CB 0.323 41.138 40.800 0.025 0.000 0.973 40 D HN 0.303 nan 8.370 nan 0.000 0.501 41 C N -1.514 117.820 119.300 0.057 0.000 3.211 41 C HA 0.607 5.067 4.460 0.000 0.000 0.350 41 C C -1.028 174.022 174.990 0.099 0.000 1.413 41 C CA -1.330 57.736 59.018 0.081 0.000 1.203 41 C CB 1.645 29.463 27.740 0.129 0.000 1.506 41 C HN -0.031 nan 8.230 nan 0.000 0.448 42 R N 0.334 120.866 120.500 0.053 0.000 2.758 42 R HA 0.886 5.226 4.340 0.000 0.000 0.265 42 R C -1.189 175.171 176.300 0.099 0.000 1.016 42 R CA -0.661 55.441 56.100 0.003 0.000 1.040 42 R CB 1.327 31.464 30.300 -0.272 0.000 1.152 42 R HN 0.690 nan 8.270 nan 0.000 0.503 43 L N 1.017 122.297 121.223 0.096 0.000 2.362 43 L HA 0.523 4.863 4.340 0.000 0.000 0.271 43 L C -0.343 176.623 176.870 0.159 0.000 1.002 43 L CA -0.810 54.086 54.840 0.093 0.000 0.818 43 L CB 1.925 43.949 42.059 -0.058 0.000 1.298 43 L HN 0.385 nan 8.230 nan 0.000 0.420 44 K N 1.937 122.427 120.400 0.150 0.000 2.274 44 K HA 0.595 4.915 4.320 0.000 0.000 0.262 44 K C -1.423 175.205 176.600 0.048 0.000 0.961 44 K CA -0.551 55.781 56.287 0.075 0.000 0.833 44 K CB 1.846 34.359 32.500 0.021 0.000 1.102 44 K HN 0.370 nan 8.250 nan 0.000 0.436 45 V N 4.037 123.967 119.914 0.026 0.000 2.328 45 V HA 0.392 4.512 4.120 0.000 0.000 0.278 45 V C 0.723 176.836 176.094 0.030 0.000 1.021 45 V CA -0.586 61.801 62.300 0.146 0.000 0.838 45 V CB 1.048 33.048 31.823 0.295 0.000 0.999 45 V HN 0.986 nan 8.190 nan 0.000 0.447 46 G N 3.512 112.337 108.800 0.042 0.000 2.606 46 G HA2 0.364 4.324 3.960 0.000 0.000 0.262 46 G HA3 0.364 4.324 3.960 0.000 0.000 0.262 46 G C 0.573 175.506 174.900 0.054 0.000 1.394 46 G CA -0.512 44.568 45.100 -0.033 0.000 1.044 46 G HN 0.632 nan 8.290 nan 0.000 0.553 47 K N -0.606 119.803 120.400 0.015 0.000 2.148 47 K HA -0.036 4.284 4.320 0.000 0.000 0.204 47 K C 2.186 178.836 176.600 0.084 0.000 1.050 47 K CA 1.402 57.725 56.287 0.061 0.000 0.942 47 K CB 0.044 32.562 32.500 0.030 0.000 0.724 47 K HN 0.638 nan 8.250 nan 0.000 0.446 48 E N 1.162 121.397 120.200 0.059 0.000 2.007 48 E HA -0.195 4.155 4.350 0.000 0.000 0.194 48 E C 2.020 178.612 176.600 -0.013 0.000 0.999 48 E CA 1.332 57.751 56.400 0.033 0.000 0.811 48 E CB 0.021 29.759 29.700 0.062 0.000 0.762 48 E HN 0.180 nan 8.360 nan 0.000 0.450 49 M N -0.316 119.318 119.600 0.057 0.000 2.159 49 M HA -0.111 4.369 4.480 0.000 0.000 0.263 49 M C 2.246 178.582 176.300 0.061 0.000 1.063 49 M CA 1.121 56.458 55.300 0.061 0.000 1.110 49 M CB -0.309 32.350 32.600 0.098 0.000 1.374 49 M HN 0.192 nan 8.290 nan 0.000 0.411 50 F N 1.158 121.130 119.950 0.036 0.000 2.186 50 F HA -0.158 4.370 4.527 0.000 0.000 0.299 50 F C 2.365 178.152 175.800 -0.023 0.000 1.090 50 F CA 1.536 59.569 58.000 0.056 0.000 1.307 50 F CB -0.268 38.770 39.000 0.062 0.000 1.019 50 F HN 0.037 nan 8.300 nan 0.000 0.489 51 T N 0.781 115.396 114.554 0.101 0.000 2.867 51 T HA -0.116 4.234 4.350 0.000 0.000 0.268 51 T C 2.106 176.668 174.700 -0.230 0.000 1.057 51 T CA 1.393 63.489 62.100 -0.007 0.000 1.136 51 T CB -0.286 68.578 68.868 -0.006 0.000 0.874 51 T HN 0.194 nan 8.240 nan 0.000 0.466 52 L N -0.765 120.190 121.223 -0.447 0.000 2.068 52 L HA 0.131 4.471 4.340 0.000 0.000 0.204 52 L C 1.506 177.727 176.870 -1.082 0.000 1.076 52 L CA 1.334 55.620 54.840 -0.924 0.000 0.753 52 L CB -0.184 40.968 42.059 -1.511 0.000 0.910 52 L HN 0.276 nan 8.230 nan 0.000 0.439 53 F N -1.075 118.713 119.950 -0.269 0.000 2.706 53 F HA 0.439 4.966 4.527 -0.000 0.000 0.313 53 F C 1.460 177.080 175.800 -0.301 0.000 1.096 53 F CA 0.031 57.879 58.000 -0.253 0.000 1.219 53 F CB -0.233 38.592 39.000 -0.291 0.000 1.051 53 F HN 0.067 nan 8.300 nan 0.000 0.568 54 G N 2.598 111.130 108.800 -0.446 0.000 2.682 54 G HA2 -0.281 3.679 3.960 0.000 0.000 0.256 54 G HA3 -0.281 3.679 3.960 0.000 0.000 0.256 54 G C -1.381 173.013 174.900 -0.842 0.000 1.333 54 G CA -0.170 44.403 45.100 -0.878 0.000 0.904 54 G HN 0.149 nan 8.290 nan 0.000 0.569 55 P HA -0.187 nan 4.420 nan 0.000 0.217 55 P C 1.523 178.837 177.300 0.022 0.000 1.148 55 P CA 2.210 65.292 63.100 -0.030 0.000 0.828 55 P CB 0.012 31.800 31.700 0.146 0.000 0.783 56 Q N -0.501 119.301 119.800 0.003 0.000 2.124 56 Q HA -0.157 4.183 4.340 0.000 0.000 0.202 56 Q C 1.956 177.998 176.000 0.070 0.000 0.977 56 Q CA 1.319 57.146 55.803 0.041 0.000 0.850 56 Q CB -1.358 27.406 28.738 0.044 0.000 0.901 56 Q HN 0.145 nan 8.270 nan 0.000 0.429 57 F N -0.559 119.353 119.950 -0.062 0.000 2.102 57 F HA -0.150 4.377 4.527 0.000 0.000 0.298 57 F C 1.869 177.655 175.800 -0.023 0.000 1.105 57 F CA 1.245 59.207 58.000 -0.063 0.000 1.239 57 F CB -0.533 38.438 39.000 -0.049 0.000 0.991 57 F HN -0.042 nan 8.300 nan 0.000 0.474 58 V N 1.059 120.967 119.914 -0.010 0.000 2.332 58 V HA -0.320 3.800 4.120 0.000 0.000 0.248 58 V C 2.543 178.592 176.094 -0.076 0.000 1.055 58 V CA 2.259 64.534 62.300 -0.041 0.000 1.038 58 V CB -0.685 31.237 31.823 0.166 0.000 0.651 58 V HN 0.291 nan 8.190 nan 0.000 0.450 59 R N -0.181 120.302 120.500 -0.028 0.000 2.081 59 R HA -0.148 4.192 4.340 0.000 0.000 0.235 59 R C 2.284 178.545 176.300 -0.065 0.000 1.131 59 R CA 1.568 57.656 56.100 -0.019 0.000 0.960 59 R CB -0.322 29.984 30.300 0.010 0.000 0.856 59 R HN 0.637 nan 8.270 nan 0.000 0.436 60 E N 0.778 120.905 120.200 -0.123 0.000 2.110 60 E HA -0.168 4.182 4.350 0.000 0.000 0.193 60 E C 2.115 178.602 176.600 -0.188 0.000 0.988 60 E CA 0.930 57.244 56.400 -0.144 0.000 0.804 60 E CB -0.089 29.513 29.700 -0.163 0.000 0.745 60 E HN 0.345 nan 8.360 nan 0.000 0.458 61 L N 0.736 121.768 121.223 -0.317 0.000 2.093 61 L HA -0.190 4.150 4.340 0.000 0.000 0.208 61 L C 2.573 179.433 176.870 -0.016 0.000 1.085 61 L CA 1.115 55.791 54.840 -0.274 0.000 0.755 61 L CB -0.334 41.465 42.059 -0.434 0.000 0.904 61 L HN 0.130 nan 8.230 nan 0.000 0.435 62 Q N -0.467 119.319 119.800 -0.023 0.000 2.119 62 Q HA -0.245 4.095 4.340 0.000 0.000 0.201 62 Q C 2.191 178.210 176.000 0.031 0.000 0.972 62 Q CA 1.203 57.029 55.803 0.037 0.000 0.847 62 Q CB -0.019 28.738 28.738 0.031 0.000 0.903 62 Q HN 0.373 nan 8.270 nan 0.000 0.433 63 Q N 0.318 120.120 119.800 0.005 0.000 2.364 63 Q HA -0.095 4.245 4.340 0.000 0.000 0.209 63 Q C 1.278 177.283 176.000 0.008 0.000 0.977 63 Q CA 1.088 56.892 55.803 0.000 0.000 0.885 63 Q CB 0.170 28.901 28.738 -0.012 0.000 0.941 63 Q HN 0.184 nan 8.270 nan 0.000 0.464 64 R N -1.854 118.678 120.500 0.052 0.000 2.297 64 R HA 0.151 4.491 4.340 0.000 0.000 0.197 64 R C 0.830 177.104 176.300 -0.043 0.000 0.943 64 R CA 0.649 56.795 56.100 0.077 0.000 1.038 64 R CB 0.491 30.951 30.300 0.267 0.000 0.957 64 R HN 0.325 nan 8.270 nan 0.000 0.484 65 G N 0.430 109.206 108.800 -0.039 0.000 2.176 65 G HA2 -0.250 3.710 3.960 0.000 0.000 0.232 65 G HA3 -0.250 3.710 3.960 0.000 0.000 0.232 65 G C -0.019 174.743 174.900 -0.230 0.000 0.986 65 G CA -0.528 44.475 45.100 -0.162 0.000 0.643 65 G HN 0.161 nan 8.290 nan 0.000 0.522 66 F N 1.738 121.630 119.950 -0.097 0.000 2.399 66 F HA 0.474 5.001 4.527 -0.000 0.000 0.342 66 F C 0.672 176.404 175.800 -0.112 0.000 1.106 66 F CA -0.663 57.268 58.000 -0.115 0.000 1.196 66 F CB 0.700 39.634 39.000 -0.110 0.000 1.163 66 F HN -0.115 nan 8.300 nan 0.000 0.547 67 D N 3.188 123.581 120.400 -0.012 0.000 2.312 67 D HA 0.222 4.862 4.640 0.000 0.000 0.252 67 D C -0.139 176.188 176.300 0.044 0.000 1.150 67 D CA 0.092 54.024 54.000 -0.113 0.000 0.870 67 D CB 0.910 41.303 40.800 -0.678 0.000 1.153 67 D HN 0.076 nan 8.370 nan 0.000 0.457 68 I N 3.173 123.863 120.570 0.200 0.000 2.354 68 I HA 0.176 4.347 4.170 0.000 0.000 0.292 68 I C -0.095 176.277 176.117 0.424 0.000 0.989 68 I CA -0.824 60.622 61.300 0.243 0.000 1.188 68 I CB 0.726 38.820 38.000 0.157 0.000 1.342 68 I HN 0.178 nan 8.210 nan 0.000 0.457 69 F N 8.429 128.518 119.950 0.231 0.000 2.350 69 F HA 0.376 4.903 4.527 0.000 0.000 0.365 69 F C -0.622 175.214 175.800 0.058 0.000 1.122 69 F CA -1.646 56.467 58.000 0.187 0.000 1.139 69 F CB 0.827 39.956 39.000 0.216 0.000 1.220 69 F HN 0.268 nan 8.300 nan 0.000 0.499 70 L N 6.660 127.978 121.223 0.157 0.000 2.342 70 L HA 0.247 4.587 4.340 0.000 0.000 0.285 70 L C -0.646 175.950 176.870 -0.456 0.000 1.095 70 L CA 0.242 54.996 54.840 -0.144 0.000 0.843 70 L CB -0.000 42.006 42.059 -0.088 0.000 1.201 70 L HN 0.612 nan 8.230 nan 0.000 0.445 71 D N 4.916 124.918 120.400 -0.663 0.000 2.479 71 D HA 0.235 4.875 4.640 0.000 0.000 0.247 71 D C 0.183 176.198 176.300 -0.475 0.000 1.119 71 D CA -0.060 53.503 54.000 -0.729 0.000 0.922 71 D CB 0.258 40.499 40.800 -0.931 0.000 1.014 71 D HN 0.617 nan 8.370 nan 0.000 0.510 72 L N 2.308 123.193 121.223 -0.563 0.000 2.906 72 L HA 0.248 4.588 4.340 0.000 0.000 0.255 72 L C 0.598 177.241 176.870 -0.379 0.000 1.166 72 L CA -0.448 54.112 54.840 -0.467 0.000 0.977 72 L CB -0.043 41.675 42.059 -0.568 0.000 1.313 72 L HN 0.273 nan 8.230 nan 0.000 0.549 73 K N 1.375 121.531 120.400 -0.407 0.000 3.602 73 K HA -0.202 4.118 4.320 0.000 0.000 0.274 73 K C -0.374 176.265 176.600 0.065 0.000 0.864 73 K CA 0.434 56.589 56.287 -0.220 0.000 0.682 73 K CB -1.725 30.674 32.500 -0.169 0.000 1.576 73 K HN 0.196 nan 8.250 nan 0.000 0.447 74 F N 1.153 121.132 119.950 0.048 0.000 2.580 74 F HA -0.100 4.427 4.527 0.000 0.000 0.398 74 F C 1.418 177.331 175.800 0.190 0.000 1.023 74 F CA 0.184 58.234 58.000 0.083 0.000 1.188 74 F CB 0.133 39.149 39.000 0.026 0.000 1.005 74 F HN 0.327 nan 8.300 nan 0.000 0.546 75 H N 3.450 122.678 119.070 0.264 0.000 2.808 75 H HA 0.216 4.772 4.556 0.000 0.000 0.268 75 H C -1.241 174.134 175.328 0.078 0.000 1.306 75 H CA -0.730 55.412 56.048 0.158 0.000 1.565 75 H CB 0.312 30.128 29.762 0.091 0.000 1.632 75 H HN 0.703 nan 8.280 nan 0.000 0.525 76 D N 2.520 123.041 120.400 0.203 0.000 2.895 76 D HA 0.162 4.802 4.640 0.000 0.000 0.320 76 D C 0.095 176.421 176.300 0.043 0.000 1.249 76 D CA -0.540 53.489 54.000 0.048 0.000 0.997 76 D CB 2.051 42.853 40.800 0.004 0.000 1.430 76 D HN 0.540 nan 8.370 nan 0.000 0.558 77 I N -1.147 119.417 120.570 -0.011 0.000 2.754 77 I HA 0.238 4.408 4.170 0.000 0.000 0.285 77 I C -1.753 174.344 176.117 -0.034 0.000 1.166 77 I CA -1.236 60.054 61.300 -0.018 0.000 1.417 77 I CB 0.510 38.487 38.000 -0.039 0.000 1.382 77 I HN 0.116 nan 8.210 nan 0.000 0.588 78 P HA -0.255 nan 4.420 nan 0.000 0.219 78 P C 1.272 178.512 177.300 -0.100 0.000 1.158 78 P CA 1.933 65.011 63.100 -0.036 0.000 0.895 78 P CB -0.125 31.562 31.700 -0.021 0.000 0.792 79 N N -1.654 116.958 118.700 -0.147 0.000 2.120 79 N HA -0.128 4.612 4.740 0.000 0.000 0.188 79 N C 1.378 176.599 175.510 -0.481 0.000 1.024 79 N CA 1.662 54.527 53.050 -0.309 0.000 0.852 79 N CB -0.150 38.185 38.487 -0.253 0.000 1.003 79 N HN 0.102 nan 8.380 nan 0.000 0.424 80 T N 0.446 114.832 114.554 -0.280 0.000 2.857 80 T HA 0.051 4.401 4.350 0.000 0.000 0.266 80 T C 1.944 176.507 174.700 -0.227 0.000 1.048 80 T CA 0.971 62.925 62.100 -0.244 0.000 1.139 80 T CB -0.250 68.529 68.868 -0.147 0.000 0.874 80 T HN 0.385 nan 8.240 nan 0.000 0.455 81 A N 1.569 124.299 122.820 -0.150 0.000 1.902 81 A HA 0.116 4.436 4.320 0.000 0.000 0.217 81 A C 2.618 180.151 177.584 -0.086 0.000 1.181 81 A CA 1.880 53.859 52.037 -0.096 0.000 0.623 81 A CB -1.102 17.908 19.000 0.017 0.000 0.818 81 A HN 0.497 nan 8.150 nan 0.000 0.443 82 A N -0.821 121.959 122.820 -0.068 0.000 1.877 82 A HA -0.171 4.149 4.320 0.000 0.000 0.216 82 A C 2.029 179.696 177.584 0.138 0.000 1.186 82 A CA 1.850 53.909 52.037 0.037 0.000 0.620 82 A CB -0.920 18.111 19.000 0.052 0.000 0.822 82 A HN 0.609 nan 8.150 nan 0.000 0.443 83 H N -0.130 118.905 119.070 -0.058 0.000 2.423 83 H HA 0.097 4.653 4.556 0.000 0.000 0.297 83 H C 2.405 177.656 175.328 -0.127 0.000 1.075 83 H CA 0.963 56.977 56.048 -0.057 0.000 1.342 83 H CB -0.738 28.991 29.762 -0.056 0.000 1.395 83 H HN 0.511 nan 8.280 nan 0.000 0.530 84 A N 0.415 123.128 122.820 -0.179 0.000 1.873 84 A HA -0.085 4.235 4.320 0.000 0.000 0.215 84 A C 2.734 180.153 177.584 -0.276 0.000 1.186 84 A CA 1.479 53.199 52.037 -0.528 0.000 0.616 84 A CB -0.831 17.311 19.000 -1.430 0.000 0.823 84 A HN 0.230 nan 8.150 nan 0.000 0.442 85 V N 0.046 119.900 119.914 -0.100 0.000 2.332 85 V HA -0.274 3.846 4.120 0.000 0.000 0.248 85 V C 3.055 179.161 176.094 0.019 0.000 1.055 85 V CA 1.986 64.364 62.300 0.130 0.000 1.038 85 V CB -1.179 30.721 31.823 0.128 0.000 0.651 85 V HN 0.617 nan 8.190 nan 0.000 0.450 86 A N -0.106 122.742 122.820 0.047 0.000 1.902 86 A HA -0.123 4.197 4.320 0.000 0.000 0.217 86 A C 2.428 180.016 177.584 0.008 0.000 1.181 86 A CA 2.045 54.132 52.037 0.084 0.000 0.623 86 A CB -0.756 18.402 19.000 0.264 0.000 0.818 86 A HN 0.582 nan 8.150 nan 0.000 0.443 87 A N -0.172 122.670 122.820 0.036 0.000 1.933 87 A HA 0.153 4.473 4.320 0.000 0.000 0.218 87 A C 2.474 180.079 177.584 0.035 0.000 1.175 87 A CA 2.048 54.115 52.037 0.050 0.000 0.628 87 A CB -0.922 18.105 19.000 0.045 0.000 0.814 87 A HN 1.043 nan 8.150 nan 0.000 0.444 88 A N -0.197 122.644 122.820 0.034 0.000 1.930 88 A HA 0.197 4.517 4.320 0.000 0.000 0.217 88 A C 2.478 180.006 177.584 -0.093 0.000 1.175 88 A CA 1.923 53.980 52.037 0.032 0.000 0.627 88 A CB -0.923 18.135 19.000 0.096 0.000 0.815 88 A HN 1.028 nan 8.150 nan 0.000 0.443 89 A N -0.120 122.518 122.820 -0.303 0.000 1.930 89 A HA -0.163 4.157 4.320 0.000 0.000 0.217 89 A C 1.757 179.128 177.584 -0.355 0.000 1.175 89 A CA 1.746 53.429 52.037 -0.589 0.000 0.627 89 A CB -0.526 17.511 19.000 -1.606 0.000 0.815 89 A HN 0.446 nan 8.150 nan 0.000 0.443 90 D N -0.181 120.119 120.400 -0.166 0.000 2.182 90 D HA -0.122 4.518 4.640 0.000 0.000 0.201 90 D C 1.766 178.107 176.300 0.068 0.000 0.986 90 D CA 0.769 54.822 54.000 0.088 0.000 0.847 90 D CB -0.250 40.634 40.800 0.140 0.000 0.942 90 D HN 0.428 nan 8.370 nan 0.000 0.467 91 L N -0.105 121.147 121.223 0.047 0.000 2.362 91 L HA -0.038 4.302 4.340 0.000 0.000 0.219 91 L C 1.104 178.013 176.870 0.065 0.000 1.134 91 L CA 0.889 55.777 54.840 0.080 0.000 0.807 91 L CB -0.218 41.909 42.059 0.114 0.000 0.927 91 L HN 0.193 nan 8.230 nan 0.000 0.447 92 G N 0.442 109.260 108.800 0.030 0.000 2.198 92 G HA2 -0.255 3.705 3.960 0.000 0.000 0.257 92 G HA3 -0.255 3.705 3.960 0.000 0.000 0.257 92 G C 0.261 175.198 174.900 0.062 0.000 1.042 92 G CA 0.346 45.470 45.100 0.040 0.000 0.791 92 G HN 0.377 nan 8.290 nan 0.000 0.502 93 V N -3.447 116.501 119.914 0.057 0.000 3.003 93 V HA 0.624 4.744 4.120 0.000 0.000 0.305 93 V C 1.506 177.681 176.094 0.135 0.000 1.078 93 V CA 0.253 62.621 62.300 0.114 0.000 1.083 93 V CB 1.101 32.991 31.823 0.112 0.000 1.039 93 V HN 0.575 nan 8.190 nan 0.000 0.481 94 W N 3.425 124.725 121.300 0.001 0.000 2.418 94 W HA 0.202 4.862 4.660 -0.000 0.000 0.292 94 W C 0.706 177.177 176.519 -0.079 0.000 1.213 94 W CA 1.059 58.383 57.345 -0.034 0.000 1.283 94 W CB 0.229 29.670 29.460 -0.032 0.000 1.119 94 W HN 0.687 nan 8.180 nan 0.000 0.542 95 M N 0.865 120.372 119.600 -0.156 0.000 2.371 95 M HA 0.413 4.893 4.480 0.000 0.000 0.287 95 M C -2.136 174.152 176.300 -0.021 0.000 1.149 95 M CA -0.695 54.334 55.300 -0.452 0.000 0.929 95 M CB 1.812 33.764 32.600 -1.080 0.000 1.683 95 M HN -0.298 nan 8.290 nan 0.000 0.470 96 V N 4.287 124.143 119.914 -0.097 0.000 2.864 96 V HA 0.649 4.769 4.120 0.000 0.000 0.314 96 V C -1.027 175.053 176.094 -0.024 0.000 1.073 96 V CA -0.563 61.728 62.300 -0.016 0.000 0.956 96 V CB 2.302 34.090 31.823 -0.059 0.000 1.023 96 V HN 0.990 nan 8.190 nan 0.000 0.435 97 N N 2.481 121.120 118.700 -0.101 0.000 2.482 97 N HA 0.780 5.520 4.740 0.000 0.000 0.279 97 N C -1.291 174.077 175.510 -0.236 0.000 1.182 97 N CA -0.152 52.815 53.050 -0.140 0.000 0.969 97 N CB 1.894 40.263 38.487 -0.196 0.000 1.201 97 N HN 0.529 nan 8.380 nan 0.000 0.523 98 V N 0.883 120.705 119.914 -0.153 0.000 3.167 98 V HA 0.146 4.266 4.120 0.000 0.000 0.293 98 V C -1.268 174.760 176.094 -0.109 0.000 1.379 98 V CA -0.755 61.513 62.300 -0.054 0.000 1.019 98 V CB 2.120 33.957 31.823 0.022 0.000 1.115 98 V HN 0.663 nan 8.190 nan 0.000 0.442 99 H N 2.646 121.676 119.070 -0.068 0.000 2.652 99 H HA 0.437 4.993 4.556 0.000 0.000 0.298 99 H C 0.925 176.125 175.328 -0.213 0.000 1.076 99 H CA 0.548 56.490 56.048 -0.177 0.000 1.360 99 H CB 2.027 31.581 29.762 -0.347 0.000 1.421 99 H HN 0.861 nan 8.280 nan 0.000 0.464 100 A N 3.270 126.057 122.820 -0.055 0.000 1.940 100 A HA -0.195 4.125 4.320 0.000 0.000 0.219 100 A C 2.246 179.778 177.584 -0.087 0.000 1.176 100 A CA 1.750 53.744 52.037 -0.071 0.000 0.631 100 A CB -0.456 18.492 19.000 -0.087 0.000 0.814 100 A HN 0.696 nan 8.150 nan 0.000 0.446 101 S N -0.476 115.153 115.700 -0.117 0.000 2.584 101 S HA 0.103 4.573 4.470 0.000 0.000 0.240 101 S C 1.536 176.054 174.600 -0.136 0.000 0.975 101 S CA 0.833 58.977 58.200 -0.094 0.000 0.949 101 S CB -0.744 62.436 63.200 -0.033 0.000 0.761 101 S HN 0.662 nan 8.310 nan 0.000 0.536 102 G N 0.628 109.294 108.800 -0.224 0.000 2.744 102 G HA2 0.462 4.422 3.960 0.000 0.000 0.211 102 G HA3 0.462 4.422 3.960 0.000 0.000 0.211 102 G C 0.821 175.758 174.900 0.062 0.000 1.143 102 G CA -0.004 45.078 45.100 -0.030 0.000 0.788 102 G HN 1.273 nan 8.290 nan 0.000 0.534 103 G N -1.833 106.982 108.800 0.025 0.000 2.663 103 G HA2 0.288 4.248 3.960 0.000 0.000 0.686 103 G HA3 0.288 4.248 3.960 0.000 0.000 0.686 103 G C 0.819 175.731 174.900 0.019 0.000 1.288 103 G CA -0.044 45.076 45.100 0.033 0.000 0.836 103 G HN 1.012 nan 8.290 nan 0.000 0.584 104 A N 0.192 123.021 122.820 0.015 0.000 1.898 104 A HA 0.061 4.381 4.320 0.000 0.000 0.216 104 A C 2.410 180.001 177.584 0.011 0.000 1.181 104 A CA 2.183 54.225 52.037 0.007 0.000 0.620 104 A CB -0.312 18.691 19.000 0.004 0.000 0.819 104 A HN 0.793 nan 8.150 nan 0.000 0.442 105 R N -1.278 119.232 120.500 0.016 0.000 2.081 105 R HA -0.090 4.250 4.340 0.000 0.000 0.235 105 R C 2.355 178.666 176.300 0.018 0.000 1.131 105 R CA 1.668 57.777 56.100 0.015 0.000 0.960 105 R CB -0.357 29.951 30.300 0.014 0.000 0.856 105 R HN 0.664 nan 8.270 nan 0.000 0.436 106 M N 0.114 119.730 119.600 0.027 0.000 2.099 106 M HA -0.176 4.304 4.480 0.000 0.000 0.262 106 M C 2.047 178.367 176.300 0.033 0.000 1.067 106 M CA 1.704 57.025 55.300 0.034 0.000 1.124 106 M CB 0.058 32.695 32.600 0.062 0.000 1.353 106 M HN 0.172 nan 8.290 nan 0.000 0.410 107 M N -0.723 118.894 119.600 0.027 0.000 2.213 107 M HA -0.161 4.319 4.480 0.000 0.000 0.263 107 M C 1.794 178.105 176.300 0.019 0.000 1.062 107 M CA 1.649 56.962 55.300 0.021 0.000 1.105 107 M CB -0.534 32.069 32.600 0.005 0.000 1.385 107 M HN 0.324 nan 8.290 nan 0.000 0.417 108 T N 0.739 115.302 114.554 0.016 0.000 2.777 108 T HA -0.050 4.300 4.350 0.000 0.000 0.266 108 T C 1.904 176.617 174.700 0.023 0.000 1.040 108 T CA 1.438 63.548 62.100 0.015 0.000 1.141 108 T CB -0.247 68.628 68.868 0.011 0.000 0.868 108 T HN 0.489 nan 8.240 nan 0.000 0.444 109 A N 1.479 124.312 122.820 0.023 0.000 1.933 109 A HA 0.177 4.497 4.320 0.000 0.000 0.218 109 A C 2.634 180.244 177.584 0.042 0.000 1.175 109 A CA 1.765 53.819 52.037 0.027 0.000 0.628 109 A CB -1.074 17.933 19.000 0.011 0.000 0.814 109 A HN 0.496 nan 8.150 nan 0.000 0.444 110 A N -0.093 122.753 122.820 0.043 0.000 1.877 110 A HA -0.188 4.132 4.320 0.000 0.000 0.216 110 A C 2.262 179.879 177.584 0.055 0.000 1.186 110 A CA 1.853 53.925 52.037 0.057 0.000 0.620 110 A CB -0.544 18.494 19.000 0.064 0.000 0.822 110 A HN 0.572 nan 8.150 nan 0.000 0.443 111 R N -0.048 120.475 120.500 0.039 0.000 2.091 111 R HA -0.175 4.165 4.340 0.000 0.000 0.238 111 R C 1.957 178.288 176.300 0.052 0.000 1.136 111 R CA 1.892 58.013 56.100 0.034 0.000 0.959 111 R CB -0.319 29.994 30.300 0.021 0.000 0.856 111 R HN 0.678 nan 8.270 nan 0.000 0.437 112 E N -0.198 120.033 120.200 0.052 0.000 2.150 112 E HA -0.137 4.213 4.350 0.000 0.000 0.193 112 E C 1.774 178.428 176.600 0.089 0.000 0.985 112 E CA 0.953 57.388 56.400 0.059 0.000 0.814 112 E CB -0.039 29.689 29.700 0.046 0.000 0.752 112 E HN 0.485 nan 8.360 nan 0.000 0.466 113 A N 0.685 123.571 122.820 0.110 0.000 2.172 113 A HA -0.056 4.264 4.320 0.000 0.000 0.216 113 A C 1.925 179.671 177.584 0.269 0.000 1.154 113 A CA 0.688 52.826 52.037 0.168 0.000 0.701 113 A CB -0.206 18.895 19.000 0.169 0.000 0.789 113 A HN 0.146 nan 8.150 nan 0.000 0.465 114 L N -1.175 120.176 121.223 0.213 0.000 2.554 114 L HA 0.019 4.359 4.340 0.000 0.000 0.225 114 L C 2.061 179.101 176.870 0.282 0.000 1.104 114 L CA 0.021 55.034 54.840 0.288 0.000 0.866 114 L CB 0.000 42.121 42.059 0.103 0.000 1.047 114 L HN 0.179 nan 8.230 nan 0.000 0.468 115 V N 1.107 121.117 119.914 0.160 0.000 2.332 115 V HA -0.169 3.951 4.120 0.000 0.000 0.248 115 V C -0.272 175.857 176.094 0.058 0.000 1.055 115 V CA 1.883 64.239 62.300 0.093 0.000 1.038 115 V CB -1.273 30.581 31.823 0.052 0.000 0.651 115 V HN 0.368 nan 8.190 nan 0.000 0.450 116 P HA -0.039 nan 4.420 nan 0.000 0.234 116 P C 0.973 178.085 177.300 -0.312 0.000 1.167 116 P CA 1.058 64.048 63.100 -0.183 0.000 0.763 116 P CB -0.121 31.405 31.700 -0.289 0.000 0.835 117 F N -1.421 118.536 119.950 0.011 0.000 2.727 117 F HA 0.284 4.811 4.527 0.000 0.000 0.302 117 F C 1.983 177.790 175.800 0.011 0.000 1.097 117 F CA 0.502 58.510 58.000 0.013 0.000 1.330 117 F CB -0.697 38.312 39.000 0.016 0.000 1.084 117 F HN -0.045 nan 8.300 nan 0.000 0.578 118 G N 1.157 110.035 108.800 0.130 0.000 2.627 118 G HA2 -0.522 3.438 3.960 0.000 0.000 0.312 118 G HA3 -0.522 3.438 3.960 0.000 0.000 0.312 118 G C 1.154 176.108 174.900 0.091 0.000 1.299 118 G CA 0.911 46.061 45.100 0.084 0.000 0.989 118 G HN 0.274 nan 8.290 nan 0.000 0.547 119 K N 0.426 120.867 120.400 0.068 0.000 2.152 119 K HA -0.068 4.252 4.320 0.000 0.000 0.206 119 K C 1.998 178.640 176.600 0.069 0.000 1.048 119 K CA 2.452 58.774 56.287 0.059 0.000 0.933 119 K CB -0.656 31.873 32.500 0.049 0.000 0.721 119 K HN 0.469 nan 8.250 nan 0.000 0.447 120 D N 0.256 120.715 120.400 0.099 0.000 2.310 120 D HA 0.024 4.664 4.640 0.000 0.000 0.212 120 D C -0.068 176.278 176.300 0.076 0.000 0.965 120 D CA 0.876 54.939 54.000 0.105 0.000 0.879 120 D CB -0.215 40.678 40.800 0.154 0.000 0.921 120 D HN 0.346 nan 8.370 nan 0.000 0.510 121 A N 1.945 124.819 122.820 0.090 0.000 2.567 121 A HA 0.192 4.512 4.320 0.000 0.000 0.240 121 A C -1.811 175.735 177.584 -0.063 0.000 1.053 121 A CA -0.705 51.339 52.037 0.011 0.000 0.755 121 A CB -0.114 18.918 19.000 0.054 0.000 0.978 121 A HN 0.051 nan 8.150 nan 0.000 0.507 122 P HA 0.290 nan 4.420 nan 0.000 0.277 122 P C -0.454 176.705 177.300 -0.236 0.000 1.271 122 P CA -0.474 62.522 63.100 -0.174 0.000 0.795 122 P CB 0.539 32.142 31.700 -0.161 0.000 1.101 123 L N 0.511 121.494 121.223 -0.401 0.000 2.416 123 L HA 0.149 4.489 4.340 0.000 0.000 0.272 123 L C 0.650 177.308 176.870 -0.354 0.000 1.161 123 L CA -0.460 54.120 54.840 -0.433 0.000 0.845 123 L CB -0.030 41.596 42.059 -0.722 0.000 1.119 123 L HN 0.262 nan 8.230 nan 0.000 0.464 124 L N 5.129 126.198 121.223 -0.256 0.000 2.298 124 L HA 0.592 4.932 4.340 0.000 0.000 0.284 124 L C -0.702 176.039 176.870 -0.214 0.000 1.013 124 L CA 0.046 54.772 54.840 -0.190 0.000 0.824 124 L CB 1.198 43.194 42.059 -0.105 0.000 1.221 124 L HN 0.323 nan 8.230 nan 0.000 0.418 125 I N 4.202 124.638 120.570 -0.224 0.000 2.689 125 I HA 0.787 4.957 4.170 0.000 0.000 0.299 125 I C -0.244 175.776 176.117 -0.163 0.000 1.059 125 I CA -0.382 60.774 61.300 -0.240 0.000 1.055 125 I CB 2.159 39.961 38.000 -0.331 0.000 1.243 125 I HN 0.703 nan 8.210 nan 0.000 0.425 126 A N 4.643 127.371 122.820 -0.154 0.000 2.330 126 A HA 0.785 5.105 4.320 0.000 0.000 0.327 126 A C -0.741 176.764 177.584 -0.131 0.000 1.155 126 A CA -0.639 51.325 52.037 -0.122 0.000 0.803 126 A CB 0.967 19.916 19.000 -0.085 0.000 1.208 126 A HN 0.435 nan 8.150 nan 0.000 0.477 127 V N 2.957 122.764 119.914 -0.177 0.000 2.530 127 V HA 0.281 4.401 4.120 0.000 0.000 0.282 127 V C 1.445 177.476 176.094 -0.105 0.000 1.048 127 V CA 0.593 62.783 62.300 -0.184 0.000 0.997 127 V CB 0.742 32.315 31.823 -0.416 0.000 0.987 127 V HN 1.204 nan 8.190 nan 0.000 0.477 128 T N 3.121 117.648 114.554 -0.045 0.000 3.244 128 T HA 0.234 4.584 4.350 0.000 0.000 0.186 128 T C 0.378 175.046 174.700 -0.054 0.000 0.768 128 T CA 0.041 62.112 62.100 -0.048 0.000 2.211 128 T CB 0.115 69.020 68.868 0.062 0.000 2.114 128 T HN 0.290 nan 8.240 nan 0.000 0.420 129 V N 2.934 122.841 119.914 -0.011 0.000 2.398 129 V HA 0.419 4.539 4.120 0.000 0.000 0.286 129 V C 0.122 176.253 176.094 0.061 0.000 1.026 129 V CA -1.014 61.308 62.300 0.037 0.000 0.868 129 V CB 1.096 32.964 31.823 0.075 0.000 0.982 129 V HN 0.507 nan 8.190 nan 0.000 0.443 130 L N 4.136 125.411 121.223 0.087 0.000 2.540 130 L HA 0.063 4.403 4.340 0.000 0.000 0.276 130 L C 1.973 178.876 176.870 0.054 0.000 1.212 130 L CA 0.203 55.085 54.840 0.070 0.000 0.893 130 L CB 0.676 42.791 42.059 0.093 0.000 1.138 130 L HN 0.945 nan 8.230 nan 0.000 0.491 131 T N -2.881 111.694 114.554 0.036 0.000 2.996 131 T HA -0.151 4.199 4.350 0.000 0.000 0.271 131 T C 1.505 176.222 174.700 0.027 0.000 1.126 131 T CA 1.060 63.175 62.100 0.026 0.000 1.103 131 T CB -0.285 68.593 68.868 0.017 0.000 0.870 131 T HN 0.745 nan 8.240 nan 0.000 0.528 132 S N 0.149 115.869 115.700 0.034 0.000 2.593 132 S HA 0.335 4.805 4.470 0.000 0.000 0.217 132 S C 0.588 175.210 174.600 0.037 0.000 0.966 132 S CA -0.518 57.701 58.200 0.031 0.000 0.914 132 S CB -0.543 62.675 63.200 0.030 0.000 0.776 132 S HN 0.494 nan 8.310 nan 0.000 0.523 133 M N 1.413 121.042 119.600 0.048 0.000 2.472 133 M HA 0.539 5.019 4.480 0.000 0.000 0.331 133 M C -0.273 176.059 176.300 0.053 0.000 1.170 133 M CA -0.232 55.102 55.300 0.056 0.000 1.009 133 M CB 2.060 34.709 32.600 0.081 0.000 1.672 133 M HN 0.156 nan 8.290 nan 0.000 0.453 134 E N 0.107 120.336 120.200 0.048 0.000 2.404 134 E HA 0.581 4.931 4.350 0.000 0.000 0.264 134 E C 0.450 177.078 176.600 0.046 0.000 0.946 134 E CA -0.610 55.816 56.400 0.043 0.000 0.806 134 E CB 1.624 31.342 29.700 0.029 0.000 1.334 134 E HN 0.757 nan 8.360 nan 0.000 0.429 135 A N 0.756 123.600 122.820 0.040 0.000 1.896 135 A HA -0.293 4.027 4.320 0.000 0.000 0.220 135 A C 2.139 179.738 177.584 0.025 0.000 1.206 135 A CA 2.984 55.042 52.037 0.035 0.000 0.647 135 A CB -1.386 17.630 19.000 0.027 0.000 0.828 135 A HN 0.635 nan 8.150 nan 0.000 0.455 136 S N 0.347 116.060 115.700 0.021 0.000 2.372 136 S HA -0.288 4.182 4.470 0.000 0.000 0.227 136 S C 1.494 176.104 174.600 0.017 0.000 1.044 136 S CA 1.766 59.975 58.200 0.015 0.000 1.050 136 S CB -0.899 62.309 63.200 0.014 0.000 0.901 136 S HN 0.619 nan 8.310 nan 0.000 0.447 137 D N 1.653 122.068 120.400 0.026 0.000 2.178 137 D HA -0.012 4.628 4.640 0.000 0.000 0.201 137 D C 2.008 178.326 176.300 0.030 0.000 0.980 137 D CA 1.159 55.178 54.000 0.030 0.000 0.842 137 D CB -0.240 40.585 40.800 0.042 0.000 0.948 137 D HN 0.431 nan 8.370 nan 0.000 0.472 138 L N 0.432 121.674 121.223 0.031 0.000 2.179 138 L HA -0.073 4.267 4.340 0.000 0.000 0.208 138 L C 2.600 179.459 176.870 -0.018 0.000 1.096 138 L CA 0.182 55.030 54.840 0.012 0.000 0.779 138 L CB -0.197 41.870 42.059 0.014 0.000 0.922 138 L HN -0.122 nan 8.230 nan 0.000 0.443 139 V N 0.425 120.334 119.914 -0.010 0.000 2.324 139 V HA -0.348 3.772 4.120 0.000 0.000 0.250 139 V C 2.102 178.187 176.094 -0.016 0.000 1.060 139 V CA 2.102 64.393 62.300 -0.016 0.000 1.042 139 V CB -0.484 31.335 31.823 -0.006 0.000 0.650 139 V HN 0.493 nan 8.190 nan 0.000 0.450 140 D N -0.004 120.392 120.400 -0.007 0.000 2.178 140 D HA -0.131 4.509 4.640 0.000 0.000 0.201 140 D C 1.940 178.234 176.300 -0.010 0.000 0.980 140 D CA 1.172 55.169 54.000 -0.005 0.000 0.842 140 D CB -0.233 40.568 40.800 0.002 0.000 0.948 140 D HN 0.402 nan 8.370 nan 0.000 0.472 141 L N -0.620 120.594 121.223 -0.014 0.000 2.552 141 L HA 0.130 4.470 4.340 0.000 0.000 0.227 141 L C 1.645 178.492 176.870 -0.038 0.000 1.146 141 L CA 0.614 55.442 54.840 -0.021 0.000 0.858 141 L CB -0.341 41.707 42.059 -0.018 0.000 0.969 141 L HN 0.132 nan 8.230 nan 0.000 0.451 142 G N -0.676 108.098 108.800 -0.043 0.000 2.157 142 G HA2 -0.241 3.719 3.960 0.000 0.000 0.239 142 G HA3 -0.241 3.719 3.960 0.000 0.000 0.239 142 G C 0.261 175.113 174.900 -0.080 0.000 0.982 142 G CA -0.353 44.718 45.100 -0.049 0.000 0.650 142 G HN 0.103 nan 8.290 nan 0.000 0.527 143 M N 2.477 122.008 119.600 -0.116 0.000 2.108 143 M HA 0.306 4.786 4.480 0.000 0.000 0.347 143 M C 1.904 178.128 176.300 -0.127 0.000 1.326 143 M CA 0.821 56.004 55.300 -0.194 0.000 1.126 143 M CB 0.518 32.911 32.600 -0.345 0.000 1.606 143 M HN 0.369 nan 8.290 nan 0.000 0.462 144 T N 1.446 115.940 114.554 -0.101 0.000 3.054 144 T HA 0.209 4.559 4.350 0.000 0.000 0.259 144 T C 0.967 175.647 174.700 -0.033 0.000 1.092 144 T CA 0.127 62.195 62.100 -0.052 0.000 1.121 144 T CB 0.026 68.874 68.868 -0.034 0.000 0.912 144 T HN 0.518 nan 8.240 nan 0.000 0.489 145 L N 3.333 124.528 121.223 -0.047 0.000 2.439 145 L HA 0.296 4.636 4.340 0.000 0.000 0.269 145 L C 1.005 177.905 176.870 0.051 0.000 1.179 145 L CA -0.757 54.093 54.840 0.017 0.000 0.828 145 L CB 0.492 42.586 42.059 0.057 0.000 1.106 145 L HN 0.330 nan 8.230 nan 0.000 0.467 146 S N 1.813 117.561 115.700 0.079 0.000 2.584 146 S HA 0.163 4.633 4.470 0.000 0.000 0.270 146 S C -1.844 172.843 174.600 0.145 0.000 1.346 146 S CA -1.084 57.169 58.200 0.088 0.000 1.018 146 S CB 0.812 64.055 63.200 0.072 0.000 0.899 146 S HN 0.425 nan 8.310 nan 0.000 0.542 147 P HA -0.135 nan 4.420 nan 0.000 0.217 147 P C 1.535 178.931 177.300 0.160 0.000 1.151 147 P CA 2.043 65.239 63.100 0.160 0.000 0.849 147 P CB -0.214 31.547 31.700 0.101 0.000 0.787 148 A N -0.168 122.726 122.820 0.124 0.000 1.841 148 A HA -0.206 4.114 4.320 0.000 0.000 0.214 148 A C 2.053 179.763 177.584 0.210 0.000 1.195 148 A CA 2.038 54.151 52.037 0.126 0.000 0.611 148 A CB -1.403 17.644 19.000 0.079 0.000 0.835 148 A HN 0.088 nan 8.150 nan 0.000 0.443 149 D N -1.601 118.911 120.400 0.187 0.000 2.117 149 D HA -0.145 4.496 4.640 0.000 0.000 0.197 149 D C 1.724 178.180 176.300 0.261 0.000 0.987 149 D CA 1.468 55.587 54.000 0.199 0.000 0.829 149 D CB -0.453 40.434 40.800 0.145 0.000 0.961 149 D HN 0.522 nan 8.370 nan 0.000 0.460 150 Y N 1.839 122.208 120.300 0.115 0.000 2.200 150 Y HA -0.095 4.455 4.550 0.000 0.000 0.290 150 Y C 2.224 178.211 175.900 0.146 0.000 1.137 150 Y CA 1.057 59.220 58.100 0.106 0.000 1.163 150 Y CB -0.659 37.852 38.460 0.084 0.000 0.988 150 Y HN -0.065 nan 8.280 nan 0.000 0.518 151 A N 0.163 123.068 122.820 0.142 0.000 1.877 151 A HA -0.240 4.080 4.320 0.000 0.000 0.216 151 A C 2.295 180.056 177.584 0.295 0.000 1.186 151 A CA 1.840 53.976 52.037 0.166 0.000 0.620 151 A CB -0.973 18.215 19.000 0.313 0.000 0.822 151 A HN 0.604 nan 8.150 nan 0.000 0.443 152 E N -0.471 119.972 120.200 0.406 0.000 2.110 152 E HA -0.243 4.107 4.350 0.000 0.000 0.193 152 E C 2.261 178.917 176.600 0.094 0.000 0.988 152 E CA 1.219 57.750 56.400 0.218 0.000 0.804 152 E CB -0.134 29.754 29.700 0.314 0.000 0.745 152 E HN 0.590 nan 8.360 nan 0.000 0.458 153 R N -0.170 120.394 120.500 0.107 0.000 2.073 153 R HA -0.141 4.199 4.340 0.000 0.000 0.234 153 R C 2.248 178.538 176.300 -0.016 0.000 1.134 153 R CA 1.118 57.263 56.100 0.074 0.000 0.952 153 R CB -0.127 30.261 30.300 0.147 0.000 0.850 153 R HN 0.186 nan 8.270 nan 0.000 0.433 154 L N 0.452 121.621 121.223 -0.089 0.000 2.131 154 L HA -0.067 4.273 4.340 0.000 0.000 0.210 154 L C 2.335 179.109 176.870 -0.159 0.000 1.092 154 L CA 1.874 56.625 54.840 -0.149 0.000 0.759 154 L CB -0.810 41.093 42.059 -0.260 0.000 0.903 154 L HN 0.264 nan 8.230 nan 0.000 0.435 155 A N -1.129 121.555 122.820 -0.227 0.000 1.970 155 A HA 0.040 4.360 4.320 0.000 0.000 0.216 155 A C 2.476 179.631 177.584 -0.715 0.000 1.170 155 A CA 1.235 52.992 52.037 -0.467 0.000 0.645 155 A CB -0.607 17.876 19.000 -0.861 0.000 0.816 155 A HN 0.345 nan 8.150 nan 0.000 0.447 156 A N -0.349 122.225 122.820 -0.410 0.000 1.898 156 A HA -0.011 4.309 4.320 0.000 0.000 0.216 156 A C 2.096 179.544 177.584 -0.227 0.000 1.181 156 A CA 1.622 53.509 52.037 -0.250 0.000 0.620 156 A CB -0.602 18.426 19.000 0.047 0.000 0.819 156 A HN 0.573 nan 8.150 nan 0.000 0.442 157 L N -0.209 120.926 121.223 -0.146 0.000 2.083 157 L HA -0.108 4.232 4.340 0.000 0.000 0.209 157 L C 2.486 179.290 176.870 -0.111 0.000 1.083 157 L CA 2.580 57.362 54.840 -0.097 0.000 0.752 157 L CB -0.763 41.264 42.059 -0.054 0.000 0.899 157 L HN 0.380 nan 8.230 nan 0.000 0.433 158 T N -1.123 113.352 114.554 -0.132 0.000 2.746 158 T HA -0.265 4.085 4.350 0.000 0.000 0.267 158 T C 1.734 176.400 174.700 -0.058 0.000 1.039 158 T CA 1.750 63.814 62.100 -0.060 0.000 1.142 158 T CB -0.153 68.720 68.868 0.008 0.000 0.866 158 T HN 0.500 nan 8.240 nan 0.000 0.444 159 Q N 0.872 120.511 119.800 -0.269 0.000 2.083 159 Q HA -0.061 4.279 4.340 0.000 0.000 0.198 159 Q C 2.110 177.991 176.000 -0.198 0.000 0.969 159 Q CA 1.275 56.846 55.803 -0.387 0.000 0.838 159 Q CB -0.036 28.134 28.738 -0.947 0.000 0.900 159 Q HN 0.403 nan 8.270 nan 0.000 0.436 160 K N -0.475 119.822 120.400 -0.172 0.000 2.152 160 K HA -0.126 4.194 4.320 0.000 0.000 0.206 160 K C 1.841 178.406 176.600 -0.058 0.000 1.048 160 K CA 1.270 57.499 56.287 -0.096 0.000 0.933 160 K CB -0.055 32.400 32.500 -0.075 0.000 0.721 160 K HN 0.287 nan 8.250 nan 0.000 0.447 161 C N 0.288 119.558 119.300 -0.051 0.000 2.576 161 C HA 0.162 4.622 4.460 0.000 0.000 0.267 161 C C 1.425 176.409 174.990 -0.011 0.000 1.364 161 C CA 0.345 59.349 59.018 -0.023 0.000 1.723 161 C CB -1.136 26.594 27.740 -0.017 0.000 1.778 161 C HN 0.780 nan 8.230 nan 0.000 0.572 162 G N 0.522 109.314 108.800 -0.013 0.000 2.136 162 G HA2 -0.191 3.769 3.960 0.000 0.000 0.242 162 G HA3 -0.191 3.769 3.960 0.000 0.000 0.242 162 G C 0.056 174.973 174.900 0.028 0.000 0.989 162 G CA -0.245 44.859 45.100 0.007 0.000 0.682 162 G HN 0.467 nan 8.290 nan 0.000 0.522 163 L N 0.018 121.269 121.223 0.048 0.000 2.466 163 L HA 0.267 4.607 4.340 0.000 0.000 0.257 163 L C 1.223 178.128 176.870 0.059 0.000 1.189 163 L CA -0.028 54.831 54.840 0.031 0.000 0.813 163 L CB 0.275 42.337 42.059 0.005 0.000 1.118 163 L HN -0.007 nan 8.230 nan 0.000 0.471 164 D N 0.344 120.705 120.400 -0.065 0.000 2.347 164 D HA 0.156 4.796 4.640 0.000 0.000 0.215 164 D C 0.828 176.936 176.300 -0.321 0.000 0.976 164 D CA 0.613 54.541 54.000 -0.120 0.000 0.884 164 D CB 0.739 41.433 40.800 -0.176 0.000 0.915 164 D HN 0.721 nan 8.370 nan 0.000 0.526 165 G N -1.209 107.260 108.800 -0.553 0.000 2.317 165 G HA2 0.342 4.302 3.960 0.000 0.000 0.293 165 G HA3 0.342 4.302 3.960 0.000 0.000 0.293 165 G C -1.872 172.531 174.900 -0.829 0.000 1.287 165 G CA -0.582 43.803 45.100 -1.191 0.000 0.850 165 G HN -0.016 nan 8.290 nan 0.000 0.515 166 V N -0.952 118.537 119.914 -0.709 0.000 3.040 166 V HA 0.753 4.873 4.120 0.000 0.000 0.312 166 V C -0.382 175.623 176.094 -0.149 0.000 1.115 166 V CA -0.713 61.408 62.300 -0.297 0.000 0.998 166 V CB 2.224 33.976 31.823 -0.119 0.000 1.042 166 V HN 0.803 nan 8.190 nan 0.000 0.433 167 V N 2.760 122.631 119.914 -0.073 0.000 2.435 167 V HA 0.706 4.826 4.120 0.000 0.000 0.290 167 V C 0.039 176.151 176.094 0.030 0.000 1.030 167 V CA -0.186 62.100 62.300 -0.022 0.000 0.881 167 V CB 0.965 32.778 31.823 -0.017 0.000 0.983 167 V HN 1.209 nan 8.190 nan 0.000 0.445 168 C N 1.874 121.199 119.300 0.042 0.000 3.251 168 C HA 0.820 5.280 4.460 0.000 0.000 0.376 168 C C 0.004 174.987 174.990 -0.011 0.000 1.791 168 C CA -0.699 58.338 59.018 0.033 0.000 1.163 168 C CB 1.299 29.075 27.740 0.060 0.000 2.128 168 C HN 0.732 nan 8.230 nan 0.000 0.429 169 S N -0.239 115.424 115.700 -0.061 0.000 2.646 169 S HA 0.595 5.065 4.470 0.000 0.000 0.276 169 S C 1.057 175.601 174.600 -0.094 0.000 1.222 169 S CA 0.271 58.435 58.200 -0.060 0.000 1.014 169 S CB 1.310 64.475 63.200 -0.059 0.000 0.991 169 S HN 1.896 nan 8.310 nan 0.000 0.533 170 A N 2.763 125.549 122.820 -0.056 0.000 2.119 170 A HA 0.014 4.334 4.320 0.000 0.000 0.217 170 A C 1.938 179.473 177.584 -0.082 0.000 1.153 170 A CA 0.708 52.711 52.037 -0.056 0.000 0.692 170 A CB -0.427 18.559 19.000 -0.024 0.000 0.799 170 A HN 0.794 nan 8.150 nan 0.000 0.458 171 Q N -0.174 119.573 119.800 -0.089 0.000 2.364 171 Q HA -0.129 4.211 4.340 0.000 0.000 0.207 171 Q C 0.924 176.833 176.000 -0.152 0.000 0.970 171 Q CA 1.386 57.135 55.803 -0.090 0.000 0.888 171 Q CB -0.080 28.620 28.738 -0.064 0.000 0.951 171 Q HN 0.807 nan 8.270 nan 0.000 0.469 172 E N -0.581 119.455 120.200 -0.273 0.000 2.473 172 E HA 0.177 4.527 4.350 0.000 0.000 0.204 172 E C 1.608 177.920 176.600 -0.481 0.000 0.994 172 E CA 0.499 56.582 56.400 -0.528 0.000 0.945 172 E CB 0.126 29.182 29.700 -1.074 0.000 0.990 172 E HN 0.248 nan 8.360 nan 0.000 0.493 173 A N 0.806 123.481 122.820 -0.241 0.000 1.884 173 A HA -0.235 4.085 4.320 0.000 0.000 0.219 173 A C 2.322 179.915 177.584 0.015 0.000 1.197 173 A CA 1.804 53.803 52.037 -0.065 0.000 0.637 173 A CB -0.992 17.993 19.000 -0.026 0.000 0.827 173 A HN 0.146 nan 8.150 nan 0.000 0.450 174 V N 0.104 120.010 119.914 -0.012 0.000 2.231 174 V HA -0.308 3.812 4.120 0.000 0.000 0.248 174 V C 2.788 178.908 176.094 0.045 0.000 1.054 174 V CA 2.398 64.707 62.300 0.015 0.000 1.015 174 V CB -0.840 30.981 31.823 -0.003 0.000 0.638 174 V HN 0.549 nan 8.190 nan 0.000 0.444 175 R N -0.559 119.962 120.500 0.036 0.000 2.097 175 R HA -0.160 4.180 4.340 0.000 0.000 0.236 175 R C 2.316 178.730 176.300 0.189 0.000 1.135 175 R CA 2.161 58.312 56.100 0.086 0.000 0.934 175 R CB -1.006 29.355 30.300 0.102 0.000 0.846 175 R HN 0.591 nan 8.270 nan 0.000 0.431 176 F N 0.792 120.755 119.950 0.021 0.000 2.065 176 F HA -0.300 4.227 4.527 0.000 0.000 0.298 176 F C 2.547 178.411 175.800 0.106 0.000 1.112 176 F CA 0.885 58.953 58.000 0.113 0.000 1.212 176 F CB -0.236 39.003 39.000 0.398 0.000 0.975 176 F HN 0.051 nan 8.300 nan 0.000 0.476 177 K N 0.917 121.514 120.400 0.329 0.000 2.074 177 K HA -0.244 4.076 4.320 0.000 0.000 0.209 177 K C 1.884 178.550 176.600 0.110 0.000 1.048 177 K CA 1.904 58.321 56.287 0.216 0.000 0.926 177 K CB -0.571 32.014 32.500 0.141 0.000 0.713 177 K HN 0.506 nan 8.250 nan 0.000 0.444 178 Q N -1.061 118.765 119.800 0.044 0.000 2.432 178 Q HA 0.029 4.369 4.340 0.000 0.000 0.205 178 Q C 1.322 177.266 176.000 -0.095 0.000 0.945 178 Q CA 0.810 56.605 55.803 -0.013 0.000 0.924 178 Q CB 0.322 29.052 28.738 -0.013 0.000 1.016 178 Q HN 0.036 nan 8.270 nan 0.000 0.503 179 V N -0.512 119.266 119.914 -0.227 0.000 3.431 179 V HA 0.055 4.175 4.120 0.000 0.000 0.253 179 V C 0.606 176.360 176.094 -0.567 0.000 1.184 179 V CA 0.671 62.682 62.300 -0.481 0.000 1.104 179 V CB -0.022 31.335 31.823 -0.776 0.000 0.799 179 V HN 0.280 nan 8.190 nan 0.000 0.462 180 F N 0.338 120.264 119.950 -0.040 0.000 2.746 180 F HA 0.648 5.175 4.527 0.000 0.000 0.313 180 F C 1.275 177.056 175.800 -0.032 0.000 1.095 180 F CA -0.031 57.890 58.000 -0.131 0.000 1.224 180 F CB 0.061 38.923 39.000 -0.230 0.000 1.060 180 F HN 0.168 nan 8.300 nan 0.000 0.584 181 G N 0.755 109.653 108.800 0.165 0.000 2.699 181 G HA2 -0.161 3.799 3.960 0.000 0.000 0.686 181 G HA3 -0.161 3.799 3.960 0.000 0.000 0.686 181 G C 0.264 175.272 174.900 0.180 0.000 1.301 181 G CA -0.515 44.666 45.100 0.135 0.000 0.816 181 G HN -0.040 nan 8.290 nan 0.000 0.595 182 Q N 0.136 120.010 119.800 0.123 0.000 2.170 182 Q HA -0.066 4.274 4.340 0.000 0.000 0.203 182 Q C 2.402 178.476 176.000 0.123 0.000 0.976 182 Q CA 2.015 57.884 55.803 0.110 0.000 0.858 182 Q CB -0.181 28.597 28.738 0.067 0.000 0.907 182 Q HN 0.796 nan 8.270 nan 0.000 0.433 183 E N 0.543 120.822 120.200 0.131 0.000 2.038 183 E HA -0.119 4.231 4.350 0.000 0.000 0.195 183 E C 0.409 177.118 176.600 0.181 0.000 1.000 183 E CA 0.149 56.627 56.400 0.130 0.000 0.803 183 E CB -0.432 29.339 29.700 0.119 0.000 0.750 183 E HN 0.313 nan 8.360 nan 0.000 0.448 184 F N 2.662 122.638 119.950 0.045 0.000 2.569 184 F HA -0.089 4.438 4.527 0.000 0.000 0.395 184 F C 0.682 176.509 175.800 0.046 0.000 1.028 184 F CA 0.122 58.137 58.000 0.025 0.000 1.158 184 F CB 0.283 39.307 39.000 0.040 0.000 1.023 184 F HN -0.274 nan 8.300 nan 0.000 0.547 185 K N 7.541 127.777 120.400 -0.273 0.000 2.322 185 K HA 0.332 4.652 4.320 0.000 0.000 0.283 185 K C -0.773 175.683 176.600 -0.241 0.000 1.042 185 K CA -0.313 55.865 56.287 -0.181 0.000 0.958 185 K CB 1.044 33.473 32.500 -0.119 0.000 0.984 185 K HN 0.592 nan 8.250 nan 0.000 0.473 186 L N 3.435 124.633 121.223 -0.042 0.000 2.305 186 L HA 0.381 4.721 4.340 0.000 0.000 0.284 186 L C -0.639 176.265 176.870 0.057 0.000 1.013 186 L CA -1.143 53.700 54.840 0.006 0.000 0.819 186 L CB 1.626 43.740 42.059 0.092 0.000 1.227 186 L HN 0.268 nan 8.230 nan 0.000 0.417 187 V N 1.848 121.774 119.914 0.020 0.000 2.384 187 V HA 0.504 4.624 4.120 0.000 0.000 0.287 187 V C 0.176 176.308 176.094 0.062 0.000 1.020 187 V CA -0.424 61.912 62.300 0.059 0.000 0.850 187 V CB 1.738 33.523 31.823 -0.063 0.000 0.987 187 V HN 0.857 nan 8.190 nan 0.000 0.436 188 T N 3.994 118.599 114.554 0.085 0.000 2.890 188 T HA 0.673 5.023 4.350 0.000 0.000 0.295 188 T C -2.909 171.831 174.700 0.067 0.000 0.993 188 T CA -1.979 60.157 62.100 0.059 0.000 0.979 188 T CB 2.627 71.513 68.868 0.030 0.000 0.967 188 T HN 0.364 nan 8.240 nan 0.000 0.441 189 P HA 0.641 nan 4.420 nan 0.000 0.321 189 P C 0.793 178.112 177.300 0.031 0.000 1.304 189 P CA 0.067 63.200 63.100 0.054 0.000 0.759 189 P CB 0.242 31.973 31.700 0.051 0.000 1.385 190 G N -1.037 107.777 108.800 0.023 0.000 2.225 190 G HA2 -0.161 3.799 3.960 0.000 0.000 0.264 190 G HA3 -0.161 3.799 3.960 0.000 0.000 0.264 190 G C -0.363 174.544 174.900 0.011 0.000 1.060 190 G CA -0.461 44.646 45.100 0.013 0.000 0.833 190 G HN 0.300 nan 8.290 nan 0.000 0.498 191 I N 0.807 121.387 120.570 0.017 0.000 2.304 191 I HA 0.500 4.670 4.170 0.000 0.000 0.291 191 I C 0.359 176.482 176.117 0.009 0.000 1.018 191 I CA -0.631 60.679 61.300 0.016 0.000 1.260 191 I CB 1.185 39.202 38.000 0.028 0.000 1.390 191 I HN 0.054 nan 8.210 nan 0.000 0.475 192 R N 7.559 128.063 120.500 0.006 0.000 2.468 192 R HA 0.399 4.739 4.340 0.000 0.000 0.302 192 R C -2.708 173.593 176.300 0.002 0.000 1.041 192 R CA -1.669 54.431 56.100 0.001 0.000 0.899 192 R CB 2.350 32.650 30.300 -0.002 0.000 1.167 192 R HN 0.302 nan 8.270 nan 0.000 0.483 193 P HA 0.007 nan 4.420 nan 0.000 0.276 193 P C -0.208 177.093 177.300 0.001 0.000 1.230 193 P CA -0.398 62.704 63.100 0.004 0.000 0.776 193 P CB 0.757 32.461 31.700 0.007 0.000 0.888 194 Q N 2.115 121.916 119.800 0.002 0.000 2.368 194 Q HA -0.020 4.320 4.340 0.000 0.000 0.331 194 Q C 0.821 176.821 176.000 -0.000 0.000 1.086 194 Q CA 1.307 57.110 55.803 0.001 0.000 1.031 194 Q CB -0.836 27.903 28.738 0.001 0.000 1.125 194 Q HN 0.910 nan 8.270 nan 0.000 0.389 195 G N 2.163 110.962 108.800 -0.002 0.000 2.349 195 G HA2 -0.316 3.644 3.960 0.000 0.000 0.213 195 G HA3 -0.316 3.644 3.960 0.000 0.000 0.213 195 G C 0.191 175.088 174.900 -0.005 0.000 1.044 195 G CA 0.239 45.337 45.100 -0.002 0.000 0.633 195 G HN 1.332 nan 8.290 nan 0.000 0.506 196 S N 0.683 116.379 115.700 -0.006 0.000 2.593 196 S HA 0.579 5.049 4.470 0.000 0.000 0.269 196 S C 0.072 174.665 174.600 -0.011 0.000 1.334 196 S CA 0.372 58.566 58.200 -0.010 0.000 1.015 196 S CB 2.060 65.254 63.200 -0.011 0.000 0.912 196 S HN 0.568 nan 8.310 nan 0.000 0.541 197 E N 0.245 120.436 120.200 -0.015 0.000 2.360 197 E HA 0.479 4.829 4.350 0.000 0.000 0.269 197 E C 0.825 177.416 176.600 -0.014 0.000 1.022 197 E CA 0.403 56.794 56.400 -0.015 0.000 0.887 197 E CB 0.889 30.577 29.700 -0.020 0.000 0.990 197 E HN 0.736 nan 8.360 nan 0.000 0.426 198 A N 3.649 126.463 122.820 -0.011 0.000 1.898 198 A HA 0.279 4.599 4.320 0.000 0.000 0.214 198 A C 1.512 179.090 177.584 -0.010 0.000 1.183 198 A CA 1.367 53.399 52.037 -0.008 0.000 0.622 198 A CB -1.161 17.837 19.000 -0.005 0.000 0.824 198 A HN 0.977 nan 8.150 nan 0.000 0.444 199 G N 0.436 109.229 108.800 -0.011 0.000 2.536 199 G HA2 -0.362 3.598 3.960 0.000 0.000 0.280 199 G HA3 -0.362 3.598 3.960 0.000 0.000 0.280 199 G C 0.356 175.252 174.900 -0.007 0.000 1.152 199 G CA 0.698 45.790 45.100 -0.013 0.000 0.970 199 G HN 0.869 nan 8.290 nan 0.000 0.549 200 D N 0.940 121.337 120.400 -0.006 0.000 2.349 200 D HA 0.218 4.858 4.640 0.000 0.000 0.214 200 D C 1.029 177.332 176.300 0.005 0.000 1.063 200 D CA 0.403 54.403 54.000 0.000 0.000 0.847 200 D CB 0.182 40.982 40.800 0.001 0.000 0.933 200 D HN 0.419 nan 8.370 nan 0.000 0.513 201 Q N 0.538 120.339 119.800 0.002 0.000 2.327 201 Q HA 0.212 4.552 4.340 0.000 0.000 0.254 201 Q C 0.723 176.727 176.000 0.007 0.000 0.952 201 Q CA 0.082 55.888 55.803 0.005 0.000 0.884 201 Q CB 1.073 29.811 28.738 0.001 0.000 1.224 201 Q HN -0.114 nan 8.270 nan 0.000 0.422 202 R N 2.193 122.700 120.500 0.010 0.000 2.302 202 R HA 0.239 4.579 4.340 0.000 0.000 0.187 202 R C -0.095 176.209 176.300 0.008 0.000 0.904 202 R CA 0.445 56.552 56.100 0.010 0.000 1.105 202 R CB 0.297 30.607 30.300 0.016 0.000 1.239 202 R HN 0.458 nan 8.270 nan 0.000 0.620 203 R N 2.390 122.894 120.500 0.008 0.000 3.171 203 R HA 0.340 4.680 4.340 0.000 0.000 0.241 203 R C 0.266 176.563 176.300 -0.004 0.000 1.421 203 R CA -0.115 55.985 56.100 0.000 0.000 1.444 203 R CB 0.014 30.313 30.300 -0.002 0.000 1.247 203 R HN 0.209 nan 8.270 nan 0.000 0.636 204 I N -2.020 118.549 120.570 -0.003 0.000 2.924 204 I HA 0.654 4.824 4.170 0.000 0.000 0.316 204 I C -0.202 175.912 176.117 -0.005 0.000 1.014 204 I CA -1.117 60.181 61.300 -0.002 0.000 1.106 204 I CB 1.679 39.679 38.000 -0.000 0.000 1.311 204 I HN 0.262 nan 8.210 nan 0.000 0.502 205 M N 1.870 121.469 119.600 -0.002 0.000 2.562 205 M HA 0.290 4.770 4.480 0.000 0.000 0.281 205 M C -0.800 175.501 176.300 0.002 0.000 1.195 205 M CA -0.452 54.846 55.300 -0.003 0.000 0.888 205 M CB 2.611 35.207 32.600 -0.007 0.000 1.731 205 M HN 0.957 nan 8.290 nan 0.000 0.493 206 T N -0.287 114.269 114.554 0.002 0.000 2.868 206 T HA 0.404 4.754 4.350 0.000 0.000 0.292 206 T C -2.400 172.305 174.700 0.008 0.000 1.028 206 T CA -1.334 60.769 62.100 0.005 0.000 1.059 206 T CB 0.668 69.538 68.868 0.004 0.000 0.991 206 T HN 0.377 nan 8.240 nan 0.000 0.531 207 P HA -0.150 nan 4.420 nan 0.000 0.215 207 P C 1.333 178.640 177.300 0.011 0.000 1.163 207 P CA 1.255 64.365 63.100 0.017 0.000 0.894 207 P CB 0.032 31.744 31.700 0.021 0.000 0.791 208 E N -0.496 119.709 120.200 0.008 0.000 2.058 208 E HA -0.209 4.141 4.350 0.000 0.000 0.194 208 E C 2.177 178.778 176.600 0.002 0.000 0.997 208 E CA 1.329 57.732 56.400 0.005 0.000 0.801 208 E CB -0.950 28.753 29.700 0.004 0.000 0.746 208 E HN 0.409 nan 8.360 nan 0.000 0.450 209 Q N -0.098 119.703 119.800 0.002 0.000 2.084 209 Q HA -0.077 4.263 4.340 0.000 0.000 0.202 209 Q C 2.258 178.256 176.000 -0.002 0.000 0.978 209 Q CA 1.339 57.141 55.803 -0.001 0.000 0.844 209 Q CB -0.248 28.489 28.738 -0.002 0.000 0.898 209 Q HN 0.323 nan 8.270 nan 0.000 0.426 210 A N 0.947 123.767 122.820 0.000 0.000 1.883 210 A HA -0.206 4.114 4.320 0.000 0.000 0.217 210 A C 2.071 179.654 177.584 -0.001 0.000 1.186 210 A CA 1.297 53.335 52.037 0.001 0.000 0.624 210 A CB -0.720 18.286 19.000 0.009 0.000 0.822 210 A HN 0.346 nan 8.150 nan 0.000 0.444 211 L N -0.226 120.996 121.223 -0.001 0.000 1.989 211 L HA -0.143 4.197 4.340 0.000 0.000 0.211 211 L C 2.689 179.555 176.870 -0.007 0.000 1.071 211 L CA 2.554 57.389 54.840 -0.007 0.000 0.749 211 L CB -0.635 41.420 42.059 -0.007 0.000 0.890 211 L HN 0.366 nan 8.230 nan 0.000 0.431 212 S N -0.922 114.775 115.700 -0.004 0.000 2.400 212 S HA -0.175 4.295 4.470 0.000 0.000 0.232 212 S C 2.042 176.640 174.600 -0.002 0.000 1.025 212 S CA 1.108 59.306 58.200 -0.003 0.000 0.993 212 S CB -0.432 62.767 63.200 -0.003 0.000 0.808 212 S HN 0.607 nan 8.310 nan 0.000 0.478 213 A N -0.194 122.624 122.820 -0.004 0.000 2.119 213 A HA 0.395 4.715 4.320 0.000 0.000 0.217 213 A C 1.791 179.378 177.584 0.004 0.000 1.153 213 A CA 1.229 53.264 52.037 -0.004 0.000 0.692 213 A CB -1.051 17.942 19.000 -0.012 0.000 0.799 213 A HN 1.432 nan 8.150 nan 0.000 0.458 214 G N -1.367 107.435 108.800 0.003 0.000 2.159 214 G HA2 -0.107 3.853 3.960 0.000 0.000 0.227 214 G HA3 -0.107 3.853 3.960 0.000 0.000 0.227 214 G C 0.452 175.357 174.900 0.009 0.000 0.986 214 G CA 0.426 45.531 45.100 0.009 0.000 0.651 214 G HN 1.755 nan 8.290 nan 0.000 0.523 215 V N -1.677 118.239 119.914 0.003 0.000 3.032 215 V HA 0.394 4.514 4.120 0.000 0.000 0.307 215 V C 1.135 177.205 176.094 -0.041 0.000 1.097 215 V CA 1.013 63.317 62.300 0.006 0.000 1.191 215 V CB 0.999 32.831 31.823 0.016 0.000 0.964 215 V HN 0.162 nan 8.190 nan 0.000 0.494 216 D N 1.478 121.844 120.400 -0.056 0.000 2.216 216 D HA 0.124 4.764 4.640 0.000 0.000 0.208 216 D C -0.245 175.747 176.300 -0.514 0.000 0.960 216 D CA 1.603 55.449 54.000 -0.256 0.000 0.861 216 D CB 0.261 40.962 40.800 -0.165 0.000 0.985 216 D HN 0.735 nan 8.370 nan 0.000 0.493 217 Y N -0.270 120.048 120.300 0.030 0.000 2.534 217 Y HA 0.364 4.914 4.550 0.000 0.000 0.345 217 Y C -0.119 175.809 175.900 0.047 0.000 1.031 217 Y CA -1.200 56.932 58.100 0.055 0.000 1.022 217 Y CB 1.653 40.169 38.460 0.093 0.000 1.292 217 Y HN -0.272 nan 8.280 nan 0.000 0.459 218 M N 1.174 120.899 119.600 0.208 0.000 2.395 218 M HA 0.868 5.348 4.480 0.000 0.000 0.307 218 M C -1.936 174.458 176.300 0.157 0.000 1.091 218 M CA -1.066 54.318 55.300 0.141 0.000 0.919 218 M CB 2.041 34.693 32.600 0.086 0.000 1.662 218 M HN 0.285 nan 8.290 nan 0.000 0.440 219 V N 4.749 124.747 119.914 0.140 0.000 2.370 219 V HA 0.551 4.671 4.120 0.000 0.000 0.279 219 V C -0.254 175.896 176.094 0.092 0.000 1.029 219 V CA -0.399 61.987 62.300 0.143 0.000 0.870 219 V CB 1.228 33.149 31.823 0.163 0.000 0.984 219 V HN 0.797 nan 8.190 nan 0.000 0.451 220 I N 3.774 124.395 120.570 0.085 0.000 2.447 220 I HA 0.623 4.793 4.170 0.000 0.000 0.287 220 I C 0.867 176.998 176.117 0.023 0.000 1.023 220 I CA -0.249 61.079 61.300 0.047 0.000 1.083 220 I CB 1.899 39.928 38.000 0.048 0.000 1.245 220 I HN 0.691 nan 8.210 nan 0.000 0.434 221 G N 4.382 113.175 108.800 -0.012 0.000 2.601 221 G HA2 0.151 4.111 3.960 0.000 0.000 0.214 221 G HA3 0.151 4.111 3.960 0.000 0.000 0.214 221 G C 1.147 175.981 174.900 -0.109 0.000 2.067 221 G CA -0.164 44.901 45.100 -0.058 0.000 0.774 221 G HN 0.510 nan 8.290 nan 0.000 0.729 222 R N 1.027 121.461 120.500 -0.110 0.000 2.119 222 R HA -0.109 4.232 4.340 0.000 0.000 0.246 222 R C -0.218 176.023 176.300 -0.099 0.000 1.146 222 R CA 2.085 58.111 56.100 -0.124 0.000 0.962 222 R CB -1.054 29.189 30.300 -0.096 0.000 0.863 222 R HN 0.296 nan 8.270 nan 0.000 0.442 223 P HA -0.154 nan 4.420 nan 0.000 0.217 223 P C 1.012 178.281 177.300 -0.052 0.000 1.148 223 P CA 1.156 64.230 63.100 -0.044 0.000 0.828 223 P CB 0.186 31.873 31.700 -0.021 0.000 0.783 224 V N -0.838 119.030 119.914 -0.078 0.000 2.484 224 V HA -0.131 3.989 4.120 0.000 0.000 0.236 224 V C 2.581 178.548 176.094 -0.211 0.000 1.062 224 V CA 2.270 64.510 62.300 -0.100 0.000 1.081 224 V CB -1.733 30.047 31.823 -0.070 0.000 0.751 224 V HN 0.169 nan 8.190 nan 0.000 0.484 225 T N -1.270 113.087 114.554 -0.329 0.000 2.803 225 T HA -0.297 4.053 4.350 0.000 0.000 0.269 225 T C 1.505 176.050 174.700 -0.260 0.000 1.052 225 T CA 1.801 63.645 62.100 -0.426 0.000 1.136 225 T CB -0.336 68.201 68.868 -0.552 0.000 0.864 225 T HN 0.510 nan 8.240 nan 0.000 0.467 226 Q N 1.565 121.247 119.800 -0.197 0.000 2.280 226 Q HA 0.230 4.570 4.340 0.000 0.000 0.201 226 Q C 0.662 176.618 176.000 -0.073 0.000 0.890 226 Q CA -0.227 55.500 55.803 -0.127 0.000 0.947 226 Q CB 0.407 29.071 28.738 -0.123 0.000 1.081 226 Q HN 0.743 nan 8.270 nan 0.000 0.502 227 S N -0.738 114.923 115.700 -0.064 0.000 2.603 227 S HA 0.089 4.559 4.470 0.000 0.000 0.268 227 S C 1.440 176.036 174.600 -0.007 0.000 1.317 227 S CA -0.398 57.785 58.200 -0.028 0.000 1.012 227 S CB 1.348 64.538 63.200 -0.017 0.000 0.926 227 S HN 0.145 nan 8.310 nan 0.000 0.539 228 V N -2.174 117.742 119.914 0.004 0.000 2.867 228 V HA 0.090 4.210 4.120 0.000 0.000 0.260 228 V C 0.494 176.606 176.094 0.030 0.000 1.099 228 V CA 1.837 64.146 62.300 0.014 0.000 1.122 228 V CB -1.120 30.711 31.823 0.013 0.000 0.708 228 V HN 0.928 nan 8.190 nan 0.000 0.490 229 D N 0.117 120.539 120.400 0.037 0.000 2.527 229 D HA 0.280 4.920 4.640 0.000 0.000 0.242 229 D C -1.796 174.552 176.300 0.079 0.000 1.285 229 D CA -1.563 52.473 54.000 0.060 0.000 0.886 229 D CB 1.559 42.391 40.800 0.052 0.000 1.402 229 D HN 0.120 nan 8.370 nan 0.000 0.528 230 P HA -0.207 nan 4.420 nan 0.000 0.216 230 P C 1.288 178.735 177.300 0.245 0.000 1.153 230 P CA 1.340 64.516 63.100 0.126 0.000 0.858 230 P CB 0.308 32.037 31.700 0.048 0.000 0.789 231 A N 0.112 123.088 122.820 0.260 0.000 1.883 231 A HA -0.255 4.065 4.320 0.000 0.000 0.217 231 A C 2.494 180.154 177.584 0.126 0.000 1.186 231 A CA 2.339 54.495 52.037 0.198 0.000 0.624 231 A CB -1.576 17.498 19.000 0.124 0.000 0.822 231 A HN 0.183 nan 8.150 nan 0.000 0.444 232 Q N -0.540 119.317 119.800 0.095 0.000 2.167 232 Q HA -0.083 4.257 4.340 0.000 0.000 0.202 232 Q C 1.923 177.961 176.000 0.064 0.000 0.970 232 Q CA 2.206 58.048 55.803 0.066 0.000 0.855 232 Q CB -0.678 28.090 28.738 0.050 0.000 0.911 232 Q HN 0.599 nan 8.270 nan 0.000 0.438 233 T N 0.773 115.371 114.554 0.073 0.000 2.777 233 T HA -0.087 4.263 4.350 0.000 0.000 0.266 233 T C 1.601 176.344 174.700 0.071 0.000 1.040 233 T CA 1.036 63.171 62.100 0.059 0.000 1.141 233 T CB -0.257 68.639 68.868 0.047 0.000 0.868 233 T HN 0.276 nan 8.240 nan 0.000 0.444 234 L N 0.770 122.057 121.223 0.108 0.000 2.017 234 L HA -0.120 4.220 4.340 0.000 0.000 0.208 234 L C 2.668 179.587 176.870 0.081 0.000 1.073 234 L CA 1.693 56.603 54.840 0.117 0.000 0.745 234 L CB -0.362 41.804 42.059 0.178 0.000 0.894 234 L HN 0.233 nan 8.230 nan 0.000 0.432 235 K N -0.271 120.172 120.400 0.072 0.000 2.032 235 K HA -0.231 4.089 4.320 0.000 0.000 0.209 235 K C 2.007 178.631 176.600 0.039 0.000 1.048 235 K CA 1.573 57.889 56.287 0.049 0.000 0.927 235 K CB -0.168 32.358 32.500 0.043 0.000 0.712 235 K HN 0.406 nan 8.250 nan 0.000 0.441 236 A N 1.536 124.379 122.820 0.040 0.000 1.859 236 A HA -0.205 4.115 4.320 0.000 0.000 0.217 236 A C 2.143 179.744 177.584 0.029 0.000 1.198 236 A CA 1.986 54.041 52.037 0.030 0.000 0.629 236 A CB -0.819 18.198 19.000 0.029 0.000 0.830 236 A HN 0.382 nan 8.150 nan 0.000 0.446 237 I N -0.200 120.391 120.570 0.035 0.000 2.091 237 I HA -0.335 3.835 4.170 0.000 0.000 0.239 237 I C 2.365 178.500 176.117 0.031 0.000 1.061 237 I CA 1.627 62.947 61.300 0.034 0.000 1.317 237 I CB -0.672 37.354 38.000 0.043 0.000 1.031 237 I HN 0.354 nan 8.210 nan 0.000 0.401 238 N N 0.996 119.718 118.700 0.036 0.000 2.094 238 N HA -0.203 4.537 4.740 0.000 0.000 0.191 238 N C 1.841 177.362 175.510 0.019 0.000 1.023 238 N CA 1.899 54.967 53.050 0.029 0.000 0.857 238 N CB -0.345 38.161 38.487 0.032 0.000 1.013 238 N HN 0.428 nan 8.380 nan 0.000 0.426 239 A N 0.350 123.181 122.820 0.019 0.000 1.933 239 A HA -0.071 4.249 4.320 0.000 0.000 0.218 239 A C 2.478 180.068 177.584 0.011 0.000 1.175 239 A CA 1.663 53.708 52.037 0.013 0.000 0.628 239 A CB -0.560 18.449 19.000 0.014 0.000 0.814 239 A HN 0.298 nan 8.150 nan 0.000 0.444 240 S N 0.129 115.838 115.700 0.013 0.000 2.382 240 S HA -0.043 4.427 4.470 0.000 0.000 0.228 240 S C 1.209 175.814 174.600 0.008 0.000 1.027 240 S CA 0.980 59.187 58.200 0.011 0.000 0.991 240 S CB -0.432 62.776 63.200 0.013 0.000 0.823 240 S HN 0.514 nan 8.310 nan 0.000 0.469 241 L N 1.604 122.833 121.223 0.009 0.000 2.933 241 L HA 0.145 4.485 4.340 0.000 0.000 0.258 241 L C 0.419 177.289 176.870 0.001 0.000 1.253 241 L CA 0.254 55.097 54.840 0.005 0.000 1.096 241 L CB -0.834 41.229 42.059 0.007 0.000 1.432 241 L HN 0.327 nan 8.230 nan 0.000 0.418 242 Q N 0.000 119.801 119.800 0.002 0.000 2.315 242 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 242 Q CA 0.000 55.803 55.803 -0.000 0.000 1.022 242 Q CB 0.000 28.738 28.738 0.000 0.000 1.108 242 Q HN 0.000 nan 8.270 nan 0.000 0.481