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 2xu7_1_B DATA FIRST_RESID 11 DATA SEQUENCE AVEERVINEE YKIWKKNTPF LYDLVMTHAL EWPSLTAQWL PDVTRPEGKD DATA SEQUENCE FSIHRLVLGT HTSDEQNHLV IASVQLPNXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXKIEIEIK INHEGEVNRA RYMPQNPCII ATKTPSSDVL VFDYTKHPSK DATA SEQUENCE PDPSGECNPD LRLRGHQKEG YGLSWNPNLS GHLLSASDDH TICLWDISAV DATA SEQUENCE PKEGKVVDAK TIFTGHTAVV EDVSWHLLHE SLFGSVADDQ KLMIWDTRSN DATA SEQUENCE NTSKPSHSVD AHTAEVNCLS FNPYSEFILA TGSADKTVAL WDLRNLKLKL DATA SEQUENCE HSFESHKDEI FQVQWSPHNE TILASSGTDR RLNVWDLSKI GEXXXXXXXX DATA SEQUENCE DGPPELLFIH GGHTAKISDF SWNPNEPWVI CSVSEDNIMQ VWQMAENIYN 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 11 A HA 0.000 nan 4.320 nan 0.000 0.244 11 A C 0.000 177.580 177.584 -0.007 0.000 1.274 11 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 11 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 12 V N 0.681 120.591 119.914 -0.007 0.000 2.720 12 V HA -0.100 4.038 4.120 0.031 0.000 0.256 12 V C 1.793 177.883 176.094 -0.007 0.000 1.082 12 V CA 2.942 65.237 62.300 -0.009 0.000 1.101 12 V CB -0.606 31.213 31.823 -0.008 0.000 0.693 12 V HN 0.561 nan 8.190 nan 0.000 0.479 13 E N 1.191 121.388 120.200 -0.005 0.000 2.510 13 E HA -0.108 4.261 4.350 0.031 0.000 0.202 13 E C 1.837 178.434 176.600 -0.004 0.000 1.072 13 E CA 0.849 57.248 56.400 -0.003 0.000 0.883 13 E CB -0.053 29.646 29.700 -0.001 0.000 0.818 13 E HN 0.887 nan 8.360 nan 0.000 0.548 14 E N 1.117 121.313 120.200 -0.007 0.000 2.453 14 E HA -0.198 4.171 4.350 0.031 0.000 0.207 14 E C 1.501 178.096 176.600 -0.009 0.000 1.212 14 E CA 1.029 57.423 56.400 -0.010 0.000 0.959 14 E CB -1.279 28.410 29.700 -0.017 0.000 0.957 14 E HN 0.482 nan 8.360 nan 0.000 0.540 15 R N -1.013 119.484 120.500 -0.004 0.000 2.276 15 R HA 0.096 4.454 4.340 0.031 0.000 0.203 15 R C 1.829 178.134 176.300 0.008 0.000 1.017 15 R CA 0.844 56.945 56.100 0.002 0.000 1.010 15 R CB -0.378 29.923 30.300 0.002 0.000 0.900 15 R HN 0.204 nan 8.270 nan 0.000 0.469 16 V N 1.983 121.900 119.914 0.005 0.000 2.233 16 V HA -0.279 3.859 4.120 0.031 0.000 0.247 16 V C 2.436 178.539 176.094 0.014 0.000 1.050 16 V CA 2.064 64.369 62.300 0.008 0.000 1.010 16 V CB -0.403 31.422 31.823 0.003 0.000 0.637 16 V HN 0.318 nan 8.190 nan 0.000 0.444 17 I N 0.290 120.864 120.570 0.007 0.000 2.208 17 I HA -0.323 3.865 4.170 0.031 0.000 0.245 17 I C 2.615 178.757 176.117 0.042 0.000 1.097 17 I CA 2.064 63.369 61.300 0.009 0.000 1.363 17 I CB -0.738 37.251 38.000 -0.018 0.000 1.051 17 I HN 0.377 nan 8.210 nan 0.000 0.413 18 N N 0.135 118.854 118.700 0.032 0.000 2.166 18 N HA -0.220 4.538 4.740 0.031 0.000 0.186 18 N C 1.809 177.387 175.510 0.112 0.000 1.019 18 N CA 1.533 54.621 53.050 0.063 0.000 0.856 18 N CB -0.241 38.262 38.487 0.026 0.000 0.993 18 N HN 0.400 nan 8.380 nan 0.000 0.426 19 E N 0.834 121.076 120.200 0.070 0.000 2.047 19 E HA -0.088 4.280 4.350 0.031 0.000 0.191 19 E C 2.027 178.669 176.600 0.069 0.000 0.987 19 E CA 1.549 57.985 56.400 0.059 0.000 0.799 19 E CB -0.395 29.323 29.700 0.031 0.000 0.752 19 E HN 0.606 nan 8.360 nan 0.000 0.449 20 E N -0.963 119.277 120.200 0.067 0.000 2.085 20 E HA -0.236 4.133 4.350 0.031 0.000 0.194 20 E C 1.939 178.611 176.600 0.120 0.000 0.994 20 E CA 1.272 57.711 56.400 0.065 0.000 0.801 20 E CB -0.342 29.378 29.700 0.034 0.000 0.743 20 E HN 0.322 nan 8.360 nan 0.000 0.453 21 Y N 1.851 122.166 120.300 0.026 0.000 2.128 21 Y HA -0.266 4.303 4.550 0.031 0.000 0.284 21 Y C 1.948 177.938 175.900 0.150 0.000 1.154 21 Y CA 1.815 59.961 58.100 0.076 0.000 1.149 21 Y CB 0.044 38.513 38.460 0.015 0.000 0.976 21 Y HN -0.140 nan 8.280 nan 0.000 0.505 22 K N -0.085 120.382 120.400 0.111 0.000 2.063 22 K HA -0.189 4.150 4.320 0.031 0.000 0.208 22 K C 2.039 178.613 176.600 -0.044 0.000 1.048 22 K CA 2.047 58.340 56.287 0.010 0.000 0.928 22 K CB -0.380 32.151 32.500 0.052 0.000 0.713 22 K HN 0.386 nan 8.250 nan 0.000 0.442 23 I N -0.427 120.140 120.570 -0.005 0.000 2.226 23 I HA -0.262 3.927 4.170 0.031 0.000 0.245 23 I C 2.373 178.463 176.117 -0.045 0.000 1.100 23 I CA 1.204 62.490 61.300 -0.022 0.000 1.374 23 I CB -0.342 37.658 38.000 0.000 0.000 1.057 23 I HN 0.342 nan 8.210 nan 0.000 0.413 24 W N 2.388 123.571 121.300 -0.195 0.000 2.355 24 W HA -0.218 4.460 4.660 0.030 0.000 0.309 24 W C 2.586 178.959 176.519 -0.245 0.000 1.206 24 W CA 1.603 58.816 57.345 -0.220 0.000 1.284 24 W CB -0.154 29.138 29.460 -0.280 0.000 1.145 24 W HN -0.125 nan 8.180 nan 0.000 0.502 25 K N 0.609 120.747 120.400 -0.436 0.000 2.009 25 K HA -0.289 4.050 4.320 0.031 0.000 0.210 25 K C 2.292 178.642 176.600 -0.417 0.000 1.049 25 K CA 2.056 58.003 56.287 -0.566 0.000 0.929 25 K CB -0.496 31.779 32.500 -0.376 0.000 0.714 25 K HN 0.075 nan 8.250 nan 0.000 0.440 26 K N 0.385 120.628 120.400 -0.261 0.000 2.113 26 K HA -0.160 4.179 4.320 0.031 0.000 0.208 26 K C 1.292 177.767 176.600 -0.208 0.000 1.047 26 K CA 1.654 57.831 56.287 -0.184 0.000 0.928 26 K CB 0.014 32.444 32.500 -0.117 0.000 0.716 26 K HN 0.151 nan 8.250 nan 0.000 0.446 27 N N 0.165 118.710 118.700 -0.258 0.000 2.398 27 N HA -0.059 4.700 4.740 0.031 0.000 0.188 27 N C 1.323 176.700 175.510 -0.222 0.000 1.122 27 N CA 1.123 54.047 53.050 -0.209 0.000 0.866 27 N CB 0.160 38.551 38.487 -0.160 0.000 0.970 27 N HN 0.402 nan 8.380 nan 0.000 0.462 28 T N -0.704 113.624 114.554 -0.376 0.000 2.759 28 T HA -0.064 4.305 4.350 0.031 0.000 0.269 28 T C -0.877 173.802 174.700 -0.034 0.000 1.042 28 T CA 0.781 62.736 62.100 -0.242 0.000 1.140 28 T CB -1.289 67.234 68.868 -0.574 0.000 0.864 28 T HN 0.101 nan 8.240 nan 0.000 0.455 29 P HA 0.109 nan 4.420 nan 0.000 0.220 29 P C 1.540 178.829 177.300 -0.019 0.000 1.148 29 P CA 1.470 64.548 63.100 -0.036 0.000 0.803 29 P CB -0.494 31.173 31.700 -0.055 0.000 0.782 30 F N -1.128 118.801 119.950 -0.035 0.000 2.473 30 F HA 0.213 4.758 4.527 0.031 0.000 0.294 30 F C 2.022 177.798 175.800 -0.040 0.000 1.103 30 F CA 0.521 58.497 58.000 -0.041 0.000 1.442 30 F CB -1.266 37.702 39.000 -0.054 0.000 1.097 30 F HN -0.151 nan 8.300 nan 0.000 0.547 31 L N -2.050 119.160 121.223 -0.021 0.000 2.556 31 L HA 0.222 4.580 4.340 0.031 0.000 0.226 31 L C -0.416 176.255 176.870 -0.332 0.000 1.089 31 L CA 0.233 55.003 54.840 -0.116 0.000 0.864 31 L CB 0.260 42.244 42.059 -0.126 0.000 1.067 31 L HN 0.393 nan 8.230 nan 0.000 0.477 32 Y N -1.527 118.804 120.300 0.051 0.000 2.536 32 Y HA 0.237 4.805 4.550 0.031 0.000 0.347 32 Y C 0.485 176.408 175.900 0.037 0.000 1.000 32 Y CA -0.943 57.205 58.100 0.081 0.000 1.051 32 Y CB 1.422 39.966 38.460 0.140 0.000 1.259 32 Y HN -0.206 nan 8.280 nan 0.000 0.468 33 D N 0.956 121.469 120.400 0.188 0.000 2.346 33 D HA 0.112 4.771 4.640 0.031 0.000 0.206 33 D C -0.746 175.650 176.300 0.160 0.000 1.001 33 D CA 0.919 54.993 54.000 0.124 0.000 0.871 33 D CB 0.603 41.449 40.800 0.076 0.000 0.943 33 D HN 0.255 nan 8.370 nan 0.000 0.518 34 L N -0.007 121.364 121.223 0.247 0.000 2.513 34 L HA 0.506 4.865 4.340 0.031 0.000 0.261 34 L C -1.910 175.114 176.870 0.257 0.000 0.945 34 L CA -0.845 54.120 54.840 0.209 0.000 0.848 34 L CB 2.471 44.636 42.059 0.176 0.000 1.334 34 L HN -0.274 nan 8.230 nan 0.000 0.407 35 V N 6.262 126.267 119.914 0.152 0.000 2.624 35 V HA 0.641 4.779 4.120 0.031 0.000 0.294 35 V C -1.385 174.779 176.094 0.117 0.000 1.077 35 V CA -0.200 62.165 62.300 0.109 0.000 0.905 35 V CB 1.750 33.479 31.823 -0.158 0.000 1.025 35 V HN 0.843 nan 8.190 nan 0.000 0.440 36 M N 5.147 124.846 119.600 0.165 0.000 2.393 36 M HA 0.624 5.122 4.480 0.031 0.000 0.316 36 M C -0.656 175.745 176.300 0.169 0.000 1.087 36 M CA -0.389 54.998 55.300 0.145 0.000 0.937 36 M CB 2.644 35.325 32.600 0.135 0.000 1.668 36 M HN 0.545 nan 8.290 nan 0.000 0.438 37 T N 0.852 115.497 114.554 0.152 0.000 2.879 37 T HA 0.438 4.807 4.350 0.031 0.000 0.290 37 T C -1.666 173.134 174.700 0.166 0.000 0.993 37 T CA -0.545 61.645 62.100 0.150 0.000 0.975 37 T CB 0.924 69.871 68.868 0.130 0.000 0.981 37 T HN 0.645 nan 8.240 nan 0.000 0.439 38 H N 1.464 120.569 119.070 0.057 0.000 2.667 38 H HA 0.682 5.256 4.556 0.031 0.000 0.353 38 H C -0.784 174.559 175.328 0.024 0.000 1.072 38 H CA -0.471 55.597 56.048 0.033 0.000 1.214 38 H CB 1.124 30.903 29.762 0.029 0.000 1.600 38 H HN 0.764 nan 8.280 nan 0.000 0.527 39 A N 6.432 128.980 122.820 -0.454 0.000 2.279 39 A HA 0.395 4.734 4.320 0.031 0.000 0.306 39 A C -0.443 176.884 177.584 -0.428 0.000 1.300 39 A CA -0.636 51.210 52.037 -0.318 0.000 0.925 39 A CB -0.296 18.569 19.000 -0.225 0.000 1.152 39 A HN 0.730 nan 8.150 nan 0.000 0.544 40 L N 1.793 122.916 121.223 -0.167 0.000 2.439 40 L HA 0.115 4.474 4.340 0.031 0.000 0.269 40 L C 1.886 178.695 176.870 -0.102 0.000 1.179 40 L CA -0.151 54.664 54.840 -0.042 0.000 0.828 40 L CB 0.641 42.754 42.059 0.090 0.000 1.106 40 L HN 1.004 nan 8.230 nan 0.000 0.467 41 E N 1.757 121.899 120.200 -0.097 0.000 2.097 41 E HA -0.174 4.195 4.350 0.031 0.000 0.196 41 E C -0.422 175.891 176.600 -0.479 0.000 1.000 41 E CA 1.509 57.744 56.400 -0.274 0.000 0.804 41 E CB 0.210 29.788 29.700 -0.203 0.000 0.740 41 E HN 0.499 nan 8.360 nan 0.000 0.454 42 W N -0.136 121.163 121.300 -0.002 0.000 2.864 42 W HA 0.383 5.061 4.660 0.030 0.000 0.343 42 W C -2.234 174.286 176.519 0.001 0.000 1.109 42 W CA -2.599 54.741 57.345 -0.008 0.000 1.192 42 W CB 1.101 30.566 29.460 0.009 0.000 1.426 42 W HN -0.130 nan 8.180 nan 0.000 0.529 43 P HA 0.006 nan 4.420 nan 0.000 0.269 43 P C -0.373 177.032 177.300 0.175 0.000 1.209 43 P CA 0.122 63.321 63.100 0.165 0.000 0.776 43 P CB 1.343 33.121 31.700 0.131 0.000 0.876 44 S N 1.613 117.383 115.700 0.116 0.000 2.480 44 S HA 0.282 4.771 4.470 0.031 0.000 0.286 44 S C 1.264 175.899 174.600 0.058 0.000 1.180 44 S CA -0.727 57.518 58.200 0.076 0.000 1.075 44 S CB -0.156 63.068 63.200 0.040 0.000 0.996 44 S HN 0.311 nan 8.310 nan 0.000 0.487 45 L N 3.457 124.701 121.223 0.035 0.000 2.554 45 L HA 0.188 4.546 4.340 0.031 0.000 0.226 45 L C 1.177 178.047 176.870 -0.001 0.000 1.137 45 L CA 0.379 55.224 54.840 0.007 0.000 0.863 45 L CB 0.093 42.137 42.059 -0.025 0.000 0.985 45 L HN 0.573 nan 8.230 nan 0.000 0.451 46 T N -0.484 114.066 114.554 -0.007 0.000 2.909 46 T HA 0.775 5.143 4.350 0.031 0.000 0.299 46 T C -1.616 173.068 174.700 -0.027 0.000 1.073 46 T CA -0.384 61.709 62.100 -0.012 0.000 0.999 46 T CB 1.899 70.756 68.868 -0.020 0.000 1.098 46 T HN 0.042 nan 8.240 nan 0.000 0.477 47 A N 3.223 126.022 122.820 -0.034 0.000 2.517 47 A HA 0.792 5.131 4.320 0.031 0.000 0.297 47 A C -1.232 176.311 177.584 -0.068 0.000 1.050 47 A CA -0.564 51.423 52.037 -0.082 0.000 0.694 47 A CB 1.942 20.877 19.000 -0.108 0.000 1.277 47 A HN 0.756 nan 8.150 nan 0.000 0.400 48 Q N 1.630 121.385 119.800 -0.075 0.000 2.313 48 Q HA 0.372 4.730 4.340 0.031 0.000 0.260 48 Q C -1.907 174.130 176.000 0.061 0.000 0.972 48 Q CA -0.441 55.392 55.803 0.050 0.000 0.886 48 Q CB 1.268 30.113 28.738 0.177 0.000 1.373 48 Q HN 0.755 nan 8.270 nan 0.000 0.416 49 W N 3.895 125.287 121.300 0.153 0.000 2.216 49 W HA 0.270 4.948 4.660 0.030 0.000 0.326 49 W C 0.208 176.785 176.519 0.097 0.000 1.319 49 W CA -0.219 57.198 57.345 0.120 0.000 1.213 49 W CB 0.407 29.948 29.460 0.135 0.000 1.171 49 W HN 0.476 nan 8.180 nan 0.000 0.557 50 L N 5.922 127.264 121.223 0.197 0.000 2.464 50 L HA 0.084 4.443 4.340 0.031 0.000 0.264 50 L C -0.713 176.114 176.870 -0.071 0.000 1.199 50 L CA -1.434 53.311 54.840 -0.160 0.000 0.818 50 L CB 0.514 42.474 42.059 -0.165 0.000 1.102 50 L HN 0.315 nan 8.230 nan 0.000 0.473 51 P HA -0.054 nan 4.420 nan 0.000 0.236 51 P C -0.497 176.787 177.300 -0.026 0.000 1.177 51 P CA 0.512 63.578 63.100 -0.055 0.000 0.773 51 P CB -0.032 31.632 31.700 -0.061 0.000 0.878 52 D N 0.505 120.878 120.400 -0.045 0.000 2.256 52 D HA 0.201 4.860 4.640 0.031 0.000 0.250 52 D C -0.471 175.779 176.300 -0.083 0.000 1.093 52 D CA -0.668 53.304 54.000 -0.046 0.000 0.882 52 D CB 2.560 43.340 40.800 -0.034 0.000 1.185 52 D HN -0.142 nan 8.370 nan 0.000 0.437 53 V N 1.558 121.389 119.914 -0.138 0.000 2.680 53 V HA 0.465 4.604 4.120 0.031 0.000 0.309 53 V C -0.796 175.184 176.094 -0.190 0.000 1.052 53 V CA -0.205 61.913 62.300 -0.302 0.000 0.908 53 V CB 2.110 33.687 31.823 -0.409 0.000 1.001 53 V HN 0.765 nan 8.190 nan 0.000 0.431 54 T N 6.898 121.343 114.554 -0.181 0.000 2.807 54 T HA 0.559 4.928 4.350 0.031 0.000 0.279 54 T C -0.480 174.168 174.700 -0.088 0.000 0.993 54 T CA -0.492 61.553 62.100 -0.091 0.000 0.970 54 T CB 0.965 69.812 68.868 -0.036 0.000 0.950 54 T HN 0.692 nan 8.240 nan 0.000 0.441 55 R N 3.032 123.482 120.500 -0.084 0.000 2.402 55 R HA 0.337 4.696 4.340 0.031 0.000 0.290 55 R C -2.705 173.522 176.300 -0.121 0.000 1.321 55 R CA -1.649 54.394 56.100 -0.096 0.000 1.283 55 R CB 0.558 30.814 30.300 -0.073 0.000 1.111 55 R HN 0.374 nan 8.270 nan 0.000 0.578 56 P HA 0.055 nan 4.420 nan 0.000 0.267 56 P C 0.042 177.238 177.300 -0.174 0.000 1.205 56 P CA 0.050 63.048 63.100 -0.170 0.000 0.765 56 P CB 0.617 32.187 31.700 -0.217 0.000 0.828 57 E N 1.586 121.720 120.200 -0.109 0.000 2.414 57 E HA 0.374 4.742 4.350 0.031 0.000 0.263 57 E C 1.406 177.947 176.600 -0.098 0.000 1.000 57 E CA 0.095 56.441 56.400 -0.090 0.000 0.914 57 E CB -0.653 29.013 29.700 -0.057 0.000 0.948 57 E HN 0.902 nan 8.360 nan 0.000 0.444 58 G N 1.403 110.149 108.800 -0.090 0.000 2.205 58 G HA2 -0.215 3.764 3.960 0.031 0.000 0.261 58 G HA3 -0.215 3.764 3.960 0.031 0.000 0.261 58 G C 0.531 175.362 174.900 -0.114 0.000 0.980 58 G CA 0.652 45.705 45.100 -0.079 0.000 0.632 58 G HN 0.637 nan 8.290 nan 0.000 0.533 59 K N 0.046 120.315 120.400 -0.217 0.000 2.139 59 K HA 0.620 4.958 4.320 0.031 0.000 0.243 59 K C 0.678 177.106 176.600 -0.286 0.000 0.983 59 K CA 0.111 56.188 56.287 -0.351 0.000 0.890 59 K CB 0.721 32.688 32.500 -0.889 0.000 1.090 59 K HN 0.334 nan 8.250 nan 0.000 0.445 60 D N 1.012 121.319 120.400 -0.156 0.000 2.325 60 D HA 0.210 4.869 4.640 0.031 0.000 0.225 60 D C 0.176 176.549 176.300 0.122 0.000 1.096 60 D CA 0.148 54.165 54.000 0.028 0.000 0.844 60 D CB -0.595 40.286 40.800 0.135 0.000 0.925 60 D HN 0.344 nan 8.370 nan 0.000 0.513 61 F N -1.899 118.074 119.950 0.039 0.000 2.645 61 F HA 0.673 5.219 4.527 0.030 0.000 0.310 61 F C -0.266 175.570 175.800 0.059 0.000 1.102 61 F CA -1.618 56.415 58.000 0.055 0.000 0.952 61 F CB 1.347 40.383 39.000 0.059 0.000 1.326 61 F HN -0.091 nan 8.300 nan 0.000 0.456 62 S N 1.201 117.108 115.700 0.345 0.000 2.621 62 S HA 0.858 5.346 4.470 0.031 0.000 0.302 62 S C -0.969 173.875 174.600 0.406 0.000 1.093 62 S CA -0.763 57.584 58.200 0.246 0.000 1.017 62 S CB 1.712 65.026 63.200 0.190 0.000 1.077 62 S HN 0.708 nan 8.310 nan 0.000 0.517 63 I N 2.630 123.315 120.570 0.192 0.000 2.378 63 I HA 0.462 4.650 4.170 0.031 0.000 0.291 63 I C 0.047 176.157 176.117 -0.012 0.000 0.992 63 I CA -0.562 60.859 61.300 0.202 0.000 1.154 63 I CB 1.067 39.178 38.000 0.186 0.000 1.315 63 I HN 0.648 nan 8.210 nan 0.000 0.448 64 H N 5.557 124.715 119.070 0.147 0.000 2.834 64 H HA 0.668 5.242 4.556 0.030 0.000 0.369 64 H C -0.775 174.699 175.328 0.244 0.000 1.174 64 H CA -1.122 55.036 56.048 0.184 0.000 1.165 64 H CB 2.521 32.385 29.762 0.170 0.000 1.820 64 H HN 0.426 nan 8.280 nan 0.000 0.558 65 R N 0.872 121.613 120.500 0.402 0.000 2.725 65 R HA 0.543 4.902 4.340 0.031 0.000 0.277 65 R C -1.224 175.193 176.300 0.196 0.000 0.987 65 R CA -0.845 55.381 56.100 0.211 0.000 0.901 65 R CB 2.463 32.802 30.300 0.066 0.000 1.207 65 R HN 0.337 nan 8.270 nan 0.000 0.463 66 L N 1.645 122.858 121.223 -0.018 0.000 2.381 66 L HA 0.530 4.889 4.340 0.031 0.000 0.268 66 L C -0.683 176.110 176.870 -0.129 0.000 0.997 66 L CA -1.191 53.552 54.840 -0.161 0.000 0.818 66 L CB 2.478 44.324 42.059 -0.354 0.000 1.310 66 L HN 0.271 nan 8.230 nan 0.000 0.416 67 V N 4.519 124.381 119.914 -0.086 0.000 2.432 67 V HA 0.469 4.608 4.120 0.031 0.000 0.275 67 V C 0.110 176.155 176.094 -0.081 0.000 1.043 67 V CA -0.174 62.089 62.300 -0.062 0.000 0.925 67 V CB 1.299 33.147 31.823 0.041 0.000 0.985 67 V HN 0.506 nan 8.190 nan 0.000 0.466 68 L N 3.616 124.785 121.223 -0.090 0.000 2.301 68 L HA 1.002 5.360 4.340 0.031 0.000 0.249 68 L C 0.399 177.221 176.870 -0.080 0.000 1.069 68 L CA -0.570 54.224 54.840 -0.076 0.000 0.865 68 L CB 2.354 44.373 42.059 -0.065 0.000 1.467 68 L HN 0.732 nan 8.230 nan 0.000 0.419 69 G N -0.884 107.878 108.800 -0.063 0.000 2.766 69 G HA2 0.683 4.662 3.960 0.031 0.000 0.288 69 G HA3 0.683 4.662 3.960 0.031 0.000 0.288 69 G C -1.247 173.640 174.900 -0.022 0.000 1.408 69 G CA -0.221 44.819 45.100 -0.100 0.000 0.852 69 G HN 0.580 nan 8.290 nan 0.000 0.487 70 T N -2.835 111.700 114.554 -0.030 0.000 2.940 70 T HA 0.694 5.062 4.350 0.031 0.000 0.288 70 T C -0.869 173.845 174.700 0.022 0.000 1.045 70 T CA -0.699 61.431 62.100 0.049 0.000 1.018 70 T CB 1.968 70.864 68.868 0.047 0.000 1.151 70 T HN 0.760 nan 8.240 nan 0.000 0.529 71 H N 0.562 119.582 119.070 -0.083 0.000 3.172 71 H HA 0.468 5.043 4.556 0.031 0.000 0.322 71 H C -0.739 174.429 175.328 -0.266 0.000 1.003 71 H CA -0.784 55.183 56.048 -0.135 0.000 1.466 71 H CB 1.222 30.961 29.762 -0.038 0.000 1.673 71 H HN 1.029 nan 8.280 nan 0.000 0.512 72 T N 1.455 115.742 114.554 -0.444 0.000 2.950 72 T HA 0.344 4.712 4.350 0.031 0.000 0.288 72 T C 0.075 174.404 174.700 -0.618 0.000 1.035 72 T CA -1.029 60.397 62.100 -1.123 0.000 1.028 72 T CB 1.794 69.735 68.868 -1.546 0.000 1.109 72 T HN 0.385 nan 8.240 nan 0.000 0.514 73 S N 1.902 117.280 115.700 -0.538 0.000 2.955 73 S HA 0.281 4.769 4.470 0.031 0.000 0.294 73 S C -0.480 174.034 174.600 -0.143 0.000 1.198 73 S CA -0.311 57.787 58.200 -0.169 0.000 1.008 73 S CB -0.938 62.296 63.200 0.056 0.000 1.279 73 S HN 0.784 nan 8.310 nan 0.000 0.508 74 D N 1.840 122.150 120.400 -0.150 0.000 2.705 74 D HA -0.149 4.509 4.640 0.031 0.000 0.240 74 D C -0.012 176.225 176.300 -0.105 0.000 1.137 74 D CA 1.177 55.120 54.000 -0.095 0.000 0.677 74 D CB -0.507 40.271 40.800 -0.036 0.000 1.049 74 D HN 0.583 nan 8.370 nan 0.000 0.427 75 E N -0.200 119.871 120.200 -0.214 0.000 2.446 75 E HA 0.431 4.800 4.350 0.031 0.000 0.276 75 E C -0.809 175.659 176.600 -0.220 0.000 0.969 75 E CA -0.746 55.553 56.400 -0.168 0.000 0.800 75 E CB 1.081 30.716 29.700 -0.108 0.000 1.341 75 E HN -0.045 nan 8.360 nan 0.000 0.460 76 Q N 1.606 121.333 119.800 -0.123 0.000 2.274 76 Q HA 0.172 4.531 4.340 0.031 0.000 0.280 76 Q C -0.726 175.088 176.000 -0.309 0.000 1.047 76 Q CA 0.585 56.282 55.803 -0.178 0.000 0.907 76 Q CB 0.255 28.938 28.738 -0.091 0.000 1.171 76 Q HN 0.411 nan 8.270 nan 0.000 0.381 77 N N 3.051 121.544 118.700 -0.345 0.000 2.495 77 N HA 0.306 5.065 4.740 0.031 0.000 0.280 77 N C -0.975 174.204 175.510 -0.552 0.000 1.168 77 N CA -0.374 52.473 53.050 -0.338 0.000 0.978 77 N CB 0.758 39.146 38.487 -0.165 0.000 1.191 77 N HN 0.612 nan 8.380 nan 0.000 0.497 78 H N -0.252 118.787 119.070 -0.051 0.000 2.851 78 H HA 0.326 4.900 4.556 0.031 0.000 0.372 78 H C -0.684 174.539 175.328 -0.174 0.000 1.158 78 H CA -0.768 55.237 56.048 -0.072 0.000 1.159 78 H CB 1.747 31.484 29.762 -0.041 0.000 1.757 78 H HN 0.275 nan 8.280 nan 0.000 0.546 79 L N 2.758 123.895 121.223 -0.142 0.000 2.331 79 L HA 0.444 4.803 4.340 0.031 0.000 0.278 79 L C -1.060 175.728 176.870 -0.136 0.000 1.106 79 L CA -0.102 54.593 54.840 -0.241 0.000 0.824 79 L CB 0.501 42.306 42.059 -0.422 0.000 1.142 79 L HN 0.470 nan 8.230 nan 0.000 0.443 80 V N 6.284 126.124 119.914 -0.123 0.000 2.588 80 V HA 0.483 4.621 4.120 0.031 0.000 0.304 80 V C -0.343 175.667 176.094 -0.140 0.000 1.042 80 V CA -0.675 61.565 62.300 -0.101 0.000 0.877 80 V CB 1.851 33.642 31.823 -0.054 0.000 0.996 80 V HN 0.521 nan 8.190 nan 0.000 0.425 81 I N 3.907 124.374 120.570 -0.172 0.000 2.339 81 I HA 0.723 4.911 4.170 0.031 0.000 0.290 81 I C 0.373 176.401 176.117 -0.148 0.000 0.994 81 I CA -0.387 60.786 61.300 -0.212 0.000 1.191 81 I CB 1.355 39.130 38.000 -0.376 0.000 1.343 81 I HN 0.714 nan 8.210 nan 0.000 0.458 82 A N 4.576 127.320 122.820 -0.127 0.000 2.337 82 A HA 0.712 5.050 4.320 0.031 0.000 0.329 82 A C -0.225 177.320 177.584 -0.066 0.000 1.146 82 A CA -0.502 51.472 52.037 -0.104 0.000 0.800 82 A CB 1.523 20.448 19.000 -0.125 0.000 1.220 82 A HN 0.618 nan 8.150 nan 0.000 0.472 83 S N 0.447 116.120 115.700 -0.044 0.000 2.509 83 S HA 0.693 5.182 4.470 0.031 0.000 0.297 83 S C -0.929 173.686 174.600 0.025 0.000 1.118 83 S CA -0.377 57.832 58.200 0.015 0.000 1.074 83 S CB 0.867 64.072 63.200 0.009 0.000 1.038 83 S HN 0.864 nan 8.310 nan 0.000 0.498 84 V N 4.981 124.967 119.914 0.120 0.000 2.623 84 V HA 0.417 4.555 4.120 0.031 0.000 0.304 84 V C -0.728 175.474 176.094 0.181 0.000 1.054 84 V CA -0.783 61.599 62.300 0.138 0.000 0.882 84 V CB 1.855 33.834 31.823 0.260 0.000 1.002 84 V HN 0.878 nan 8.190 nan 0.000 0.424 85 Q N 4.430 124.274 119.800 0.075 0.000 2.241 85 Q HA 0.738 5.096 4.340 0.031 0.000 0.254 85 Q C -1.274 174.791 176.000 0.109 0.000 0.917 85 Q CA -0.460 55.387 55.803 0.073 0.000 0.919 85 Q CB 2.437 31.010 28.738 -0.275 0.000 1.237 85 Q HN 0.576 nan 8.270 nan 0.000 0.434 86 L N 3.677 125.022 121.223 0.204 0.000 2.365 86 L HA 0.522 4.881 4.340 0.031 0.000 0.273 86 L C -2.382 174.606 176.870 0.198 0.000 1.000 86 L CA -2.504 52.418 54.840 0.136 0.000 0.819 86 L CB 1.870 43.940 42.059 0.018 0.000 1.284 86 L HN 0.356 nan 8.230 nan 0.000 0.418 87 P HA 0.080 nan 4.420 nan 0.000 0.269 87 P C -0.713 176.665 177.300 0.130 0.000 1.209 87 P CA -0.263 62.932 63.100 0.158 0.000 0.776 87 P CB 0.401 32.167 31.700 0.111 0.000 0.876 115 I N 1.733 122.235 120.570 -0.113 0.000 2.439 115 I HA 0.511 4.700 4.170 0.031 0.000 0.283 115 I C -0.173 175.802 176.117 -0.236 0.000 1.023 115 I CA -0.940 60.237 61.300 -0.205 0.000 1.100 115 I CB 2.116 39.901 38.000 -0.357 0.000 1.238 115 I HN 0.652 nan 8.210 nan 0.000 0.445 116 E N 6.974 127.082 120.200 -0.154 0.000 2.256 116 E HA 0.546 4.915 4.350 0.031 0.000 0.267 116 E C -0.815 175.726 176.600 -0.098 0.000 0.892 116 E CA -0.691 55.647 56.400 -0.103 0.000 0.775 116 E CB 2.302 31.965 29.700 -0.061 0.000 1.207 116 E HN 0.379 nan 8.360 nan 0.000 0.420 117 I N 3.643 124.170 120.570 -0.072 0.000 2.395 117 I HA 0.241 4.429 4.170 0.031 0.000 0.289 117 I C 1.603 177.687 176.117 -0.055 0.000 1.023 117 I CA 0.352 61.612 61.300 -0.066 0.000 1.350 117 I CB 1.015 38.984 38.000 -0.050 0.000 1.409 117 I HN 0.931 nan 8.210 nan 0.000 0.507 118 E N 6.944 127.106 120.200 -0.063 0.000 2.038 118 E HA 0.131 4.500 4.350 0.031 0.000 0.190 118 E C 0.152 176.727 176.600 -0.041 0.000 0.967 118 E CA 0.513 56.884 56.400 -0.047 0.000 0.816 118 E CB 0.683 30.346 29.700 -0.062 0.000 0.784 118 E HN 0.568 nan 8.360 nan 0.000 0.456 119 I N 0.331 120.861 120.570 -0.067 0.000 2.730 119 I HA 0.367 4.556 4.170 0.031 0.000 0.298 119 I C -1.504 174.568 176.117 -0.074 0.000 1.089 119 I CA -1.022 60.251 61.300 -0.045 0.000 1.041 119 I CB 1.947 39.953 38.000 0.009 0.000 1.235 119 I HN -0.027 nan 8.210 nan 0.000 0.423 120 K N 7.084 127.440 120.400 -0.073 0.000 2.376 120 K HA 0.610 4.949 4.320 0.031 0.000 0.257 120 K C -1.374 175.225 176.600 -0.001 0.000 0.939 120 K CA -0.483 55.744 56.287 -0.100 0.000 0.809 120 K CB 2.312 34.617 32.500 -0.326 0.000 1.121 120 K HN 0.432 nan 8.250 nan 0.000 0.425 121 I N 2.818 123.398 120.570 0.017 0.000 2.406 121 I HA 0.187 4.375 4.170 0.031 0.000 0.290 121 I C -0.305 175.836 176.117 0.040 0.000 0.999 121 I CA -1.095 60.191 61.300 -0.022 0.000 1.124 121 I CB 1.552 39.362 38.000 -0.317 0.000 1.289 121 I HN 0.494 nan 8.210 nan 0.000 0.441 122 N N 5.296 124.062 118.700 0.110 0.000 2.359 122 N HA -0.029 4.729 4.740 0.031 0.000 0.261 122 N C -0.517 174.979 175.510 -0.022 0.000 1.267 122 N CA 0.659 53.714 53.050 0.008 0.000 0.864 122 N CB 0.163 38.681 38.487 0.053 0.000 1.063 122 N HN 0.488 nan 8.380 nan 0.000 0.474 123 H N 0.877 119.830 119.070 -0.194 0.000 2.679 123 H HA 0.198 4.773 4.556 0.031 0.000 0.360 123 H C -1.007 174.257 175.328 -0.106 0.000 1.105 123 H CA -0.661 55.310 56.048 -0.127 0.000 1.196 123 H CB 1.577 31.224 29.762 -0.191 0.000 1.636 123 H HN 0.407 nan 8.280 nan 0.000 0.531 124 E N 2.890 122.889 120.200 -0.335 0.000 2.044 124 E HA 0.406 4.774 4.350 0.031 0.000 0.282 124 E C 0.273 176.804 176.600 -0.115 0.000 1.031 124 E CA 0.598 56.886 56.400 -0.186 0.000 0.824 124 E CB 0.034 29.634 29.700 -0.167 0.000 1.076 124 E HN 0.966 nan 8.360 nan 0.000 0.395 125 G N 3.775 112.551 108.800 -0.041 0.000 2.828 125 G HA2 -0.225 3.754 3.960 0.031 0.000 0.463 125 G HA3 -0.225 3.754 3.960 0.031 0.000 0.463 125 G C -0.447 174.496 174.900 0.073 0.000 1.394 125 G CA -0.272 44.822 45.100 -0.010 0.000 0.862 125 G HN 0.721 nan 8.290 nan 0.000 0.540 126 E N -0.821 119.373 120.200 -0.011 0.000 2.408 126 E HA 0.336 4.705 4.350 0.031 0.000 0.259 126 E C 0.216 176.764 176.600 -0.087 0.000 1.110 126 E CA -0.403 55.958 56.400 -0.065 0.000 0.929 126 E CB 1.070 30.683 29.700 -0.145 0.000 0.971 126 E HN 0.774 nan 8.360 nan 0.000 0.438 127 V N 3.543 123.314 119.914 -0.239 0.000 2.338 127 V HA -0.031 4.108 4.120 0.031 0.000 0.255 127 V C 1.057 177.034 176.094 -0.195 0.000 1.082 127 V CA -0.450 61.639 62.300 -0.352 0.000 0.951 127 V CB -0.127 31.404 31.823 -0.488 0.000 1.102 127 V HN 0.527 nan 8.190 nan 0.000 0.489 128 N N 3.431 122.022 118.700 -0.182 0.000 2.166 128 N HA -0.060 4.698 4.740 0.031 0.000 0.186 128 N C 0.863 176.335 175.510 -0.064 0.000 1.019 128 N CA 0.981 53.914 53.050 -0.196 0.000 0.856 128 N CB -0.000 38.171 38.487 -0.527 0.000 0.993 128 N HN 0.670 nan 8.380 nan 0.000 0.426 129 R N -0.875 119.581 120.500 -0.072 0.000 2.604 129 R HA 0.597 4.955 4.340 0.031 0.000 0.261 129 R C -2.126 174.168 176.300 -0.010 0.000 1.080 129 R CA -0.467 55.626 56.100 -0.011 0.000 0.917 129 R CB 1.318 31.631 30.300 0.022 0.000 1.252 129 R HN 0.014 nan 8.270 nan 0.000 0.456 130 A N 3.583 126.414 122.820 0.017 0.000 2.422 130 A HA 0.856 5.194 4.320 0.031 0.000 0.302 130 A C -1.337 176.326 177.584 0.132 0.000 1.041 130 A CA -0.833 51.245 52.037 0.068 0.000 0.708 130 A CB 1.704 20.719 19.000 0.025 0.000 1.257 130 A HN 0.531 nan 8.150 nan 0.000 0.414 131 R N 0.954 121.590 120.500 0.226 0.000 2.548 131 R HA 0.341 4.700 4.340 0.031 0.000 0.280 131 R C -1.508 175.075 176.300 0.471 0.000 1.061 131 R CA -0.425 55.847 56.100 0.287 0.000 0.915 131 R CB 1.328 31.772 30.300 0.240 0.000 1.210 131 R HN 0.879 nan 8.270 nan 0.000 0.442 132 Y N 0.119 120.609 120.300 0.316 0.000 2.316 132 Y HA 0.568 5.137 4.550 0.031 0.000 0.324 132 Y C 0.320 176.114 175.900 -0.177 0.000 1.267 132 Y CA -1.008 57.188 58.100 0.161 0.000 1.311 132 Y CB 0.899 39.422 38.460 0.106 0.000 1.267 132 Y HN 0.545 nan 8.280 nan 0.000 0.516 133 M N 5.519 124.779 119.600 -0.566 0.000 2.108 133 M HA 0.263 4.762 4.480 0.031 0.000 0.354 133 M C -1.849 174.256 176.300 -0.325 0.000 1.229 133 M CA -2.223 52.368 55.300 -1.180 0.000 1.081 133 M CB 1.429 33.129 32.600 -1.501 0.000 1.606 133 M HN 0.561 nan 8.290 nan 0.000 0.467 134 P HA -0.141 nan 4.420 nan 0.000 0.218 134 P C 0.315 177.615 177.300 0.001 0.000 1.148 134 P CA 1.456 64.578 63.100 0.036 0.000 0.822 134 P CB 0.129 31.816 31.700 -0.022 0.000 0.784 135 Q N -1.507 118.234 119.800 -0.098 0.000 2.432 135 Q HA 0.038 4.397 4.340 0.031 0.000 0.205 135 Q C 0.459 176.414 176.000 -0.074 0.000 0.945 135 Q CA 0.637 56.393 55.803 -0.078 0.000 0.924 135 Q CB -0.193 28.492 28.738 -0.090 0.000 1.016 135 Q HN 0.132 nan 8.270 nan 0.000 0.503 136 N N -0.528 118.114 118.700 -0.098 0.000 2.827 136 N HA 0.130 4.888 4.740 0.031 0.000 0.240 136 N C -2.645 172.834 175.510 -0.051 0.000 1.352 136 N CA -1.562 51.441 53.050 -0.078 0.000 0.760 136 N CB 1.169 39.599 38.487 -0.094 0.000 1.426 136 N HN -0.227 nan 8.380 nan 0.000 0.561 137 P HA 0.106 nan 4.420 nan 0.000 0.242 137 P C 0.780 178.149 177.300 0.115 0.000 1.197 137 P CA 0.227 63.376 63.100 0.083 0.000 0.765 137 P CB -0.115 31.549 31.700 -0.060 0.000 0.936 138 C N -0.437 118.862 119.300 -0.002 0.000 2.437 138 C HA 0.052 4.531 4.460 0.031 0.000 0.283 138 C C 1.209 176.207 174.990 0.013 0.000 1.424 138 C CA 0.099 58.999 59.018 -0.196 0.000 1.782 138 C CB -1.109 26.435 27.740 -0.327 0.000 1.833 138 C HN 0.131 nan 8.230 nan 0.000 0.532 139 I N 1.851 122.459 120.570 0.063 0.000 2.312 139 I HA 0.401 4.589 4.170 0.031 0.000 0.290 139 I C -0.113 176.131 176.117 0.212 0.000 1.008 139 I CA -0.743 60.611 61.300 0.090 0.000 1.226 139 I CB 0.213 38.166 38.000 -0.078 0.000 1.371 139 I HN 0.086 nan 8.210 nan 0.000 0.468 140 I N 5.266 126.061 120.570 0.374 0.000 2.436 140 I HA 0.553 4.741 4.170 0.031 0.000 0.289 140 I C 0.218 176.656 176.117 0.535 0.000 1.010 140 I CA -0.635 60.945 61.300 0.466 0.000 1.098 140 I CB 2.069 40.299 38.000 0.384 0.000 1.266 140 I HN 0.610 nan 8.210 nan 0.000 0.434 141 A N 4.224 127.397 122.820 0.588 0.000 2.303 141 A HA 0.858 5.196 4.320 0.031 0.000 0.317 141 A C -0.023 177.699 177.584 0.230 0.000 1.149 141 A CA -0.326 51.904 52.037 0.322 0.000 0.822 141 A CB 0.901 19.906 19.000 0.010 0.000 1.131 141 A HN 0.726 nan 8.150 nan 0.000 0.493 142 T N -0.343 114.330 114.554 0.197 0.000 2.903 142 T HA 0.650 5.019 4.350 0.031 0.000 0.299 142 T C -0.943 173.816 174.700 0.100 0.000 1.093 142 T CA -1.036 61.167 62.100 0.172 0.000 1.002 142 T CB 1.491 70.557 68.868 0.329 0.000 1.127 142 T HN 0.437 nan 8.240 nan 0.000 0.488 143 K N 2.446 122.865 120.400 0.032 0.000 2.185 143 K HA 0.563 4.902 4.320 0.031 0.000 0.269 143 K C 0.434 177.030 176.600 -0.007 0.000 0.987 143 K CA -0.480 55.785 56.287 -0.037 0.000 0.865 143 K CB 1.844 34.262 32.500 -0.137 0.000 1.090 143 K HN 0.995 nan 8.250 nan 0.000 0.450 144 T N -1.394 113.156 114.554 -0.007 0.000 2.938 144 T HA 0.453 4.821 4.350 0.031 0.000 0.285 144 T C -2.084 172.559 174.700 -0.095 0.000 1.028 144 T CA -1.930 60.182 62.100 0.020 0.000 1.005 144 T CB 1.622 70.483 68.868 -0.013 0.000 1.157 144 T HN 0.128 nan 8.240 nan 0.000 0.550 145 P HA 0.154 nan 4.420 nan 0.000 0.245 145 P C 0.401 177.651 177.300 -0.082 0.000 1.212 145 P CA 0.129 63.165 63.100 -0.107 0.000 0.774 145 P CB -0.087 31.563 31.700 -0.083 0.000 0.999 146 S N -1.596 114.062 115.700 -0.070 0.000 2.776 146 S HA 0.360 4.848 4.470 0.031 0.000 0.306 146 S C 1.392 175.967 174.600 -0.041 0.000 1.114 146 S CA 0.014 58.183 58.200 -0.052 0.000 0.973 146 S CB 0.734 63.905 63.200 -0.049 0.000 1.250 146 S HN -0.007 nan 8.310 nan 0.000 0.549 147 S N -0.326 115.367 115.700 -0.012 0.000 2.461 147 S HA 0.065 4.554 4.470 0.031 0.000 0.228 147 S C 0.026 174.665 174.600 0.065 0.000 1.005 147 S CA 0.250 58.473 58.200 0.039 0.000 0.942 147 S CB -0.762 62.480 63.200 0.070 0.000 0.776 147 S HN 0.698 nan 8.310 nan 0.000 0.514 148 D N 2.022 122.422 120.400 -0.001 0.000 2.382 148 D HA 0.362 5.021 4.640 0.031 0.000 0.245 148 D C -0.366 175.887 176.300 -0.079 0.000 1.120 148 D CA -0.031 53.941 54.000 -0.046 0.000 0.890 148 D CB 1.362 42.106 40.800 -0.093 0.000 1.201 148 D HN 0.026 nan 8.370 nan 0.000 0.433 149 V N 3.288 123.094 119.914 -0.179 0.000 2.481 149 V HA 0.331 4.469 4.120 0.031 0.000 0.286 149 V C 0.480 176.392 176.094 -0.304 0.000 1.042 149 V CA -0.716 61.438 62.300 -0.243 0.000 0.928 149 V CB 1.186 32.779 31.823 -0.382 0.000 0.986 149 V HN 0.284 nan 8.190 nan 0.000 0.462 150 L N 4.535 125.652 121.223 -0.176 0.000 2.334 150 L HA 0.728 5.087 4.340 0.031 0.000 0.272 150 L C -0.729 176.037 176.870 -0.172 0.000 1.020 150 L CA -0.891 53.817 54.840 -0.219 0.000 0.812 150 L CB 2.021 43.992 42.059 -0.146 0.000 1.264 150 L HN 0.320 nan 8.230 nan 0.000 0.439 151 V N 1.898 121.619 119.914 -0.322 0.000 2.531 151 V HA 0.475 4.614 4.120 0.031 0.000 0.301 151 V C -0.862 175.030 176.094 -0.335 0.000 1.034 151 V CA -0.428 61.796 62.300 -0.127 0.000 0.865 151 V CB 1.681 33.495 31.823 -0.015 0.000 0.995 151 V HN 0.378 nan 8.190 nan 0.000 0.424 152 F N 2.074 122.104 119.950 0.134 0.000 2.520 152 F HA 0.489 5.034 4.527 0.030 0.000 0.322 152 F C 0.112 176.011 175.800 0.166 0.000 1.103 152 F CA -0.856 57.229 58.000 0.140 0.000 0.926 152 F CB 1.669 40.694 39.000 0.042 0.000 1.154 152 F HN 0.423 nan 8.300 nan 0.000 0.453 153 D N 2.507 123.105 120.400 0.331 0.000 2.428 153 D HA 0.037 4.696 4.640 0.031 0.000 0.221 153 D C 0.735 177.191 176.300 0.261 0.000 1.123 153 D CA -0.445 53.669 54.000 0.190 0.000 0.869 153 D CB 0.413 41.260 40.800 0.077 0.000 1.032 153 D HN 0.536 nan 8.370 nan 0.000 0.506 154 Y N 1.847 122.282 120.300 0.225 0.000 2.403 154 Y HA -0.141 4.427 4.550 0.030 0.000 0.291 154 Y C 1.905 177.919 175.900 0.190 0.000 1.143 154 Y CA 1.446 59.660 58.100 0.190 0.000 1.257 154 Y CB -1.079 37.431 38.460 0.082 0.000 0.984 154 Y HN 0.291 nan 8.280 nan 0.000 0.550 155 T N -2.951 111.466 114.554 -0.229 0.000 3.085 155 T HA 0.029 4.397 4.350 0.031 0.000 0.263 155 T C 1.103 175.817 174.700 0.023 0.000 1.127 155 T CA 0.387 62.422 62.100 -0.109 0.000 1.103 155 T CB -0.177 68.553 68.868 -0.230 0.000 0.921 155 T HN 0.241 nan 8.240 nan 0.000 0.510 156 K N 0.955 121.405 120.400 0.084 0.000 2.437 156 K HA 0.261 4.600 4.320 0.031 0.000 0.205 156 K C -0.610 175.899 176.600 -0.151 0.000 1.026 156 K CA -0.057 56.223 56.287 -0.013 0.000 1.153 156 K CB 0.113 32.583 32.500 -0.051 0.000 0.863 156 K HN 0.562 nan 8.250 nan 0.000 0.502 157 H N 0.534 119.666 119.070 0.103 0.000 2.679 157 H HA 0.281 4.856 4.556 0.031 0.000 0.367 157 H C -2.207 173.176 175.328 0.093 0.000 1.162 157 H CA -1.631 54.487 56.048 0.118 0.000 1.181 157 H CB 1.246 31.106 29.762 0.163 0.000 1.693 157 H HN -0.063 nan 8.280 nan 0.000 0.538 158 P HA 0.005 nan 4.420 nan 0.000 0.268 158 P C 0.314 177.684 177.300 0.117 0.000 1.205 158 P CA 0.028 63.193 63.100 0.108 0.000 0.771 158 P CB 1.196 32.951 31.700 0.091 0.000 0.858 159 S N 1.185 116.936 115.700 0.084 0.000 2.378 159 S HA -0.153 4.335 4.470 0.031 0.000 0.229 159 S C 1.006 175.637 174.600 0.052 0.000 1.052 159 S CA 1.527 59.768 58.200 0.069 0.000 1.084 159 S CB -0.271 62.959 63.200 0.050 0.000 0.950 159 S HN 0.515 nan 8.310 nan 0.000 0.440 160 K N 1.405 121.833 120.400 0.047 0.000 2.156 160 K HA 0.430 4.768 4.320 0.031 0.000 0.254 160 K C -2.852 173.781 176.600 0.055 0.000 0.950 160 K CA -2.684 53.621 56.287 0.031 0.000 0.849 160 K CB 0.607 33.122 32.500 0.025 0.000 1.100 160 K HN 0.043 nan 8.250 nan 0.000 0.434 161 P HA 0.014 nan 4.420 nan 0.000 0.268 161 P C -0.420 176.949 177.300 0.116 0.000 1.205 161 P CA 0.053 63.223 63.100 0.116 0.000 0.771 161 P CB -0.179 31.627 31.700 0.176 0.000 0.858 162 D N 4.233 124.709 120.400 0.126 0.000 2.502 162 D HA 0.009 4.667 4.640 0.031 0.000 0.249 162 D C -1.067 175.287 176.300 0.090 0.000 1.188 162 D CA -0.939 53.121 54.000 0.099 0.000 0.890 162 D CB -0.740 40.121 40.800 0.101 0.000 1.140 162 D HN 0.319 nan 8.370 nan 0.000 0.505 163 P HA -0.210 nan 4.420 nan 0.000 0.222 163 P C 1.907 179.241 177.300 0.057 0.000 1.147 163 P CA 1.622 64.762 63.100 0.066 0.000 0.790 163 P CB 0.149 31.879 31.700 0.050 0.000 0.780 164 S N -0.129 115.601 115.700 0.051 0.000 2.400 164 S HA -0.161 4.328 4.470 0.031 0.000 0.234 164 S C 1.990 176.612 174.600 0.038 0.000 1.049 164 S CA 2.415 60.639 58.200 0.041 0.000 1.039 164 S CB -1.647 61.577 63.200 0.040 0.000 0.856 164 S HN 0.376 nan 8.310 nan 0.000 0.465 165 G N 1.164 109.993 108.800 0.048 0.000 2.268 165 G HA2 -0.325 3.654 3.960 0.031 0.000 0.240 165 G HA3 -0.325 3.654 3.960 0.031 0.000 0.240 165 G C -0.055 174.855 174.900 0.017 0.000 1.010 165 G CA 0.475 45.593 45.100 0.029 0.000 0.618 165 G HN 1.081 nan 8.290 nan 0.000 0.516 166 E N 0.760 120.978 120.200 0.030 0.000 2.392 166 E HA 0.324 4.692 4.350 0.031 0.000 0.264 166 E C 0.095 176.727 176.600 0.053 0.000 1.024 166 E CA -0.006 56.411 56.400 0.028 0.000 0.903 166 E CB 0.891 30.606 29.700 0.026 0.000 0.963 166 E HN 0.455 nan 8.360 nan 0.000 0.432 167 C N 4.341 123.665 119.300 0.041 0.000 2.307 167 C HA 0.359 4.837 4.460 0.031 0.000 0.340 167 C C -0.511 174.542 174.990 0.106 0.000 1.275 167 C CA -0.454 58.616 59.018 0.087 0.000 1.811 167 C CB -1.376 26.377 27.740 0.022 0.000 2.372 167 C HN 0.800 nan 8.230 nan 0.000 0.531 168 N N 6.424 125.248 118.700 0.207 0.000 2.841 168 N HA 0.316 5.075 4.740 0.031 0.000 0.257 168 N C -2.695 172.931 175.510 0.193 0.000 1.396 168 N CA -0.746 52.400 53.050 0.161 0.000 0.823 168 N CB 1.191 39.766 38.487 0.147 0.000 1.162 168 N HN 0.620 nan 8.380 nan 0.000 0.503 169 P HA 0.102 nan 4.420 nan 0.000 0.274 169 P C -0.144 176.996 177.300 -0.266 0.000 1.231 169 P CA -0.120 62.681 63.100 -0.498 0.000 0.790 169 P CB 1.671 32.906 31.700 -0.776 0.000 0.951 170 D N 0.434 120.672 120.400 -0.269 0.000 2.178 170 D HA 0.002 4.661 4.640 0.031 0.000 0.202 170 D C 0.598 176.810 176.300 -0.146 0.000 0.974 170 D CA 1.344 55.274 54.000 -0.116 0.000 0.841 170 D CB 0.309 41.096 40.800 -0.023 0.000 0.953 170 D HN 0.289 nan 8.370 nan 0.000 0.478 171 L N -0.029 121.060 121.223 -0.224 0.000 2.434 171 L HA 0.424 4.783 4.340 0.031 0.000 0.260 171 L C -0.512 176.200 176.870 -0.263 0.000 0.983 171 L CA -0.728 53.994 54.840 -0.197 0.000 0.820 171 L CB 2.934 44.895 42.059 -0.163 0.000 1.361 171 L HN -0.339 nan 8.230 nan 0.000 0.410 172 R N 3.134 123.498 120.500 -0.226 0.000 2.393 172 R HA 0.603 4.962 4.340 0.031 0.000 0.315 172 R C -1.294 174.839 176.300 -0.279 0.000 0.952 172 R CA -0.723 55.232 56.100 -0.242 0.000 0.842 172 R CB 1.880 32.080 30.300 -0.168 0.000 1.163 172 R HN 0.456 nan 8.270 nan 0.000 0.450 173 L N 4.037 124.994 121.223 -0.442 0.000 2.262 173 L HA 0.480 4.839 4.340 0.031 0.000 0.288 173 L C 0.344 177.041 176.870 -0.288 0.000 1.035 173 L CA -0.519 53.884 54.840 -0.728 0.000 0.820 173 L CB 1.077 42.061 42.059 -1.791 0.000 1.204 173 L HN 0.411 nan 8.230 nan 0.000 0.424 174 R N 1.805 122.356 120.500 0.085 0.000 2.540 174 R HA 0.711 5.070 4.340 0.031 0.000 0.287 174 R C 0.567 177.062 176.300 0.324 0.000 0.980 174 R CA 0.517 56.722 56.100 0.175 0.000 0.966 174 R CB 1.602 31.947 30.300 0.076 0.000 1.106 174 R HN 0.767 nan 8.270 nan 0.000 0.480 175 G N 1.683 110.570 108.800 0.146 0.000 3.768 175 G HA2 -0.098 3.880 3.960 0.031 0.000 0.214 175 G HA3 -0.098 3.880 3.960 0.031 0.000 0.214 175 G C -0.466 174.378 174.900 -0.095 0.000 1.058 175 G CA -0.553 44.523 45.100 -0.041 0.000 0.890 175 G HN 0.573 nan 8.290 nan 0.000 0.393 176 H N 1.000 120.138 119.070 0.114 0.000 2.607 176 H HA 0.450 5.024 4.556 0.030 0.000 0.367 176 H C 0.760 176.103 175.328 0.024 0.000 1.181 176 H CA 0.487 56.568 56.048 0.056 0.000 1.402 176 H CB 1.205 31.014 29.762 0.078 0.000 1.474 176 H HN 0.349 nan 8.280 nan 0.000 0.596 177 Q N 0.576 120.468 119.800 0.153 0.000 2.217 177 Q HA 0.222 4.580 4.340 0.031 0.000 0.217 177 Q C -0.191 175.830 176.000 0.035 0.000 0.844 177 Q CA 0.316 56.157 55.803 0.063 0.000 0.957 177 Q CB 1.109 29.862 28.738 0.024 0.000 1.127 177 Q HN 0.418 nan 8.270 nan 0.000 0.503 178 K N 0.715 121.135 120.400 0.033 0.000 2.555 178 K HA 0.154 4.493 4.320 0.031 0.000 0.279 178 K C -1.040 175.517 176.600 -0.073 0.000 0.986 178 K CA -0.666 55.609 56.287 -0.019 0.000 0.880 178 K CB 2.250 34.736 32.500 -0.024 0.000 1.474 178 K HN 0.055 nan 8.250 nan 0.000 0.433 179 E N 0.194 120.337 120.200 -0.095 0.000 2.425 179 E HA 0.387 4.756 4.350 0.031 0.000 0.258 179 E C -0.040 176.422 176.600 -0.231 0.000 1.151 179 E CA -0.378 55.919 56.400 -0.172 0.000 0.958 179 E CB 0.634 30.222 29.700 -0.187 0.000 0.968 179 E HN 0.629 nan 8.360 nan 0.000 0.451 180 G N -0.033 108.564 108.800 -0.339 0.000 2.682 180 G HA2 0.360 4.339 3.960 0.031 0.000 0.303 180 G HA3 0.360 4.339 3.960 0.031 0.000 0.303 180 G C -1.105 173.470 174.900 -0.541 0.000 1.341 180 G CA -0.570 44.349 45.100 -0.302 0.000 0.784 180 G HN 0.589 nan 8.290 nan 0.000 0.497 181 Y N -0.041 120.212 120.300 -0.079 0.000 2.673 181 Y HA 0.364 4.932 4.550 0.030 0.000 0.278 181 Y C 2.149 178.026 175.900 -0.038 0.000 1.127 181 Y CA 0.374 58.438 58.100 -0.059 0.000 1.261 181 Y CB 0.185 38.611 38.460 -0.056 0.000 1.412 181 Y HN 0.672 nan 8.280 nan 0.000 0.496 182 G N 1.620 110.487 108.800 0.113 0.000 2.380 182 G HA2 0.364 4.342 3.960 0.031 0.000 0.242 182 G HA3 0.364 4.342 3.960 0.031 0.000 0.242 182 G C -1.297 173.620 174.900 0.028 0.000 1.298 182 G CA 0.162 45.304 45.100 0.070 0.000 0.878 182 G HN 0.102 nan 8.290 nan 0.000 0.542 183 L N 1.595 122.829 121.223 0.017 0.000 2.543 183 L HA 0.683 5.041 4.340 0.031 0.000 0.265 183 L C -0.517 176.339 176.870 -0.023 0.000 0.945 183 L CA -0.438 54.384 54.840 -0.029 0.000 0.869 183 L CB 2.401 44.438 42.059 -0.037 0.000 1.294 183 L HN 0.561 nan 8.230 nan 0.000 0.405 184 S N 3.913 119.583 115.700 -0.050 0.000 2.614 184 S HA 0.622 5.110 4.470 0.031 0.000 0.275 184 S C -1.788 172.977 174.600 0.274 0.000 1.161 184 S CA -0.415 57.855 58.200 0.116 0.000 0.969 184 S CB 0.553 63.843 63.200 0.150 0.000 1.059 184 S HN 0.508 nan 8.310 nan 0.000 0.482 185 W N 3.569 125.036 121.300 0.279 0.000 2.315 185 W HA 0.421 5.097 4.660 0.028 0.000 0.316 185 W C 0.801 177.336 176.519 0.028 0.000 1.211 185 W CA -0.496 56.968 57.345 0.198 0.000 1.201 185 W CB 0.603 30.085 29.460 0.036 0.000 1.184 185 W HN 0.588 nan 8.180 nan 0.000 0.544 186 N N 4.997 123.609 118.700 -0.148 0.000 2.431 186 N HA 0.060 4.818 4.740 0.031 0.000 0.265 186 N C -1.359 173.961 175.510 -0.316 0.000 1.184 186 N CA -1.316 51.206 53.050 -0.880 0.000 0.943 186 N CB 1.230 38.815 38.487 -1.503 0.000 1.080 186 N HN 0.146 nan 8.380 nan 0.000 0.477 187 P HA 0.032 nan 4.420 nan 0.000 0.242 187 P C -0.018 177.189 177.300 -0.155 0.000 1.197 187 P CA 0.721 63.746 63.100 -0.124 0.000 0.765 187 P CB 0.532 32.188 31.700 -0.073 0.000 0.936 188 N N -0.727 117.837 118.700 -0.226 0.000 2.171 188 N HA 0.200 4.959 4.740 0.031 0.000 0.212 188 N C 0.047 175.414 175.510 -0.239 0.000 1.184 188 N CA 0.153 53.084 53.050 -0.198 0.000 0.888 188 N CB 1.155 39.536 38.487 -0.177 0.000 1.038 188 N HN 0.212 nan 8.380 nan 0.000 0.517 189 L N 0.806 121.835 121.223 -0.323 0.000 2.491 189 L HA 0.245 4.604 4.340 0.031 0.000 0.267 189 L C -0.171 176.584 176.870 -0.191 0.000 0.971 189 L CA -0.400 54.226 54.840 -0.357 0.000 0.857 189 L CB 2.364 43.964 42.059 -0.764 0.000 1.226 189 L HN -0.165 nan 8.230 nan 0.000 0.408 190 S N 1.712 117.377 115.700 -0.059 0.000 2.537 190 S HA 0.368 4.856 4.470 0.031 0.000 0.286 190 S C 1.216 175.932 174.600 0.195 0.000 1.299 190 S CA 1.112 59.327 58.200 0.025 0.000 1.067 190 S CB 0.506 63.703 63.200 -0.005 0.000 0.864 190 S HN 1.038 nan 8.310 nan 0.000 0.494 191 G N 3.718 112.657 108.800 0.231 0.000 2.179 191 G HA2 -0.199 3.779 3.960 0.031 0.000 0.260 191 G HA3 -0.199 3.779 3.960 0.031 0.000 0.260 191 G C 0.030 175.226 174.900 0.494 0.000 0.977 191 G CA 0.280 45.613 45.100 0.389 0.000 0.641 191 G HN 0.873 nan 8.290 nan 0.000 0.533 192 H N -0.451 118.782 119.070 0.271 0.000 2.782 192 H HA 0.445 5.020 4.556 0.033 0.000 0.285 192 H C -0.439 175.120 175.328 0.385 0.000 1.093 192 H CA -0.303 55.897 56.048 0.252 0.000 1.410 192 H CB 1.510 31.300 29.762 0.047 0.000 1.439 192 H HN 0.213 nan 8.280 nan 0.000 0.469 193 L N 5.396 126.858 121.223 0.399 0.000 2.333 193 L HA 0.350 4.709 4.340 0.031 0.000 0.280 193 L C -1.256 175.758 176.870 0.240 0.000 1.004 193 L CA -0.484 54.443 54.840 0.146 0.000 0.820 193 L CB 1.227 43.102 42.059 -0.306 0.000 1.247 193 L HN 0.466 nan 8.230 nan 0.000 0.416 194 L N 3.683 124.971 121.223 0.109 0.000 2.334 194 L HA 0.737 5.096 4.340 0.031 0.000 0.275 194 L C -0.001 176.844 176.870 -0.041 0.000 1.036 194 L CA -0.389 54.349 54.840 -0.170 0.000 0.807 194 L CB 1.867 43.513 42.059 -0.689 0.000 1.231 194 L HN 0.723 nan 8.230 nan 0.000 0.438 195 S N 1.462 117.188 115.700 0.043 0.000 2.540 195 S HA 0.837 5.326 4.470 0.031 0.000 0.275 195 S C -1.086 173.621 174.600 0.179 0.000 1.123 195 S CA -0.493 57.827 58.200 0.200 0.000 0.907 195 S CB 1.776 65.316 63.200 0.568 0.000 1.081 195 S HN 0.705 nan 8.310 nan 0.000 0.476 196 A N 2.467 125.328 122.820 0.067 0.000 2.324 196 A HA 0.853 5.192 4.320 0.031 0.000 0.330 196 A C -0.064 177.423 177.584 -0.162 0.000 1.165 196 A CA -0.607 51.438 52.037 0.013 0.000 0.813 196 A CB 1.492 20.508 19.000 0.027 0.000 1.197 196 A HN 0.990 nan 8.150 nan 0.000 0.484 197 S N 0.221 115.795 115.700 -0.210 0.000 2.568 197 S HA 0.438 4.926 4.470 0.031 0.000 0.293 197 S C -0.146 174.419 174.600 -0.059 0.000 1.089 197 S CA -0.536 57.466 58.200 -0.330 0.000 0.945 197 S CB 1.300 64.044 63.200 -0.760 0.000 1.077 197 S HN 0.569 nan 8.310 nan 0.000 0.485 198 D N 1.533 121.915 120.400 -0.030 0.000 2.389 198 D HA -0.048 4.610 4.640 0.031 0.000 0.221 198 D C 0.918 177.295 176.300 0.128 0.000 0.974 198 D CA 1.036 55.079 54.000 0.072 0.000 0.923 198 D CB -0.132 40.701 40.800 0.054 0.000 0.892 198 D HN 0.731 nan 8.370 nan 0.000 0.518 199 D N -1.332 119.103 120.400 0.058 0.000 2.319 199 D HA -0.085 4.573 4.640 0.031 0.000 0.230 199 D C 0.002 176.345 176.300 0.071 0.000 1.094 199 D CA -0.054 53.950 54.000 0.006 0.000 0.856 199 D CB -0.760 40.048 40.800 0.015 0.000 0.915 199 D HN 0.398 nan 8.370 nan 0.000 0.517 200 H N -2.152 116.954 119.070 0.059 0.000 3.433 200 H HA -0.151 4.424 4.556 0.031 0.000 0.197 200 H C -0.208 175.206 175.328 0.143 0.000 1.059 200 H CA 0.629 56.736 56.048 0.098 0.000 1.185 200 H CB -2.107 27.718 29.762 0.104 0.000 1.106 200 H HN 0.493 nan 8.280 nan 0.000 0.329 201 T N -0.851 113.849 114.554 0.242 0.000 2.924 201 T HA 0.731 5.099 4.350 0.031 0.000 0.291 201 T C -0.077 174.757 174.700 0.222 0.000 1.045 201 T CA -0.933 61.290 62.100 0.205 0.000 1.015 201 T CB 2.784 71.738 68.868 0.143 0.000 1.103 201 T HN 0.217 nan 8.240 nan 0.000 0.496 202 I N 1.184 121.842 120.570 0.146 0.000 2.378 202 I HA 0.450 4.638 4.170 0.031 0.000 0.291 202 I C -0.174 175.924 176.117 -0.032 0.000 0.992 202 I CA -0.650 60.707 61.300 0.096 0.000 1.154 202 I CB 1.497 39.480 38.000 -0.027 0.000 1.315 202 I HN 0.714 nan 8.210 nan 0.000 0.448 203 C N 6.077 125.249 119.300 -0.213 0.000 2.366 203 C HA 0.690 5.169 4.460 0.031 0.000 0.345 203 C C -0.280 174.272 174.990 -0.731 0.000 1.209 203 C CA -0.500 58.095 59.018 -0.705 0.000 2.050 203 C CB 1.282 28.201 27.740 -1.369 0.000 2.359 203 C HN 0.579 nan 8.230 nan 0.000 0.527 204 L N 3.769 124.537 121.223 -0.757 0.000 2.362 204 L HA 0.700 5.058 4.340 0.031 0.000 0.275 204 L C -1.307 175.213 176.870 -0.583 0.000 0.998 204 L CA -0.268 54.311 54.840 -0.435 0.000 0.820 204 L CB 0.725 42.749 42.059 -0.059 0.000 1.270 204 L HN 0.702 nan 8.230 nan 0.000 0.415 205 W N 3.097 124.361 121.300 -0.061 0.000 2.736 205 W HA 0.329 5.007 4.660 0.030 0.000 0.335 205 W C -0.887 175.570 176.519 -0.103 0.000 1.059 205 W CA -0.705 56.589 57.345 -0.085 0.000 1.226 205 W CB 2.110 31.517 29.460 -0.088 0.000 1.416 205 W HN 0.481 nan 8.180 nan 0.000 0.505 206 D N 2.922 123.344 120.400 0.036 0.000 2.460 206 D HA 0.233 4.891 4.640 0.031 0.000 0.232 206 D C 0.514 176.823 176.300 0.014 0.000 1.079 206 D CA -0.424 53.471 54.000 -0.174 0.000 0.864 206 D CB 0.579 41.080 40.800 -0.499 0.000 1.048 206 D HN 0.355 nan 8.370 nan 0.000 0.523 207 I N 1.068 121.704 120.570 0.110 0.000 3.812 207 I HA 0.115 4.304 4.170 0.031 0.000 0.320 207 I C 1.421 177.593 176.117 0.092 0.000 1.276 207 I CA -0.157 61.211 61.300 0.113 0.000 1.164 207 I CB 0.014 38.109 38.000 0.158 0.000 1.009 207 I HN 0.184 nan 8.210 nan 0.000 0.431 208 S N 1.964 117.717 115.700 0.089 0.000 2.399 208 S HA -0.003 4.485 4.470 0.031 0.000 0.231 208 S C 1.681 176.311 174.600 0.049 0.000 1.022 208 S CA 0.845 59.094 58.200 0.082 0.000 0.983 208 S CB -0.341 62.926 63.200 0.110 0.000 0.803 208 S HN 0.601 nan 8.310 nan 0.000 0.480 209 A N 0.622 123.466 122.820 0.040 0.000 2.594 209 A HA 0.654 4.993 4.320 0.031 0.000 0.287 209 A C 0.013 177.609 177.584 0.020 0.000 1.227 209 A CA -0.474 51.579 52.037 0.027 0.000 0.952 209 A CB 0.429 19.445 19.000 0.026 0.000 1.161 209 A HN 0.297 nan 8.150 nan 0.000 0.524 210 V N 1.784 121.711 119.914 0.023 0.000 2.370 210 V HA 0.289 4.427 4.120 0.031 0.000 0.279 210 V C -2.422 173.676 176.094 0.006 0.000 1.029 210 V CA -1.795 60.514 62.300 0.015 0.000 0.870 210 V CB 0.984 32.817 31.823 0.018 0.000 0.984 210 V HN 0.301 nan 8.190 nan 0.000 0.451 211 P HA 0.075 nan 4.420 nan 0.000 0.261 211 P C -0.309 176.982 177.300 -0.016 0.000 1.183 211 P CA 0.063 63.158 63.100 -0.008 0.000 0.761 211 P CB 0.214 31.909 31.700 -0.010 0.000 0.785 212 K N 3.290 123.679 120.400 -0.018 0.000 2.127 212 K HA 0.062 4.401 4.320 0.031 0.000 0.261 212 K C 0.287 176.866 176.600 -0.035 0.000 1.129 212 K CA 0.237 56.506 56.287 -0.030 0.000 0.993 212 K CB 0.127 32.613 32.500 -0.023 0.000 1.410 212 K HN 0.464 nan 8.250 nan 0.000 0.380 213 E N 0.760 120.936 120.200 -0.039 0.000 2.496 213 E HA 0.072 4.441 4.350 0.031 0.000 0.200 213 E C 0.839 177.411 176.600 -0.046 0.000 1.016 213 E CA -0.240 56.138 56.400 -0.038 0.000 0.962 213 E CB 0.632 30.314 29.700 -0.030 0.000 1.071 213 E HN 0.842 nan 8.360 nan 0.000 0.457 214 G N 0.761 109.524 108.800 -0.062 0.000 2.180 214 G HA2 -0.396 3.582 3.960 0.031 0.000 0.263 214 G HA3 -0.396 3.582 3.960 0.031 0.000 0.263 214 G C 0.461 175.316 174.900 -0.074 0.000 0.989 214 G CA 0.984 46.039 45.100 -0.075 0.000 0.692 214 G HN 0.461 nan 8.290 nan 0.000 0.526 215 K N -0.436 119.925 120.400 -0.065 0.000 2.210 215 K HA 0.889 5.228 4.320 0.031 0.000 0.236 215 K C 0.542 177.101 176.600 -0.069 0.000 1.016 215 K CA 0.019 56.271 56.287 -0.058 0.000 0.913 215 K CB 0.963 33.439 32.500 -0.040 0.000 1.141 215 K HN 0.964 nan 8.250 nan 0.000 0.462 216 V N 1.331 121.212 119.914 -0.055 0.000 2.572 216 V HA 0.325 4.464 4.120 0.031 0.000 0.291 216 V C -0.163 175.912 176.094 -0.032 0.000 1.039 216 V CA -0.587 61.681 62.300 -0.053 0.000 1.055 216 V CB 1.037 32.840 31.823 -0.033 0.000 0.969 216 V HN 0.508 nan 8.190 nan 0.000 0.482 217 V N 4.192 124.088 119.914 -0.030 0.000 2.487 217 V HA 0.389 4.528 4.120 0.031 0.000 0.298 217 V C -0.310 175.874 176.094 0.150 0.000 1.028 217 V CA -0.854 61.464 62.300 0.031 0.000 0.860 217 V CB 1.839 33.662 31.823 -0.001 0.000 0.991 217 V HN 0.820 nan 8.190 nan 0.000 0.427 218 D N 3.068 123.555 120.400 0.145 0.000 2.302 218 D HA 0.472 5.130 4.640 0.031 0.000 0.248 218 D C 0.421 176.804 176.300 0.139 0.000 1.094 218 D CA 0.051 54.138 54.000 0.145 0.000 0.897 218 D CB 2.076 42.896 40.800 0.034 0.000 1.200 218 D HN 0.739 nan 8.370 nan 0.000 0.429 219 A N 2.103 124.889 122.820 -0.056 0.000 2.540 219 A HA -0.064 4.275 4.320 0.031 0.000 0.239 219 A C 1.463 178.826 177.584 -0.368 0.000 1.061 219 A CA 0.131 51.797 52.037 -0.618 0.000 0.758 219 A CB 0.260 18.768 19.000 -0.821 0.000 0.991 219 A HN 0.678 nan 8.150 nan 0.000 0.502 220 K N 0.843 121.018 120.400 -0.376 0.000 2.057 220 K HA -0.032 4.307 4.320 0.031 0.000 0.206 220 K C -0.151 176.278 176.600 -0.286 0.000 1.050 220 K CA 1.765 57.912 56.287 -0.233 0.000 0.935 220 K CB 0.047 32.454 32.500 -0.154 0.000 0.715 220 K HN 0.717 nan 8.250 nan 0.000 0.439 221 T N 0.390 114.691 114.554 -0.421 0.000 2.923 221 T HA 0.462 4.831 4.350 0.031 0.000 0.311 221 T C -0.946 173.329 174.700 -0.708 0.000 1.183 221 T CA -0.729 61.043 62.100 -0.548 0.000 1.020 221 T CB 1.900 70.392 68.868 -0.626 0.000 1.165 221 T HN 0.047 nan 8.240 nan 0.000 0.482 222 I N 2.540 122.685 120.570 -0.709 0.000 2.418 222 I HA 0.481 4.669 4.170 0.031 0.000 0.287 222 I C -1.164 174.576 176.117 -0.629 0.000 1.008 222 I CA -0.817 60.141 61.300 -0.571 0.000 1.104 222 I CB 1.333 39.123 38.000 -0.351 0.000 1.264 222 I HN 0.515 nan 8.210 nan 0.000 0.438 223 F N 3.194 122.965 119.950 -0.298 0.000 2.420 223 F HA 0.371 4.919 4.527 0.034 0.000 0.342 223 F C 1.156 176.824 175.800 -0.220 0.000 1.113 223 F CA -0.545 57.212 58.000 -0.405 0.000 1.059 223 F CB 1.744 40.188 39.000 -0.927 0.000 1.128 223 F HN 0.444 nan 8.300 nan 0.000 0.475 224 T N -2.248 112.365 114.554 0.098 0.000 3.337 224 T HA 0.238 4.607 4.350 0.031 0.000 0.299 224 T C 1.394 176.248 174.700 0.255 0.000 0.998 224 T CA 0.126 62.321 62.100 0.157 0.000 0.948 224 T CB 0.115 69.036 68.868 0.088 0.000 1.170 224 T HN 0.672 nan 8.240 nan 0.000 0.508 225 G N 1.015 110.074 108.800 0.432 0.000 2.402 225 G HA2 -0.029 3.950 3.960 0.031 0.000 0.216 225 G HA3 -0.029 3.950 3.960 0.031 0.000 0.216 225 G C 0.694 175.683 174.900 0.149 0.000 1.162 225 G CA 0.223 45.536 45.100 0.357 0.000 0.777 225 G HN 0.592 nan 8.290 nan 0.000 0.539 226 H N 0.167 119.409 119.070 0.288 0.000 2.757 226 H HA 0.170 4.743 4.556 0.030 0.000 0.370 226 H C 1.006 176.391 175.328 0.096 0.000 1.172 226 H CA 1.327 57.467 56.048 0.154 0.000 1.426 226 H CB 1.017 30.861 29.762 0.138 0.000 1.438 226 H HN 0.200 nan 8.280 nan 0.000 0.612 227 T N -1.239 113.403 114.554 0.147 0.000 3.228 227 T HA 0.633 5.001 4.350 0.031 0.000 0.278 227 T C 0.274 174.808 174.700 -0.277 0.000 1.014 227 T CA -0.099 62.026 62.100 0.042 0.000 0.904 227 T CB 0.059 68.962 68.868 0.059 0.000 1.110 227 T HN 0.710 nan 8.240 nan 0.000 0.541 228 A N 0.242 122.741 122.820 -0.534 0.000 2.564 228 A HA 0.667 5.005 4.320 0.031 0.000 0.291 228 A C -0.629 176.609 177.584 -0.577 0.000 1.102 228 A CA -0.832 50.697 52.037 -0.845 0.000 0.660 228 A CB 0.532 19.354 19.000 -0.297 0.000 1.283 228 A HN 0.275 nan 8.150 nan 0.000 0.430 229 V N 0.804 120.555 119.914 -0.271 0.000 2.742 229 V HA 0.015 4.154 4.120 0.031 0.000 0.302 229 V C 0.295 176.341 176.094 -0.081 0.000 1.133 229 V CA 0.590 62.884 62.300 -0.010 0.000 1.284 229 V CB 0.166 32.011 31.823 0.037 0.000 0.850 229 V HN 0.615 nan 8.190 nan 0.000 0.494 230 V N 6.489 126.381 119.914 -0.037 0.000 2.385 230 V HA 0.247 4.386 4.120 0.031 0.000 0.269 230 V C 1.000 177.075 176.094 -0.031 0.000 1.043 230 V CA -0.343 61.890 62.300 -0.112 0.000 0.906 230 V CB 1.188 32.996 31.823 -0.024 0.000 0.995 230 V HN 0.929 nan 8.190 nan 0.000 0.467 231 E N 2.169 122.344 120.200 -0.042 0.000 2.140 231 E HA 0.099 4.467 4.350 0.031 0.000 0.191 231 E C 0.066 176.702 176.600 0.060 0.000 0.973 231 E CA 0.619 57.037 56.400 0.031 0.000 0.829 231 E CB 0.526 30.233 29.700 0.011 0.000 0.781 231 E HN 0.769 nan 8.360 nan 0.000 0.466 232 D N -0.855 119.568 120.400 0.038 0.000 2.655 232 D HA 0.359 5.018 4.640 0.031 0.000 0.229 232 D C -1.749 174.596 176.300 0.074 0.000 1.229 232 D CA -0.650 53.388 54.000 0.063 0.000 0.807 232 D CB 2.489 43.328 40.800 0.065 0.000 1.514 232 D HN -0.170 nan 8.370 nan 0.000 0.444 233 V N 1.087 121.043 119.914 0.069 0.000 2.932 233 V HA 0.819 4.957 4.120 0.031 0.000 0.307 233 V C -1.672 174.465 176.094 0.071 0.000 1.147 233 V CA -0.206 62.135 62.300 0.067 0.000 0.951 233 V CB 2.036 33.831 31.823 -0.046 0.000 1.031 233 V HN 0.557 nan 8.190 nan 0.000 0.426 234 S N 5.055 120.849 115.700 0.157 0.000 2.566 234 S HA 0.568 5.056 4.470 0.031 0.000 0.273 234 S C -1.442 173.384 174.600 0.376 0.000 1.157 234 S CA -0.576 57.781 58.200 0.262 0.000 0.938 234 S CB 0.912 64.326 63.200 0.356 0.000 1.087 234 S HN 0.720 nan 8.310 nan 0.000 0.474 235 W N 3.951 125.419 121.300 0.281 0.000 2.158 235 W HA 0.244 4.919 4.660 0.025 0.000 0.339 235 W C 1.354 177.919 176.519 0.077 0.000 1.294 235 W CA 0.019 57.501 57.345 0.228 0.000 1.231 235 W CB 0.265 29.801 29.460 0.126 0.000 1.143 235 W HN 0.622 nan 8.180 nan 0.000 0.571 236 H N 2.849 121.934 119.070 0.025 0.000 2.948 236 H HA -0.034 4.531 4.556 0.014 0.000 0.351 236 H C 0.984 176.211 175.328 -0.170 0.000 1.079 236 H CA 0.798 56.537 56.048 -0.515 0.000 1.407 236 H CB 0.926 30.447 29.762 -0.402 0.000 1.373 236 H HN 0.485 nan 8.280 nan 0.000 0.605 237 L N 4.400 125.311 121.223 -0.520 0.000 2.395 237 L HA -0.116 4.243 4.340 0.031 0.000 0.218 237 L C 1.967 178.722 176.870 -0.191 0.000 1.130 237 L CA 0.333 55.014 54.840 -0.266 0.000 0.826 237 L CB -0.050 41.831 42.059 -0.297 0.000 0.941 237 L HN 0.448 nan 8.230 nan 0.000 0.451 238 L N -2.144 119.019 121.223 -0.099 0.000 2.600 238 L HA 0.272 4.630 4.340 0.031 0.000 0.213 238 L C 0.554 177.285 176.870 -0.231 0.000 1.045 238 L CA 0.697 55.403 54.840 -0.223 0.000 0.863 238 L CB 0.184 41.980 42.059 -0.438 0.000 1.189 238 L HN 0.088 nan 8.230 nan 0.000 0.484 239 H N 1.404 120.549 119.070 0.126 0.000 2.640 239 H HA 0.253 4.821 4.556 0.021 0.000 0.297 239 H C 0.598 175.943 175.328 0.029 0.000 1.073 239 H CA 0.152 56.171 56.048 -0.048 0.000 1.305 239 H CB 0.879 30.486 29.762 -0.259 0.000 1.404 239 H HN 0.406 nan 8.280 nan 0.000 0.459 240 E N 1.092 121.348 120.200 0.092 0.000 2.338 240 E HA -0.126 4.242 4.350 0.031 0.000 0.197 240 E C 0.983 177.647 176.600 0.106 0.000 1.007 240 E CA 1.074 57.466 56.400 -0.014 0.000 0.849 240 E CB 0.247 29.886 29.700 -0.102 0.000 0.774 240 E HN 0.399 nan 8.360 nan 0.000 0.506 241 S N 0.177 116.004 115.700 0.213 0.000 2.540 241 S HA 0.213 4.702 4.470 0.031 0.000 0.218 241 S C 0.591 175.446 174.600 0.424 0.000 0.977 241 S CA -0.633 57.764 58.200 0.328 0.000 0.918 241 S CB -0.012 63.306 63.200 0.198 0.000 0.806 241 S HN 0.125 nan 8.310 nan 0.000 0.496 242 L N 2.702 124.153 121.223 0.381 0.000 2.309 242 L HA 0.691 5.050 4.340 0.031 0.000 0.282 242 L C -0.613 176.524 176.870 0.444 0.000 1.036 242 L CA -1.081 53.918 54.840 0.264 0.000 0.806 242 L CB 1.415 43.512 42.059 0.063 0.000 1.220 242 L HN 0.475 nan 8.230 nan 0.000 0.429 243 F N 0.446 120.486 119.950 0.150 0.000 2.643 243 F HA 0.921 5.465 4.527 0.029 0.000 0.314 243 F C -0.248 175.731 175.800 0.298 0.000 1.096 243 F CA -0.898 57.166 58.000 0.107 0.000 0.953 243 F CB 1.565 40.321 39.000 -0.407 0.000 1.345 243 F HN 0.367 nan 8.300 nan 0.000 0.468 244 G N 0.093 109.264 108.800 0.618 0.000 2.533 244 G HA2 0.653 4.632 3.960 0.031 0.000 0.304 244 G HA3 0.653 4.632 3.960 0.031 0.000 0.304 244 G C -1.737 173.416 174.900 0.421 0.000 1.263 244 G CA -0.688 44.678 45.100 0.444 0.000 0.964 244 G HN 1.221 nan 8.290 nan 0.000 0.479 245 S N -1.519 114.407 115.700 0.377 0.000 2.588 245 S HA 0.817 5.306 4.470 0.031 0.000 0.275 245 S C -0.748 174.024 174.600 0.286 0.000 1.130 245 S CA -0.467 57.958 58.200 0.375 0.000 0.855 245 S CB 1.683 65.247 63.200 0.608 0.000 1.116 245 S HN 1.831 nan 8.310 nan 0.000 0.472 246 V N -1.716 118.271 119.914 0.123 0.000 2.925 246 V HA 1.062 5.200 4.120 0.031 0.000 0.311 246 V C -0.184 175.794 176.094 -0.194 0.000 1.104 246 V CA -0.459 61.848 62.300 0.012 0.000 0.954 246 V CB 0.811 32.652 31.823 0.030 0.000 1.022 246 V HN 1.762 nan 8.190 nan 0.000 0.427 247 A N 1.585 124.264 122.820 -0.235 0.000 2.583 247 A HA 0.788 5.126 4.320 0.031 0.000 0.289 247 A C -0.035 177.472 177.584 -0.128 0.000 1.151 247 A CA -0.247 51.608 52.037 -0.304 0.000 0.695 247 A CB 1.485 20.056 19.000 -0.715 0.000 1.290 247 A HN 0.750 nan 8.150 nan 0.000 0.419 248 D N 0.468 120.800 120.400 -0.114 0.000 2.378 248 D HA -0.034 4.624 4.640 0.031 0.000 0.222 248 D C 0.628 176.901 176.300 -0.045 0.000 0.980 248 D CA 1.512 55.474 54.000 -0.064 0.000 0.907 248 D CB 0.010 40.777 40.800 -0.055 0.000 0.899 248 D HN 0.608 nan 8.370 nan 0.000 0.527 249 D N -0.319 120.056 120.400 -0.042 0.000 2.336 249 D HA -0.073 4.586 4.640 0.031 0.000 0.229 249 D C 0.330 176.651 176.300 0.036 0.000 1.061 249 D CA 0.105 54.108 54.000 0.005 0.000 0.875 249 D CB -0.232 40.593 40.800 0.042 0.000 0.904 249 D HN 0.087 nan 8.370 nan 0.000 0.525 250 Q N -1.566 118.254 119.800 0.034 0.000 2.429 250 Q HA -0.156 4.203 4.340 0.031 0.000 0.232 250 Q C -0.536 175.516 176.000 0.086 0.000 0.724 250 Q CA 0.858 56.703 55.803 0.071 0.000 1.287 250 Q CB -1.380 27.401 28.738 0.072 0.000 1.429 250 Q HN 0.393 nan 8.270 nan 0.000 0.721 251 K N 0.768 121.219 120.400 0.085 0.000 2.156 251 K HA 0.613 4.952 4.320 0.031 0.000 0.254 251 K C -0.593 176.055 176.600 0.081 0.000 0.950 251 K CA -0.928 55.404 56.287 0.074 0.000 0.849 251 K CB 1.740 34.310 32.500 0.117 0.000 1.100 251 K HN 0.011 nan 8.250 nan 0.000 0.434 252 L N 2.653 123.838 121.223 -0.064 0.000 2.307 252 L HA 0.499 4.858 4.340 0.031 0.000 0.284 252 L C -1.062 175.728 176.870 -0.134 0.000 1.023 252 L CA -0.123 54.649 54.840 -0.112 0.000 0.810 252 L CB 1.240 43.057 42.059 -0.402 0.000 1.231 252 L HN 0.601 nan 8.230 nan 0.000 0.423 253 M N 5.644 125.203 119.600 -0.069 0.000 2.464 253 M HA 0.504 5.003 4.480 0.031 0.000 0.308 253 M C -1.286 174.826 176.300 -0.313 0.000 1.127 253 M CA -0.674 54.443 55.300 -0.306 0.000 0.913 253 M CB 2.275 34.576 32.600 -0.497 0.000 1.689 253 M HN 0.341 nan 8.290 nan 0.000 0.445 254 I N 1.954 122.253 120.570 -0.451 0.000 2.362 254 I HA 0.392 4.580 4.170 0.031 0.000 0.289 254 I C -1.182 174.580 176.117 -0.591 0.000 0.994 254 I CA -0.554 60.567 61.300 -0.299 0.000 1.158 254 I CB 0.811 38.792 38.000 -0.031 0.000 1.315 254 I HN 0.731 nan 8.210 nan 0.000 0.451 255 W N 4.255 125.193 121.300 -0.604 0.000 2.639 255 W HA 0.476 5.153 4.660 0.029 0.000 0.347 255 W C -0.064 176.099 176.519 -0.593 0.000 1.067 255 W CA -0.379 56.469 57.345 -0.827 0.000 1.218 255 W CB 1.238 29.556 29.460 -1.904 0.000 1.393 255 W HN 0.304 nan 8.180 nan 0.000 0.557 256 D N 0.313 120.673 120.400 -0.066 0.000 2.549 256 D HA 0.118 4.777 4.640 0.031 0.000 0.251 256 D C 1.052 177.480 176.300 0.213 0.000 1.153 256 D CA -0.293 53.745 54.000 0.064 0.000 0.861 256 D CB 1.658 42.478 40.800 0.032 0.000 1.207 256 D HN 0.463 nan 8.370 nan 0.000 0.543 257 T N 1.497 116.251 114.554 0.332 0.000 2.929 257 T HA -0.104 4.265 4.350 0.031 0.000 0.271 257 T C 1.611 176.489 174.700 0.296 0.000 1.085 257 T CA 0.788 63.150 62.100 0.436 0.000 1.125 257 T CB 0.018 69.203 68.868 0.528 0.000 0.874 257 T HN 0.317 nan 8.240 nan 0.000 0.494 258 R N 1.408 122.032 120.500 0.207 0.000 2.235 258 R HA 0.156 4.515 4.340 0.031 0.000 0.213 258 R C 1.402 177.774 176.300 0.121 0.000 1.059 258 R CA 0.462 56.647 56.100 0.142 0.000 0.997 258 R CB -0.136 30.223 30.300 0.098 0.000 0.884 258 R HN 0.419 nan 8.270 nan 0.000 0.462 259 S N 0.731 116.513 115.700 0.136 0.000 2.549 259 S HA 0.039 4.527 4.470 0.031 0.000 0.279 259 S C 0.838 175.512 174.600 0.123 0.000 1.321 259 S CA -0.725 57.541 58.200 0.110 0.000 1.054 259 S CB 0.669 63.933 63.200 0.107 0.000 0.899 259 S HN 0.178 nan 8.310 nan 0.000 0.497 260 N N 3.342 122.089 118.700 0.078 0.000 2.396 260 N HA -0.055 4.703 4.740 0.031 0.000 0.180 260 N C 0.112 175.660 175.510 0.063 0.000 1.028 260 N CA 0.471 53.557 53.050 0.060 0.000 0.893 260 N CB -0.510 37.997 38.487 0.034 0.000 0.967 260 N HN 0.586 nan 8.380 nan 0.000 0.440 261 N N 1.239 119.989 118.700 0.084 0.000 2.439 261 N HA 0.021 4.779 4.740 0.031 0.000 0.243 261 N C 0.506 176.132 175.510 0.193 0.000 1.088 261 N CA 0.159 53.267 53.050 0.097 0.000 0.940 261 N CB 0.553 39.083 38.487 0.071 0.000 1.180 261 N HN 0.137 nan 8.380 nan 0.000 0.505 262 T N -1.196 113.448 114.554 0.151 0.000 3.107 262 T HA -0.015 4.354 4.350 0.031 0.000 0.249 262 T C 1.427 176.301 174.700 0.290 0.000 1.096 262 T CA 0.338 62.570 62.100 0.221 0.000 1.012 262 T CB -0.158 68.606 68.868 -0.175 0.000 0.977 262 T HN 0.335 nan 8.240 nan 0.000 0.527 263 S N -0.282 115.559 115.700 0.235 0.000 2.535 263 S HA 0.280 4.768 4.470 0.031 0.000 0.214 263 S C 0.485 175.243 174.600 0.265 0.000 0.980 263 S CA -0.486 57.851 58.200 0.227 0.000 0.907 263 S CB -0.097 63.170 63.200 0.111 0.000 0.790 263 S HN 0.491 nan 8.310 nan 0.000 0.510 264 K N 2.216 122.763 120.400 0.245 0.000 2.507 264 K HA 0.491 4.830 4.320 0.031 0.000 0.251 264 K C -3.162 173.302 176.600 -0.227 0.000 0.943 264 K CA -2.102 54.184 56.287 -0.002 0.000 0.794 264 K CB 2.181 34.661 32.500 -0.034 0.000 1.188 264 K HN 0.048 nan 8.250 nan 0.000 0.428 265 P HA 0.179 nan 4.420 nan 0.000 0.279 265 P C 0.109 177.007 177.300 -0.671 0.000 1.276 265 P CA -0.383 61.954 63.100 -1.271 0.000 0.801 265 P CB 1.209 31.716 31.700 -1.987 0.000 1.127 266 S N -1.140 114.199 115.700 -0.601 0.000 2.382 266 S HA -0.070 4.419 4.470 0.031 0.000 0.228 266 S C 0.628 174.723 174.600 -0.841 0.000 1.027 266 S CA 1.119 58.975 58.200 -0.574 0.000 0.991 266 S CB -0.540 62.392 63.200 -0.446 0.000 0.823 266 S HN 0.538 nan 8.310 nan 0.000 0.469 267 H N -1.108 117.739 119.070 -0.371 0.000 3.012 267 H HA 0.537 5.113 4.556 0.033 0.000 0.367 267 H C -1.099 174.008 175.328 -0.368 0.000 1.211 267 H CA -0.520 55.351 56.048 -0.295 0.000 1.139 267 H CB 1.787 31.421 29.762 -0.213 0.000 1.838 267 H HN 0.121 nan 8.280 nan 0.000 0.550 268 S N 1.860 117.463 115.700 -0.162 0.000 2.706 268 S HA 0.455 4.944 4.470 0.031 0.000 0.270 268 S C -0.986 173.521 174.600 -0.156 0.000 1.163 268 S CA -0.620 57.449 58.200 -0.218 0.000 1.042 268 S CB 0.066 63.118 63.200 -0.245 0.000 1.079 268 S HN 0.570 nan 8.310 nan 0.000 0.474 269 V N 1.223 121.023 119.914 -0.189 0.000 2.914 269 V HA 0.702 4.840 4.120 0.031 0.000 0.314 269 V C -0.751 175.258 176.094 -0.141 0.000 1.084 269 V CA -0.977 61.221 62.300 -0.170 0.000 0.963 269 V CB 1.892 33.577 31.823 -0.230 0.000 1.025 269 V HN 0.725 nan 8.190 nan 0.000 0.432 270 D N 2.903 123.264 120.400 -0.065 0.000 2.342 270 D HA 0.436 5.095 4.640 0.031 0.000 0.260 270 D C 0.850 177.160 176.300 0.017 0.000 1.278 270 D CA 0.695 54.689 54.000 -0.010 0.000 0.910 270 D CB 1.795 42.606 40.800 0.017 0.000 1.079 270 D HN 0.873 nan 8.370 nan 0.000 0.496 271 A N 3.668 126.502 122.820 0.022 0.000 1.956 271 A HA 0.021 4.360 4.320 0.031 0.000 0.212 271 A C 0.765 178.357 177.584 0.014 0.000 1.188 271 A CA 0.861 52.946 52.037 0.079 0.000 0.675 271 A CB 0.316 19.344 19.000 0.046 0.000 0.845 271 A HN 0.582 nan 8.150 nan 0.000 0.455 272 H N -2.425 116.737 119.070 0.155 0.000 2.966 272 H HA 0.273 4.847 4.556 0.030 0.000 0.330 272 H C -0.026 175.336 175.328 0.057 0.000 1.292 272 H CA 0.382 56.495 56.048 0.108 0.000 1.127 272 H CB 1.121 30.933 29.762 0.084 0.000 1.863 272 H HN 0.165 nan 8.280 nan 0.000 0.543 273 T N -1.668 112.994 114.554 0.179 0.000 3.163 273 T HA 0.625 4.994 4.350 0.031 0.000 0.252 273 T C 0.528 175.267 174.700 0.066 0.000 1.056 273 T CA 0.282 62.438 62.100 0.093 0.000 0.947 273 T CB -0.045 68.860 68.868 0.062 0.000 1.016 273 T HN 0.641 nan 8.240 nan 0.000 0.554 274 A N 0.738 123.600 122.820 0.070 0.000 2.506 274 A HA 0.648 4.987 4.320 0.031 0.000 0.305 274 A C -1.484 176.095 177.584 -0.009 0.000 1.166 274 A CA -1.158 50.887 52.037 0.014 0.000 0.638 274 A CB 0.254 19.242 19.000 -0.020 0.000 1.336 274 A HN 0.266 nan 8.150 nan 0.000 0.493 275 E N -0.042 120.129 120.200 -0.047 0.000 2.568 275 E HA 0.315 4.683 4.350 0.031 0.000 0.262 275 E C -0.623 175.901 176.600 -0.126 0.000 0.961 275 E CA 0.460 56.820 56.400 -0.066 0.000 0.945 275 E CB 0.299 29.962 29.700 -0.063 0.000 0.924 275 E HN 0.404 nan 8.360 nan 0.000 0.467 276 V N 4.131 123.991 119.914 -0.090 0.000 2.347 276 V HA 0.132 4.270 4.120 0.031 0.000 0.280 276 V C 0.485 176.531 176.094 -0.080 0.000 1.021 276 V CA -0.661 61.569 62.300 -0.116 0.000 0.847 276 V CB 1.261 33.100 31.823 0.027 0.000 0.990 276 V HN 0.617 nan 8.190 nan 0.000 0.444 277 N N 2.633 121.271 118.700 -0.103 0.000 2.356 277 N HA 0.126 4.885 4.740 0.031 0.000 0.178 277 N C 0.202 175.728 175.510 0.026 0.000 1.075 277 N CA 0.590 53.628 53.050 -0.020 0.000 0.889 277 N CB 0.717 39.188 38.487 -0.027 0.000 0.999 277 N HN 0.824 nan 8.380 nan 0.000 0.464 278 C N -0.387 118.920 119.300 0.013 0.000 3.284 278 C HA 0.787 5.265 4.460 0.031 0.000 0.338 278 C C -0.925 174.098 174.990 0.056 0.000 1.237 278 C CA -1.669 57.376 59.018 0.045 0.000 1.276 278 C CB 0.636 28.410 27.740 0.056 0.000 1.601 278 C HN 0.201 nan 8.230 nan 0.000 0.494 279 L N -0.189 121.070 121.223 0.059 0.000 2.465 279 L HA 0.981 5.339 4.340 0.031 0.000 0.257 279 L C -0.761 176.143 176.870 0.057 0.000 0.988 279 L CA -0.262 54.605 54.840 0.046 0.000 0.827 279 L CB 1.922 43.966 42.059 -0.025 0.000 1.397 279 L HN 1.003 nan 8.230 nan 0.000 0.410 280 S N 0.998 116.751 115.700 0.088 0.000 2.572 280 S HA 0.683 5.172 4.470 0.031 0.000 0.274 280 S C -1.251 173.555 174.600 0.343 0.000 1.150 280 S CA -0.413 57.930 58.200 0.238 0.000 0.944 280 S CB 0.903 64.287 63.200 0.306 0.000 1.071 280 S HN 0.518 nan 8.310 nan 0.000 0.479 281 F N 3.675 123.817 119.950 0.320 0.000 2.399 281 F HA 0.367 4.908 4.527 0.024 0.000 0.342 281 F C 1.240 176.929 175.800 -0.186 0.000 1.106 281 F CA -0.437 57.629 58.000 0.110 0.000 1.196 281 F CB 0.751 39.710 39.000 -0.068 0.000 1.163 281 F HN 0.544 nan 8.300 nan 0.000 0.547 282 N N 5.210 123.618 118.700 -0.486 0.000 2.475 282 N HA 0.049 4.808 4.740 0.031 0.000 0.267 282 N C -1.758 173.471 175.510 -0.469 0.000 1.169 282 N CA -1.261 51.121 53.050 -1.114 0.000 0.947 282 N CB 1.220 38.956 38.487 -1.253 0.000 1.061 282 N HN 0.257 nan 8.380 nan 0.000 0.466 283 P HA -0.013 nan 4.420 nan 0.000 0.245 283 P C 0.103 177.051 177.300 -0.587 0.000 1.212 283 P CA 0.863 63.708 63.100 -0.425 0.000 0.774 283 P CB 0.081 31.520 31.700 -0.436 0.000 0.999 284 Y N -0.642 119.505 120.300 -0.255 0.000 2.535 284 Y HA 0.215 4.763 4.550 -0.003 0.000 0.266 284 Y C 0.974 176.763 175.900 -0.185 0.000 1.088 284 Y CA 0.241 58.224 58.100 -0.194 0.000 1.285 284 Y CB 0.350 38.713 38.460 -0.162 0.000 1.166 284 Y HN -0.186 nan 8.280 nan 0.000 0.525 285 S N 1.182 116.827 115.700 -0.092 0.000 2.667 285 S HA 0.101 4.589 4.470 0.031 0.000 0.304 285 S C 0.749 175.276 174.600 -0.122 0.000 1.135 285 S CA -0.739 57.410 58.200 -0.085 0.000 1.125 285 S CB 0.802 63.966 63.200 -0.060 0.000 0.996 285 S HN 0.496 nan 8.310 nan 0.000 0.474 286 E N 2.248 122.326 120.200 -0.204 0.000 2.265 286 E HA -0.161 4.208 4.350 0.031 0.000 0.196 286 E C 0.407 176.965 176.600 -0.070 0.000 0.996 286 E CA 1.397 57.678 56.400 -0.198 0.000 0.832 286 E CB -0.353 29.148 29.700 -0.333 0.000 0.756 286 E HN 0.733 nan 8.360 nan 0.000 0.491 287 F N 0.769 120.832 119.950 0.189 0.000 2.776 287 F HA 0.224 4.774 4.527 0.039 0.000 0.300 287 F C 0.710 176.646 175.800 0.226 0.000 1.116 287 F CA -0.502 57.619 58.000 0.202 0.000 1.375 287 F CB 0.477 39.553 39.000 0.127 0.000 1.109 287 F HN -0.022 nan 8.300 nan 0.000 0.585 288 I N 2.680 123.433 120.570 0.305 0.000 2.412 288 I HA 0.438 4.627 4.170 0.031 0.000 0.296 288 I C -0.111 176.161 176.117 0.258 0.000 0.987 288 I CA -0.968 60.480 61.300 0.246 0.000 1.180 288 I CB 1.066 39.110 38.000 0.074 0.000 1.340 288 I HN -0.003 nan 8.210 nan 0.000 0.455 289 L N 3.111 124.568 121.223 0.390 0.000 2.491 289 L HA 1.072 5.431 4.340 0.031 0.000 0.254 289 L C -0.982 176.259 176.870 0.619 0.000 1.048 289 L CA -0.884 54.209 54.840 0.421 0.000 0.855 289 L CB 2.146 44.188 42.059 -0.029 0.000 1.466 289 L HN 0.528 nan 8.230 nan 0.000 0.409 290 A N 0.196 123.361 122.820 0.574 0.000 2.454 290 A HA 0.927 5.265 4.320 0.031 0.000 0.302 290 A C -0.564 177.225 177.584 0.341 0.000 1.079 290 A CA -0.097 52.198 52.037 0.430 0.000 0.731 290 A CB 1.856 20.936 19.000 0.134 0.000 1.299 290 A HN 0.926 nan 8.150 nan 0.000 0.413 291 T N -0.976 113.826 114.554 0.413 0.000 2.876 291 T HA 0.771 5.140 4.350 0.031 0.000 0.289 291 T C 0.025 174.881 174.700 0.260 0.000 1.014 291 T CA -0.098 62.222 62.100 0.366 0.000 0.986 291 T CB 1.721 70.933 68.868 0.573 0.000 1.021 291 T HN 1.467 nan 8.240 nan 0.000 0.458 292 G N 0.170 109.011 108.800 0.068 0.000 2.432 292 G HA2 0.633 4.612 3.960 0.031 0.000 0.331 292 G HA3 0.633 4.612 3.960 0.031 0.000 0.331 292 G C -1.034 173.683 174.900 -0.305 0.000 1.170 292 G CA -0.757 44.294 45.100 -0.081 0.000 0.943 292 G HN 0.923 nan 8.290 nan 0.000 0.483 293 S N -0.664 114.780 115.700 -0.428 0.000 2.627 293 S HA 0.586 5.074 4.470 0.031 0.000 0.283 293 S C 1.259 175.631 174.600 -0.380 0.000 1.127 293 S CA 0.329 58.216 58.200 -0.521 0.000 0.863 293 S CB 1.571 64.212 63.200 -0.933 0.000 1.121 293 S HN 1.376 nan 8.310 nan 0.000 0.479 294 A N 1.482 124.100 122.820 -0.336 0.000 2.125 294 A HA -0.062 4.277 4.320 0.031 0.000 0.219 294 A C 1.320 178.805 177.584 -0.164 0.000 1.156 294 A CA 2.024 53.895 52.037 -0.275 0.000 0.671 294 A CB -0.895 17.985 19.000 -0.199 0.000 0.794 294 A HN 0.911 nan 8.150 nan 0.000 0.459 295 D N -1.486 118.837 120.400 -0.129 0.000 2.363 295 D HA -0.035 4.623 4.640 0.031 0.000 0.226 295 D C 0.637 176.929 176.300 -0.014 0.000 1.020 295 D CA 0.600 54.579 54.000 -0.035 0.000 0.892 295 D CB -0.397 40.428 40.800 0.042 0.000 0.900 295 D HN 0.516 nan 8.370 nan 0.000 0.531 296 K N -1.748 118.620 120.400 -0.053 0.000 3.509 296 K HA -0.149 4.190 4.320 0.031 0.000 0.302 296 K C 0.017 176.669 176.600 0.087 0.000 1.355 296 K CA 1.241 57.536 56.287 0.012 0.000 0.953 296 K CB -2.549 29.985 32.500 0.057 0.000 1.321 296 K HN 0.538 nan 8.250 nan 0.000 0.461 297 T N -2.148 112.439 114.554 0.057 0.000 2.940 297 T HA 0.650 5.018 4.350 0.031 0.000 0.288 297 T C 0.044 174.808 174.700 0.107 0.000 1.033 297 T CA -0.837 61.322 62.100 0.098 0.000 1.033 297 T CB 2.368 71.293 68.868 0.096 0.000 1.079 297 T HN -0.039 nan 8.240 nan 0.000 0.496 298 V N 2.038 122.003 119.914 0.084 0.000 2.398 298 V HA 0.716 4.854 4.120 0.031 0.000 0.286 298 V C 0.555 176.737 176.094 0.147 0.000 1.026 298 V CA -0.793 61.567 62.300 0.100 0.000 0.868 298 V CB 0.804 32.562 31.823 -0.107 0.000 0.982 298 V HN 1.287 nan 8.190 nan 0.000 0.443 299 A N 5.007 127.930 122.820 0.173 0.000 2.306 299 A HA 0.891 5.229 4.320 0.031 0.000 0.330 299 A C -0.986 176.451 177.584 -0.245 0.000 1.146 299 A CA -0.541 51.377 52.037 -0.198 0.000 0.827 299 A CB 1.269 19.974 19.000 -0.492 0.000 1.178 299 A HN 0.775 nan 8.150 nan 0.000 0.490 300 L N 0.945 121.900 121.223 -0.448 0.000 2.322 300 L HA 0.814 5.172 4.340 0.031 0.000 0.281 300 L C -1.503 175.094 176.870 -0.454 0.000 1.014 300 L CA -0.187 54.559 54.840 -0.156 0.000 0.815 300 L CB 1.013 43.161 42.059 0.148 0.000 1.247 300 L HN 0.758 nan 8.230 nan 0.000 0.421 301 W N 3.184 124.591 121.300 0.177 0.000 2.864 301 W HA 0.503 5.176 4.660 0.022 0.000 0.343 301 W C -0.880 175.722 176.519 0.139 0.000 1.109 301 W CA -0.553 56.860 57.345 0.113 0.000 1.192 301 W CB 1.641 31.155 29.460 0.090 0.000 1.426 301 W HN 0.395 nan 8.180 nan 0.000 0.529 302 D N 2.123 122.750 120.400 0.379 0.000 2.549 302 D HA 0.213 4.871 4.640 0.031 0.000 0.251 302 D C 0.707 177.130 176.300 0.205 0.000 1.153 302 D CA -0.325 53.835 54.000 0.267 0.000 0.861 302 D CB 1.767 42.660 40.800 0.155 0.000 1.207 302 D HN 0.443 nan 8.370 nan 0.000 0.543 303 L N 3.128 124.494 121.223 0.238 0.000 2.137 303 L HA -0.203 4.156 4.340 0.031 0.000 0.213 303 L C 2.252 179.080 176.870 -0.070 0.000 1.085 303 L CA 1.182 56.098 54.840 0.127 0.000 0.760 303 L CB -0.098 42.151 42.059 0.316 0.000 0.893 303 L HN 0.340 nan 8.230 nan 0.000 0.434 304 R N -0.489 119.932 120.500 -0.133 0.000 2.235 304 R HA -0.052 4.306 4.340 0.031 0.000 0.213 304 R C 0.386 176.581 176.300 -0.175 0.000 1.059 304 R CA 0.574 56.524 56.100 -0.251 0.000 0.997 304 R CB -0.115 29.941 30.300 -0.406 0.000 0.884 304 R HN 0.204 nan 8.270 nan 0.000 0.462 305 N N -0.135 118.502 118.700 -0.104 0.000 2.976 305 N HA 0.064 4.822 4.740 0.031 0.000 0.220 305 N C -0.272 175.245 175.510 0.012 0.000 1.428 305 N CA -0.095 52.917 53.050 -0.063 0.000 0.748 305 N CB 0.548 39.011 38.487 -0.040 0.000 1.484 305 N HN -0.061 nan 8.380 nan 0.000 0.578 306 L N 0.885 122.091 121.223 -0.030 0.000 2.610 306 L HA 0.100 4.459 4.340 0.031 0.000 0.232 306 L C 1.639 178.568 176.870 0.098 0.000 1.149 306 L CA 0.335 55.201 54.840 0.044 0.000 0.872 306 L CB -0.017 41.960 42.059 -0.138 0.000 0.992 306 L HN 0.153 nan 8.230 nan 0.000 0.447 307 K N 0.485 120.919 120.400 0.056 0.000 2.288 307 K HA 0.139 4.477 4.320 0.031 0.000 0.201 307 K C 0.432 177.095 176.600 0.104 0.000 1.048 307 K CA 0.764 57.087 56.287 0.060 0.000 0.956 307 K CB -0.056 32.456 32.500 0.021 0.000 0.746 307 K HN 0.251 nan 8.250 nan 0.000 0.461 308 L N 1.518 122.817 121.223 0.127 0.000 2.372 308 L HA 0.284 4.643 4.340 0.031 0.000 0.273 308 L C -0.054 176.858 176.870 0.071 0.000 0.989 308 L CA -0.712 54.176 54.840 0.080 0.000 0.841 308 L CB 1.963 44.038 42.059 0.026 0.000 1.225 308 L HN -0.129 nan 8.230 nan 0.000 0.414 309 K N 2.507 122.876 120.400 -0.050 0.000 2.484 309 K HA 0.087 4.426 4.320 0.031 0.000 0.280 309 K C 0.775 177.188 176.600 -0.313 0.000 1.013 309 K CA 0.004 56.014 56.287 -0.462 0.000 1.029 309 K CB 0.781 32.904 32.500 -0.628 0.000 0.902 309 K HN 0.642 nan 8.250 nan 0.000 0.481 310 L N 2.291 123.324 121.223 -0.317 0.000 2.131 310 L HA -0.012 4.346 4.340 0.031 0.000 0.206 310 L C 0.677 177.468 176.870 -0.131 0.000 1.087 310 L CA 0.700 55.454 54.840 -0.143 0.000 0.767 310 L CB -0.148 41.882 42.059 -0.049 0.000 0.917 310 L HN 0.743 nan 8.230 nan 0.000 0.441 311 H N -2.161 116.669 119.070 -0.400 0.000 3.060 311 H HA 0.286 4.862 4.556 0.032 0.000 0.330 311 H C -1.375 173.614 175.328 -0.565 0.000 1.305 311 H CA -0.783 54.979 56.048 -0.476 0.000 1.209 311 H CB 1.722 31.128 29.762 -0.594 0.000 1.913 311 H HN -0.231 nan 8.280 nan 0.000 0.534 312 S N 3.438 118.457 115.700 -1.136 0.000 2.596 312 S HA 0.454 4.943 4.470 0.031 0.000 0.318 312 S C -1.476 172.625 174.600 -0.832 0.000 1.097 312 S CA -0.579 57.180 58.200 -0.736 0.000 1.080 312 S CB -0.178 62.750 63.200 -0.454 0.000 0.991 312 S HN 0.380 nan 8.310 nan 0.000 0.471 313 F N 3.408 123.087 119.950 -0.453 0.000 2.421 313 F HA 0.398 4.940 4.527 0.025 0.000 0.358 313 F C 0.944 176.500 175.800 -0.406 0.000 1.115 313 F CA -0.310 57.319 58.000 -0.618 0.000 1.160 313 F CB 0.926 39.045 39.000 -1.468 0.000 1.123 313 F HN 0.470 nan 8.300 nan 0.000 0.508 314 E N 1.629 121.880 120.200 0.084 0.000 2.224 314 E HA 0.474 4.843 4.350 0.031 0.000 0.265 314 E C 0.034 176.879 176.600 0.408 0.000 0.878 314 E CA -0.406 56.119 56.400 0.208 0.000 0.759 314 E CB 2.037 31.785 29.700 0.080 0.000 1.164 314 E HN 0.600 nan 8.360 nan 0.000 0.414 315 S N 1.666 117.591 115.700 0.374 0.000 1.512 315 S HA -0.072 4.416 4.470 0.031 0.000 0.155 315 S C -0.139 174.525 174.600 0.107 0.000 0.623 315 S CA -0.322 58.006 58.200 0.214 0.000 1.671 315 S CB -0.168 63.133 63.200 0.168 0.000 0.969 315 S HN 0.609 nan 8.310 nan 0.000 0.348 316 H N 2.619 121.829 119.070 0.233 0.000 2.972 316 H HA 0.260 4.834 4.556 0.030 0.000 0.343 316 H C 0.745 176.117 175.328 0.074 0.000 1.054 316 H CA 0.677 56.804 56.048 0.132 0.000 1.412 316 H CB 0.792 30.643 29.762 0.148 0.000 1.385 316 H HN 0.273 nan 8.280 nan 0.000 0.600 317 K N 1.475 121.988 120.400 0.188 0.000 2.358 317 K HA 0.104 4.443 4.320 0.031 0.000 0.197 317 K C 0.224 176.865 176.600 0.067 0.000 1.025 317 K CA 0.179 56.525 56.287 0.098 0.000 1.104 317 K CB 1.070 33.607 32.500 0.062 0.000 0.855 317 K HN 0.582 nan 8.250 nan 0.000 0.531 318 D N 0.281 120.719 120.400 0.063 0.000 2.946 318 D HA 0.031 4.690 4.640 0.031 0.000 0.337 318 D C -1.184 175.061 176.300 -0.092 0.000 1.332 318 D CA -0.463 53.535 54.000 -0.004 0.000 0.935 318 D CB 1.323 42.128 40.800 0.008 0.000 1.440 318 D HN -0.064 nan 8.370 nan 0.000 0.540 319 E N 0.805 120.900 120.200 -0.176 0.000 2.360 319 E HA 0.281 4.650 4.350 0.031 0.000 0.269 319 E C -0.410 175.884 176.600 -0.510 0.000 1.022 319 E CA -0.118 56.051 56.400 -0.385 0.000 0.887 319 E CB 0.511 29.904 29.700 -0.512 0.000 0.990 319 E HN 0.242 nan 8.360 nan 0.000 0.426 320 I N 5.381 125.626 120.570 -0.542 0.000 2.331 320 I HA 0.107 4.295 4.170 0.031 0.000 0.292 320 I C 0.080 175.901 176.117 -0.494 0.000 0.998 320 I CA -0.232 60.798 61.300 -0.450 0.000 1.267 320 I CB 0.692 38.497 38.000 -0.326 0.000 1.386 320 I HN 0.726 nan 8.210 nan 0.000 0.476 321 F N 2.949 122.849 119.950 -0.082 0.000 2.727 321 F HA 0.212 4.757 4.527 0.030 0.000 0.302 321 F C 0.769 176.554 175.800 -0.025 0.000 1.107 321 F CA -0.200 57.755 58.000 -0.075 0.000 1.277 321 F CB 0.679 39.623 39.000 -0.093 0.000 1.079 321 F HN 0.392 nan 8.300 nan 0.000 0.594 322 Q N 0.712 120.636 119.800 0.206 0.000 2.345 322 Q HA 0.621 4.979 4.340 0.031 0.000 0.275 322 Q C -1.765 174.395 176.000 0.267 0.000 1.063 322 Q CA -0.688 55.227 55.803 0.187 0.000 0.819 322 Q CB 2.596 31.439 28.738 0.174 0.000 1.356 322 Q HN -0.101 nan 8.270 nan 0.000 0.418 323 V N 3.718 123.725 119.914 0.155 0.000 2.851 323 V HA 0.726 4.864 4.120 0.031 0.000 0.307 323 V C -1.997 174.156 176.094 0.098 0.000 1.129 323 V CA -0.229 62.191 62.300 0.200 0.000 0.932 323 V CB 2.245 34.120 31.823 0.086 0.000 1.024 323 V HN 0.829 nan 8.190 nan 0.000 0.426 324 Q N 4.568 124.502 119.800 0.223 0.000 2.309 324 Q HA 0.346 4.705 4.340 0.031 0.000 0.273 324 Q C -1.588 174.610 176.000 0.329 0.000 1.040 324 Q CA -0.290 55.659 55.803 0.243 0.000 0.834 324 Q CB 2.365 31.263 28.738 0.266 0.000 1.345 324 Q HN 0.813 nan 8.270 nan 0.000 0.414 325 W N 1.232 122.667 121.300 0.225 0.000 2.150 325 W HA 0.250 4.954 4.660 0.073 0.000 0.341 325 W C 1.244 177.540 176.519 -0.373 0.000 1.276 325 W CA 0.081 57.449 57.345 0.038 0.000 1.238 325 W CB 0.689 30.158 29.460 0.015 0.000 1.128 325 W HN 0.444 nan 8.180 nan 0.000 0.581 326 S N 3.476 118.853 115.700 -0.538 0.000 2.549 326 S HA 0.139 4.628 4.470 0.031 0.000 0.279 326 S C -1.069 173.148 174.600 -0.638 0.000 1.321 326 S CA -1.207 56.123 58.200 -1.449 0.000 1.054 326 S CB 0.870 63.207 63.200 -1.438 0.000 0.899 326 S HN 0.309 nan 8.310 nan 0.000 0.497 327 P HA 0.027 nan 4.420 nan 0.000 0.233 327 P C 0.128 177.148 177.300 -0.467 0.000 1.167 327 P CA 1.184 64.000 63.100 -0.474 0.000 0.770 327 P CB -0.099 31.252 31.700 -0.581 0.000 0.837 328 H N -2.065 116.865 119.070 -0.234 0.000 2.855 328 H HA 0.254 4.829 4.556 0.031 0.000 0.259 328 H C 0.060 175.221 175.328 -0.278 0.000 0.972 328 H CA -0.003 55.932 56.048 -0.188 0.000 1.213 328 H CB 0.184 29.774 29.762 -0.287 0.000 1.451 328 H HN 0.084 nan 8.280 nan 0.000 0.484 329 N N 1.279 119.800 118.700 -0.298 0.000 2.504 329 N HA 0.010 4.768 4.740 0.031 0.000 0.280 329 N C 0.346 175.703 175.510 -0.255 0.000 1.052 329 N CA -0.331 52.532 53.050 -0.313 0.000 0.887 329 N CB 1.687 39.996 38.487 -0.296 0.000 1.323 329 N HN 0.258 nan 8.380 nan 0.000 0.509 330 E N 0.638 120.607 120.200 -0.386 0.000 2.409 330 E HA -0.148 4.220 4.350 0.031 0.000 0.198 330 E C 0.481 177.108 176.600 0.045 0.000 1.024 330 E CA 1.202 57.471 56.400 -0.217 0.000 0.861 330 E CB -0.149 29.302 29.700 -0.416 0.000 0.788 330 E HN 0.613 nan 8.360 nan 0.000 0.521 331 T N -1.205 113.403 114.554 0.090 0.000 3.092 331 T HA 0.309 4.677 4.350 0.031 0.000 0.258 331 T C 0.637 175.518 174.700 0.302 0.000 1.031 331 T CA -0.524 61.716 62.100 0.234 0.000 0.925 331 T CB 0.019 68.992 68.868 0.175 0.000 1.036 331 T HN -0.038 nan 8.240 nan 0.000 0.544 332 I N 2.092 122.803 120.570 0.235 0.000 2.404 332 I HA 0.653 4.842 4.170 0.031 0.000 0.293 332 I C -0.723 175.474 176.117 0.133 0.000 0.992 332 I CA -1.453 59.940 61.300 0.154 0.000 1.149 332 I CB 1.579 39.529 38.000 -0.084 0.000 1.315 332 I HN 0.210 nan 8.210 nan 0.000 0.446 333 L N 5.761 127.057 121.223 0.122 0.000 2.409 333 L HA 0.917 5.276 4.340 0.031 0.000 0.262 333 L C -0.991 176.101 176.870 0.370 0.000 0.992 333 L CA -0.225 54.589 54.840 -0.042 0.000 0.817 333 L CB 2.034 43.689 42.059 -0.674 0.000 1.350 333 L HN 0.705 nan 8.230 nan 0.000 0.411 334 A N 1.819 124.951 122.820 0.519 0.000 2.469 334 A HA 0.965 5.303 4.320 0.031 0.000 0.299 334 A C -1.127 176.768 177.584 0.519 0.000 1.098 334 A CA 0.044 52.366 52.037 0.474 0.000 0.737 334 A CB 1.742 20.864 19.000 0.204 0.000 1.312 334 A HN 1.012 nan 8.150 nan 0.000 0.414 335 S N -0.045 115.901 115.700 0.411 0.000 2.564 335 S HA 0.889 5.378 4.470 0.031 0.000 0.274 335 S C -0.541 174.255 174.600 0.328 0.000 1.124 335 S CA 0.016 58.507 58.200 0.485 0.000 0.869 335 S CB 1.518 65.093 63.200 0.626 0.000 1.105 335 S HN 2.080 nan 8.310 nan 0.000 0.472 336 S N 0.164 116.027 115.700 0.272 0.000 2.588 336 S HA 1.018 5.506 4.470 0.031 0.000 0.275 336 S C 0.035 174.653 174.600 0.030 0.000 1.130 336 S CA -0.262 58.032 58.200 0.157 0.000 0.855 336 S CB 1.278 64.607 63.200 0.216 0.000 1.116 336 S HN 1.987 nan 8.310 nan 0.000 0.472 337 G N 0.443 109.254 108.800 0.018 0.000 2.539 337 G HA2 0.334 4.313 3.960 0.031 0.000 0.138 337 G HA3 0.334 4.313 3.960 0.031 0.000 0.138 337 G C 0.292 175.257 174.900 0.108 0.000 1.148 337 G CA 0.228 45.387 45.100 0.099 0.000 1.057 337 G HN 0.734 nan 8.290 nan 0.000 0.511 338 T N 1.683 116.306 114.554 0.115 0.000 2.915 338 T HA -0.023 4.346 4.350 0.031 0.000 0.269 338 T C 1.716 176.452 174.700 0.061 0.000 1.071 338 T CA 1.981 64.149 62.100 0.113 0.000 1.132 338 T CB -0.333 68.609 68.868 0.123 0.000 0.878 338 T HN 0.633 nan 8.240 nan 0.000 0.479 339 D N 1.152 121.587 120.400 0.057 0.000 2.352 339 D HA -0.068 4.590 4.640 0.031 0.000 0.232 339 D C 0.806 177.135 176.300 0.048 0.000 1.055 339 D CA -0.006 54.033 54.000 0.066 0.000 0.891 339 D CB -0.478 40.388 40.800 0.109 0.000 0.897 339 D HN 0.361 nan 8.370 nan 0.000 0.529 340 R N -1.704 118.821 120.500 0.041 0.000 3.963 340 R HA -0.133 4.226 4.340 0.031 0.000 0.394 340 R C -0.383 175.910 176.300 -0.011 0.000 1.131 340 R CA 0.675 56.779 56.100 0.008 0.000 1.059 340 R CB -1.507 28.782 30.300 -0.018 0.000 1.614 340 R HN 0.154 nan 8.270 nan 0.000 0.546 341 R N 0.884 121.410 120.500 0.042 0.000 2.589 341 R HA 0.487 4.845 4.340 0.031 0.000 0.293 341 R C -0.443 175.925 176.300 0.114 0.000 0.963 341 R CA -0.981 55.125 56.100 0.010 0.000 0.905 341 R CB 1.388 31.686 30.300 -0.003 0.000 1.144 341 R HN 0.105 nan 8.270 nan 0.000 0.459 342 L N 3.060 124.318 121.223 0.058 0.000 2.298 342 L HA 0.415 4.773 4.340 0.031 0.000 0.284 342 L C -0.883 175.991 176.870 0.005 0.000 1.013 342 L CA -0.587 54.298 54.840 0.075 0.000 0.824 342 L CB 1.006 43.137 42.059 0.120 0.000 1.221 342 L HN 0.391 nan 8.230 nan 0.000 0.418 343 N N 3.556 122.224 118.700 -0.053 0.000 2.456 343 N HA 0.459 5.218 4.740 0.031 0.000 0.288 343 N C -1.017 174.294 175.510 -0.332 0.000 1.059 343 N CA -0.314 52.516 53.050 -0.367 0.000 0.946 343 N CB 2.330 40.348 38.487 -0.782 0.000 1.150 343 N HN 0.231 nan 8.380 nan 0.000 0.479 344 V N 2.054 121.794 119.914 -0.291 0.000 2.417 344 V HA 0.492 4.631 4.120 0.031 0.000 0.291 344 V C -0.747 175.237 176.094 -0.183 0.000 1.024 344 V CA -0.815 61.475 62.300 -0.017 0.000 0.861 344 V CB 0.736 32.779 31.823 0.367 0.000 0.985 344 V HN 0.545 nan 8.190 nan 0.000 0.436 345 W N 1.865 123.236 121.300 0.117 0.000 2.627 345 W HA 0.663 5.342 4.660 0.030 0.000 0.339 345 W C -0.379 176.205 176.519 0.107 0.000 1.058 345 W CA -0.510 56.853 57.345 0.030 0.000 1.223 345 W CB 1.340 30.577 29.460 -0.371 0.000 1.389 345 W HN 0.464 nan 8.180 nan 0.000 0.541 346 D N 2.018 122.667 120.400 0.415 0.000 2.421 346 D HA 0.187 4.845 4.640 0.031 0.000 0.254 346 D C 0.269 176.773 176.300 0.340 0.000 1.238 346 D CA -0.451 53.755 54.000 0.343 0.000 0.919 346 D CB 1.401 42.386 40.800 0.308 0.000 1.152 346 D HN 0.161 nan 8.370 nan 0.000 0.552 347 L N 2.622 124.050 121.223 0.341 0.000 2.265 347 L HA -0.113 4.246 4.340 0.031 0.000 0.215 347 L C 2.473 179.451 176.870 0.179 0.000 1.117 347 L CA 1.561 56.585 54.840 0.306 0.000 0.782 347 L CB -0.923 41.339 42.059 0.339 0.000 0.914 347 L HN 0.523 nan 8.230 nan 0.000 0.441 348 S N -1.673 114.133 115.700 0.177 0.000 2.447 348 S HA -0.143 4.345 4.470 0.031 0.000 0.233 348 S C 1.828 176.495 174.600 0.111 0.000 1.006 348 S CA 0.758 59.033 58.200 0.125 0.000 0.957 348 S CB -0.299 62.972 63.200 0.118 0.000 0.773 348 S HN 0.337 nan 8.310 nan 0.000 0.507 349 K N 0.792 121.276 120.400 0.140 0.000 2.444 349 K HA 0.412 4.750 4.320 0.031 0.000 0.193 349 K C 0.496 177.160 176.600 0.107 0.000 1.024 349 K CA -0.139 56.224 56.287 0.126 0.000 1.077 349 K CB -0.824 31.767 32.500 0.151 0.000 0.833 349 K HN 0.648 nan 8.250 nan 0.000 0.517 350 I N 1.580 122.192 120.570 0.071 0.000 2.752 350 I HA 0.050 4.239 4.170 0.031 0.000 0.286 350 I C 1.528 177.658 176.117 0.022 0.000 1.180 350 I CA 1.237 62.535 61.300 -0.003 0.000 1.404 350 I CB 0.004 37.889 38.000 -0.192 0.000 1.389 350 I HN 0.562 nan 8.210 nan 0.000 0.549 351 G N 3.217 112.046 108.800 0.048 0.000 2.176 351 G HA2 -0.204 3.774 3.960 0.031 0.000 0.253 351 G HA3 -0.204 3.774 3.960 0.031 0.000 0.253 351 G C -0.067 174.860 174.900 0.045 0.000 0.979 351 G CA 0.430 45.557 45.100 0.044 0.000 0.641 351 G HN 0.941 nan 8.290 nan 0.000 0.530 362 G N -0.173 108.639 108.800 0.020 0.000 2.347 362 G HA2 0.647 4.626 3.960 0.031 0.000 0.303 362 G HA3 0.647 4.626 3.960 0.031 0.000 0.303 362 G C -2.999 171.952 174.900 0.085 0.000 1.481 362 G CA 0.226 45.353 45.100 0.044 0.000 0.914 362 G HN 0.918 nan 8.290 nan 0.000 0.638 363 P HA 0.320 nan 4.420 nan 0.000 0.272 363 P C -1.970 175.438 177.300 0.179 0.000 1.240 363 P CA -0.992 62.213 63.100 0.174 0.000 0.791 363 P CB 1.075 32.926 31.700 0.251 0.000 0.978 364 P HA -0.130 nan 4.420 nan 0.000 0.220 364 P C 1.227 178.644 177.300 0.195 0.000 1.148 364 P CA 1.319 64.505 63.100 0.143 0.000 0.803 364 P CB -0.098 31.671 31.700 0.114 0.000 0.782 365 E N -0.142 120.228 120.200 0.283 0.000 2.511 365 E HA -0.076 4.293 4.350 0.031 0.000 0.196 365 E C 0.439 177.322 176.600 0.471 0.000 1.066 365 E CA 0.046 56.681 56.400 0.392 0.000 0.871 365 E CB -0.707 29.289 29.700 0.493 0.000 0.863 365 E HN 0.200 nan 8.360 nan 0.000 0.520 366 L N 2.211 123.637 121.223 0.338 0.000 2.407 366 L HA 0.069 4.427 4.340 0.031 0.000 0.282 366 L C 0.869 177.755 176.870 0.027 0.000 1.110 366 L CA -0.173 54.687 54.840 0.033 0.000 0.863 366 L CB 0.804 42.779 42.059 -0.139 0.000 1.207 366 L HN 0.064 nan 8.230 nan 0.000 0.454 367 L N 6.144 127.399 121.223 0.054 0.000 2.162 367 L HA 0.366 4.725 4.340 0.031 0.000 0.205 367 L C -0.231 176.759 176.870 0.199 0.000 1.086 367 L CA 1.083 56.018 54.840 0.159 0.000 0.778 367 L CB -0.037 42.179 42.059 0.262 0.000 0.928 367 L HN 0.585 nan 8.230 nan 0.000 0.446 368 F N -0.756 119.145 119.950 -0.082 0.000 2.635 368 F HA 0.481 5.027 4.527 0.030 0.000 0.314 368 F C -1.346 174.367 175.800 -0.145 0.000 1.119 368 F CA -1.204 56.757 58.000 -0.064 0.000 1.000 368 F CB 1.263 40.300 39.000 0.061 0.000 1.278 368 F HN -0.263 nan 8.300 nan 0.000 0.446 369 I N 5.143 125.282 120.570 -0.718 0.000 2.355 369 I HA 0.205 4.394 4.170 0.031 0.000 0.288 369 I C -0.861 174.777 176.117 -0.798 0.000 0.999 369 I CA -0.810 60.143 61.300 -0.579 0.000 1.163 369 I CB 1.273 39.008 38.000 -0.443 0.000 1.316 369 I HN 0.545 nan 8.210 nan 0.000 0.454 370 H N 5.508 124.308 119.070 -0.450 0.000 2.864 370 H HA 0.345 4.919 4.556 0.031 0.000 0.281 370 H C 0.809 175.937 175.328 -0.333 0.000 1.093 370 H CA -0.626 55.221 56.048 -0.335 0.000 1.453 370 H CB 1.141 30.590 29.762 -0.523 0.000 1.462 370 H HN 0.680 nan 8.280 nan 0.000 0.480 371 G N 2.809 111.189 108.800 -0.699 0.000 3.605 371 G HA2 0.104 4.082 3.960 0.031 0.000 0.277 371 G HA3 0.104 4.082 3.960 0.031 0.000 0.277 371 G C 1.327 175.339 174.900 -1.479 0.000 1.093 371 G CA 0.112 44.748 45.100 -0.772 0.000 0.821 371 G HN 0.764 nan 8.290 nan 0.000 0.532 372 G N -0.201 107.293 108.800 -2.175 0.000 2.511 372 G HA2 -0.002 3.976 3.960 0.031 0.000 0.217 372 G HA3 -0.002 3.976 3.960 0.031 0.000 0.217 372 G C 0.626 174.721 174.900 -1.342 0.000 1.133 372 G CA -0.012 43.569 45.100 -2.532 0.000 0.792 372 G HN 0.468 nan 8.290 nan 0.000 0.539 373 H N 0.043 118.681 119.070 -0.720 0.000 2.511 373 H HA 0.282 4.856 4.556 0.031 0.000 0.346 373 H C 0.507 175.677 175.328 -0.263 0.000 1.128 373 H CA 0.915 56.758 56.048 -0.342 0.000 1.342 373 H CB 1.525 31.172 29.762 -0.192 0.000 1.470 373 H HN 0.125 nan 8.280 nan 0.000 0.546 374 T N -0.971 113.531 114.554 -0.087 0.000 3.228 374 T HA 0.617 4.985 4.350 0.031 0.000 0.278 374 T C 0.289 174.951 174.700 -0.063 0.000 1.014 374 T CA -0.386 61.648 62.100 -0.110 0.000 0.904 374 T CB 0.087 68.816 68.868 -0.232 0.000 1.110 374 T HN 0.674 nan 8.240 nan 0.000 0.541 375 A N 1.062 123.872 122.820 -0.016 0.000 2.599 375 A HA 0.685 5.023 4.320 0.031 0.000 0.290 375 A C -0.728 176.855 177.584 -0.001 0.000 1.101 375 A CA -1.199 50.832 52.037 -0.010 0.000 0.674 375 A CB 1.080 20.073 19.000 -0.012 0.000 1.277 375 A HN 0.319 nan 8.150 nan 0.000 0.419 376 K N 0.918 121.320 120.400 0.003 0.000 2.530 376 K HA 0.102 4.440 4.320 0.031 0.000 0.280 376 K C -0.808 175.776 176.600 -0.027 0.000 1.004 376 K CA 0.484 56.779 56.287 0.013 0.000 1.071 376 K CB -0.102 32.419 32.500 0.035 0.000 0.876 376 K HN 0.461 nan 8.250 nan 0.000 0.487 377 I N 4.371 124.922 120.570 -0.032 0.000 2.371 377 I HA -0.031 4.157 4.170 0.031 0.000 0.290 377 I C 0.966 177.083 176.117 -0.001 0.000 1.028 377 I CA -0.125 61.115 61.300 -0.099 0.000 1.345 377 I CB 1.697 39.630 38.000 -0.112 0.000 1.407 377 I HN 0.748 nan 8.210 nan 0.000 0.501 378 S N 3.073 118.758 115.700 -0.025 0.000 2.439 378 S HA 0.056 4.545 4.470 0.031 0.000 0.224 378 S C 0.202 174.816 174.600 0.024 0.000 1.029 378 S CA 0.384 58.567 58.200 -0.029 0.000 0.946 378 S CB 0.038 63.210 63.200 -0.046 0.000 0.797 378 S HN 0.725 nan 8.310 nan 0.000 0.504 379 D N -1.047 119.395 120.400 0.071 0.000 2.653 379 D HA 0.526 5.184 4.640 0.031 0.000 0.258 379 D C -1.706 174.715 176.300 0.202 0.000 1.252 379 D CA -0.665 53.389 54.000 0.091 0.000 0.777 379 D CB 1.650 42.459 40.800 0.015 0.000 1.339 379 D HN 0.098 nan 8.370 nan 0.000 0.422 380 F N -0.657 119.308 119.950 0.026 0.000 2.686 380 F HA 0.791 5.335 4.527 0.029 0.000 0.311 380 F C -1.405 174.413 175.800 0.029 0.000 1.128 380 F CA -0.778 57.230 58.000 0.014 0.000 0.946 380 F CB 1.692 40.707 39.000 0.025 0.000 1.336 380 F HN 0.136 nan 8.300 nan 0.000 0.457 381 S N 0.749 116.531 115.700 0.137 0.000 2.546 381 S HA 0.519 5.007 4.470 0.031 0.000 0.272 381 S C -2.063 172.815 174.600 0.463 0.000 1.140 381 S CA -0.567 57.743 58.200 0.184 0.000 0.920 381 S CB 0.647 63.936 63.200 0.149 0.000 1.083 381 S HN 0.664 nan 8.310 nan 0.000 0.476 382 W N 3.676 125.191 121.300 0.359 0.000 2.238 382 W HA 0.349 5.035 4.660 0.042 0.000 0.321 382 W C 1.023 177.629 176.519 0.145 0.000 1.293 382 W CA -0.215 57.270 57.345 0.235 0.000 1.204 382 W CB 0.454 29.975 29.460 0.101 0.000 1.167 382 W HN 0.606 nan 8.180 nan 0.000 0.553 383 N N 5.248 123.962 118.700 0.023 0.000 2.468 383 N HA 0.013 4.771 4.740 0.031 0.000 0.265 383 N C -1.326 174.095 175.510 -0.149 0.000 1.199 383 N CA -0.819 51.788 53.050 -0.738 0.000 0.928 383 N CB 1.322 39.206 38.487 -1.005 0.000 1.059 383 N HN 0.185 nan 8.380 nan 0.000 0.467 384 P HA 0.080 nan 4.420 nan 0.000 0.255 384 P C 0.013 177.393 177.300 0.133 0.000 1.248 384 P CA 0.516 63.627 63.100 0.019 0.000 0.807 384 P CB 0.652 32.385 31.700 0.056 0.000 1.150 385 N N -0.332 118.418 118.700 0.084 0.000 2.257 385 N HA 0.048 4.806 4.740 0.031 0.000 0.200 385 N C -0.111 175.431 175.510 0.054 0.000 1.163 385 N CA 0.296 53.407 53.050 0.103 0.000 0.891 385 N CB 0.795 39.327 38.487 0.075 0.000 1.067 385 N HN 0.067 nan 8.380 nan 0.000 0.497 386 E N 1.406 121.595 120.200 -0.018 0.000 2.331 386 E HA 0.376 4.745 4.350 0.031 0.000 0.243 386 E C -2.731 173.797 176.600 -0.120 0.000 0.925 386 E CA -2.287 54.060 56.400 -0.088 0.000 0.760 386 E CB 1.664 31.268 29.700 -0.160 0.000 1.254 386 E HN -0.057 nan 8.360 nan 0.000 0.419 387 P HA -0.007 nan 4.420 nan 0.000 0.266 387 P C -0.470 176.887 177.300 0.094 0.000 1.195 387 P CA 0.377 63.286 63.100 -0.319 0.000 0.768 387 P CB 0.252 31.703 31.700 -0.416 0.000 0.838 388 W N -0.594 120.724 121.300 0.030 0.000 2.062 388 W HA -0.208 4.473 4.660 0.034 0.000 0.257 388 W C -0.272 176.223 176.519 -0.040 0.000 1.024 388 W CA -0.007 57.377 57.345 0.064 0.000 0.471 388 W CB -2.297 27.072 29.460 -0.153 0.000 2.039 388 W HN 0.052 nan 8.180 nan 0.000 1.321 389 V N 2.608 122.569 119.914 0.078 0.000 2.530 389 V HA 0.349 4.488 4.120 0.031 0.000 0.282 389 V C 0.680 176.665 176.094 -0.182 0.000 1.048 389 V CA -0.057 62.179 62.300 -0.107 0.000 0.997 389 V CB 0.959 32.683 31.823 -0.164 0.000 0.987 389 V HN 0.014 nan 8.190 nan 0.000 0.477 390 I N 4.127 124.394 120.570 -0.505 0.000 2.569 390 I HA 0.418 4.607 4.170 0.031 0.000 0.296 390 I C -0.437 175.573 176.117 -0.178 0.000 1.028 390 I CA -0.349 60.652 61.300 -0.498 0.000 1.082 390 I CB 2.001 39.295 38.000 -1.176 0.000 1.264 390 I HN 0.651 nan 8.210 nan 0.000 0.429 391 C N 5.407 124.827 119.300 0.199 0.000 2.303 391 C HA 0.779 5.258 4.460 0.031 0.000 0.326 391 C C 0.184 175.276 174.990 0.171 0.000 1.285 391 C CA -0.226 58.847 59.018 0.091 0.000 1.675 391 C CB -0.239 27.307 27.740 -0.323 0.000 2.289 391 C HN 0.820 nan 8.230 nan 0.000 0.512 392 S N 5.276 121.166 115.700 0.317 0.000 2.538 392 S HA 0.794 5.282 4.470 0.031 0.000 0.288 392 S C -0.799 173.953 174.600 0.254 0.000 1.108 392 S CA -0.588 57.824 58.200 0.353 0.000 0.971 392 S CB 1.274 64.791 63.200 0.529 0.000 1.041 392 S HN 1.625 nan 8.310 nan 0.000 0.483 393 V N 0.191 120.149 119.914 0.073 0.000 2.540 393 V HA 0.959 5.097 4.120 0.031 0.000 0.302 393 V C -0.174 175.867 176.094 -0.088 0.000 1.035 393 V CA -0.550 61.777 62.300 0.045 0.000 0.873 393 V CB 0.855 32.706 31.823 0.046 0.000 0.992 393 V HN 1.180 nan 8.190 nan 0.000 0.428 394 S N 1.936 117.609 115.700 -0.045 0.000 2.671 394 S HA 0.534 5.023 4.470 0.031 0.000 0.299 394 S C 0.413 175.022 174.600 0.015 0.000 1.116 394 S CA -0.722 57.438 58.200 -0.067 0.000 0.912 394 S CB 1.882 65.046 63.200 -0.061 0.000 1.130 394 S HN 0.748 nan 8.310 nan 0.000 0.501 395 E N 0.691 120.896 120.200 0.008 0.000 2.333 395 E HA -0.132 4.237 4.350 0.031 0.000 0.198 395 E C 0.132 176.743 176.600 0.018 0.000 1.007 395 E CA 1.211 57.626 56.400 0.024 0.000 0.845 395 E CB -0.204 29.504 29.700 0.013 0.000 0.766 395 E HN 0.754 nan 8.360 nan 0.000 0.507 396 D N -0.737 119.669 120.400 0.010 0.000 2.427 396 D HA 0.019 4.677 4.640 0.031 0.000 0.224 396 D C -0.155 176.137 176.300 -0.014 0.000 1.157 396 D CA -0.316 53.676 54.000 -0.014 0.000 0.828 396 D CB 0.009 40.786 40.800 -0.039 0.000 0.974 396 D HN -0.072 nan 8.370 nan 0.000 0.498 397 N N -0.844 117.866 118.700 0.017 0.000 2.994 397 N HA -0.141 4.618 4.740 0.031 0.000 0.221 397 N C -0.592 174.937 175.510 0.031 0.000 0.900 397 N CA 0.516 53.576 53.050 0.017 0.000 1.008 397 N CB -1.168 37.295 38.487 -0.041 0.000 1.053 397 N HN 0.302 nan 8.380 nan 0.000 0.580 398 I N 1.444 122.050 120.570 0.060 0.000 2.496 398 I HA 0.186 4.375 4.170 0.031 0.000 0.285 398 I C 0.793 177.024 176.117 0.189 0.000 1.080 398 I CA 0.190 61.550 61.300 0.100 0.000 1.404 398 I CB 0.522 38.585 38.000 0.105 0.000 1.403 398 I HN 0.230 nan 8.210 nan 0.000 0.539 399 M N 6.953 126.665 119.600 0.187 0.000 2.311 399 M HA 0.362 4.860 4.480 0.031 0.000 0.325 399 M C -1.208 175.237 176.300 0.242 0.000 1.061 399 M CA -0.455 54.983 55.300 0.229 0.000 0.957 399 M CB 1.563 34.265 32.600 0.171 0.000 1.646 399 M HN 0.546 nan 8.290 nan 0.000 0.434 400 Q N 3.139 123.131 119.800 0.319 0.000 2.337 400 Q HA 0.640 4.999 4.340 0.031 0.000 0.266 400 Q C -1.482 174.755 176.000 0.395 0.000 1.023 400 Q CA -0.933 55.063 55.803 0.321 0.000 0.829 400 Q CB 3.244 32.144 28.738 0.271 0.000 1.306 400 Q HN 0.594 nan 8.270 nan 0.000 0.449 401 V N 3.897 124.012 119.914 0.336 0.000 2.409 401 V HA 0.573 4.712 4.120 0.031 0.000 0.291 401 V C -0.795 175.491 176.094 0.321 0.000 1.020 401 V CA -0.586 61.883 62.300 0.281 0.000 0.848 401 V CB 0.709 32.684 31.823 0.253 0.000 0.990 401 V HN 0.708 nan 8.190 nan 0.000 0.430 402 W N 3.678 125.046 121.300 0.114 0.000 3.075 402 W HA 0.745 5.425 4.660 0.032 0.000 0.334 402 W C -1.512 175.099 176.519 0.154 0.000 1.243 402 W CA -0.951 56.458 57.345 0.107 0.000 1.170 402 W CB 2.143 31.622 29.460 0.031 0.000 1.452 402 W HN 0.530 nan 8.180 nan 0.000 0.572 403 Q N 2.828 122.927 119.800 0.497 0.000 2.263 403 Q HA 0.315 4.674 4.340 0.031 0.000 0.262 403 Q C -0.269 175.969 176.000 0.397 0.000 0.984 403 Q CA -0.553 55.430 55.803 0.300 0.000 0.813 403 Q CB 2.495 31.350 28.738 0.195 0.000 1.299 403 Q HN 0.582 nan 8.270 nan 0.000 0.428 404 M N 1.386 121.106 119.600 0.200 0.000 2.240 404 M HA 0.514 5.013 4.480 0.031 0.000 0.317 404 M C 0.116 176.311 176.300 -0.175 0.000 1.087 404 M CA -0.014 55.102 55.300 -0.306 0.000 1.176 404 M CB 0.501 32.517 32.600 -0.973 0.000 1.439 404 M HN 0.560 nan 8.290 nan 0.000 0.452 405 A N 1.700 124.354 122.820 -0.277 0.000 2.540 405 A HA 0.011 4.349 4.320 0.031 0.000 0.239 405 A C 1.078 178.392 177.584 -0.449 0.000 1.061 405 A CA 0.105 52.001 52.037 -0.234 0.000 0.758 405 A CB -0.122 18.761 19.000 -0.194 0.000 0.991 405 A HN 1.083 nan 8.150 nan 0.000 0.502 406 E N 2.074 121.990 120.200 -0.474 0.000 2.110 406 E HA -0.238 4.131 4.350 0.031 0.000 0.193 406 E C 1.491 177.533 176.600 -0.930 0.000 0.988 406 E CA 1.451 57.304 56.400 -0.912 0.000 0.804 406 E CB -0.118 29.321 29.700 -0.435 0.000 0.745 406 E HN 0.912 nan 8.360 nan 0.000 0.458 407 N N 1.007 119.408 118.700 -0.498 0.000 2.585 407 N HA -0.175 4.583 4.740 0.031 0.000 0.188 407 N C 1.612 176.906 175.510 -0.360 0.000 1.102 407 N CA 0.859 53.692 53.050 -0.361 0.000 0.920 407 N CB -0.421 37.940 38.487 -0.210 0.000 0.963 407 N HN 0.350 nan 8.380 nan 0.000 0.447 408 I N -0.195 120.095 120.570 -0.467 0.000 2.400 408 I HA -0.162 4.026 4.170 0.031 0.000 0.248 408 I C 1.908 177.863 176.117 -0.270 0.000 1.109 408 I CA 0.869 61.992 61.300 -0.295 0.000 1.425 408 I CB -0.199 37.698 38.000 -0.172 0.000 1.094 408 I HN 0.080 nan 8.210 nan 0.000 0.425 409 Y N -0.285 119.802 120.300 -0.355 0.000 2.476 409 Y HA 0.277 4.846 4.550 0.033 0.000 0.283 409 Y C 1.064 176.840 175.900 -0.207 0.000 1.109 409 Y CA -0.521 57.365 58.100 -0.357 0.000 1.246 409 Y CB -0.590 37.340 38.460 -0.883 0.000 1.068 409 Y HN 0.099 nan 8.280 nan 0.000 0.552 410 N N 0.000 118.482 118.700 -0.364 0.000 1.763 410 N HA 0.000 4.759 4.740 0.031 0.000 0.220 410 N CA 0.000 52.960 53.050 -0.150 0.000 0.885 410 N CB 0.000 38.436 38.487 -0.084 0.000 1.341 410 N HN 0.000 nan 8.380 nan 0.000 0.667