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 2w1a_1_B DATA FIRST_RESID 3 DATA SEQUENCE WTVDIPIDXX XXLPPLPTDL RTRLDAALAK PAAQQPTWPA DQALAMRTVL DATA SEQUENCE ESVPPVTVPS EIVRLQEQLA QVAKGEAFLL QGGDCAETFM DNTEPHIRGN DATA SEQUENCE VRALLQMAVV LTYGASMPVV KVARIAGQYA KPRSADIDAL GLRSYRGDMI DATA SEQUENCE NGFAPDAAAR EHDPSRLVRA YANASAAMNL VRALTSSGLA SLHLVHDWNR DATA SEQUENCE EFVRTSPAGA RYEALATEID RGLRFMSACG VXXXXXXXAE IYASHEALVL DATA SEQUENCE DYERAMLRLS DGDDGEPQLF DLSAHTVWIG ERTRQIDGAH IAFAQVIANP DATA SEQUENCE VGVKLGPNMT PELAVEYVER LDPHNKPGRL TLVSRMGNHK VRDLLPPIVE DATA SEQUENCE KVQATGHQVI WQCDPMHGNT HESSTGFKTR HFDRIVDEVQ GFFEVHRALG DATA SEQUENCE THPGGIHVEI TGENVTECLG GAQDISETDL AGRYETACDP RLNTQQSLEL DATA SEQUENCE AFLVAEMLRD 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 3 W HA 0.000 nan 4.660 nan 0.000 0.303 3 W C 0.000 176.518 176.519 -0.001 0.000 1.175 3 W CA 0.000 57.346 57.345 0.001 0.000 1.226 3 W CB 0.000 29.462 29.460 0.003 0.000 1.126 4 T N 0.658 115.238 114.554 0.043 0.000 2.916 4 T HA 0.595 4.945 4.350 -0.000 0.000 0.298 4 T C -0.904 173.786 174.700 -0.017 0.000 1.031 4 T CA -0.441 61.614 62.100 -0.076 0.000 0.993 4 T CB 2.449 71.274 68.868 -0.072 0.000 1.045 4 T HN -0.099 nan 8.240 nan 0.000 0.454 5 V N 2.604 122.490 119.914 -0.047 0.000 2.732 5 V HA 0.442 4.562 4.120 -0.000 0.000 0.297 5 V C -0.298 175.780 176.094 -0.027 0.000 1.060 5 V CA -0.310 61.972 62.300 -0.029 0.000 1.038 5 V CB 1.313 33.112 31.823 -0.040 0.000 1.003 5 V HN 0.949 nan 8.190 nan 0.000 0.481 6 D N 3.387 123.779 120.400 -0.014 0.000 2.375 6 D HA 0.638 5.277 4.640 -0.000 0.000 0.247 6 D C -0.667 175.623 176.300 -0.017 0.000 1.061 6 D CA -0.017 53.975 54.000 -0.014 0.000 0.834 6 D CB 1.778 42.577 40.800 -0.002 0.000 1.247 6 D HN 0.311 nan 8.370 nan 0.000 0.489 7 I N 3.132 123.688 120.570 -0.024 0.000 2.478 7 I HA 0.318 4.488 4.170 -0.000 0.000 0.287 7 I C -2.111 173.991 176.117 -0.026 0.000 1.042 7 I CA -1.789 59.495 61.300 -0.025 0.000 1.067 7 I CB 1.911 39.891 38.000 -0.033 0.000 1.233 7 I HN 0.140 nan 8.210 nan 0.000 0.431 8 P HA 0.479 nan 4.420 nan 0.000 0.281 8 P C 0.241 177.525 177.300 -0.026 0.000 1.249 8 P CA -0.373 62.715 63.100 -0.021 0.000 0.810 8 P CB 2.043 33.733 31.700 -0.016 0.000 1.008 9 I N -0.379 120.175 120.570 -0.026 0.000 3.194 9 I HA -0.018 4.152 4.170 -0.000 0.000 0.271 9 I C 0.986 177.089 176.117 -0.024 0.000 1.150 9 I CA -0.049 61.233 61.300 -0.029 0.000 1.440 9 I CB -0.379 37.602 38.000 -0.031 0.000 1.276 9 I HN 0.457 nan 8.210 nan 0.000 0.457 16 P HA 0.340 nan 4.420 nan 0.000 0.265 16 P C -2.486 174.811 177.300 -0.005 0.000 1.187 16 P CA -0.484 62.612 63.100 -0.006 0.000 0.766 16 P CB -0.410 31.287 31.700 -0.005 0.000 0.820 17 P HA 0.168 nan 4.420 nan 0.000 0.275 17 P C -0.209 177.090 177.300 -0.002 0.000 1.227 17 P CA -0.356 62.742 63.100 -0.003 0.000 0.781 17 P CB 0.502 32.200 31.700 -0.003 0.000 0.906 18 L N 3.630 124.852 121.223 -0.002 0.000 2.499 18 L HA 0.085 4.425 4.340 -0.000 0.000 0.281 18 L C -1.651 175.217 176.870 -0.003 0.000 1.234 18 L CA -1.428 53.411 54.840 -0.002 0.000 0.839 18 L CB -0.698 41.359 42.059 -0.004 0.000 1.104 18 L HN 0.299 nan 8.230 nan 0.000 0.500 19 P HA -0.010 nan 4.420 nan 0.000 0.265 19 P C 0.615 177.911 177.300 -0.006 0.000 1.187 19 P CA 0.039 63.137 63.100 -0.004 0.000 0.766 19 P CB 0.443 32.141 31.700 -0.005 0.000 0.820 20 T N 0.394 114.945 114.554 -0.005 0.000 2.737 20 T HA -0.196 4.154 4.350 -0.000 0.000 0.269 20 T C 1.272 175.968 174.700 -0.006 0.000 1.040 20 T CA 1.932 64.030 62.100 -0.005 0.000 1.142 20 T CB -0.639 68.227 68.868 -0.003 0.000 0.861 20 T HN 0.634 nan 8.240 nan 0.000 0.456 21 D N 1.582 121.978 120.400 -0.008 0.000 2.149 21 D HA -0.059 4.581 4.640 -0.000 0.000 0.201 21 D C 2.139 178.429 176.300 -0.016 0.000 0.972 21 D CA 0.698 54.692 54.000 -0.010 0.000 0.835 21 D CB -0.654 40.141 40.800 -0.009 0.000 0.966 21 D HN 0.358 nan 8.370 nan 0.000 0.476 22 L N -0.136 121.076 121.223 -0.020 0.000 2.056 22 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 22 L C 2.855 179.710 176.870 -0.025 0.000 1.078 22 L CA 0.761 55.582 54.840 -0.030 0.000 0.749 22 L CB -0.462 41.577 42.059 -0.033 0.000 0.901 22 L HN 0.033 nan 8.230 nan 0.000 0.433 23 R N 0.614 121.105 120.500 -0.014 0.000 2.083 23 R HA -0.153 4.187 4.340 -0.000 0.000 0.237 23 R C 2.168 178.465 176.300 -0.005 0.000 1.137 23 R CA 2.438 58.533 56.100 -0.007 0.000 0.951 23 R CB -1.194 29.104 30.300 -0.003 0.000 0.851 23 R HN 0.187 nan 8.270 nan 0.000 0.434 24 T N 0.865 115.415 114.554 -0.006 0.000 2.720 24 T HA -0.094 4.255 4.350 -0.000 0.000 0.268 24 T C 1.845 176.542 174.700 -0.005 0.000 1.037 24 T CA 1.671 63.768 62.100 -0.004 0.000 1.144 24 T CB -0.162 68.703 68.868 -0.005 0.000 0.864 24 T HN 0.315 nan 8.240 nan 0.000 0.444 25 R N 0.049 120.541 120.500 -0.013 0.000 2.090 25 R HA 0.077 4.417 4.340 -0.000 0.000 0.228 25 R C 2.395 178.684 176.300 -0.018 0.000 1.110 25 R CA 0.729 56.818 56.100 -0.019 0.000 0.973 25 R CB -0.581 29.699 30.300 -0.033 0.000 0.869 25 R HN 0.248 nan 8.270 nan 0.000 0.440 26 L N 1.754 122.964 121.223 -0.022 0.000 1.994 26 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 26 L C 1.389 178.277 176.870 0.031 0.000 1.071 26 L CA 1.968 56.805 54.840 -0.005 0.000 0.745 26 L CB -0.590 41.465 42.059 -0.007 0.000 0.892 26 L HN 0.016 nan 8.230 nan 0.000 0.431 27 D N -0.060 120.353 120.400 0.021 0.000 2.133 27 D HA -0.216 4.424 4.640 -0.000 0.000 0.195 27 D C 2.169 178.483 176.300 0.024 0.000 0.997 27 D CA 1.713 55.727 54.000 0.024 0.000 0.840 27 D CB -0.282 40.527 40.800 0.015 0.000 0.947 27 D HN 0.515 nan 8.370 nan 0.000 0.452 28 A N 0.769 123.599 122.820 0.017 0.000 1.898 28 A HA 0.004 4.324 4.320 -0.000 0.000 0.216 28 A C 2.312 179.911 177.584 0.025 0.000 1.181 28 A CA 2.150 54.197 52.037 0.016 0.000 0.620 28 A CB -0.729 18.276 19.000 0.008 0.000 0.819 28 A HN 0.234 nan 8.150 nan 0.000 0.442 29 A N -0.171 122.670 122.820 0.034 0.000 1.908 29 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 29 A C 2.073 179.695 177.584 0.063 0.000 1.181 29 A CA 1.588 53.660 52.037 0.058 0.000 0.627 29 A CB -0.589 18.462 19.000 0.084 0.000 0.818 29 A HN 0.477 nan 8.150 nan 0.000 0.445 30 L N -1.105 120.158 121.223 0.066 0.000 2.395 30 L HA 0.004 4.344 4.340 -0.000 0.000 0.218 30 L C 2.670 179.551 176.870 0.018 0.000 1.130 30 L CA 0.556 55.421 54.840 0.041 0.000 0.826 30 L CB -0.270 41.822 42.059 0.056 0.000 0.941 30 L HN 0.420 nan 8.230 nan 0.000 0.451 31 A N -0.313 122.520 122.820 0.021 0.000 2.169 31 A HA -0.000 4.320 4.320 -0.000 0.000 0.212 31 A C 1.079 178.671 177.584 0.013 0.000 1.153 31 A CA 0.288 52.334 52.037 0.015 0.000 0.756 31 A CB -0.132 18.877 19.000 0.015 0.000 0.813 31 A HN 0.213 nan 8.150 nan 0.000 0.471 32 K N 0.723 121.132 120.400 0.016 0.000 2.219 32 K HA 0.329 4.648 4.320 -0.000 0.000 0.258 32 K C -2.590 174.018 176.600 0.014 0.000 1.008 32 K CA -1.748 54.550 56.287 0.018 0.000 0.928 32 K CB 0.064 32.580 32.500 0.027 0.000 0.983 32 K HN 0.060 nan 8.250 nan 0.000 0.484 33 P HA 0.084 nan 4.420 nan 0.000 0.271 33 P C -1.559 175.764 177.300 0.038 0.000 1.218 33 P CA -0.272 62.842 63.100 0.024 0.000 0.780 33 P CB 0.951 32.667 31.700 0.027 0.000 0.901 34 A N 1.975 124.817 122.820 0.036 0.000 2.353 34 A HA 0.683 5.003 4.320 -0.000 0.000 0.299 34 A C -0.179 177.465 177.584 0.101 0.000 1.089 34 A CA -0.680 51.403 52.037 0.076 0.000 0.736 34 A CB 1.014 19.994 19.000 -0.033 0.000 1.195 34 A HN 0.563 nan 8.150 nan 0.000 0.447 35 A N 1.984 124.888 122.820 0.141 0.000 2.332 35 A HA 0.564 4.884 4.320 -0.000 0.000 0.258 35 A C 0.687 178.305 177.584 0.057 0.000 1.087 35 A CA 0.035 52.109 52.037 0.062 0.000 0.802 35 A CB 0.032 19.042 19.000 0.016 0.000 1.042 35 A HN 1.318 nan 8.150 nan 0.000 0.489 36 Q N -1.231 118.568 119.800 -0.002 0.000 2.503 36 Q HA -0.137 4.203 4.340 -0.000 0.000 0.267 36 Q C -0.499 175.472 176.000 -0.048 0.000 1.030 36 Q CA 1.008 56.790 55.803 -0.035 0.000 1.041 36 Q CB -1.674 27.022 28.738 -0.069 0.000 1.406 36 Q HN 0.845 nan 8.270 nan 0.000 0.524 37 Q N 0.425 120.196 119.800 -0.047 0.000 2.259 37 Q HA 0.482 4.822 4.340 -0.000 0.000 0.246 37 Q C -1.868 174.010 176.000 -0.203 0.000 0.920 37 Q CA -1.746 53.991 55.803 -0.109 0.000 0.895 37 Q CB 0.301 28.990 28.738 -0.080 0.000 1.220 37 Q HN 0.030 nan 8.270 nan 0.000 0.439 38 P HA 0.018 nan 4.420 nan 0.000 0.269 38 P C 0.288 177.293 177.300 -0.491 0.000 1.215 38 P CA 0.116 62.844 63.100 -0.619 0.000 0.780 38 P CB 0.385 31.005 31.700 -1.799 0.000 0.898 39 T N -2.799 111.626 114.554 -0.214 0.000 3.214 39 T HA 0.204 4.553 4.350 -0.000 0.000 0.264 39 T C 0.063 174.732 174.700 -0.051 0.000 1.012 39 T CA -0.723 61.264 62.100 -0.189 0.000 0.901 39 T CB -0.900 67.826 68.868 -0.236 0.000 1.070 39 T HN 0.382 nan 8.240 nan 0.000 0.561 40 W N 1.556 122.909 121.300 0.089 0.000 2.093 40 W HA 0.645 5.305 4.660 -0.000 0.000 0.352 40 W C -2.800 173.739 176.519 0.033 0.000 1.294 40 W CA -3.400 53.981 57.345 0.060 0.000 1.290 40 W CB -1.207 28.300 29.460 0.077 0.000 1.149 40 W HN -0.085 nan 8.180 nan 0.000 0.606 41 P HA 0.197 nan 4.420 nan 0.000 0.269 41 P C 0.640 178.050 177.300 0.184 0.000 1.209 41 P CA 0.282 63.494 63.100 0.187 0.000 0.776 41 P CB 0.860 32.623 31.700 0.106 0.000 0.876 42 A N 3.054 125.954 122.820 0.134 0.000 1.933 42 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 42 A C 1.780 179.395 177.584 0.053 0.000 1.175 42 A CA 1.836 53.937 52.037 0.107 0.000 0.628 42 A CB -1.045 18.001 19.000 0.077 0.000 0.814 42 A HN 0.705 nan 8.150 nan 0.000 0.444 43 D N -0.361 120.059 120.400 0.034 0.000 2.144 43 D HA -0.228 4.412 4.640 -0.000 0.000 0.200 43 D C 1.790 178.075 176.300 -0.024 0.000 0.978 43 D CA 1.555 55.558 54.000 0.006 0.000 0.833 43 D CB -0.677 40.128 40.800 0.008 0.000 0.961 43 D HN 0.638 nan 8.370 nan 0.000 0.470 44 Q N 0.450 120.228 119.800 -0.037 0.000 2.083 44 Q HA 0.050 4.390 4.340 -0.000 0.000 0.198 44 Q C 2.495 178.383 176.000 -0.186 0.000 0.969 44 Q CA 1.278 57.020 55.803 -0.101 0.000 0.838 44 Q CB -0.165 28.510 28.738 -0.105 0.000 0.900 44 Q HN 0.398 nan 8.270 nan 0.000 0.436 45 A N 1.207 123.911 122.820 -0.194 0.000 1.883 45 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 45 A C 2.084 179.606 177.584 -0.104 0.000 1.186 45 A CA 1.393 53.300 52.037 -0.218 0.000 0.624 45 A CB -0.742 18.261 19.000 0.004 0.000 0.822 45 A HN 0.367 nan 8.150 nan 0.000 0.444 46 L N -0.263 120.932 121.223 -0.047 0.000 2.042 46 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 46 L C 2.622 179.461 176.870 -0.052 0.000 1.076 46 L CA 2.300 57.121 54.840 -0.032 0.000 0.749 46 L CB -0.720 41.332 42.059 -0.012 0.000 0.893 46 L HN 0.345 nan 8.230 nan 0.000 0.432 47 A N -0.818 121.962 122.820 -0.066 0.000 1.902 47 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 47 A C 2.194 179.726 177.584 -0.086 0.000 1.181 47 A CA 2.041 54.037 52.037 -0.069 0.000 0.623 47 A CB -0.511 18.448 19.000 -0.068 0.000 0.818 47 A HN 0.485 nan 8.150 nan 0.000 0.443 48 M N -0.475 119.054 119.600 -0.118 0.000 2.175 48 M HA -0.066 4.414 4.480 -0.000 0.000 0.264 48 M C 2.126 178.366 176.300 -0.099 0.000 1.063 48 M CA 1.287 56.511 55.300 -0.127 0.000 1.119 48 M CB -1.171 31.311 32.600 -0.196 0.000 1.377 48 M HN 0.413 nan 8.290 nan 0.000 0.415 49 R N -0.679 119.771 120.500 -0.084 0.000 2.115 49 R HA -0.055 4.284 4.340 -0.000 0.000 0.230 49 R C 2.097 178.352 176.300 -0.075 0.000 1.111 49 R CA 1.589 57.649 56.100 -0.067 0.000 0.976 49 R CB -0.629 29.649 30.300 -0.038 0.000 0.870 49 R HN 0.382 nan 8.270 nan 0.000 0.445 50 T N 0.812 115.325 114.554 -0.067 0.000 2.821 50 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 50 T C 2.045 176.697 174.700 -0.079 0.000 1.046 50 T CA 1.038 63.100 62.100 -0.064 0.000 1.139 50 T CB -0.128 68.710 68.868 -0.050 0.000 0.871 50 T HN -0.017 nan 8.240 nan 0.000 0.454 51 V N 1.660 121.522 119.914 -0.088 0.000 2.295 51 V HA -0.105 4.014 4.120 -0.000 0.000 0.246 51 V C 2.439 178.441 176.094 -0.152 0.000 1.049 51 V CA 1.503 63.742 62.300 -0.102 0.000 1.024 51 V CB -0.619 31.149 31.823 -0.092 0.000 0.648 51 V HN 0.458 nan 8.190 nan 0.000 0.447 52 L N -0.470 120.648 121.223 -0.175 0.000 2.362 52 L HA -0.122 4.218 4.340 -0.000 0.000 0.219 52 L C 2.364 179.088 176.870 -0.243 0.000 1.134 52 L CA 1.116 55.792 54.840 -0.273 0.000 0.807 52 L CB -0.538 41.375 42.059 -0.244 0.000 0.927 52 L HN 0.416 nan 8.230 nan 0.000 0.447 53 E N -0.238 119.868 120.200 -0.157 0.000 2.347 53 E HA -0.121 4.228 4.350 -0.000 0.000 0.196 53 E C 1.783 178.317 176.600 -0.110 0.000 1.008 53 E CA 1.196 57.525 56.400 -0.118 0.000 0.852 53 E CB 0.189 29.843 29.700 -0.077 0.000 0.783 53 E HN 0.491 nan 8.360 nan 0.000 0.505 54 S N -0.557 115.069 115.700 -0.124 0.000 2.559 54 S HA 0.087 4.557 4.470 -0.000 0.000 0.226 54 S C 0.752 175.284 174.600 -0.114 0.000 1.000 54 S CA -0.422 57.719 58.200 -0.097 0.000 0.948 54 S CB -0.109 63.047 63.200 -0.074 0.000 0.870 54 S HN 0.077 nan 8.310 nan 0.000 0.497 55 V N 0.310 120.106 119.914 -0.197 0.000 2.924 55 V HA 0.485 4.605 4.120 -0.000 0.000 0.305 55 V C -2.804 173.220 176.094 -0.116 0.000 1.073 55 V CA -2.060 60.108 62.300 -0.221 0.000 1.098 55 V CB -0.614 30.841 31.823 -0.614 0.000 1.000 55 V HN 0.005 nan 8.190 nan 0.000 0.484 56 P HA 0.248 nan 4.420 nan 0.000 0.265 56 P C -2.443 174.929 177.300 0.120 0.000 1.193 56 P CA -0.661 62.477 63.100 0.063 0.000 0.765 56 P CB -0.244 31.514 31.700 0.097 0.000 0.823 57 P HA 0.020 nan 4.420 nan 0.000 0.274 57 P C 0.566 177.946 177.300 0.135 0.000 1.246 57 P CA -0.156 62.996 63.100 0.087 0.000 0.795 57 P CB 0.909 32.625 31.700 0.026 0.000 1.006 58 V N -0.065 119.936 119.914 0.144 0.000 2.488 58 V HA -0.042 4.077 4.120 -0.000 0.000 0.246 58 V C 1.549 177.653 176.094 0.016 0.000 1.046 58 V CA 2.308 64.668 62.300 0.100 0.000 1.053 58 V CB -0.924 30.975 31.823 0.127 0.000 0.679 58 V HN 0.833 nan 8.190 nan 0.000 0.458 59 T N -1.697 112.837 114.554 -0.035 0.000 2.888 59 T HA 0.721 5.071 4.350 -0.000 0.000 0.288 59 T C -0.779 173.900 174.700 -0.034 0.000 1.063 59 T CA -0.231 61.804 62.100 -0.107 0.000 1.010 59 T CB 2.086 70.680 68.868 -0.456 0.000 1.214 59 T HN 0.283 nan 8.240 nan 0.000 0.533 60 V N -1.804 118.110 119.914 0.001 0.000 2.769 60 V HA 0.619 4.739 4.120 -0.000 0.000 0.312 60 V C -2.346 173.699 176.094 -0.082 0.000 1.061 60 V CA -2.597 59.681 62.300 -0.036 0.000 0.931 60 V CB 1.392 33.203 31.823 -0.020 0.000 1.010 60 V HN 0.616 nan 8.190 nan 0.000 0.433 61 P HA -0.176 nan 4.420 nan 0.000 0.216 61 P C 1.965 179.107 177.300 -0.264 0.000 1.154 61 P CA 2.548 65.299 63.100 -0.583 0.000 0.865 61 P CB 0.060 31.203 31.700 -0.929 0.000 0.789 62 S N -0.518 115.098 115.700 -0.138 0.000 2.399 62 S HA -0.205 4.265 4.470 -0.000 0.000 0.231 62 S C 1.836 176.464 174.600 0.046 0.000 1.022 62 S CA 1.271 59.449 58.200 -0.036 0.000 0.983 62 S CB -1.184 62.003 63.200 -0.023 0.000 0.803 62 S HN 0.260 nan 8.310 nan 0.000 0.480 63 E N 1.038 121.301 120.200 0.104 0.000 2.152 63 E HA 0.049 4.399 4.350 -0.000 0.000 0.192 63 E C 1.944 178.694 176.600 0.249 0.000 0.983 63 E CA 1.168 57.699 56.400 0.217 0.000 0.818 63 E CB -0.329 29.584 29.700 0.355 0.000 0.758 63 E HN 0.599 nan 8.360 nan 0.000 0.467 64 I N 0.468 121.187 120.570 0.247 0.000 2.286 64 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 64 I C 2.223 178.428 176.117 0.147 0.000 1.104 64 I CA 0.618 62.056 61.300 0.231 0.000 1.397 64 I CB -0.075 38.117 38.000 0.321 0.000 1.072 64 I HN -0.023 nan 8.210 nan 0.000 0.417 65 V N 0.903 120.903 119.914 0.143 0.000 2.407 65 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 65 V C 2.634 178.758 176.094 0.050 0.000 1.055 65 V CA 1.784 64.147 62.300 0.106 0.000 1.049 65 V CB -0.703 31.176 31.823 0.094 0.000 0.662 65 V HN 0.372 nan 8.190 nan 0.000 0.455 66 R N 0.421 120.952 120.500 0.052 0.000 2.075 66 R HA -0.106 4.234 4.340 -0.000 0.000 0.232 66 R C 2.003 178.290 176.300 -0.023 0.000 1.126 66 R CA 1.606 57.731 56.100 0.042 0.000 0.963 66 R CB -1.050 29.305 30.300 0.091 0.000 0.858 66 R HN 0.403 nan 8.270 nan 0.000 0.435 67 L N 0.848 121.988 121.223 -0.138 0.000 2.042 67 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 67 L C 2.205 178.947 176.870 -0.214 0.000 1.076 67 L CA 2.232 56.821 54.840 -0.418 0.000 0.749 67 L CB -0.983 40.666 42.059 -0.684 0.000 0.893 67 L HN 0.336 nan 8.230 nan 0.000 0.432 68 Q N 0.055 119.793 119.800 -0.103 0.000 2.135 68 Q HA -0.248 4.092 4.340 -0.000 0.000 0.204 68 Q C 2.069 178.042 176.000 -0.045 0.000 0.981 68 Q CA 2.274 58.044 55.803 -0.056 0.000 0.856 68 Q CB -0.224 28.509 28.738 -0.008 0.000 0.902 68 Q HN 0.690 nan 8.270 nan 0.000 0.425 69 E N -0.525 119.656 120.200 -0.031 0.000 2.106 69 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 69 E C 2.143 178.729 176.600 -0.023 0.000 0.984 69 E CA 1.158 57.547 56.400 -0.018 0.000 0.806 69 E CB -0.024 29.675 29.700 -0.001 0.000 0.750 69 E HN 0.505 nan 8.360 nan 0.000 0.458 70 Q N 0.195 119.974 119.800 -0.036 0.000 2.123 70 Q HA -0.048 4.292 4.340 -0.000 0.000 0.199 70 Q C 2.204 178.179 176.000 -0.042 0.000 0.966 70 Q CA 0.751 56.538 55.803 -0.028 0.000 0.845 70 Q CB 0.104 28.831 28.738 -0.019 0.000 0.907 70 Q HN 0.296 nan 8.270 nan 0.000 0.439 71 L N -0.037 121.141 121.223 -0.073 0.000 2.217 71 L HA -0.080 4.260 4.340 -0.000 0.000 0.211 71 L C 2.422 179.265 176.870 -0.045 0.000 1.107 71 L CA 0.559 55.358 54.840 -0.069 0.000 0.783 71 L CB -0.517 41.486 42.059 -0.093 0.000 0.919 71 L HN 0.195 nan 8.230 nan 0.000 0.442 72 A N -0.353 122.444 122.820 -0.038 0.000 1.877 72 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 72 A C 2.272 179.840 177.584 -0.027 0.000 1.186 72 A CA 1.302 53.322 52.037 -0.029 0.000 0.620 72 A CB -0.384 18.602 19.000 -0.023 0.000 0.822 72 A HN 0.358 nan 8.150 nan 0.000 0.443 73 Q N -0.227 119.560 119.800 -0.023 0.000 2.096 73 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 73 Q C 2.346 178.327 176.000 -0.031 0.000 0.982 73 Q CA 1.684 57.473 55.803 -0.024 0.000 0.850 73 Q CB -0.788 27.945 28.738 -0.008 0.000 0.901 73 Q HN 0.514 nan 8.270 nan 0.000 0.422 74 V N 1.160 121.070 119.914 -0.006 0.000 2.295 74 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 74 V C 2.432 178.545 176.094 0.031 0.000 1.049 74 V CA 1.825 64.147 62.300 0.037 0.000 1.024 74 V CB -1.162 30.678 31.823 0.028 0.000 0.648 74 V HN 0.341 nan 8.190 nan 0.000 0.447 75 A N -0.240 122.582 122.820 0.003 0.000 1.940 75 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 75 A C 2.187 179.762 177.584 -0.016 0.000 1.176 75 A CA 1.939 53.980 52.037 0.006 0.000 0.631 75 A CB -0.438 18.548 19.000 -0.023 0.000 0.814 75 A HN 0.576 nan 8.150 nan 0.000 0.446 76 K N -1.497 118.867 120.400 -0.060 0.000 2.525 76 K HA 0.214 4.534 4.320 -0.000 0.000 0.192 76 K C 0.934 177.429 176.600 -0.174 0.000 1.029 76 K CA 0.466 56.706 56.287 -0.079 0.000 1.029 76 K CB -0.071 32.395 32.500 -0.057 0.000 0.814 76 K HN 0.699 nan 8.250 nan 0.000 0.503 77 G N 1.756 110.324 108.800 -0.388 0.000 2.131 77 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.223 77 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.223 77 G C 0.153 174.761 174.900 -0.487 0.000 0.990 77 G CA 0.064 44.669 45.100 -0.825 0.000 0.671 77 G HN 0.447 nan 8.290 nan 0.000 0.521 78 E N -0.556 119.493 120.200 -0.251 0.000 2.630 78 E HA 0.594 4.944 4.350 -0.000 0.000 0.218 78 E C 0.742 177.344 176.600 0.003 0.000 0.977 78 E CA 0.529 56.880 56.400 -0.083 0.000 1.038 78 E CB 1.024 30.691 29.700 -0.055 0.000 1.051 78 E HN 0.972 nan 8.360 nan 0.000 0.487 79 A N 0.606 123.457 122.820 0.053 0.000 2.581 79 A HA 0.704 5.024 4.320 -0.000 0.000 0.290 79 A C -2.054 175.730 177.584 0.333 0.000 1.119 79 A CA -0.625 51.506 52.037 0.157 0.000 0.670 79 A CB 1.172 20.230 19.000 0.096 0.000 1.280 79 A HN 0.108 nan 8.150 nan 0.000 0.425 80 F N -0.243 119.786 119.950 0.130 0.000 2.565 80 F HA 0.699 5.226 4.527 -0.000 0.000 0.313 80 F C -1.147 174.694 175.800 0.068 0.000 1.091 80 F CA -0.995 57.081 58.000 0.127 0.000 0.915 80 F CB 2.030 41.097 39.000 0.113 0.000 1.208 80 F HN 0.559 nan 8.300 nan 0.000 0.453 81 L N 6.769 127.688 121.223 -0.508 0.000 2.287 81 L HA 0.627 4.967 4.340 -0.000 0.000 0.287 81 L C -1.826 174.832 176.870 -0.353 0.000 1.022 81 L CA -0.655 53.991 54.840 -0.323 0.000 0.814 81 L CB 1.255 43.137 42.059 -0.294 0.000 1.217 81 L HN 0.613 nan 8.230 nan 0.000 0.420 82 L N 4.996 126.161 121.223 -0.097 0.000 2.298 82 L HA 0.571 4.910 4.340 -0.000 0.000 0.284 82 L C -0.778 176.035 176.870 -0.094 0.000 1.013 82 L CA 0.122 54.938 54.840 -0.041 0.000 0.824 82 L CB 1.354 43.457 42.059 0.074 0.000 1.221 82 L HN 0.828 nan 8.230 nan 0.000 0.418 83 Q N 3.468 123.162 119.800 -0.177 0.000 2.330 83 Q HA 0.801 5.141 4.340 -0.000 0.000 0.269 83 Q C -0.889 174.986 176.000 -0.208 0.000 1.022 83 Q CA -0.526 55.115 55.803 -0.271 0.000 0.796 83 Q CB 1.879 30.269 28.738 -0.580 0.000 1.271 83 Q HN 0.955 nan 8.270 nan 0.000 0.450 84 G N 0.948 109.684 108.800 -0.105 0.000 2.601 84 G HA2 0.742 4.702 3.960 -0.000 0.000 0.291 84 G HA3 0.742 4.702 3.960 -0.000 0.000 0.291 84 G C -1.002 173.906 174.900 0.013 0.000 1.456 84 G CA -0.066 45.022 45.100 -0.021 0.000 0.804 84 G HN 0.939 nan 8.290 nan 0.000 0.499 85 G N -0.597 108.223 108.800 0.033 0.000 2.343 85 G HA2 0.420 4.380 3.960 -0.000 0.000 0.289 85 G HA3 0.420 4.380 3.960 -0.000 0.000 0.289 85 G C -1.614 173.314 174.900 0.046 0.000 1.295 85 G CA -0.667 44.450 45.100 0.028 0.000 0.869 85 G HN 0.675 nan 8.290 nan 0.000 0.522 86 D N -0.439 119.991 120.400 0.050 0.000 2.449 86 D HA 0.142 4.782 4.640 -0.000 0.000 0.236 86 D C 1.637 177.981 176.300 0.073 0.000 1.149 86 D CA 0.442 54.478 54.000 0.060 0.000 0.878 86 D CB 1.527 42.379 40.800 0.087 0.000 1.198 86 D HN 0.627 nan 8.370 nan 0.000 0.446 87 C N 2.243 121.578 119.300 0.058 0.000 2.413 87 C HA 0.062 4.522 4.460 -0.000 0.000 0.277 87 C C 0.923 175.964 174.990 0.084 0.000 1.228 87 C CA 1.198 60.272 59.018 0.093 0.000 1.731 87 C CB -0.683 27.099 27.740 0.069 0.000 2.042 87 C HN 0.641 nan 8.230 nan 0.000 0.468 88 A N 0.599 123.441 122.820 0.037 0.000 2.335 88 A HA 0.620 4.940 4.320 -0.000 0.000 0.304 88 A C -0.692 176.872 177.584 -0.033 0.000 1.118 88 A CA -0.379 51.660 52.037 0.004 0.000 0.757 88 A CB 0.484 19.509 19.000 0.041 0.000 1.188 88 A HN 0.672 nan 8.150 nan 0.000 0.460 89 E N 1.271 121.397 120.200 -0.123 0.000 2.354 89 E HA 0.404 4.753 4.350 -0.000 0.000 0.269 89 E C 0.249 176.879 176.600 0.050 0.000 1.036 89 E CA 0.108 56.429 56.400 -0.131 0.000 0.876 89 E CB 1.019 30.420 29.700 -0.499 0.000 1.009 89 E HN 0.715 nan 8.360 nan 0.000 0.416 90 T N -0.812 113.804 114.554 0.103 0.000 2.887 90 T HA 0.279 4.629 4.350 -0.000 0.000 0.288 90 T C 0.599 175.452 174.700 0.255 0.000 1.021 90 T CA -0.794 61.365 62.100 0.098 0.000 1.000 90 T CB 0.539 69.365 68.868 -0.069 0.000 1.034 90 T HN 0.193 nan 8.240 nan 0.000 0.467 91 F N 0.987 120.988 119.950 0.086 0.000 2.161 91 F HA 0.009 4.536 4.527 -0.000 0.000 0.300 91 F C 2.502 178.293 175.800 -0.016 0.000 1.089 91 F CA 0.749 58.743 58.000 -0.010 0.000 1.282 91 F CB -1.032 37.912 39.000 -0.093 0.000 1.010 91 F HN 0.607 nan 8.300 nan 0.000 0.485 92 M N -0.117 119.567 119.600 0.139 0.000 2.106 92 M HA -0.222 4.258 4.480 -0.000 0.000 0.259 92 M C 0.706 176.999 176.300 -0.011 0.000 1.068 92 M CA 1.957 57.280 55.300 0.039 0.000 1.100 92 M CB -0.297 32.291 32.600 -0.021 0.000 1.351 92 M HN -0.027 nan 8.290 nan 0.000 0.404 93 D N -0.268 120.091 120.400 -0.068 0.000 2.388 93 D HA 0.042 4.682 4.640 -0.000 0.000 0.221 93 D C -0.073 176.168 176.300 -0.098 0.000 1.133 93 D CA 0.128 54.014 54.000 -0.190 0.000 0.831 93 D CB -0.552 39.951 40.800 -0.494 0.000 0.962 93 D HN 0.273 nan 8.370 nan 0.000 0.502 94 N N 1.633 120.364 118.700 0.052 0.000 3.254 94 N HA -0.016 4.724 4.740 -0.000 0.000 0.308 94 N C -0.599 174.961 175.510 0.084 0.000 1.281 94 N CA 0.077 53.202 53.050 0.124 0.000 1.212 94 N CB -0.167 38.432 38.487 0.185 0.000 1.478 94 N HN -0.005 nan 8.380 nan 0.000 0.548 95 T N -3.021 111.586 114.554 0.089 0.000 2.930 95 T HA 0.282 4.632 4.350 -0.000 0.000 0.290 95 T C 0.960 175.704 174.700 0.073 0.000 1.052 95 T CA -0.752 61.387 62.100 0.064 0.000 1.017 95 T CB 1.754 70.652 68.868 0.049 0.000 1.137 95 T HN 0.056 nan 8.240 nan 0.000 0.511 96 E N 0.679 120.904 120.200 0.042 0.000 2.058 96 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 96 E C -0.841 175.772 176.600 0.021 0.000 0.997 96 E CA 1.830 58.246 56.400 0.027 0.000 0.801 96 E CB -1.438 28.271 29.700 0.015 0.000 0.746 96 E HN 0.510 nan 8.360 nan 0.000 0.450 97 P HA -0.114 nan 4.420 nan 0.000 0.217 97 P C 1.222 178.531 177.300 0.015 0.000 1.150 97 P CA 1.623 64.729 63.100 0.010 0.000 0.832 97 P CB -0.244 31.467 31.700 0.018 0.000 0.787 98 H N -0.482 118.570 119.070 -0.030 0.000 2.326 98 H HA -0.027 4.529 4.556 -0.000 0.000 0.301 98 H C 1.864 177.172 175.328 -0.033 0.000 1.081 98 H CA 1.478 57.506 56.048 -0.033 0.000 1.334 98 H CB -0.883 28.867 29.762 -0.020 0.000 1.385 98 H HN -0.041 nan 8.280 nan 0.000 0.504 99 I N 0.022 120.580 120.570 -0.019 0.000 2.179 99 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 99 I C 2.782 178.836 176.117 -0.106 0.000 1.088 99 I CA 1.564 62.826 61.300 -0.064 0.000 1.357 99 I CB -0.349 37.660 38.000 0.015 0.000 1.051 99 I HN 0.258 nan 8.210 nan 0.000 0.409 100 R N 1.126 121.578 120.500 -0.081 0.000 2.091 100 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 100 R C 2.302 178.512 176.300 -0.150 0.000 1.136 100 R CA 1.761 57.804 56.100 -0.095 0.000 0.959 100 R CB -0.581 29.675 30.300 -0.074 0.000 0.856 100 R HN 0.433 nan 8.270 nan 0.000 0.437 101 G N 0.246 108.938 108.800 -0.180 0.000 2.422 101 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 101 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 101 G C 1.081 175.846 174.900 -0.225 0.000 1.146 101 G CA 0.832 45.803 45.100 -0.216 0.000 0.769 101 G HN 0.343 nan 8.290 nan 0.000 0.547 102 N N 0.085 118.632 118.700 -0.256 0.000 2.216 102 N HA -0.044 4.696 4.740 -0.000 0.000 0.183 102 N C 2.292 177.721 175.510 -0.136 0.000 1.017 102 N CA 0.741 53.664 53.050 -0.211 0.000 0.861 102 N CB -0.425 37.911 38.487 -0.250 0.000 0.986 102 N HN 0.164 nan 8.380 nan 0.000 0.428 103 V N 1.189 121.032 119.914 -0.118 0.000 2.343 103 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 103 V C 2.473 178.518 176.094 -0.081 0.000 1.051 103 V CA 1.636 63.888 62.300 -0.079 0.000 1.036 103 V CB -0.415 31.371 31.823 -0.062 0.000 0.654 103 V HN 0.299 nan 8.190 nan 0.000 0.451 104 R N 0.227 120.656 120.500 -0.118 0.000 2.066 104 R HA -0.134 4.206 4.340 -0.000 0.000 0.232 104 R C 2.331 178.558 176.300 -0.122 0.000 1.131 104 R CA 1.623 57.642 56.100 -0.135 0.000 0.955 104 R CB -0.527 29.623 30.300 -0.250 0.000 0.851 104 R HN 0.453 nan 8.270 nan 0.000 0.432 105 A N 1.186 123.922 122.820 -0.140 0.000 1.892 105 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 105 A C 2.075 179.609 177.584 -0.083 0.000 1.188 105 A CA 1.541 53.505 52.037 -0.121 0.000 0.631 105 A CB -0.733 18.190 19.000 -0.127 0.000 0.822 105 A HN 0.396 nan 8.150 nan 0.000 0.447 106 L N -0.432 120.750 121.223 -0.068 0.000 2.017 106 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 106 L C 2.422 179.278 176.870 -0.024 0.000 1.073 106 L CA 1.598 56.414 54.840 -0.041 0.000 0.745 106 L CB -0.377 41.662 42.059 -0.033 0.000 0.894 106 L HN 0.431 nan 8.230 nan 0.000 0.432 107 L N -1.305 119.905 121.223 -0.020 0.000 2.046 107 L HA -0.259 4.081 4.340 -0.000 0.000 0.208 107 L C 2.612 179.492 176.870 0.016 0.000 1.077 107 L CA 1.322 56.165 54.840 0.005 0.000 0.747 107 L CB -0.550 41.520 42.059 0.020 0.000 0.896 107 L HN 0.391 nan 8.230 nan 0.000 0.432 108 Q N -0.539 119.264 119.800 0.004 0.000 2.020 108 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 108 Q C 2.339 178.310 176.000 -0.047 0.000 0.982 108 Q CA 1.738 57.546 55.803 0.009 0.000 0.838 108 Q CB -0.165 28.564 28.738 -0.014 0.000 0.899 108 Q HN 0.507 nan 8.270 nan 0.000 0.423 109 M N -0.116 119.440 119.600 -0.073 0.000 2.117 109 M HA -0.182 4.298 4.480 -0.000 0.000 0.262 109 M C 2.360 178.623 176.300 -0.062 0.000 1.065 109 M CA 1.493 56.735 55.300 -0.096 0.000 1.114 109 M CB -0.350 32.212 32.600 -0.062 0.000 1.361 109 M HN 0.241 nan 8.290 nan 0.000 0.408 110 A N -0.437 122.373 122.820 -0.016 0.000 1.902 110 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 110 A C 2.303 179.891 177.584 0.007 0.000 1.181 110 A CA 1.847 53.895 52.037 0.017 0.000 0.623 110 A CB -1.076 17.944 19.000 0.033 0.000 0.818 110 A HN 0.351 nan 8.150 nan 0.000 0.443 111 V N -0.418 119.495 119.914 -0.003 0.000 2.427 111 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 111 V C 2.390 178.459 176.094 -0.041 0.000 1.051 111 V CA 2.174 64.471 62.300 -0.006 0.000 1.048 111 V CB -0.298 31.531 31.823 0.010 0.000 0.666 111 V HN 0.318 nan 8.190 nan 0.000 0.456 112 V N 0.171 120.020 119.914 -0.109 0.000 2.295 112 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 112 V C 2.409 178.430 176.094 -0.122 0.000 1.049 112 V CA 2.514 64.682 62.300 -0.220 0.000 1.024 112 V CB -0.549 30.948 31.823 -0.543 0.000 0.648 112 V HN 0.513 nan 8.190 nan 0.000 0.447 113 L N -0.521 120.641 121.223 -0.103 0.000 2.093 113 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 113 L C 2.623 179.451 176.870 -0.069 0.000 1.085 113 L CA 1.860 56.641 54.840 -0.099 0.000 0.755 113 L CB -0.996 41.036 42.059 -0.044 0.000 0.904 113 L HN 0.344 nan 8.230 nan 0.000 0.435 114 T N -1.256 113.296 114.554 -0.003 0.000 2.720 114 T HA -0.280 4.070 4.350 -0.000 0.000 0.268 114 T C 1.707 176.415 174.700 0.012 0.000 1.037 114 T CA 1.641 63.753 62.100 0.020 0.000 1.144 114 T CB -0.402 68.492 68.868 0.043 0.000 0.864 114 T HN 0.326 nan 8.240 nan 0.000 0.444 115 Y N 1.587 121.842 120.300 -0.075 0.000 2.181 115 Y HA -0.015 4.535 4.550 -0.000 0.000 0.288 115 Y C 2.517 178.380 175.900 -0.062 0.000 1.146 115 Y CA 1.318 59.377 58.100 -0.069 0.000 1.164 115 Y CB -0.636 37.769 38.460 -0.092 0.000 0.982 115 Y HN 0.197 nan 8.280 nan 0.000 0.515 116 G N -0.522 108.264 108.800 -0.024 0.000 2.402 116 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 116 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 116 G C 1.716 176.523 174.900 -0.154 0.000 1.162 116 G CA 0.702 45.748 45.100 -0.091 0.000 0.777 116 G HN 0.538 nan 8.290 nan 0.000 0.539 117 A N -0.227 122.501 122.820 -0.154 0.000 2.067 117 A HA 0.347 4.667 4.320 -0.000 0.000 0.217 117 A C 1.753 179.292 177.584 -0.075 0.000 1.156 117 A CA 1.391 53.356 52.037 -0.120 0.000 0.683 117 A CB -0.251 18.666 19.000 -0.137 0.000 0.808 117 A HN 0.751 nan 8.150 nan 0.000 0.455 118 S N -1.312 114.318 115.700 -0.117 0.000 3.614 118 S HA -0.181 4.288 4.470 -0.000 0.000 0.360 118 S C -0.036 174.546 174.600 -0.030 0.000 1.023 118 S CA 1.389 59.526 58.200 -0.105 0.000 1.114 118 S CB -2.179 60.948 63.200 -0.122 0.000 0.907 118 S HN 1.259 nan 8.310 nan 0.000 0.470 119 M N -3.349 116.253 119.600 0.002 0.000 2.732 119 M HA 0.678 5.158 4.480 -0.000 0.000 0.272 119 M C -3.431 172.909 176.300 0.067 0.000 1.203 119 M CA -2.322 53.003 55.300 0.041 0.000 0.841 119 M CB 1.029 33.669 32.600 0.068 0.000 1.685 119 M HN -0.220 nan 8.290 nan 0.000 0.492 120 P HA 0.234 nan 4.420 nan 0.000 0.267 120 P C -1.096 176.283 177.300 0.131 0.000 1.200 120 P CA -0.303 62.847 63.100 0.085 0.000 0.772 120 P CB 0.566 32.309 31.700 0.070 0.000 0.855 121 V N 3.872 123.864 119.914 0.129 0.000 2.409 121 V HA 0.193 4.313 4.120 -0.000 0.000 0.291 121 V C 0.148 176.316 176.094 0.123 0.000 1.020 121 V CA -0.684 61.719 62.300 0.171 0.000 0.848 121 V CB 1.923 33.853 31.823 0.178 0.000 0.990 121 V HN 0.225 nan 8.190 nan 0.000 0.430 122 V N 5.602 125.581 119.914 0.108 0.000 2.498 122 V HA 0.357 4.477 4.120 -0.000 0.000 0.279 122 V C 0.177 176.324 176.094 0.089 0.000 1.048 122 V CA -0.643 61.717 62.300 0.099 0.000 0.967 122 V CB 1.292 33.145 31.823 0.049 0.000 0.988 122 V HN 0.801 nan 8.190 nan 0.000 0.473 123 K N 3.922 124.399 120.400 0.127 0.000 2.339 123 K HA 0.669 4.988 4.320 -0.000 0.000 0.264 123 K C -1.314 175.366 176.600 0.135 0.000 0.986 123 K CA -0.476 55.863 56.287 0.086 0.000 0.866 123 K CB 1.967 34.495 32.500 0.047 0.000 1.103 123 K HN 0.456 nan 8.250 nan 0.000 0.441 124 V N 2.494 122.453 119.914 0.074 0.000 2.443 124 V HA 0.444 4.563 4.120 -0.000 0.000 0.293 124 V C -0.285 175.836 176.094 0.045 0.000 1.021 124 V CA -1.014 61.344 62.300 0.098 0.000 0.848 124 V CB 1.470 33.318 31.823 0.041 0.000 0.998 124 V HN 0.881 nan 8.190 nan 0.000 0.424 125 A N 5.090 127.961 122.820 0.084 0.000 2.327 125 A HA 0.657 4.977 4.320 -0.000 0.000 0.283 125 A C 0.323 177.979 177.584 0.119 0.000 1.127 125 A CA -0.616 51.461 52.037 0.067 0.000 0.810 125 A CB 0.382 19.416 19.000 0.056 0.000 1.066 125 A HN 0.844 nan 8.150 nan 0.000 0.492 126 R N 1.298 121.872 120.500 0.122 0.000 2.429 126 R HA 0.509 4.849 4.340 -0.000 0.000 0.302 126 R C -0.803 175.569 176.300 0.119 0.000 1.268 126 R CA 0.424 56.648 56.100 0.207 0.000 1.090 126 R CB -0.215 30.242 30.300 0.261 0.000 1.102 126 R HN 0.683 nan 8.270 nan 0.000 0.522 127 I N -0.381 120.257 120.570 0.113 0.000 3.021 127 I HA 0.297 4.466 4.170 -0.000 0.000 0.305 127 I C -0.766 175.388 176.117 0.062 0.000 1.434 127 I CA -0.410 60.920 61.300 0.049 0.000 0.969 127 I CB 1.896 39.930 38.000 0.058 0.000 1.328 127 I HN 0.638 nan 8.210 nan 0.000 0.486 128 A N 3.516 126.348 122.820 0.021 0.000 2.791 128 A HA 0.065 4.385 4.320 -0.000 0.000 0.292 128 A C 0.845 178.479 177.584 0.084 0.000 1.487 128 A CA 1.477 53.565 52.037 0.084 0.000 0.760 128 A CB -2.248 16.819 19.000 0.111 0.000 1.031 128 A HN 2.166 nan 8.150 nan 0.000 0.503 129 G N -2.266 106.457 108.800 -0.129 0.000 3.987 129 G HA2 0.229 4.189 3.960 -0.000 0.000 0.220 129 G HA3 0.229 4.189 3.960 -0.000 0.000 0.220 129 G C 0.093 174.652 174.900 -0.568 0.000 0.871 129 G CA 0.685 45.591 45.100 -0.322 0.000 0.881 129 G HN 1.247 nan 8.290 nan 0.000 0.674 130 Q N 1.002 120.503 119.800 -0.499 0.000 3.184 130 Q HA 0.495 4.834 4.340 -0.000 0.000 0.288 130 Q C -0.006 175.741 176.000 -0.422 0.000 1.412 130 Q CA -0.245 55.371 55.803 -0.312 0.000 0.991 130 Q CB -0.886 27.795 28.738 -0.095 0.000 1.688 130 Q HN 0.632 nan 8.270 nan 0.000 0.554 131 Y N -0.480 119.709 120.300 -0.185 0.000 2.557 131 Y HA 0.560 5.110 4.550 -0.000 0.000 0.247 131 Y C 0.290 176.046 175.900 -0.241 0.000 1.164 131 Y CA -0.328 57.650 58.100 -0.204 0.000 1.218 131 Y CB 1.161 39.502 38.460 -0.199 0.000 1.210 131 Y HN 0.402 nan 8.280 nan 0.000 0.529 132 A N 1.462 124.219 122.820 -0.104 0.000 2.422 132 A HA 0.738 5.058 4.320 -0.000 0.000 0.302 132 A C -1.036 176.460 177.584 -0.146 0.000 1.041 132 A CA -0.786 51.160 52.037 -0.151 0.000 0.708 132 A CB 1.283 20.203 19.000 -0.133 0.000 1.257 132 A HN 0.235 nan 8.150 nan 0.000 0.414 133 K N 2.030 122.322 120.400 -0.180 0.000 2.435 133 K HA 0.809 5.128 4.320 -0.000 0.000 0.251 133 K C -3.177 173.346 176.600 -0.129 0.000 0.954 133 K CA -1.883 54.327 56.287 -0.129 0.000 0.820 133 K CB 2.774 35.216 32.500 -0.097 0.000 1.292 133 K HN 0.388 nan 8.250 nan 0.000 0.436 134 P HA 0.298 nan 4.420 nan 0.000 0.278 134 P C -1.067 176.202 177.300 -0.052 0.000 1.258 134 P CA -0.684 62.367 63.100 -0.081 0.000 0.811 134 P CB 0.805 32.456 31.700 -0.081 0.000 1.063 135 R N 0.482 120.958 120.500 -0.039 0.000 2.621 135 R HA 0.318 4.658 4.340 -0.000 0.000 0.284 135 R C 0.993 177.289 176.300 -0.007 0.000 0.998 135 R CA -0.694 55.399 56.100 -0.013 0.000 0.895 135 R CB 1.487 31.784 30.300 -0.006 0.000 1.195 135 R HN 0.418 nan 8.270 nan 0.000 0.450 136 S N 0.775 116.478 115.700 0.004 0.000 2.387 136 S HA 0.022 4.492 4.470 -0.000 0.000 0.226 136 S C 0.763 175.366 174.600 0.006 0.000 1.026 136 S CA 1.068 59.271 58.200 0.005 0.000 0.972 136 S CB 0.219 63.428 63.200 0.013 0.000 0.814 136 S HN 0.682 nan 8.310 nan 0.000 0.477 137 A N 0.832 123.658 122.820 0.010 0.000 2.318 137 A HA 0.524 4.844 4.320 -0.000 0.000 0.324 137 A C 0.251 177.840 177.584 0.009 0.000 1.170 137 A CA -0.562 51.480 52.037 0.008 0.000 0.810 137 A CB 0.885 19.892 19.000 0.011 0.000 1.198 137 A HN 0.090 nan 8.150 nan 0.000 0.484 138 D N 1.239 121.642 120.400 0.004 0.000 2.323 138 D HA 0.077 4.717 4.640 -0.000 0.000 0.209 138 D C -0.022 176.284 176.300 0.009 0.000 0.973 138 D CA 1.000 55.003 54.000 0.006 0.000 0.874 138 D CB -0.017 40.778 40.800 -0.009 0.000 0.930 138 D HN 0.521 nan 8.370 nan 0.000 0.521 139 I N 1.363 121.937 120.570 0.005 0.000 2.406 139 I HA 0.196 4.365 4.170 -0.000 0.000 0.290 139 I C -0.067 176.054 176.117 0.005 0.000 0.999 139 I CA -0.979 60.323 61.300 0.004 0.000 1.124 139 I CB 1.812 39.809 38.000 -0.004 0.000 1.289 139 I HN -0.114 nan 8.210 nan 0.000 0.441 140 D N 5.375 125.778 120.400 0.005 0.000 2.511 140 D HA 0.296 4.936 4.640 -0.000 0.000 0.276 140 D C 1.112 177.406 176.300 -0.010 0.000 1.220 140 D CA -0.497 53.504 54.000 0.003 0.000 1.077 140 D CB 0.705 41.509 40.800 0.007 0.000 1.126 140 D HN 0.448 nan 8.370 nan 0.000 0.583 141 A N -0.733 122.077 122.820 -0.017 0.000 2.070 141 A HA -0.023 4.297 4.320 -0.000 0.000 0.220 141 A C 2.139 179.701 177.584 -0.036 0.000 1.159 141 A CA 0.795 52.816 52.037 -0.027 0.000 0.656 141 A CB -0.785 18.194 19.000 -0.034 0.000 0.800 141 A HN 0.535 nan 8.150 nan 0.000 0.453 142 L N -1.362 119.836 121.223 -0.042 0.000 2.591 142 L HA 0.197 4.537 4.340 -0.000 0.000 0.228 142 L C 1.626 178.475 176.870 -0.034 0.000 1.133 142 L CA 0.495 55.308 54.840 -0.046 0.000 0.880 142 L CB -0.371 41.650 42.059 -0.063 0.000 1.033 142 L HN 0.555 nan 8.230 nan 0.000 0.450 143 G N 0.736 109.521 108.800 -0.026 0.000 2.148 143 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.254 143 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.254 143 G C 0.141 175.031 174.900 -0.016 0.000 0.981 143 G CA -0.002 45.087 45.100 -0.019 0.000 0.670 143 G HN 0.254 nan 8.290 nan 0.000 0.528 144 L N 0.018 121.230 121.223 -0.019 0.000 2.399 144 L HA 0.532 4.872 4.340 -0.000 0.000 0.265 144 L C 1.468 178.339 176.870 0.003 0.000 1.089 144 L CA -1.181 53.651 54.840 -0.012 0.000 0.802 144 L CB 0.738 42.782 42.059 -0.025 0.000 1.180 144 L HN 0.078 nan 8.230 nan 0.000 0.454 145 R N 0.857 121.365 120.500 0.014 0.000 2.583 145 R HA 0.047 4.387 4.340 -0.000 0.000 0.274 145 R C -0.130 176.207 176.300 0.061 0.000 0.998 145 R CA -0.135 55.985 56.100 0.033 0.000 1.081 145 R CB 0.298 30.623 30.300 0.040 0.000 0.940 145 R HN 0.568 nan 8.270 nan 0.000 0.413 146 S N 2.195 117.936 115.700 0.069 0.000 2.560 146 S HA -0.060 4.410 4.470 -0.000 0.000 0.284 146 S C -0.374 174.305 174.600 0.132 0.000 1.327 146 S CA -0.338 57.913 58.200 0.084 0.000 1.055 146 S CB 0.263 63.498 63.200 0.058 0.000 0.868 146 S HN 0.427 nan 8.310 nan 0.000 0.506 147 Y N 2.877 123.182 120.300 0.008 0.000 2.465 147 Y HA 0.181 4.731 4.550 -0.000 0.000 0.331 147 Y C 1.077 176.984 175.900 0.012 0.000 1.102 147 Y CA 0.099 58.210 58.100 0.018 0.000 1.358 147 Y CB 0.264 38.758 38.460 0.055 0.000 1.213 147 Y HN 0.619 nan 8.280 nan 0.000 0.525 148 R N 4.320 124.527 120.500 -0.489 0.000 2.629 148 R HA 0.305 4.645 4.340 -0.000 0.000 0.386 148 R C -0.205 175.727 176.300 -0.614 0.000 1.071 148 R CA 0.187 56.008 56.100 -0.464 0.000 1.104 148 R CB 0.669 30.775 30.300 -0.324 0.000 1.370 148 R HN 0.996 nan 8.270 nan 0.000 0.574 149 G N 0.859 108.961 108.800 -1.162 0.000 2.692 149 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.686 149 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.686 149 G C -0.373 174.311 174.900 -0.361 0.000 1.243 149 G CA -0.741 43.927 45.100 -0.720 0.000 0.782 149 G HN 0.138 nan 8.290 nan 0.000 0.625 150 D N 0.210 120.476 120.400 -0.223 0.000 2.350 150 D HA -0.062 4.578 4.640 -0.000 0.000 0.216 150 D C 2.368 178.444 176.300 -0.374 0.000 0.968 150 D CA 1.170 54.908 54.000 -0.437 0.000 0.894 150 D CB 0.009 40.103 40.800 -1.177 0.000 0.909 150 D HN 0.485 nan 8.370 nan 0.000 0.520 151 M N -0.463 119.024 119.600 -0.188 0.000 2.476 151 M HA -0.023 4.457 4.480 -0.000 0.000 0.262 151 M C 1.112 177.465 176.300 0.088 0.000 1.079 151 M CA 1.076 56.354 55.300 -0.037 0.000 1.104 151 M CB 0.292 32.846 32.600 -0.077 0.000 1.409 151 M HN -0.023 nan 8.290 nan 0.000 0.467 152 I N -0.803 119.752 120.570 -0.024 0.000 3.518 152 I HA 0.097 4.266 4.170 -0.000 0.000 0.260 152 I C 0.231 176.335 176.117 -0.020 0.000 1.148 152 I CA -0.148 61.116 61.300 -0.060 0.000 1.440 152 I CB 0.194 37.944 38.000 -0.417 0.000 1.485 152 I HN 0.295 nan 8.210 nan 0.000 0.456 153 N N 0.594 119.268 118.700 -0.043 0.000 3.243 153 N HA 0.329 5.069 4.740 -0.000 0.000 0.280 153 N C -0.558 175.070 175.510 0.197 0.000 1.545 153 N CA -0.465 52.636 53.050 0.084 0.000 0.854 153 N CB 0.524 39.070 38.487 0.099 0.000 1.612 153 N HN -0.010 nan 8.380 nan 0.000 0.577 154 G N -1.243 107.677 108.800 0.200 0.000 2.400 154 G HA2 0.372 4.332 3.960 -0.000 0.000 0.301 154 G HA3 0.372 4.332 3.960 -0.000 0.000 0.301 154 G C -0.323 174.635 174.900 0.097 0.000 1.154 154 G CA -0.688 44.514 45.100 0.169 0.000 0.852 154 G HN 0.472 nan 8.290 nan 0.000 0.511 155 F N 2.453 122.162 119.950 -0.402 0.000 2.293 155 F HA 0.192 4.719 4.527 -0.000 0.000 0.300 155 F C 1.994 177.589 175.800 -0.342 0.000 1.086 155 F CA 0.541 58.035 58.000 -0.843 0.000 1.375 155 F CB -0.021 38.481 39.000 -0.830 0.000 1.045 155 F HN 0.482 nan 8.300 nan 0.000 0.516 156 A N 2.347 125.067 122.820 -0.166 0.000 2.546 156 A HA 0.133 4.453 4.320 -0.000 0.000 0.243 156 A C -2.033 175.424 177.584 -0.211 0.000 1.063 156 A CA -0.756 51.187 52.037 -0.158 0.000 0.757 156 A CB -0.882 18.100 19.000 -0.030 0.000 0.991 156 A HN 0.228 nan 8.150 nan 0.000 0.503 157 P HA 0.121 nan 4.420 nan 0.000 0.230 157 P C -1.095 176.149 177.300 -0.092 0.000 1.791 157 P CA 0.255 63.245 63.100 -0.183 0.000 1.020 157 P CB -0.370 31.215 31.700 -0.191 0.000 1.977 158 D N -0.199 120.164 120.400 -0.062 0.000 2.602 158 D HA 0.241 4.880 4.640 -0.000 0.000 0.236 158 D C 0.279 176.576 176.300 -0.005 0.000 1.209 158 D CA -0.848 53.137 54.000 -0.026 0.000 0.831 158 D CB 1.550 42.344 40.800 -0.011 0.000 1.478 158 D HN -0.056 nan 8.370 nan 0.000 0.438 159 A N 1.333 124.156 122.820 0.004 0.000 1.898 159 A HA 0.094 4.414 4.320 -0.000 0.000 0.216 159 A C 2.203 179.806 177.584 0.033 0.000 1.181 159 A CA 2.318 54.364 52.037 0.016 0.000 0.620 159 A CB -0.964 18.042 19.000 0.011 0.000 0.819 159 A HN 0.748 nan 8.150 nan 0.000 0.442 160 A N 0.027 122.868 122.820 0.035 0.000 1.883 160 A HA 0.095 4.415 4.320 -0.000 0.000 0.217 160 A C 2.510 180.131 177.584 0.062 0.000 1.186 160 A CA 2.273 54.339 52.037 0.050 0.000 0.624 160 A CB -1.081 17.950 19.000 0.051 0.000 0.822 160 A HN 1.119 nan 8.150 nan 0.000 0.444 161 A N -0.809 122.043 122.820 0.053 0.000 1.972 161 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 161 A C 2.071 179.707 177.584 0.087 0.000 1.169 161 A CA 1.406 53.479 52.037 0.060 0.000 0.635 161 A CB -0.353 18.666 19.000 0.032 0.000 0.810 161 A HN 0.381 nan 8.150 nan 0.000 0.446 162 R N 0.428 120.979 120.500 0.085 0.000 2.299 162 R HA 0.109 4.449 4.340 -0.000 0.000 0.197 162 R C -0.206 176.205 176.300 0.185 0.000 0.971 162 R CA 0.035 56.211 56.100 0.127 0.000 1.030 162 R CB -0.269 30.085 30.300 0.090 0.000 0.932 162 R HN 0.482 nan 8.270 nan 0.000 0.477 163 E N 1.284 121.576 120.200 0.153 0.000 2.413 163 E HA -0.008 4.342 4.350 -0.000 0.000 0.263 163 E C -0.163 176.618 176.600 0.303 0.000 1.015 163 E CA 0.281 56.788 56.400 0.178 0.000 0.916 163 E CB 0.419 30.188 29.700 0.115 0.000 0.947 163 E HN 0.272 nan 8.360 nan 0.000 0.440 164 H N 1.698 120.833 119.070 0.109 0.000 2.722 164 H HA 0.082 4.638 4.556 -0.000 0.000 0.328 164 H C -0.324 175.224 175.328 0.366 0.000 1.067 164 H CA -0.210 55.953 56.048 0.192 0.000 1.447 164 H CB 0.839 30.631 29.762 0.049 0.000 1.469 164 H HN 0.218 nan 8.280 nan 0.000 0.544 165 D N 5.246 125.972 120.400 0.543 0.000 2.421 165 D HA 0.119 4.759 4.640 -0.000 0.000 0.254 165 D C -1.900 174.440 176.300 0.068 0.000 1.238 165 D CA -2.485 51.683 54.000 0.279 0.000 0.919 165 D CB 1.707 42.599 40.800 0.153 0.000 1.152 165 D HN 0.228 nan 8.370 nan 0.000 0.552 166 P HA -0.130 nan 4.420 nan 0.000 0.222 166 P C 1.260 178.241 177.300 -0.533 0.000 1.147 166 P CA 0.697 63.164 63.100 -1.056 0.000 0.790 166 P CB 0.089 31.163 31.700 -1.042 0.000 0.780 167 S N 0.157 115.699 115.700 -0.263 0.000 2.465 167 S HA -0.135 4.335 4.470 -0.000 0.000 0.241 167 S C 1.970 176.506 174.600 -0.106 0.000 1.000 167 S CA 0.639 58.742 58.200 -0.162 0.000 0.964 167 S CB -1.025 62.106 63.200 -0.114 0.000 0.763 167 S HN 0.134 nan 8.310 nan 0.000 0.512 168 R N 0.407 120.868 120.500 -0.066 0.000 2.235 168 R HA 0.226 4.566 4.340 -0.000 0.000 0.213 168 R C 1.977 178.300 176.300 0.038 0.000 1.059 168 R CA 0.831 56.961 56.100 0.050 0.000 0.997 168 R CB -0.512 29.867 30.300 0.132 0.000 0.884 168 R HN 0.451 nan 8.270 nan 0.000 0.462 169 L N -0.231 120.973 121.223 -0.033 0.000 2.046 169 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 169 L C 2.138 179.087 176.870 0.132 0.000 1.077 169 L CA 1.126 56.007 54.840 0.068 0.000 0.747 169 L CB -0.327 41.749 42.059 0.029 0.000 0.896 169 L HN 0.026 nan 8.230 nan 0.000 0.432 170 V N -0.644 119.292 119.914 0.037 0.000 2.407 170 V HA -0.165 3.954 4.120 -0.000 0.000 0.245 170 V C 2.521 178.619 176.094 0.006 0.000 1.041 170 V CA 1.307 63.641 62.300 0.056 0.000 1.040 170 V CB -0.504 31.310 31.823 -0.016 0.000 0.671 170 V HN 0.339 nan 8.190 nan 0.000 0.455 171 R N 0.622 121.053 120.500 -0.114 0.000 2.091 171 R HA -0.130 4.210 4.340 -0.000 0.000 0.238 171 R C 2.434 178.400 176.300 -0.556 0.000 1.136 171 R CA 1.598 57.483 56.100 -0.359 0.000 0.959 171 R CB -0.700 29.376 30.300 -0.373 0.000 0.856 171 R HN 0.529 nan 8.270 nan 0.000 0.437 172 A N 0.330 123.000 122.820 -0.251 0.000 1.883 172 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 172 A C 2.014 179.546 177.584 -0.086 0.000 1.186 172 A CA 1.494 53.380 52.037 -0.253 0.000 0.624 172 A CB -0.842 18.032 19.000 -0.211 0.000 0.822 172 A HN 0.499 nan 8.150 nan 0.000 0.444 173 Y N 0.806 121.137 120.300 0.051 0.000 2.097 173 Y HA -0.162 4.387 4.550 -0.000 0.000 0.282 173 Y C 2.631 178.540 175.900 0.016 0.000 1.152 173 Y CA 1.509 59.699 58.100 0.150 0.000 1.136 173 Y CB -0.796 37.749 38.460 0.141 0.000 0.975 173 Y HN 0.302 nan 8.280 nan 0.000 0.498 174 A N 0.797 123.425 122.820 -0.320 0.000 1.908 174 A HA -0.252 4.067 4.320 -0.000 0.000 0.218 174 A C 2.188 179.555 177.584 -0.361 0.000 1.181 174 A CA 2.031 53.834 52.037 -0.391 0.000 0.627 174 A CB -0.924 17.941 19.000 -0.226 0.000 0.818 174 A HN 0.697 nan 8.150 nan 0.000 0.445 175 N N 0.030 118.513 118.700 -0.363 0.000 2.142 175 N HA -0.094 4.645 4.740 -0.000 0.000 0.186 175 N C 2.034 177.522 175.510 -0.036 0.000 1.023 175 N CA 1.277 54.189 53.050 -0.230 0.000 0.852 175 N CB -0.324 37.946 38.487 -0.363 0.000 0.998 175 N HN 0.483 nan 8.380 nan 0.000 0.424 176 A N 1.222 124.043 122.820 0.001 0.000 1.858 176 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 176 A C 2.518 180.065 177.584 -0.062 0.000 1.190 176 A CA 1.808 53.888 52.037 0.072 0.000 0.617 176 A CB -0.766 18.330 19.000 0.160 0.000 0.827 176 A HN 0.261 nan 8.150 nan 0.000 0.443 177 S N 0.276 115.811 115.700 -0.274 0.000 2.365 177 S HA -0.153 4.317 4.470 -0.000 0.000 0.225 177 S C 2.296 176.818 174.600 -0.130 0.000 1.039 177 S CA 1.514 59.560 58.200 -0.256 0.000 1.033 177 S CB -0.656 62.260 63.200 -0.473 0.000 0.887 177 S HN 0.846 nan 8.310 nan 0.000 0.447 178 A N 1.711 124.450 122.820 -0.135 0.000 1.877 178 A HA 0.135 4.455 4.320 -0.000 0.000 0.216 178 A C 2.418 179.986 177.584 -0.026 0.000 1.186 178 A CA 1.762 53.755 52.037 -0.075 0.000 0.620 178 A CB -1.234 17.717 19.000 -0.081 0.000 0.822 178 A HN 0.539 nan 8.150 nan 0.000 0.443 179 A N -1.119 121.701 122.820 -0.001 0.000 1.902 179 A HA -0.132 4.187 4.320 -0.000 0.000 0.217 179 A C 2.206 179.806 177.584 0.027 0.000 1.181 179 A CA 2.300 54.356 52.037 0.033 0.000 0.623 179 A CB -0.478 18.566 19.000 0.074 0.000 0.818 179 A HN 0.549 nan 8.150 nan 0.000 0.443 180 M N 0.190 119.804 119.600 0.024 0.000 2.132 180 M HA -0.082 4.397 4.480 -0.000 0.000 0.263 180 M C 1.730 178.043 176.300 0.022 0.000 1.065 180 M CA 1.990 57.311 55.300 0.035 0.000 1.122 180 M CB -0.664 31.962 32.600 0.044 0.000 1.365 180 M HN 0.501 nan 8.290 nan 0.000 0.411 181 N N -0.005 118.698 118.700 0.005 0.000 2.061 181 N HA -0.212 4.528 4.740 -0.000 0.000 0.193 181 N C 1.524 177.036 175.510 0.004 0.000 1.030 181 N CA 1.867 54.918 53.050 0.002 0.000 0.856 181 N CB -0.385 38.096 38.487 -0.010 0.000 1.023 181 N HN 0.412 nan 8.380 nan 0.000 0.424 182 L N 0.095 121.321 121.223 0.004 0.000 2.109 182 L HA 0.030 4.370 4.340 -0.000 0.000 0.207 182 L C 2.328 179.200 176.870 0.003 0.000 1.086 182 L CA 1.335 56.177 54.840 0.004 0.000 0.760 182 L CB -0.857 41.206 42.059 0.006 0.000 0.910 182 L HN 0.254 nan 8.230 nan 0.000 0.437 183 V N -0.965 118.953 119.914 0.007 0.000 2.427 183 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 183 V C 2.609 178.700 176.094 -0.006 0.000 1.051 183 V CA 1.720 64.021 62.300 0.001 0.000 1.048 183 V CB -0.519 31.309 31.823 0.008 0.000 0.666 183 V HN 0.538 nan 8.190 nan 0.000 0.456 184 R N 0.743 121.244 120.500 0.001 0.000 2.080 184 R HA -0.081 4.259 4.340 -0.000 0.000 0.236 184 R C 2.630 178.927 176.300 -0.006 0.000 1.137 184 R CA 1.775 57.873 56.100 -0.005 0.000 0.943 184 R CB -0.940 29.364 30.300 0.007 0.000 0.846 184 R HN 0.641 nan 8.270 nan 0.000 0.431 185 A N 1.225 124.045 122.820 -0.001 0.000 1.883 185 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 185 A C 2.200 179.784 177.584 0.001 0.000 1.186 185 A CA 1.371 53.409 52.037 0.001 0.000 0.624 185 A CB -0.628 18.374 19.000 0.003 0.000 0.822 185 A HN 0.210 nan 8.150 nan 0.000 0.444 186 L N -0.201 121.021 121.223 -0.002 0.000 2.141 186 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 186 L C 2.780 179.650 176.870 -0.001 0.000 1.094 186 L CA 1.662 56.501 54.840 -0.001 0.000 0.763 186 L CB -0.590 41.463 42.059 -0.009 0.000 0.908 186 L HN 0.664 nan 8.230 nan 0.000 0.437 187 T N -4.667 109.880 114.554 -0.011 0.000 3.067 187 T HA -0.030 4.320 4.350 -0.000 0.000 0.261 187 T C 1.525 176.219 174.700 -0.010 0.000 1.110 187 T CA 0.727 62.816 62.100 -0.017 0.000 1.113 187 T CB -0.129 68.713 68.868 -0.043 0.000 0.917 187 T HN 0.339 nan 8.240 nan 0.000 0.499 188 S N 0.989 116.686 115.700 -0.006 0.000 2.572 188 S HA 0.354 4.824 4.470 -0.000 0.000 0.228 188 S C 0.911 175.516 174.600 0.010 0.000 0.963 188 S CA -0.324 57.876 58.200 0.000 0.000 0.939 188 S CB -0.194 63.004 63.200 -0.003 0.000 0.804 188 S HN 0.669 nan 8.310 nan 0.000 0.480 189 S N 0.705 116.414 115.700 0.015 0.000 2.677 189 S HA 0.689 5.159 4.470 -0.000 0.000 0.290 189 S C 1.458 176.080 174.600 0.036 0.000 1.124 189 S CA -0.077 58.137 58.200 0.024 0.000 1.017 189 S CB 0.180 63.395 63.200 0.025 0.000 1.215 189 S HN 0.240 nan 8.310 nan 0.000 0.524 190 G N -0.260 108.568 108.800 0.047 0.000 2.509 190 G HA2 -0.043 3.916 3.960 -0.000 0.000 0.218 190 G HA3 -0.043 3.916 3.960 -0.000 0.000 0.218 190 G C 1.110 176.063 174.900 0.090 0.000 1.124 190 G CA 0.352 45.489 45.100 0.062 0.000 0.776 190 G HN 0.503 nan 8.290 nan 0.000 0.547 191 L N 1.154 122.430 121.223 0.088 0.000 2.191 191 L HA 0.105 4.445 4.340 -0.000 0.000 0.212 191 L C 3.052 179.975 176.870 0.089 0.000 1.103 191 L CA 1.402 56.304 54.840 0.104 0.000 0.769 191 L CB -0.709 41.387 42.059 0.061 0.000 0.908 191 L HN 0.262 nan 8.230 nan 0.000 0.438 192 A N -1.225 121.632 122.820 0.062 0.000 1.849 192 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 192 A C 1.564 179.191 177.584 0.072 0.000 1.202 192 A CA 1.358 53.426 52.037 0.052 0.000 0.629 192 A CB -1.229 17.792 19.000 0.035 0.000 0.834 192 A HN 0.458 nan 8.150 nan 0.000 0.447 193 S N -0.240 115.509 115.700 0.080 0.000 3.116 193 S HA -0.025 4.445 4.470 -0.000 0.000 0.367 193 S C 1.006 175.680 174.600 0.124 0.000 1.202 193 S CA 0.301 58.561 58.200 0.101 0.000 1.018 193 S CB -0.349 62.909 63.200 0.097 0.000 0.726 193 S HN 0.350 nan 8.310 nan 0.000 0.506 194 L N 4.241 125.540 121.223 0.126 0.000 2.131 194 L HA -0.088 4.251 4.340 -0.000 0.000 0.210 194 L C 2.181 179.096 176.870 0.073 0.000 1.092 194 L CA 1.457 56.349 54.840 0.085 0.000 0.759 194 L CB -0.604 41.476 42.059 0.036 0.000 0.903 194 L HN 0.774 nan 8.230 nan 0.000 0.435 195 H N -0.961 118.141 119.070 0.055 0.000 2.389 195 H HA -0.151 4.405 4.556 -0.000 0.000 0.299 195 H C 1.871 177.214 175.328 0.026 0.000 1.081 195 H CA 1.332 57.409 56.048 0.049 0.000 1.345 195 H CB 0.080 29.855 29.762 0.021 0.000 1.393 195 H HN 0.096 nan 8.280 nan 0.000 0.520 196 L N -0.058 121.245 121.223 0.133 0.000 2.044 196 L HA -0.099 4.241 4.340 -0.000 0.000 0.205 196 L C 2.048 178.946 176.870 0.046 0.000 1.075 196 L CA 1.097 55.950 54.840 0.021 0.000 0.747 196 L CB -0.585 41.520 42.059 0.077 0.000 0.903 196 L HN 0.076 nan 8.230 nan 0.000 0.435 197 V N -0.419 119.616 119.914 0.202 0.000 2.324 197 V HA -0.355 3.764 4.120 -0.000 0.000 0.250 197 V C 2.527 178.777 176.094 0.260 0.000 1.060 197 V CA 2.260 64.744 62.300 0.307 0.000 1.042 197 V CB -0.974 30.965 31.823 0.195 0.000 0.650 197 V HN 0.683 nan 8.190 nan 0.000 0.450 198 H N -0.280 118.828 119.070 0.064 0.000 2.512 198 H HA -0.031 4.525 4.556 -0.000 0.000 0.279 198 H C 1.907 177.253 175.328 0.030 0.000 0.999 198 H CA 1.004 57.076 56.048 0.039 0.000 1.283 198 H CB -0.026 29.713 29.762 -0.038 0.000 1.421 198 H HN 0.388 nan 8.280 nan 0.000 0.554 199 D N -0.222 120.115 120.400 -0.105 0.000 2.178 199 D HA -0.183 4.456 4.640 -0.000 0.000 0.201 199 D C 1.610 177.773 176.300 -0.228 0.000 0.980 199 D CA 0.944 54.804 54.000 -0.232 0.000 0.842 199 D CB -0.509 40.089 40.800 -0.336 0.000 0.948 199 D HN 0.542 nan 8.370 nan 0.000 0.472 200 W N 1.386 122.674 121.300 -0.020 0.000 2.363 200 W HA -0.107 4.552 4.660 -0.000 0.000 0.296 200 W C 2.192 178.725 176.519 0.024 0.000 1.212 200 W CA 0.173 57.521 57.345 0.004 0.000 1.260 200 W CB -0.348 29.115 29.460 0.006 0.000 1.131 200 W HN -0.065 nan 8.180 nan 0.000 0.530 201 N N 0.242 119.046 118.700 0.173 0.000 2.244 201 N HA -0.100 4.640 4.740 -0.000 0.000 0.183 201 N C 1.564 177.185 175.510 0.186 0.000 1.016 201 N CA 1.188 54.349 53.050 0.185 0.000 0.866 201 N CB -0.503 38.016 38.487 0.052 0.000 0.980 201 N HN 0.287 nan 8.380 nan 0.000 0.430 202 R N 0.356 120.827 120.500 -0.047 0.000 2.153 202 R HA -0.013 4.327 4.340 -0.000 0.000 0.218 202 R C 1.768 178.070 176.300 0.003 0.000 1.072 202 R CA 0.570 56.643 56.100 -0.045 0.000 0.990 202 R CB -0.013 30.219 30.300 -0.115 0.000 0.889 202 R HN 0.182 nan 8.270 nan 0.000 0.452 203 E N 1.131 121.361 120.200 0.049 0.000 2.077 203 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 203 E C 1.554 178.224 176.600 0.116 0.000 0.989 203 E CA 1.151 57.601 56.400 0.083 0.000 0.800 203 E CB -0.296 29.497 29.700 0.154 0.000 0.746 203 E HN 0.276 nan 8.360 nan 0.000 0.452 204 F N 0.125 120.112 119.950 0.062 0.000 2.134 204 F HA -0.151 4.376 4.527 -0.000 0.000 0.299 204 F C 1.874 177.679 175.800 0.008 0.000 1.097 204 F CA 1.466 59.492 58.000 0.043 0.000 1.264 204 F CB -0.568 38.467 39.000 0.058 0.000 1.001 204 F HN -0.043 nan 8.300 nan 0.000 0.479 205 V N 1.071 120.748 119.914 -0.394 0.000 2.407 205 V HA -0.258 3.861 4.120 -0.000 0.000 0.248 205 V C 2.672 178.580 176.094 -0.309 0.000 1.055 205 V CA 2.253 64.266 62.300 -0.477 0.000 1.049 205 V CB -0.795 30.914 31.823 -0.189 0.000 0.662 205 V HN 0.356 nan 8.190 nan 0.000 0.455 206 R N 0.113 120.508 120.500 -0.175 0.000 2.115 206 R HA -0.127 4.213 4.340 -0.000 0.000 0.226 206 R C 2.296 178.528 176.300 -0.114 0.000 1.100 206 R CA 1.867 57.899 56.100 -0.114 0.000 0.980 206 R CB -0.122 30.142 30.300 -0.060 0.000 0.875 206 R HN 0.713 nan 8.270 nan 0.000 0.445 207 T N -3.295 111.186 114.554 -0.122 0.000 3.014 207 T HA 0.109 4.459 4.350 -0.000 0.000 0.250 207 T C 0.811 175.441 174.700 -0.117 0.000 1.060 207 T CA -0.146 61.905 62.100 -0.082 0.000 1.040 207 T CB 0.317 69.175 68.868 -0.015 0.000 0.971 207 T HN 0.011 nan 8.240 nan 0.000 0.497 208 S N 2.568 118.122 115.700 -0.244 0.000 2.549 208 S HA 0.270 4.740 4.470 -0.000 0.000 0.279 208 S C -1.470 173.031 174.600 -0.166 0.000 1.321 208 S CA -1.219 56.836 58.200 -0.242 0.000 1.054 208 S CB 0.947 63.811 63.200 -0.561 0.000 0.899 208 S HN 0.099 nan 8.310 nan 0.000 0.497 209 P HA 0.059 nan 4.420 nan 0.000 0.220 209 P C 0.394 177.642 177.300 -0.087 0.000 1.148 209 P CA 0.916 63.970 63.100 -0.077 0.000 0.803 209 P CB 0.075 31.744 31.700 -0.051 0.000 0.782 210 A N -0.747 122.026 122.820 -0.080 0.000 2.507 210 A HA 0.438 4.757 4.320 -0.000 0.000 0.270 210 A C 2.045 179.552 177.584 -0.128 0.000 1.318 210 A CA 0.338 52.325 52.037 -0.082 0.000 0.924 210 A CB -1.103 17.898 19.000 0.001 0.000 1.061 210 A HN 0.195 nan 8.150 nan 0.000 0.516 211 G N 0.164 108.856 108.800 -0.179 0.000 2.450 211 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.220 211 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.220 211 G C 1.571 176.351 174.900 -0.200 0.000 1.130 211 G CA 1.143 46.107 45.100 -0.227 0.000 0.760 211 G HN 0.743 nan 8.290 nan 0.000 0.557 212 A N 0.641 123.346 122.820 -0.190 0.000 2.019 212 A HA -0.001 4.319 4.320 -0.000 0.000 0.219 212 A C 2.290 179.726 177.584 -0.246 0.000 1.164 212 A CA 1.957 53.889 52.037 -0.176 0.000 0.644 212 A CB -0.343 18.575 19.000 -0.136 0.000 0.805 212 A HN 0.320 nan 8.150 nan 0.000 0.449 213 R N -1.348 118.907 120.500 -0.409 0.000 2.152 213 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 213 R C 0.685 176.560 176.300 -0.709 0.000 1.117 213 R CA 1.715 57.426 56.100 -0.648 0.000 0.981 213 R CB -0.497 29.195 30.300 -1.014 0.000 0.870 213 R HN 0.609 nan 8.270 nan 0.000 0.451 214 Y N -1.305 118.863 120.300 -0.220 0.000 2.453 214 Y HA 0.341 4.891 4.550 -0.000 0.000 0.247 214 Y C 1.634 177.359 175.900 -0.291 0.000 1.124 214 Y CA -0.325 57.547 58.100 -0.380 0.000 1.243 214 Y CB 0.062 38.051 38.460 -0.785 0.000 1.213 214 Y HN 0.147 nan 8.280 nan 0.000 0.523 215 E N 1.155 121.304 120.200 -0.085 0.000 2.106 215 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 215 E C 2.282 178.890 176.600 0.012 0.000 0.984 215 E CA 1.109 57.483 56.400 -0.043 0.000 0.806 215 E CB 0.069 29.730 29.700 -0.065 0.000 0.750 215 E HN 0.405 nan 8.360 nan 0.000 0.458 216 A N 1.011 123.836 122.820 0.008 0.000 1.908 216 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 216 A C 2.099 179.731 177.584 0.079 0.000 1.181 216 A CA 1.242 53.299 52.037 0.033 0.000 0.627 216 A CB -0.575 18.438 19.000 0.022 0.000 0.818 216 A HN 0.369 nan 8.150 nan 0.000 0.445 217 L N -0.462 120.846 121.223 0.143 0.000 2.072 217 L HA 0.070 4.410 4.340 -0.000 0.000 0.205 217 L C 2.702 179.734 176.870 0.270 0.000 1.079 217 L CA 1.924 56.904 54.840 0.234 0.000 0.752 217 L CB -0.953 41.350 42.059 0.407 0.000 0.906 217 L HN 0.345 nan 8.230 nan 0.000 0.436 218 A N -1.693 121.350 122.820 0.373 0.000 1.940 218 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 218 A C 2.269 180.019 177.584 0.277 0.000 1.176 218 A CA 2.361 54.657 52.037 0.433 0.000 0.631 218 A CB -1.086 18.100 19.000 0.310 0.000 0.814 218 A HN 0.487 nan 8.150 nan 0.000 0.446 219 T N -0.964 113.668 114.554 0.130 0.000 2.812 219 T HA -0.080 4.270 4.350 -0.000 0.000 0.264 219 T C 1.856 176.552 174.700 -0.007 0.000 1.042 219 T CA 1.301 63.440 62.100 0.066 0.000 1.140 219 T CB -0.135 68.756 68.868 0.037 0.000 0.870 219 T HN 0.664 nan 8.240 nan 0.000 0.445 220 E N 0.499 120.671 120.200 -0.047 0.000 2.077 220 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 220 E C 2.089 178.439 176.600 -0.418 0.000 0.989 220 E CA 0.916 57.229 56.400 -0.145 0.000 0.800 220 E CB -0.173 29.483 29.700 -0.073 0.000 0.746 220 E HN 0.473 nan 8.360 nan 0.000 0.452 221 I N 0.980 121.197 120.570 -0.588 0.000 2.226 221 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 221 I C 2.274 178.064 176.117 -0.545 0.000 1.100 221 I CA 1.505 62.300 61.300 -0.842 0.000 1.374 221 I CB -0.256 37.251 38.000 -0.822 0.000 1.057 221 I HN 0.154 nan 8.210 nan 0.000 0.413 222 D N 0.767 120.992 120.400 -0.291 0.000 2.144 222 D HA -0.180 4.459 4.640 -0.000 0.000 0.199 222 D C 2.309 178.571 176.300 -0.063 0.000 0.984 222 D CA 1.385 55.325 54.000 -0.101 0.000 0.834 222 D CB 0.095 40.960 40.800 0.109 0.000 0.955 222 D HN 0.144 nan 8.370 nan 0.000 0.465 223 R N -0.633 119.830 120.500 -0.060 0.000 2.115 223 R HA 0.099 4.439 4.340 -0.000 0.000 0.226 223 R C 2.461 178.788 176.300 0.044 0.000 1.100 223 R CA 1.012 57.112 56.100 -0.001 0.000 0.980 223 R CB -0.314 29.975 30.300 -0.018 0.000 0.875 223 R HN 0.204 nan 8.270 nan 0.000 0.445 224 G N 1.027 109.821 108.800 -0.010 0.000 2.418 224 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 224 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 224 G C 1.384 176.363 174.900 0.131 0.000 1.158 224 G CA 0.486 45.658 45.100 0.121 0.000 0.771 224 G HN 0.125 nan 8.290 nan 0.000 0.545 225 L N -0.475 120.728 121.223 -0.035 0.000 2.056 225 L HA 0.016 4.356 4.340 -0.000 0.000 0.207 225 L C 3.170 180.115 176.870 0.126 0.000 1.078 225 L CA 0.883 55.658 54.840 -0.108 0.000 0.749 225 L CB -0.262 41.490 42.059 -0.511 0.000 0.901 225 L HN 0.131 nan 8.230 nan 0.000 0.433 226 R N -0.856 119.748 120.500 0.173 0.000 2.115 226 R HA -0.157 4.183 4.340 -0.000 0.000 0.230 226 R C 2.232 178.662 176.300 0.218 0.000 1.111 226 R CA 1.386 57.629 56.100 0.237 0.000 0.976 226 R CB -0.396 30.007 30.300 0.172 0.000 0.870 226 R HN 0.232 nan 8.270 nan 0.000 0.445 227 F N 1.210 121.196 119.950 0.060 0.000 2.102 227 F HA -0.235 4.292 4.527 -0.000 0.000 0.298 227 F C 2.420 178.253 175.800 0.054 0.000 1.105 227 F CA 1.453 59.483 58.000 0.049 0.000 1.239 227 F CB -0.042 38.985 39.000 0.044 0.000 0.991 227 F HN -0.076 nan 8.300 nan 0.000 0.474 228 M N -0.434 119.167 119.600 0.002 0.000 2.080 228 M HA -0.254 4.226 4.480 -0.000 0.000 0.260 228 M C 2.509 178.763 176.300 -0.077 0.000 1.068 228 M CA 2.207 57.452 55.300 -0.091 0.000 1.109 228 M CB -0.369 32.262 32.600 0.052 0.000 1.342 228 M HN 0.281 nan 8.290 nan 0.000 0.405 229 S N -0.095 115.623 115.700 0.030 0.000 2.383 229 S HA -0.071 4.399 4.470 -0.000 0.000 0.227 229 S C 1.920 176.495 174.600 -0.042 0.000 1.026 229 S CA 1.253 59.457 58.200 0.006 0.000 0.981 229 S CB -0.400 62.817 63.200 0.029 0.000 0.818 229 S HN 0.631 nan 8.310 nan 0.000 0.472 230 A N -0.042 122.752 122.820 -0.043 0.000 2.015 230 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 230 A C 2.171 179.683 177.584 -0.120 0.000 1.163 230 A CA 1.352 53.358 52.037 -0.051 0.000 0.646 230 A CB -1.108 17.902 19.000 0.017 0.000 0.806 230 A HN 0.710 nan 8.150 nan 0.000 0.448 231 C N -1.087 118.076 119.300 -0.229 0.000 2.573 231 C HA 0.439 4.898 4.460 -0.000 0.000 0.273 231 C C 2.022 176.934 174.990 -0.130 0.000 1.346 231 C CA 0.269 59.149 59.018 -0.231 0.000 1.702 231 C CB -1.260 26.252 27.740 -0.379 0.000 1.751 231 C HN 1.012 nan 8.230 nan 0.000 0.583 232 G N 0.215 108.959 108.800 -0.093 0.000 2.175 232 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.244 232 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.244 232 G C 0.257 175.127 174.900 -0.050 0.000 0.982 232 G CA 0.310 45.373 45.100 -0.061 0.000 0.641 232 G HN 0.351 nan 8.290 nan 0.000 0.527 242 E N 1.853 121.981 120.200 -0.119 0.000 2.165 242 E HA 0.596 4.946 4.350 -0.000 0.000 0.266 242 E C -1.090 175.311 176.600 -0.332 0.000 0.889 242 E CA -0.364 55.871 56.400 -0.276 0.000 0.756 242 E CB 2.193 31.687 29.700 -0.343 0.000 1.131 242 E HN 0.563 nan 8.360 nan 0.000 0.411 243 I N 3.633 123.995 120.570 -0.346 0.000 2.389 243 I HA 0.280 4.450 4.170 -0.000 0.000 0.288 243 I C -0.797 175.115 176.117 -0.341 0.000 0.999 243 I CA -0.862 60.293 61.300 -0.243 0.000 1.129 243 I CB 0.689 38.635 38.000 -0.091 0.000 1.288 243 I HN 0.445 nan 8.210 nan 0.000 0.444 244 Y N 4.218 124.487 120.300 -0.052 0.000 2.307 244 Y HA 0.572 5.122 4.550 -0.000 0.000 0.324 244 Y C 0.700 176.705 175.900 0.175 0.000 1.238 244 Y CA -0.525 57.549 58.100 -0.043 0.000 1.280 244 Y CB 1.090 39.465 38.460 -0.141 0.000 1.248 244 Y HN 0.558 nan 8.280 nan 0.000 0.508 245 A N 1.735 124.911 122.820 0.593 0.000 2.306 245 A HA 0.752 5.071 4.320 -0.000 0.000 0.314 245 A C -0.427 177.349 177.584 0.320 0.000 1.164 245 A CA -0.210 52.047 52.037 0.366 0.000 0.822 245 A CB 0.383 19.555 19.000 0.286 0.000 1.130 245 A HN 0.769 nan 8.150 nan 0.000 0.496 246 S N 1.360 117.220 115.700 0.266 0.000 2.570 246 S HA 0.873 5.343 4.470 -0.000 0.000 0.270 246 S C -0.894 173.857 174.600 0.251 0.000 1.149 246 S CA -0.617 57.720 58.200 0.230 0.000 0.837 246 S CB 1.574 64.963 63.200 0.316 0.000 1.124 246 S HN 1.502 nan 8.310 nan 0.000 0.465 247 H N -0.497 118.553 119.070 -0.034 0.000 2.967 247 H HA 0.481 5.036 4.556 -0.000 0.000 0.318 247 H C -1.283 173.335 175.328 -1.183 0.000 1.375 247 H CA -0.619 55.181 56.048 -0.413 0.000 1.132 247 H CB 1.103 30.741 29.762 -0.207 0.000 1.848 247 H HN 0.859 nan 8.280 nan 0.000 0.524 248 E N 1.190 120.511 120.200 -1.465 0.000 2.299 248 E HA 0.374 4.724 4.350 -0.000 0.000 0.272 248 E C -0.320 175.976 176.600 -0.507 0.000 1.043 248 E CA -0.443 55.082 56.400 -1.459 0.000 0.895 248 E CB 0.432 29.573 29.700 -0.932 0.000 1.011 248 E HN 0.621 nan 8.360 nan 0.000 0.432 249 A N 5.609 128.177 122.820 -0.420 0.000 2.545 249 A HA 0.084 4.404 4.320 -0.000 0.000 0.297 249 A C 0.224 177.789 177.584 -0.032 0.000 1.340 249 A CA -0.205 51.768 52.037 -0.107 0.000 1.016 249 A CB -0.010 18.960 19.000 -0.050 0.000 1.122 249 A HN 0.741 nan 8.150 nan 0.000 0.537 250 L N 3.995 125.219 121.223 0.001 0.000 2.588 250 L HA 0.294 4.634 4.340 -0.000 0.000 0.194 250 L C 0.512 177.449 176.870 0.112 0.000 1.070 250 L CA 1.222 56.075 54.840 0.022 0.000 0.852 250 L CB 0.308 42.320 42.059 -0.079 0.000 1.199 250 L HN 0.301 nan 8.230 nan 0.000 0.486 251 V N 2.648 122.590 119.914 0.047 0.000 2.353 251 V HA 0.126 4.246 4.120 -0.000 0.000 0.264 251 V C 1.381 177.493 176.094 0.029 0.000 1.049 251 V CA -0.017 62.312 62.300 0.048 0.000 0.896 251 V CB 0.893 32.763 31.823 0.079 0.000 1.025 251 V HN 0.308 nan 8.190 nan 0.000 0.475 252 L N 2.061 123.237 121.223 -0.079 0.000 2.275 252 L HA -0.056 4.284 4.340 -0.000 0.000 0.215 252 L C 1.943 178.756 176.870 -0.095 0.000 1.119 252 L CA 0.861 55.557 54.840 -0.241 0.000 0.790 252 L CB -0.214 41.636 42.059 -0.348 0.000 0.919 252 L HN 0.601 nan 8.230 nan 0.000 0.443 253 D N -0.595 119.845 120.400 0.067 0.000 2.144 253 D HA -0.226 4.414 4.640 -0.000 0.000 0.199 253 D C 1.870 178.253 176.300 0.137 0.000 0.984 253 D CA 1.305 55.386 54.000 0.135 0.000 0.834 253 D CB 0.038 41.010 40.800 0.286 0.000 0.955 253 D HN 0.311 nan 8.370 nan 0.000 0.465 254 Y N 1.825 122.155 120.300 0.051 0.000 2.184 254 Y HA -0.119 4.431 4.550 -0.000 0.000 0.290 254 Y C 2.130 178.055 175.900 0.042 0.000 1.129 254 Y CA 1.246 59.377 58.100 0.051 0.000 1.144 254 Y CB 0.140 38.644 38.460 0.075 0.000 0.995 254 Y HN -0.186 nan 8.280 nan 0.000 0.513 255 E N 0.732 120.962 120.200 0.050 0.000 2.106 255 E HA -0.212 4.137 4.350 -0.000 0.000 0.192 255 E C 2.239 178.876 176.600 0.062 0.000 0.984 255 E CA 1.609 58.006 56.400 -0.006 0.000 0.806 255 E CB -0.481 29.110 29.700 -0.183 0.000 0.750 255 E HN 0.684 nan 8.360 nan 0.000 0.458 256 R N 0.944 121.449 120.500 0.008 0.000 2.092 256 R HA 0.105 4.445 4.340 -0.000 0.000 0.231 256 R C 2.217 178.548 176.300 0.052 0.000 1.119 256 R CA 1.300 57.487 56.100 0.144 0.000 0.970 256 R CB -0.501 29.867 30.300 0.113 0.000 0.864 256 R HN 0.055 nan 8.270 nan 0.000 0.440 257 A N 1.338 124.139 122.820 -0.032 0.000 2.019 257 A HA 0.001 4.320 4.320 -0.000 0.000 0.219 257 A C 1.884 179.390 177.584 -0.131 0.000 1.164 257 A CA 1.090 53.074 52.037 -0.088 0.000 0.644 257 A CB -0.163 18.764 19.000 -0.122 0.000 0.805 257 A HN 0.279 nan 8.150 nan 0.000 0.449 258 M N -0.213 119.295 119.600 -0.152 0.000 2.453 258 M HA 0.333 4.813 4.480 -0.000 0.000 0.239 258 M C -0.129 176.159 176.300 -0.020 0.000 1.151 258 M CA 0.024 55.238 55.300 -0.144 0.000 0.989 258 M CB -0.794 31.654 32.600 -0.252 0.000 1.548 258 M HN 0.207 nan 8.290 nan 0.000 0.479 259 L N 1.710 122.949 121.223 0.027 0.000 2.397 259 L HA 0.256 4.596 4.340 -0.000 0.000 0.271 259 L C 0.397 177.288 176.870 0.034 0.000 1.148 259 L CA -0.002 54.871 54.840 0.055 0.000 0.825 259 L CB 0.392 42.486 42.059 0.059 0.000 1.117 259 L HN 0.126 nan 8.230 nan 0.000 0.456 260 R N 2.602 123.142 120.500 0.065 0.000 2.698 260 R HA 0.469 4.809 4.340 -0.000 0.000 0.275 260 R C -1.369 174.995 176.300 0.107 0.000 1.001 260 R CA -1.050 55.083 56.100 0.056 0.000 0.896 260 R CB 2.074 32.392 30.300 0.031 0.000 1.218 260 R HN 0.324 nan 8.270 nan 0.000 0.462 261 L N 0.699 121.967 121.223 0.074 0.000 2.326 261 L HA 0.528 4.868 4.340 -0.000 0.000 0.278 261 L C -0.216 176.714 176.870 0.099 0.000 1.092 261 L CA 0.598 55.498 54.840 0.099 0.000 0.810 261 L CB 1.298 43.386 42.059 0.049 0.000 1.153 261 L HN 0.663 nan 8.230 nan 0.000 0.439 262 S N 2.057 117.863 115.700 0.177 0.000 2.565 262 S HA 0.433 4.903 4.470 -0.000 0.000 0.269 262 S C -1.781 172.930 174.600 0.185 0.000 1.153 262 S CA -0.861 57.391 58.200 0.086 0.000 0.835 262 S CB 1.036 64.142 63.200 -0.156 0.000 1.122 262 S HN 0.650 nan 8.310 nan 0.000 0.462 263 D N 2.117 122.572 120.400 0.091 0.000 2.383 263 D HA 0.431 5.071 4.640 -0.000 0.000 0.252 263 D C 0.770 177.176 176.300 0.176 0.000 1.166 263 D CA 0.423 54.485 54.000 0.103 0.000 0.879 263 D CB 0.987 41.813 40.800 0.043 0.000 1.164 263 D HN 0.574 nan 8.370 nan 0.000 0.462 264 G N 0.130 109.052 108.800 0.204 0.000 2.509 264 G HA2 0.349 4.309 3.960 -0.000 0.000 0.269 264 G HA3 0.349 4.309 3.960 -0.000 0.000 0.269 264 G C 0.854 175.830 174.900 0.127 0.000 1.416 264 G CA 0.056 45.310 45.100 0.258 0.000 1.052 264 G HN 0.480 nan 8.290 nan 0.000 0.542 265 D N -0.804 119.652 120.400 0.094 0.000 2.378 265 D HA 0.100 4.740 4.640 -0.000 0.000 0.227 265 D C 1.231 177.532 176.300 0.002 0.000 1.012 265 D CA 1.328 55.353 54.000 0.042 0.000 0.905 265 D CB -0.297 40.521 40.800 0.030 0.000 0.895 265 D HN 0.432 nan 8.370 nan 0.000 0.532 266 D N -3.501 116.894 120.400 -0.008 0.000 2.503 266 D HA 0.293 4.933 4.640 -0.000 0.000 0.218 266 D C 1.561 177.854 176.300 -0.013 0.000 1.183 266 D CA 0.584 54.567 54.000 -0.028 0.000 0.827 266 D CB -0.144 40.617 40.800 -0.066 0.000 1.034 266 D HN 0.542 nan 8.370 nan 0.000 0.510 267 G N 0.164 108.969 108.800 0.007 0.000 2.184 267 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.264 267 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.264 267 G C -0.104 174.802 174.900 0.011 0.000 0.975 267 G CA 0.148 45.255 45.100 0.010 0.000 0.642 267 G HN 0.345 nan 8.290 nan 0.000 0.536 268 E N 0.946 121.150 120.200 0.006 0.000 2.216 268 E HA 0.427 4.777 4.350 -0.000 0.000 0.279 268 E C -2.419 174.196 176.600 0.024 0.000 0.997 268 E CA -2.352 54.050 56.400 0.004 0.000 0.817 268 E CB 1.067 30.758 29.700 -0.015 0.000 1.096 268 E HN 0.069 nan 8.360 nan 0.000 0.393 269 P HA -0.065 nan 4.420 nan 0.000 0.260 269 P C -0.580 176.740 177.300 0.033 0.000 1.172 269 P CA 0.774 63.901 63.100 0.046 0.000 0.760 269 P CB 0.431 32.148 31.700 0.027 0.000 0.773 270 Q N 1.601 121.445 119.800 0.073 0.000 2.456 270 Q HA 0.483 4.823 4.340 -0.000 0.000 0.283 270 Q C -0.750 175.242 176.000 -0.013 0.000 1.084 270 Q CA -1.091 54.689 55.803 -0.039 0.000 0.801 270 Q CB 2.025 30.657 28.738 -0.177 0.000 1.434 270 Q HN 0.321 nan 8.270 nan 0.000 0.419 271 L N 2.046 123.182 121.223 -0.145 0.000 2.281 271 L HA 0.410 4.750 4.340 -0.000 0.000 0.285 271 L C -1.015 175.713 176.870 -0.238 0.000 1.074 271 L CA -0.139 54.643 54.840 -0.098 0.000 0.817 271 L CB 0.236 42.211 42.059 -0.140 0.000 1.168 271 L HN 0.425 nan 8.230 nan 0.000 0.434 272 F N 1.238 121.156 119.950 -0.053 0.000 2.458 272 F HA 0.238 4.764 4.527 -0.000 0.000 0.336 272 F C 0.446 176.232 175.800 -0.023 0.000 1.114 272 F CA -0.868 57.111 58.000 -0.036 0.000 0.987 272 F CB 1.325 40.317 39.000 -0.014 0.000 1.130 272 F HN 0.345 nan 8.300 nan 0.000 0.458 273 D N 4.030 124.515 120.400 0.141 0.000 2.336 273 D HA 0.181 4.820 4.640 -0.000 0.000 0.249 273 D C 0.218 176.600 176.300 0.136 0.000 1.213 273 D CA 0.178 54.261 54.000 0.139 0.000 0.870 273 D CB 0.707 41.608 40.800 0.168 0.000 1.076 273 D HN 0.531 nan 8.370 nan 0.000 0.483 274 L N 3.157 124.439 121.223 0.099 0.000 2.728 274 L HA 0.048 4.388 4.340 -0.000 0.000 0.235 274 L C 1.852 178.757 176.870 0.058 0.000 1.197 274 L CA -0.096 54.779 54.840 0.059 0.000 0.992 274 L CB -0.104 41.975 42.059 0.034 0.000 1.263 274 L HN 0.318 nan 8.230 nan 0.000 0.484 275 S N -0.862 114.898 115.700 0.100 0.000 2.527 275 S HA 0.337 4.807 4.470 -0.000 0.000 0.222 275 S C 0.752 175.513 174.600 0.268 0.000 0.985 275 S CA 0.273 58.596 58.200 0.205 0.000 0.921 275 S CB 0.326 63.694 63.200 0.281 0.000 0.772 275 S HN 0.360 nan 8.310 nan 0.000 0.529 276 A N -0.276 122.618 122.820 0.123 0.000 2.467 276 A HA 0.668 4.988 4.320 -0.000 0.000 0.301 276 A C -0.278 177.262 177.584 -0.073 0.000 1.126 276 A CA -0.508 51.560 52.037 0.051 0.000 0.632 276 A CB -0.266 18.785 19.000 0.086 0.000 1.331 276 A HN 0.256 nan 8.150 nan 0.000 0.482 277 H N -0.760 118.399 119.070 0.149 0.000 2.418 277 H HA 0.347 4.903 4.556 -0.000 0.000 0.300 277 H C 0.748 176.116 175.328 0.067 0.000 1.041 277 H CA 1.675 57.803 56.048 0.134 0.000 1.364 277 H CB 0.628 30.511 29.762 0.202 0.000 1.439 277 H HN 0.642 nan 8.280 nan 0.000 0.540 278 T N 0.491 115.143 114.554 0.164 0.000 2.903 278 T HA 0.543 4.893 4.350 -0.000 0.000 0.299 278 T C -1.433 173.290 174.700 0.038 0.000 1.093 278 T CA -0.563 61.590 62.100 0.087 0.000 1.002 278 T CB 1.071 69.982 68.868 0.072 0.000 1.127 278 T HN 0.116 nan 8.240 nan 0.000 0.488 279 V N 1.555 121.480 119.914 0.017 0.000 3.102 279 V HA 1.039 5.158 4.120 -0.000 0.000 0.312 279 V C -1.305 174.850 176.094 0.103 0.000 1.135 279 V CA -1.227 61.021 62.300 -0.086 0.000 1.022 279 V CB 1.572 33.262 31.823 -0.222 0.000 1.056 279 V HN 1.110 nan 8.190 nan 0.000 0.436 280 W N 1.273 122.554 121.300 -0.032 0.000 2.902 280 W HA 0.926 5.586 4.660 -0.000 0.000 0.346 280 W C -1.625 174.878 176.519 -0.028 0.000 1.139 280 W CA -1.531 55.800 57.345 -0.024 0.000 1.139 280 W CB 1.211 30.668 29.460 -0.004 0.000 1.439 280 W HN 0.621 nan 8.180 nan 0.000 0.558 281 I N 2.902 123.571 120.570 0.166 0.000 2.406 281 I HA 0.520 4.690 4.170 -0.000 0.000 0.290 281 I C 0.916 177.089 176.117 0.094 0.000 0.999 281 I CA -0.826 60.491 61.300 0.028 0.000 1.124 281 I CB 1.351 39.360 38.000 0.016 0.000 1.289 281 I HN 0.793 nan 8.210 nan 0.000 0.441 282 G N 3.195 112.005 108.800 0.017 0.000 2.616 282 G HA2 0.086 4.046 3.960 -0.000 0.000 0.268 282 G HA3 0.086 4.046 3.960 -0.000 0.000 0.268 282 G C 0.631 175.500 174.900 -0.050 0.000 1.213 282 G CA -0.151 44.968 45.100 0.031 0.000 0.926 282 G HN 0.731 nan 8.290 nan 0.000 0.523 283 E N -0.490 119.677 120.200 -0.055 0.000 2.118 283 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 283 E C 2.368 178.943 176.600 -0.042 0.000 0.992 283 E CA 1.296 57.667 56.400 -0.049 0.000 0.804 283 E CB 0.037 29.709 29.700 -0.046 0.000 0.741 283 E HN 0.515 nan 8.360 nan 0.000 0.458 284 R N -1.176 119.286 120.500 -0.063 0.000 2.317 284 R HA 0.109 4.449 4.340 -0.000 0.000 0.208 284 R C 0.972 177.215 176.300 -0.095 0.000 0.914 284 R CA 1.165 57.229 56.100 -0.061 0.000 1.060 284 R CB 0.466 30.731 30.300 -0.059 0.000 1.015 284 R HN 0.197 nan 8.270 nan 0.000 0.498 285 T N -2.364 112.097 114.554 -0.155 0.000 3.111 285 T HA 0.098 4.448 4.350 -0.000 0.000 0.284 285 T C 1.016 175.641 174.700 -0.125 0.000 0.983 285 T CA -0.618 61.320 62.100 -0.269 0.000 0.900 285 T CB 0.146 68.566 68.868 -0.747 0.000 1.132 285 T HN 0.213 nan 8.240 nan 0.000 0.531 286 R N 0.893 121.373 120.500 -0.032 0.000 2.449 286 R HA 0.337 4.676 4.340 -0.000 0.000 0.262 286 R C -0.415 175.999 176.300 0.191 0.000 1.006 286 R CA -0.554 55.579 56.100 0.055 0.000 1.104 286 R CB -0.507 29.767 30.300 -0.043 0.000 1.206 286 R HN 0.200 nan 8.270 nan 0.000 0.538 287 Q N 0.943 120.822 119.800 0.133 0.000 2.308 287 Q HA -0.077 4.263 4.340 -0.000 0.000 0.313 287 Q C 0.878 176.968 176.000 0.150 0.000 1.075 287 Q CA 0.083 55.962 55.803 0.126 0.000 0.995 287 Q CB 0.645 29.436 28.738 0.088 0.000 1.107 287 Q HN 0.308 nan 8.270 nan 0.000 0.380 288 I N 1.983 122.613 120.570 0.100 0.000 2.361 288 I HA -0.216 3.954 4.170 -0.000 0.000 0.251 288 I C 0.485 176.624 176.117 0.038 0.000 1.133 288 I CA 1.581 62.902 61.300 0.035 0.000 1.413 288 I CB 0.190 38.095 38.000 -0.158 0.000 1.073 288 I HN 0.624 nan 8.210 nan 0.000 0.424 289 D N 0.616 121.036 120.400 0.034 0.000 2.427 289 D HA 0.241 4.880 4.640 -0.000 0.000 0.224 289 D C 0.674 177.005 176.300 0.051 0.000 1.157 289 D CA 0.224 54.243 54.000 0.031 0.000 0.828 289 D CB 0.019 40.827 40.800 0.013 0.000 0.974 289 D HN 0.347 nan 8.370 nan 0.000 0.498 290 G N -0.232 108.617 108.800 0.082 0.000 2.522 290 G HA2 0.426 4.386 3.960 -0.000 0.000 0.304 290 G HA3 0.426 4.386 3.960 -0.000 0.000 0.304 290 G C 1.035 175.993 174.900 0.097 0.000 1.210 290 G CA -0.117 45.041 45.100 0.097 0.000 0.960 290 G HN 0.046 nan 8.290 nan 0.000 0.497 291 A N -0.840 122.018 122.820 0.064 0.000 1.969 291 A HA -0.006 4.313 4.320 -0.000 0.000 0.218 291 A C 1.959 179.536 177.584 -0.011 0.000 1.169 291 A CA 1.892 53.925 52.037 -0.006 0.000 0.635 291 A CB -0.664 18.270 19.000 -0.111 0.000 0.810 291 A HN 0.747 nan 8.150 nan 0.000 0.445 292 H N -0.427 118.680 119.070 0.062 0.000 2.326 292 H HA -0.001 4.555 4.556 -0.000 0.000 0.301 292 H C 1.930 177.334 175.328 0.128 0.000 1.081 292 H CA 1.621 57.711 56.048 0.069 0.000 1.334 292 H CB -0.057 29.715 29.762 0.017 0.000 1.385 292 H HN 0.328 nan 8.280 nan 0.000 0.504 293 I N 0.581 121.293 120.570 0.237 0.000 2.252 293 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 293 I C 2.529 178.734 176.117 0.146 0.000 1.102 293 I CA 1.241 62.653 61.300 0.187 0.000 1.385 293 I CB -1.222 36.903 38.000 0.210 0.000 1.064 293 I HN 0.291 nan 8.210 nan 0.000 0.414 294 A N 0.508 123.405 122.820 0.128 0.000 1.902 294 A HA -0.259 4.060 4.320 -0.000 0.000 0.217 294 A C 2.304 179.946 177.584 0.096 0.000 1.181 294 A CA 1.305 53.395 52.037 0.088 0.000 0.623 294 A CB -1.084 17.958 19.000 0.071 0.000 0.818 294 A HN 0.371 nan 8.150 nan 0.000 0.443 295 F N 1.027 120.970 119.950 -0.012 0.000 2.126 295 F HA -0.127 4.400 4.527 -0.000 0.000 0.299 295 F C 2.525 178.317 175.800 -0.014 0.000 1.096 295 F CA 1.359 59.345 58.000 -0.024 0.000 1.255 295 F CB -0.321 38.650 39.000 -0.049 0.000 0.997 295 F HN 0.250 nan 8.300 nan 0.000 0.479 296 A N -0.241 122.685 122.820 0.177 0.000 1.978 296 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 296 A C 2.069 179.629 177.584 -0.040 0.000 1.170 296 A CA 1.876 53.952 52.037 0.066 0.000 0.636 296 A CB -0.780 18.286 19.000 0.111 0.000 0.810 296 A HN 0.640 nan 8.150 nan 0.000 0.448 297 Q N -0.759 119.023 119.800 -0.031 0.000 2.297 297 Q HA -0.012 4.328 4.340 -0.000 0.000 0.204 297 Q C 1.679 177.617 176.000 -0.103 0.000 0.962 297 Q CA 1.191 56.965 55.803 -0.049 0.000 0.879 297 Q CB -0.035 28.690 28.738 -0.021 0.000 0.947 297 Q HN 0.540 nan 8.270 nan 0.000 0.462 298 V N 1.207 121.012 119.914 -0.183 0.000 3.174 298 V HA 0.033 4.153 4.120 -0.000 0.000 0.254 298 V C 1.173 177.089 176.094 -0.296 0.000 1.120 298 V CA 0.426 62.589 62.300 -0.229 0.000 1.114 298 V CB -0.282 31.381 31.823 -0.265 0.000 0.756 298 V HN 0.305 nan 8.190 nan 0.000 0.467 299 I N -1.707 118.654 120.570 -0.349 0.000 2.577 299 I HA 0.679 4.849 4.170 -0.000 0.000 0.300 299 I C 1.215 177.139 176.117 -0.321 0.000 0.990 299 I CA -0.360 60.725 61.300 -0.358 0.000 1.283 299 I CB 1.611 39.404 38.000 -0.346 0.000 1.411 299 I HN -0.059 nan 8.210 nan 0.000 0.515 300 A N 3.716 126.235 122.820 -0.501 0.000 2.169 300 A HA 0.110 4.430 4.320 -0.000 0.000 0.212 300 A C 0.749 178.151 177.584 -0.303 0.000 1.153 300 A CA 0.174 51.876 52.037 -0.559 0.000 0.756 300 A CB -1.041 17.192 19.000 -1.279 0.000 0.813 300 A HN 0.877 nan 8.150 nan 0.000 0.471 301 N N 1.185 119.777 118.700 -0.180 0.000 2.416 301 N HA 0.306 5.046 4.740 -0.000 0.000 0.246 301 N C -2.823 172.675 175.510 -0.020 0.000 1.260 301 N CA -0.794 52.248 53.050 -0.014 0.000 0.897 301 N CB -0.157 38.349 38.487 0.032 0.000 1.110 301 N HN 0.107 nan 8.380 nan 0.000 0.439 302 P HA 0.036 nan 4.420 nan 0.000 0.268 302 P C -0.735 176.569 177.300 0.006 0.000 1.205 302 P CA -0.230 62.863 63.100 -0.011 0.000 0.771 302 P CB 0.578 32.260 31.700 -0.030 0.000 0.858 303 V N 0.060 119.977 119.914 0.005 0.000 3.001 303 V HA 0.992 5.112 4.120 -0.000 0.000 0.314 303 V C -0.041 176.071 176.094 0.031 0.000 1.099 303 V CA -0.895 61.425 62.300 0.032 0.000 0.989 303 V CB 1.961 33.800 31.823 0.028 0.000 1.040 303 V HN 0.643 nan 8.190 nan 0.000 0.434 304 G N 0.524 109.376 108.800 0.087 0.000 2.519 304 G HA2 0.681 4.641 3.960 -0.000 0.000 0.307 304 G HA3 0.681 4.641 3.960 -0.000 0.000 0.307 304 G C -1.569 173.369 174.900 0.064 0.000 1.266 304 G CA -0.852 44.286 45.100 0.064 0.000 0.970 304 G HN 1.028 nan 8.290 nan 0.000 0.481 305 V N 2.108 121.995 119.914 -0.045 0.000 2.531 305 V HA 0.405 4.525 4.120 -0.000 0.000 0.301 305 V C -0.600 175.420 176.094 -0.124 0.000 1.034 305 V CA -1.254 60.971 62.300 -0.125 0.000 0.865 305 V CB 1.902 33.515 31.823 -0.350 0.000 0.995 305 V HN 0.589 nan 8.190 nan 0.000 0.424 306 K N 5.124 125.467 120.400 -0.095 0.000 2.322 306 K HA 0.515 4.835 4.320 -0.000 0.000 0.283 306 K C -0.806 175.733 176.600 -0.100 0.000 1.042 306 K CA -0.026 56.195 56.287 -0.110 0.000 0.958 306 K CB 1.086 33.520 32.500 -0.110 0.000 0.984 306 K HN 0.518 nan 8.250 nan 0.000 0.473 307 L N 2.359 123.549 121.223 -0.054 0.000 2.342 307 L HA 0.405 4.745 4.340 -0.000 0.000 0.276 307 L C 0.840 177.717 176.870 0.013 0.000 0.997 307 L CA -0.805 54.033 54.840 -0.003 0.000 0.838 307 L CB 1.771 43.864 42.059 0.057 0.000 1.224 307 L HN 0.649 nan 8.230 nan 0.000 0.416 308 G N 2.383 111.191 108.800 0.013 0.000 2.568 308 G HA2 0.449 4.409 3.960 -0.000 0.000 0.293 308 G HA3 0.449 4.409 3.960 -0.000 0.000 0.293 308 G C -1.830 173.083 174.900 0.022 0.000 1.347 308 G CA -0.937 44.172 45.100 0.015 0.000 1.039 308 G HN 0.423 nan 8.290 nan 0.000 0.523 309 P HA -0.070 nan 4.420 nan 0.000 0.230 309 P C 0.846 178.152 177.300 0.009 0.000 1.158 309 P CA 0.736 63.835 63.100 -0.001 0.000 0.769 309 P CB 0.105 31.793 31.700 -0.019 0.000 0.807 310 N N -0.800 117.913 118.700 0.022 0.000 2.322 310 N HA 0.015 4.755 4.740 -0.000 0.000 0.194 310 N C 0.374 175.908 175.510 0.042 0.000 1.126 310 N CA -0.222 52.844 53.050 0.027 0.000 0.845 310 N CB -0.634 37.870 38.487 0.028 0.000 0.976 310 N HN 0.029 nan 8.380 nan 0.000 0.475 311 M N 2.366 121.997 119.600 0.051 0.000 2.228 311 M HA 0.136 4.616 4.480 -0.000 0.000 0.351 311 M C -0.056 176.281 176.300 0.061 0.000 1.233 311 M CA -0.157 55.189 55.300 0.077 0.000 1.129 311 M CB 0.675 33.333 32.600 0.097 0.000 1.604 311 M HN 0.243 nan 8.290 nan 0.000 0.457 312 T N 3.225 117.817 114.554 0.063 0.000 2.929 312 T HA 0.569 4.919 4.350 -0.000 0.000 0.284 312 T C -2.161 172.575 174.700 0.059 0.000 1.014 312 T CA -1.779 60.348 62.100 0.045 0.000 1.051 312 T CB 1.028 69.912 68.868 0.026 0.000 1.028 312 T HN 0.531 nan 8.240 nan 0.000 0.485 313 P HA -0.096 nan 4.420 nan 0.000 0.217 313 P C 1.051 178.381 177.300 0.050 0.000 1.148 313 P CA 1.070 64.205 63.100 0.059 0.000 0.828 313 P CB 0.121 31.842 31.700 0.036 0.000 0.783 314 E N -1.079 119.136 120.200 0.025 0.000 2.072 314 E HA -0.102 4.247 4.350 -0.000 0.000 0.190 314 E C 1.823 178.409 176.600 -0.022 0.000 0.982 314 E CA 0.611 57.012 56.400 0.001 0.000 0.803 314 E CB -1.130 28.564 29.700 -0.009 0.000 0.755 314 E HN 0.104 nan 8.360 nan 0.000 0.453 315 L N 0.519 121.730 121.223 -0.020 0.000 2.093 315 L HA 0.002 4.341 4.340 -0.000 0.000 0.208 315 L C 2.031 178.885 176.870 -0.027 0.000 1.085 315 L CA 1.721 56.508 54.840 -0.087 0.000 0.755 315 L CB -0.799 41.230 42.059 -0.049 0.000 0.904 315 L HN 0.119 nan 8.230 nan 0.000 0.435 316 A N -1.075 121.822 122.820 0.128 0.000 1.883 316 A HA -0.195 4.124 4.320 -0.000 0.000 0.217 316 A C 2.283 179.944 177.584 0.129 0.000 1.186 316 A CA 2.198 54.369 52.037 0.223 0.000 0.624 316 A CB -1.164 17.962 19.000 0.210 0.000 0.822 316 A HN 0.284 nan 8.150 nan 0.000 0.444 317 V N -0.040 119.905 119.914 0.052 0.000 2.343 317 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 317 V C 2.608 178.664 176.094 -0.064 0.000 1.051 317 V CA 2.488 64.782 62.300 -0.009 0.000 1.036 317 V CB -0.732 31.087 31.823 -0.007 0.000 0.654 317 V HN 0.738 nan 8.190 nan 0.000 0.451 318 E N -0.403 119.739 120.200 -0.097 0.000 2.077 318 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 318 E C 1.995 178.504 176.600 -0.152 0.000 0.989 318 E CA 1.618 57.923 56.400 -0.158 0.000 0.800 318 E CB -0.390 29.174 29.700 -0.228 0.000 0.746 318 E HN 0.662 nan 8.360 nan 0.000 0.452 319 Y N -0.280 119.991 120.300 -0.048 0.000 2.128 319 Y HA -0.199 4.351 4.550 -0.000 0.000 0.284 319 Y C 2.419 178.264 175.900 -0.091 0.000 1.154 319 Y CA 1.319 59.388 58.100 -0.052 0.000 1.149 319 Y CB -0.872 37.568 38.460 -0.035 0.000 0.976 319 Y HN -0.042 nan 8.280 nan 0.000 0.505 320 V N 0.013 119.944 119.914 0.028 0.000 2.332 320 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 320 V C 2.013 177.967 176.094 -0.233 0.000 1.055 320 V CA 2.218 64.438 62.300 -0.134 0.000 1.038 320 V CB -0.553 31.138 31.823 -0.221 0.000 0.651 320 V HN 0.422 nan 8.190 nan 0.000 0.450 321 E N -0.587 119.486 120.200 -0.211 0.000 2.158 321 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 321 E C 2.487 179.026 176.600 -0.101 0.000 0.982 321 E CA 0.549 56.836 56.400 -0.189 0.000 0.823 321 E CB -0.053 29.562 29.700 -0.141 0.000 0.766 321 E HN 0.527 nan 8.360 nan 0.000 0.468 322 R N 0.085 120.544 120.500 -0.067 0.000 2.093 322 R HA 0.027 4.367 4.340 -0.000 0.000 0.224 322 R C 2.155 178.441 176.300 -0.023 0.000 1.101 322 R CA 0.740 56.817 56.100 -0.038 0.000 0.979 322 R CB 0.023 30.317 30.300 -0.011 0.000 0.877 322 R HN 0.172 nan 8.270 nan 0.000 0.441 323 L N -0.362 120.858 121.223 -0.005 0.000 2.354 323 L HA 0.053 4.393 4.340 -0.000 0.000 0.212 323 L C 0.538 177.403 176.870 -0.008 0.000 1.091 323 L CA 0.474 55.316 54.840 0.003 0.000 0.828 323 L CB 0.249 42.324 42.059 0.026 0.000 0.973 323 L HN -0.008 nan 8.230 nan 0.000 0.461 324 D N -0.193 120.198 120.400 -0.016 0.000 2.943 324 D HA 0.117 4.757 4.640 -0.000 0.000 0.347 324 D C -1.534 174.811 176.300 0.075 0.000 1.305 324 D CA -1.809 52.218 54.000 0.046 0.000 0.870 324 D CB 0.586 41.447 40.800 0.101 0.000 1.081 324 D HN -0.025 nan 8.370 nan 0.000 0.492 325 P HA -0.113 nan 4.420 nan 0.000 0.221 325 P C 0.485 177.668 177.300 -0.194 0.000 1.150 325 P CA 1.008 64.017 63.100 -0.151 0.000 0.800 325 P CB 0.107 31.608 31.700 -0.331 0.000 0.787 326 H N -1.528 117.574 119.070 0.053 0.000 2.529 326 H HA 0.167 4.723 4.556 -0.000 0.000 0.277 326 H C 0.307 175.624 175.328 -0.018 0.000 1.004 326 H CA -0.193 55.862 56.048 0.012 0.000 1.167 326 H CB -0.423 29.335 29.762 -0.007 0.000 1.445 326 H HN -0.042 nan 8.280 nan 0.000 0.554 327 N N 1.928 120.667 118.700 0.065 0.000 2.681 327 N HA -0.173 4.567 4.740 -0.000 0.000 0.259 327 N C -1.318 174.184 175.510 -0.013 0.000 1.066 327 N CA 0.251 53.247 53.050 -0.090 0.000 0.717 327 N CB -0.659 37.655 38.487 -0.289 0.000 0.885 327 N HN 0.258 nan 8.380 nan 0.000 0.547 328 K N 1.433 121.859 120.400 0.043 0.000 2.299 328 K HA 0.387 4.707 4.320 -0.000 0.000 0.268 328 K C -2.383 174.222 176.600 0.009 0.000 1.075 328 K CA -1.646 54.655 56.287 0.024 0.000 0.936 328 K CB 0.994 33.515 32.500 0.036 0.000 1.228 328 K HN 0.184 nan 8.250 nan 0.000 0.454 329 P HA -0.086 nan 4.420 nan 0.000 0.260 329 P C 0.877 178.163 177.300 -0.023 0.000 1.172 329 P CA 1.090 64.181 63.100 -0.015 0.000 0.760 329 P CB 0.398 32.087 31.700 -0.019 0.000 0.773 330 G N 3.458 112.236 108.800 -0.036 0.000 2.199 330 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.254 330 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.254 330 G C 1.259 176.129 174.900 -0.049 0.000 0.982 330 G CA 0.458 45.528 45.100 -0.050 0.000 0.632 330 G HN 0.616 nan 8.290 nan 0.000 0.529 331 R N 0.013 120.494 120.500 -0.031 0.000 2.092 331 R HA 0.286 4.626 4.340 -0.000 0.000 0.231 331 R C 1.079 177.359 176.300 -0.034 0.000 1.119 331 R CA 1.714 57.800 56.100 -0.024 0.000 0.970 331 R CB -0.250 30.050 30.300 0.000 0.000 0.864 331 R HN 0.796 nan 8.270 nan 0.000 0.440 332 L N 0.677 121.869 121.223 -0.051 0.000 2.341 332 L HA 0.497 4.836 4.340 -0.000 0.000 0.278 332 L C -1.303 175.490 176.870 -0.128 0.000 1.005 332 L CA -0.206 54.588 54.840 -0.076 0.000 0.818 332 L CB 2.292 44.305 42.059 -0.077 0.000 1.259 332 L HN 0.098 nan 8.230 nan 0.000 0.418 333 T N 5.984 120.466 114.554 -0.120 0.000 2.797 333 T HA 0.571 4.921 4.350 -0.000 0.000 0.279 333 T C -0.429 174.172 174.700 -0.165 0.000 0.991 333 T CA -0.336 61.671 62.100 -0.155 0.000 0.979 333 T CB 1.001 69.804 68.868 -0.108 0.000 0.943 333 T HN 0.428 nan 8.240 nan 0.000 0.444 334 L N 3.408 124.493 121.223 -0.230 0.000 2.280 334 L HA 0.517 4.857 4.340 -0.000 0.000 0.287 334 L C -0.526 176.336 176.870 -0.012 0.000 1.023 334 L CA -1.021 53.727 54.840 -0.154 0.000 0.819 334 L CB 1.400 43.300 42.059 -0.265 0.000 1.212 334 L HN 0.368 nan 8.230 nan 0.000 0.420 335 V N 2.204 122.099 119.914 -0.031 0.000 2.318 335 V HA 0.158 4.278 4.120 -0.000 0.000 0.271 335 V C 0.559 176.644 176.094 -0.015 0.000 1.030 335 V CA -0.312 61.960 62.300 -0.047 0.000 0.844 335 V CB 1.188 32.928 31.823 -0.139 0.000 1.015 335 V HN 0.783 nan 8.190 nan 0.000 0.460 336 S N 5.553 121.281 115.700 0.047 0.000 2.505 336 S HA 0.534 5.004 4.470 -0.000 0.000 0.276 336 S C 0.144 174.733 174.600 -0.018 0.000 1.274 336 S CA -0.692 57.549 58.200 0.069 0.000 1.053 336 S CB -0.011 63.301 63.200 0.187 0.000 0.919 336 S HN 0.836 nan 8.310 nan 0.000 0.490 337 R N 4.536 125.032 120.500 -0.007 0.000 2.721 337 R HA 0.398 4.738 4.340 -0.000 0.000 0.272 337 R C -0.025 176.282 176.300 0.011 0.000 1.721 337 R CA -0.394 55.702 56.100 -0.007 0.000 1.325 337 R CB 0.031 30.327 30.300 -0.008 0.000 1.271 337 R HN 0.438 nan 8.270 nan 0.000 0.556 338 M N 0.546 120.152 119.600 0.010 0.000 2.516 338 M HA 0.355 4.835 4.480 -0.000 0.000 0.259 338 M C 0.484 176.758 176.300 -0.042 0.000 1.146 338 M CA 0.692 55.984 55.300 -0.014 0.000 1.122 338 M CB -0.149 32.438 32.600 -0.022 0.000 1.341 338 M HN 0.863 nan 8.290 nan 0.000 0.478 339 G N 2.472 111.274 108.800 0.004 0.000 2.788 339 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.686 339 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.686 339 G C 0.351 175.283 174.900 0.054 0.000 1.147 339 G CA -0.079 45.051 45.100 0.050 0.000 0.755 339 G HN 0.406 nan 8.290 nan 0.000 0.634 340 N N 0.952 119.761 118.700 0.183 0.000 2.223 340 N HA -0.205 4.535 4.740 -0.000 0.000 0.185 340 N C 1.648 177.250 175.510 0.153 0.000 1.016 340 N CA 2.221 55.357 53.050 0.144 0.000 0.863 340 N CB -0.460 38.100 38.487 0.122 0.000 0.983 340 N HN 1.011 nan 8.380 nan 0.000 0.429 341 H N -0.302 118.778 119.070 0.016 0.000 2.547 341 H HA 0.232 4.788 4.556 -0.000 0.000 0.272 341 H C 0.720 176.055 175.328 0.012 0.000 0.989 341 H CA 0.432 56.487 56.048 0.011 0.000 1.214 341 H CB -0.064 29.701 29.762 0.005 0.000 1.389 341 H HN 0.317 nan 8.280 nan 0.000 0.577 342 K N 0.195 120.400 120.400 -0.324 0.000 2.391 342 K HA 0.123 4.442 4.320 -0.000 0.000 0.197 342 K C 1.942 178.477 176.600 -0.108 0.000 1.087 342 K CA 0.481 56.618 56.287 -0.250 0.000 1.012 342 K CB 0.872 33.166 32.500 -0.343 0.000 0.925 342 K HN 0.029 nan 8.250 nan 0.000 0.547 343 V N 1.819 121.698 119.914 -0.058 0.000 2.407 343 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 343 V C 1.981 178.061 176.094 -0.023 0.000 1.055 343 V CA 1.778 64.072 62.300 -0.011 0.000 1.049 343 V CB -0.187 31.668 31.823 0.053 0.000 0.662 343 V HN 0.217 nan 8.190 nan 0.000 0.455 344 R N -0.370 120.118 120.500 -0.020 0.000 2.115 344 R HA -0.113 4.227 4.340 -0.000 0.000 0.230 344 R C 1.946 178.214 176.300 -0.054 0.000 1.111 344 R CA 1.861 57.940 56.100 -0.034 0.000 0.976 344 R CB -0.197 30.095 30.300 -0.013 0.000 0.870 344 R HN 0.588 nan 8.270 nan 0.000 0.445 345 D N -0.177 120.194 120.400 -0.048 0.000 2.201 345 D HA -0.025 4.615 4.640 -0.000 0.000 0.209 345 D C 1.854 178.121 176.300 -0.056 0.000 0.961 345 D CA 0.821 54.792 54.000 -0.049 0.000 0.861 345 D CB 0.136 40.912 40.800 -0.039 0.000 0.997 345 D HN 0.168 nan 8.370 nan 0.000 0.486 346 L N 0.212 121.402 121.223 -0.056 0.000 2.209 346 L HA -0.005 4.335 4.340 -0.000 0.000 0.207 346 L C 2.222 179.060 176.870 -0.053 0.000 1.094 346 L CA 0.224 55.037 54.840 -0.046 0.000 0.790 346 L CB -0.021 42.014 42.059 -0.039 0.000 0.932 346 L HN 0.023 nan 8.230 nan 0.000 0.447 347 L N 0.686 121.864 121.223 -0.076 0.000 2.044 347 L HA 0.008 4.348 4.340 -0.000 0.000 0.205 347 L C -0.523 176.222 176.870 -0.208 0.000 1.075 347 L CA 1.736 56.502 54.840 -0.123 0.000 0.747 347 L CB -1.376 40.602 42.059 -0.134 0.000 0.903 347 L HN 0.014 nan 8.230 nan 0.000 0.435 348 P HA -0.144 nan 4.420 nan 0.000 0.216 348 P C -1.377 175.821 177.300 -0.169 0.000 1.157 348 P CA 2.137 65.098 63.100 -0.231 0.000 0.880 348 P CB -1.333 30.264 31.700 -0.172 0.000 0.791 349 P HA -0.113 nan 4.420 nan 0.000 0.218 349 P C 1.607 178.884 177.300 -0.039 0.000 1.148 349 P CA 1.216 64.280 63.100 -0.060 0.000 0.822 349 P CB -0.522 31.157 31.700 -0.036 0.000 0.784 350 I N -1.190 119.356 120.570 -0.041 0.000 2.179 350 I HA -0.197 3.972 4.170 -0.000 0.000 0.242 350 I C 2.234 178.372 176.117 0.034 0.000 1.088 350 I CA 1.313 62.634 61.300 0.034 0.000 1.357 350 I CB -0.821 37.226 38.000 0.077 0.000 1.051 350 I HN -0.187 nan 8.210 nan 0.000 0.409 351 V N 0.736 120.510 119.914 -0.233 0.000 2.295 351 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 351 V C 2.374 178.420 176.094 -0.081 0.000 1.049 351 V CA 1.902 63.947 62.300 -0.425 0.000 1.024 351 V CB -0.727 30.576 31.823 -0.867 0.000 0.648 351 V HN 0.430 nan 8.190 nan 0.000 0.447 352 E N -0.042 120.105 120.200 -0.089 0.000 2.058 352 E HA -0.298 4.052 4.350 -0.000 0.000 0.194 352 E C 2.263 178.888 176.600 0.041 0.000 0.997 352 E CA 1.524 57.911 56.400 -0.022 0.000 0.801 352 E CB -0.159 29.517 29.700 -0.041 0.000 0.746 352 E HN 0.379 nan 8.360 nan 0.000 0.450 353 K N 0.565 120.996 120.400 0.052 0.000 2.097 353 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 353 K C 1.898 178.565 176.600 0.112 0.000 1.050 353 K CA 0.734 57.063 56.287 0.070 0.000 0.938 353 K CB -0.127 32.408 32.500 0.059 0.000 0.718 353 K HN -0.057 nan 8.250 nan 0.000 0.442 354 V N 0.857 120.884 119.914 0.188 0.000 2.379 354 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 354 V C 2.257 178.494 176.094 0.238 0.000 1.044 354 V CA 1.402 63.843 62.300 0.235 0.000 1.036 354 V CB -0.407 31.655 31.823 0.399 0.000 0.664 354 V HN 0.357 nan 8.190 nan 0.000 0.453 355 Q N 0.243 120.200 119.800 0.262 0.000 2.135 355 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 355 Q C 2.381 178.465 176.000 0.141 0.000 0.981 355 Q CA 1.933 57.862 55.803 0.211 0.000 0.856 355 Q CB -0.679 28.163 28.738 0.173 0.000 0.902 355 Q HN 0.646 nan 8.270 nan 0.000 0.425 356 A N 0.933 123.819 122.820 0.110 0.000 2.121 356 A HA -0.113 4.206 4.320 -0.000 0.000 0.218 356 A C 2.173 179.811 177.584 0.091 0.000 1.154 356 A CA 1.733 53.819 52.037 0.082 0.000 0.679 356 A CB -0.648 18.387 19.000 0.059 0.000 0.795 356 A HN 0.532 nan 8.150 nan 0.000 0.458 357 T N -4.239 110.388 114.554 0.123 0.000 3.035 357 T HA 0.302 4.652 4.350 -0.000 0.000 0.268 357 T C 1.601 176.423 174.700 0.203 0.000 1.109 357 T CA 1.221 63.419 62.100 0.163 0.000 1.119 357 T CB -0.266 68.709 68.868 0.178 0.000 0.900 357 T HN 1.620 nan 8.240 nan 0.000 0.503 358 G N 0.905 109.793 108.800 0.146 0.000 2.176 358 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.253 358 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.253 358 G C 0.048 174.961 174.900 0.020 0.000 0.979 358 G CA 0.190 45.331 45.100 0.067 0.000 0.641 358 G HN 0.744 nan 8.290 nan 0.000 0.530 359 H N 0.516 119.601 119.070 0.026 0.000 2.551 359 H HA 0.404 4.960 4.556 -0.000 0.000 0.358 359 H C 0.149 175.481 175.328 0.007 0.000 1.151 359 H CA 0.141 56.194 56.048 0.007 0.000 1.374 359 H CB 0.730 30.486 29.762 -0.009 0.000 1.473 359 H HN 0.319 nan 8.280 nan 0.000 0.574 360 Q N 2.496 122.347 119.800 0.085 0.000 2.560 360 Q HA 0.249 4.589 4.340 -0.000 0.000 0.238 360 Q C -0.111 175.869 176.000 -0.032 0.000 1.079 360 Q CA -0.580 55.243 55.803 0.035 0.000 0.866 360 Q CB 1.476 30.224 28.738 0.016 0.000 1.153 360 Q HN 0.406 nan 8.270 nan 0.000 0.530 361 V N -0.402 119.432 119.914 -0.134 0.000 3.036 361 V HA 0.524 4.644 4.120 -0.000 0.000 0.308 361 V C 0.192 176.081 176.094 -0.341 0.000 1.070 361 V CA -0.817 61.303 62.300 -0.301 0.000 1.056 361 V CB 1.014 32.505 31.823 -0.554 0.000 1.084 361 V HN 0.500 nan 8.190 nan 0.000 0.471 362 I N 1.715 122.103 120.570 -0.305 0.000 2.342 362 I HA 0.294 4.463 4.170 -0.000 0.000 0.291 362 I C -0.695 175.238 176.117 -0.307 0.000 1.010 362 I CA 0.024 61.201 61.300 -0.206 0.000 1.308 362 I CB 0.991 38.916 38.000 -0.125 0.000 1.400 362 I HN 0.696 nan 8.210 nan 0.000 0.488 363 W N 6.296 127.606 121.300 0.017 0.000 2.331 363 W HA 0.442 5.102 4.660 -0.000 0.000 0.306 363 W C 0.158 176.728 176.519 0.085 0.000 1.162 363 W CA -0.337 57.065 57.345 0.095 0.000 1.232 363 W CB 0.637 30.178 29.460 0.136 0.000 1.235 363 W HN 0.401 nan 8.180 nan 0.000 0.479 364 Q N 3.328 123.252 119.800 0.206 0.000 2.353 364 Q HA 0.443 4.783 4.340 -0.000 0.000 0.268 364 Q C -1.005 174.806 176.000 -0.315 0.000 1.045 364 Q CA -0.758 54.987 55.803 -0.097 0.000 0.811 364 Q CB 2.183 30.838 28.738 -0.139 0.000 1.305 364 Q HN 0.643 nan 8.270 nan 0.000 0.447 365 C N 3.359 122.205 119.300 -0.758 0.000 2.347 365 C HA 0.361 4.821 4.460 -0.000 0.000 0.353 365 C C -0.407 174.375 174.990 -0.347 0.000 1.273 365 C CA -0.270 58.252 59.018 -0.826 0.000 1.861 365 C CB 0.306 27.277 27.740 -1.281 0.000 2.420 365 C HN 0.816 nan 8.230 nan 0.000 0.542 366 D N 7.108 127.371 120.400 -0.228 0.000 2.485 366 D HA 0.325 4.964 4.640 -0.000 0.000 0.229 366 D C -1.537 174.705 176.300 -0.097 0.000 1.101 366 D CA -2.031 51.883 54.000 -0.143 0.000 0.906 366 D CB 1.198 41.900 40.800 -0.163 0.000 1.019 366 D HN 0.460 nan 8.370 nan 0.000 0.516 367 P HA 0.018 nan 4.420 nan 0.000 0.253 367 P C 0.991 178.259 177.300 -0.053 0.000 1.260 367 P CA 0.180 63.245 63.100 -0.057 0.000 0.800 367 P CB 0.324 31.992 31.700 -0.054 0.000 1.162 368 M N -1.060 118.483 119.600 -0.094 0.000 2.556 368 M HA 0.066 4.546 4.480 -0.000 0.000 0.259 368 M C 1.855 178.046 176.300 -0.182 0.000 1.175 368 M CA 1.468 56.660 55.300 -0.180 0.000 1.202 368 M CB -1.545 30.843 32.600 -0.353 0.000 1.298 368 M HN 0.082 nan 8.290 nan 0.000 0.492 369 H N 0.021 119.066 119.070 -0.042 0.000 2.529 369 H HA 0.113 4.668 4.556 -0.000 0.000 0.277 369 H C 1.971 177.304 175.328 0.008 0.000 0.999 369 H CA 1.150 57.185 56.048 -0.023 0.000 1.256 369 H CB -0.223 29.502 29.762 -0.062 0.000 1.402 369 H HN 0.494 nan 8.280 nan 0.000 0.566 370 G N -0.530 108.331 108.800 0.102 0.000 3.042 370 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.212 370 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.212 370 G C 0.593 175.565 174.900 0.120 0.000 1.166 370 G CA -0.075 45.083 45.100 0.096 0.000 0.767 370 G HN 0.267 nan 8.290 nan 0.000 0.546 371 N N 0.807 119.568 118.700 0.101 0.000 2.497 371 N HA 0.110 4.850 4.740 -0.000 0.000 0.284 371 N C -0.581 175.017 175.510 0.148 0.000 1.459 371 N CA -0.010 53.114 53.050 0.123 0.000 0.899 371 N CB 1.211 39.758 38.487 0.100 0.000 1.316 371 N HN -0.037 nan 8.380 nan 0.000 0.500 372 T N 1.144 115.782 114.554 0.139 0.000 2.867 372 T HA 0.333 4.682 4.350 -0.000 0.000 0.282 372 T C -0.112 174.711 174.700 0.204 0.000 1.000 372 T CA -0.382 61.803 62.100 0.142 0.000 1.042 372 T CB 1.523 70.442 68.868 0.087 0.000 0.973 372 T HN 0.299 nan 8.240 nan 0.000 0.465 373 H N 0.435 119.553 119.070 0.080 0.000 3.012 373 H HA 0.456 5.012 4.556 -0.000 0.000 0.367 373 H C -1.290 174.086 175.328 0.081 0.000 1.211 373 H CA -0.889 55.202 56.048 0.072 0.000 1.139 373 H CB 1.521 31.322 29.762 0.065 0.000 1.838 373 H HN 0.604 nan 8.280 nan 0.000 0.550 374 E N 2.267 122.496 120.200 0.049 0.000 2.194 374 E HA 0.228 4.578 4.350 -0.000 0.000 0.284 374 E C -0.070 176.557 176.600 0.044 0.000 1.035 374 E CA -0.459 55.938 56.400 -0.004 0.000 0.836 374 E CB 0.855 30.569 29.700 0.022 0.000 1.070 374 E HN 0.686 nan 8.360 nan 0.000 0.401 375 S N 2.578 118.277 115.700 -0.002 0.000 2.600 375 S HA 0.004 4.474 4.470 -0.000 0.000 0.265 375 S C 1.270 175.914 174.600 0.073 0.000 1.325 375 S CA 0.003 58.254 58.200 0.084 0.000 1.002 375 S CB 1.485 64.742 63.200 0.095 0.000 0.921 375 S HN 0.603 nan 8.310 nan 0.000 0.554 376 S N 0.205 115.957 115.700 0.086 0.000 2.423 376 S HA -0.124 4.346 4.470 -0.000 0.000 0.231 376 S C 1.685 176.304 174.600 0.032 0.000 1.014 376 S CA 1.091 59.322 58.200 0.053 0.000 0.965 376 S CB -1.633 61.600 63.200 0.057 0.000 0.785 376 S HN 1.025 nan 8.310 nan 0.000 0.495 377 T N -2.007 112.588 114.554 0.069 0.000 3.160 377 T HA 0.426 4.776 4.350 -0.000 0.000 0.257 377 T C 1.492 176.126 174.700 -0.111 0.000 1.147 377 T CA 0.503 62.646 62.100 0.071 0.000 1.064 377 T CB -0.500 68.510 68.868 0.237 0.000 0.949 377 T HN 1.239 nan 8.240 nan 0.000 0.526 378 G N 0.700 109.410 108.800 -0.149 0.000 2.140 378 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.211 378 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.211 378 G C -0.287 174.282 174.900 -0.552 0.000 1.013 378 G CA -0.526 44.377 45.100 -0.329 0.000 0.705 378 G HN 0.524 nan 8.290 nan 0.000 0.508 379 F N 1.056 120.887 119.950 -0.198 0.000 2.482 379 F HA 0.522 5.049 4.527 -0.000 0.000 0.331 379 F C 0.820 176.497 175.800 -0.206 0.000 1.115 379 F CA -1.091 56.702 58.000 -0.346 0.000 0.955 379 F CB 1.528 40.198 39.000 -0.549 0.000 1.136 379 F HN 0.177 nan 8.300 nan 0.000 0.452 380 K N 0.996 121.426 120.400 0.051 0.000 2.368 380 K HA 0.526 4.846 4.320 -0.000 0.000 0.282 380 K C -0.409 176.264 176.600 0.122 0.000 1.035 380 K CA -0.212 56.116 56.287 0.068 0.000 0.973 380 K CB 1.401 33.967 32.500 0.112 0.000 0.957 380 K HN 0.662 nan 8.250 nan 0.000 0.474 381 T N 1.768 116.280 114.554 -0.071 0.000 2.792 381 T HA 0.475 4.825 4.350 -0.000 0.000 0.303 381 T C -1.573 173.046 174.700 -0.135 0.000 1.310 381 T CA -0.993 61.059 62.100 -0.080 0.000 1.007 381 T CB 1.404 70.198 68.868 -0.124 0.000 1.335 381 T HN 0.740 nan 8.240 nan 0.000 0.504 382 R N 1.011 121.525 120.500 0.023 0.000 2.686 382 R HA 0.463 4.803 4.340 -0.000 0.000 0.283 382 R C -1.279 175.154 176.300 0.221 0.000 0.978 382 R CA -0.839 55.354 56.100 0.154 0.000 0.897 382 R CB 1.514 31.867 30.300 0.088 0.000 1.192 382 R HN 0.671 nan 8.270 nan 0.000 0.457 383 H N 1.317 120.537 119.070 0.250 0.000 2.527 383 H HA 0.089 4.645 4.556 -0.000 0.000 0.321 383 H C 0.475 175.916 175.328 0.188 0.000 1.087 383 H CA -0.234 55.944 56.048 0.216 0.000 1.337 383 H CB 0.736 30.597 29.762 0.166 0.000 1.440 383 H HN 0.619 nan 8.280 nan 0.000 0.490 384 F N 2.956 123.022 119.950 0.193 0.000 2.126 384 F HA -0.253 4.274 4.527 -0.000 0.000 0.299 384 F C 1.535 177.466 175.800 0.219 0.000 1.096 384 F CA 1.840 59.945 58.000 0.174 0.000 1.255 384 F CB 0.110 39.180 39.000 0.118 0.000 0.997 384 F HN 0.657 nan 8.300 nan 0.000 0.479 385 D N -0.169 120.503 120.400 0.453 0.000 2.178 385 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 385 D C 2.348 178.675 176.300 0.046 0.000 0.980 385 D CA 1.083 55.195 54.000 0.187 0.000 0.842 385 D CB -0.230 40.644 40.800 0.123 0.000 0.948 385 D HN 0.342 nan 8.370 nan 0.000 0.472 386 R N -0.286 120.257 120.500 0.072 0.000 2.093 386 R HA 0.135 4.475 4.340 -0.000 0.000 0.224 386 R C 2.387 178.697 176.300 0.017 0.000 1.101 386 R CA 0.348 56.475 56.100 0.044 0.000 0.979 386 R CB -0.032 30.311 30.300 0.071 0.000 0.877 386 R HN 0.189 nan 8.270 nan 0.000 0.441 387 I N 0.064 120.620 120.570 -0.023 0.000 2.226 387 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 387 I C 2.061 178.101 176.117 -0.129 0.000 1.100 387 I CA 1.134 62.383 61.300 -0.084 0.000 1.374 387 I CB -0.125 37.793 38.000 -0.136 0.000 1.057 387 I HN -0.030 nan 8.210 nan 0.000 0.413 388 V N 0.518 120.294 119.914 -0.229 0.000 2.427 388 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 388 V C 2.088 178.159 176.094 -0.038 0.000 1.051 388 V CA 2.205 64.393 62.300 -0.185 0.000 1.048 388 V CB -0.572 31.094 31.823 -0.262 0.000 0.666 388 V HN 0.450 nan 8.190 nan 0.000 0.456 389 D N -0.158 120.235 120.400 -0.011 0.000 2.183 389 D HA -0.199 4.441 4.640 -0.000 0.000 0.203 389 D C 2.165 178.507 176.300 0.070 0.000 0.969 389 D CA 1.320 55.342 54.000 0.036 0.000 0.842 389 D CB 0.050 40.872 40.800 0.036 0.000 0.957 389 D HN 0.556 nan 8.370 nan 0.000 0.484 390 E N -0.592 119.646 120.200 0.063 0.000 2.072 390 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 390 E C 2.013 178.701 176.600 0.148 0.000 0.985 390 E CA 0.979 57.432 56.400 0.089 0.000 0.801 390 E CB 0.123 29.857 29.700 0.057 0.000 0.750 390 E HN 0.128 nan 8.360 nan 0.000 0.452 391 V N 1.130 121.124 119.914 0.133 0.000 2.343 391 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 391 V C 2.573 178.927 176.094 0.433 0.000 1.051 391 V CA 2.237 64.692 62.300 0.258 0.000 1.036 391 V CB -0.753 31.185 31.823 0.193 0.000 0.654 391 V HN 0.377 nan 8.190 nan 0.000 0.451 392 Q N 0.613 120.562 119.800 0.248 0.000 2.020 392 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 392 Q C 2.269 178.415 176.000 0.244 0.000 0.982 392 Q CA 2.291 58.222 55.803 0.213 0.000 0.838 392 Q CB -0.676 28.122 28.738 0.100 0.000 0.899 392 Q HN 0.588 nan 8.270 nan 0.000 0.423 393 G N -0.083 108.833 108.800 0.192 0.000 2.422 393 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.218 393 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.218 393 G C 1.196 176.198 174.900 0.170 0.000 1.146 393 G CA 0.697 45.884 45.100 0.145 0.000 0.769 393 G HN 0.489 nan 8.290 nan 0.000 0.547 394 F N 0.811 120.820 119.950 0.097 0.000 2.095 394 F HA -0.014 4.513 4.527 -0.000 0.000 0.298 394 F C 2.268 178.139 175.800 0.118 0.000 1.104 394 F CA 1.371 59.418 58.000 0.079 0.000 1.232 394 F CB -0.285 38.775 39.000 0.101 0.000 0.987 394 F HN 0.119 nan 8.300 nan 0.000 0.475 395 F N 1.133 121.163 119.950 0.133 0.000 2.134 395 F HA -0.160 4.367 4.527 -0.000 0.000 0.299 395 F C 2.402 178.179 175.800 -0.038 0.000 1.097 395 F CA 1.964 59.977 58.000 0.023 0.000 1.264 395 F CB -0.757 38.301 39.000 0.097 0.000 1.001 395 F HN 0.045 nan 8.300 nan 0.000 0.479 396 E N -0.290 119.997 120.200 0.145 0.000 2.077 396 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 396 E C 2.343 178.902 176.600 -0.068 0.000 0.989 396 E CA 1.485 57.911 56.400 0.043 0.000 0.800 396 E CB -0.419 29.305 29.700 0.040 0.000 0.746 396 E HN 0.162 nan 8.360 nan 0.000 0.452 397 V N 1.362 121.177 119.914 -0.165 0.000 2.332 397 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 397 V C 2.137 177.973 176.094 -0.429 0.000 1.055 397 V CA 1.860 63.967 62.300 -0.322 0.000 1.038 397 V CB -0.568 30.984 31.823 -0.451 0.000 0.651 397 V HN 0.372 nan 8.190 nan 0.000 0.450 398 H N -0.293 118.556 119.070 -0.368 0.000 2.395 398 H HA 0.008 4.564 4.556 -0.000 0.000 0.299 398 H C 2.577 177.789 175.328 -0.192 0.000 1.070 398 H CA 1.097 56.922 56.048 -0.372 0.000 1.356 398 H CB -0.011 29.412 29.762 -0.566 0.000 1.401 398 H HN 0.276 nan 8.280 nan 0.000 0.524 399 R N 1.032 121.526 120.500 -0.011 0.000 2.083 399 R HA -0.048 4.292 4.340 -0.000 0.000 0.237 399 R C 2.409 178.699 176.300 -0.017 0.000 1.137 399 R CA 1.130 57.239 56.100 0.015 0.000 0.951 399 R CB -1.147 29.178 30.300 0.042 0.000 0.851 399 R HN 0.312 nan 8.270 nan 0.000 0.434 400 A N 0.642 123.431 122.820 -0.051 0.000 1.933 400 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 400 A C 2.254 179.799 177.584 -0.066 0.000 1.175 400 A CA 1.094 53.097 52.037 -0.057 0.000 0.628 400 A CB -0.395 18.561 19.000 -0.073 0.000 0.814 400 A HN 0.226 nan 8.150 nan 0.000 0.444 401 L N -1.611 119.553 121.223 -0.098 0.000 2.509 401 L HA 0.195 4.534 4.340 -0.000 0.000 0.222 401 L C 1.668 178.513 176.870 -0.041 0.000 1.123 401 L CA 0.538 55.323 54.840 -0.091 0.000 0.856 401 L CB -0.074 41.887 42.059 -0.164 0.000 0.985 401 L HN 0.578 nan 8.230 nan 0.000 0.456 402 G N 0.791 109.580 108.800 -0.019 0.000 2.143 402 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.248 402 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.248 402 G C 0.372 175.298 174.900 0.044 0.000 0.991 402 G CA 0.476 45.585 45.100 0.016 0.000 0.689 402 G HN 0.392 nan 8.290 nan 0.000 0.522 403 T N -2.827 111.759 114.554 0.053 0.000 2.897 403 T HA 0.582 4.932 4.350 -0.000 0.000 0.278 403 T C -0.053 174.712 174.700 0.108 0.000 0.981 403 T CA -0.279 61.891 62.100 0.118 0.000 0.973 403 T CB 2.015 70.963 68.868 0.133 0.000 1.092 403 T HN 0.542 nan 8.240 nan 0.000 0.543 404 H N 2.037 121.099 119.070 -0.013 0.000 2.652 404 H HA 0.411 4.967 4.556 -0.000 0.000 0.298 404 H C -2.503 172.577 175.328 -0.414 0.000 1.076 404 H CA -2.273 53.714 56.048 -0.103 0.000 1.360 404 H CB 0.689 30.460 29.762 0.014 0.000 1.421 404 H HN 0.300 nan 8.280 nan 0.000 0.464 405 P HA 0.137 nan 4.420 nan 0.000 0.274 405 P C 0.750 177.637 177.300 -0.689 0.000 1.291 405 P CA 0.015 62.487 63.100 -1.046 0.000 0.815 405 P CB 0.984 31.947 31.700 -1.228 0.000 0.897 406 G N 2.393 110.944 108.800 -0.415 0.000 2.603 406 G HA2 0.385 4.345 3.960 -0.000 0.000 0.214 406 G HA3 0.385 4.345 3.960 -0.000 0.000 0.214 406 G C 0.579 175.074 174.900 -0.674 0.000 1.140 406 G CA 0.459 45.340 45.100 -0.366 0.000 0.800 406 G HN 0.756 nan 8.290 nan 0.000 0.533 407 G N -0.655 107.720 108.800 -0.707 0.000 2.321 407 G HA2 0.458 4.418 3.960 -0.000 0.000 0.296 407 G HA3 0.458 4.418 3.960 -0.000 0.000 0.296 407 G C -1.679 172.929 174.900 -0.486 0.000 1.287 407 G CA -0.361 44.062 45.100 -1.127 0.000 0.846 407 G HN 0.757 nan 8.290 nan 0.000 0.508 408 I N -2.789 117.579 120.570 -0.335 0.000 2.769 408 I HA 0.765 4.934 4.170 -0.000 0.000 0.298 408 I C -1.466 174.579 176.117 -0.120 0.000 1.128 408 I CA -1.110 60.102 61.300 -0.147 0.000 1.031 408 I CB 2.748 40.770 38.000 0.037 0.000 1.235 408 I HN 0.574 nan 8.210 nan 0.000 0.423 409 H N 4.905 123.854 119.070 -0.202 0.000 2.708 409 H HA 0.734 5.290 4.556 -0.000 0.000 0.320 409 H C -1.832 173.404 175.328 -0.153 0.000 0.991 409 H CA -0.560 55.362 56.048 -0.210 0.000 1.243 409 H CB 1.769 31.349 29.762 -0.303 0.000 1.446 409 H HN 0.573 nan 8.280 nan 0.000 0.502 410 V N 4.735 124.745 119.914 0.159 0.000 2.962 410 V HA 0.310 4.430 4.120 -0.000 0.000 0.313 410 V C -0.430 175.705 176.094 0.069 0.000 1.099 410 V CA -0.831 61.504 62.300 0.058 0.000 0.971 410 V CB 2.494 34.327 31.823 0.016 0.000 1.028 410 V HN 0.722 nan 8.190 nan 0.000 0.430 411 E N 4.415 124.621 120.200 0.011 0.000 2.165 411 E HA 0.687 5.037 4.350 -0.000 0.000 0.266 411 E C -0.995 175.600 176.600 -0.009 0.000 0.889 411 E CA -0.318 56.089 56.400 0.012 0.000 0.756 411 E CB 2.234 31.923 29.700 -0.018 0.000 1.131 411 E HN 0.649 nan 8.360 nan 0.000 0.411 412 I N -1.135 119.431 120.570 -0.006 0.000 3.191 412 I HA 0.732 4.902 4.170 -0.000 0.000 0.313 412 I C -0.821 175.274 176.117 -0.036 0.000 1.193 412 I CA -0.743 60.543 61.300 -0.025 0.000 0.968 412 I CB 2.706 40.687 38.000 -0.032 0.000 1.262 412 I HN 0.326 nan 8.210 nan 0.000 0.456 413 T N 0.719 115.241 114.554 -0.053 0.000 2.923 413 T HA 0.511 4.861 4.350 -0.000 0.000 0.311 413 T C 0.514 175.153 174.700 -0.101 0.000 1.183 413 T CA 0.020 62.076 62.100 -0.073 0.000 1.020 413 T CB 1.629 70.489 68.868 -0.013 0.000 1.165 413 T HN 1.022 nan 8.240 nan 0.000 0.482 414 G N 1.786 110.494 108.800 -0.153 0.000 2.776 414 G HA2 0.162 4.121 3.960 -0.000 0.000 0.209 414 G HA3 0.162 4.121 3.960 -0.000 0.000 0.209 414 G C 0.247 175.085 174.900 -0.104 0.000 1.145 414 G CA 0.225 45.236 45.100 -0.150 0.000 0.791 414 G HN 0.617 nan 8.290 nan 0.000 0.530 415 E N -0.294 119.869 120.200 -0.062 0.000 2.242 415 E HA 0.238 4.588 4.350 -0.000 0.000 0.275 415 E C -0.129 176.450 176.600 -0.035 0.000 1.002 415 E CA -0.704 55.677 56.400 -0.032 0.000 0.841 415 E CB 0.942 30.646 29.700 0.007 0.000 1.109 415 E HN 0.036 nan 8.360 nan 0.000 0.394 416 N N 2.399 121.083 118.700 -0.027 0.000 3.103 416 N HA 0.014 4.754 4.740 -0.000 0.000 0.305 416 N C -0.824 174.668 175.510 -0.029 0.000 1.232 416 N CA -0.216 52.821 53.050 -0.022 0.000 1.190 416 N CB -0.468 38.012 38.487 -0.011 0.000 1.461 416 N HN 0.314 nan 8.380 nan 0.000 0.538 417 V N -0.179 119.710 119.914 -0.042 0.000 3.264 417 V HA 0.547 4.667 4.120 -0.000 0.000 0.304 417 V C 0.652 176.711 176.094 -0.059 0.000 1.086 417 V CA -0.471 61.793 62.300 -0.060 0.000 1.090 417 V CB 1.022 32.787 31.823 -0.095 0.000 1.112 417 V HN 0.493 nan 8.190 nan 0.000 0.472 418 T N -1.102 113.411 114.554 -0.067 0.000 3.331 418 T HA 0.582 4.932 4.350 -0.000 0.000 0.381 418 T C 0.009 174.682 174.700 -0.046 0.000 1.656 418 T CA -0.283 61.782 62.100 -0.058 0.000 1.453 418 T CB 0.461 69.292 68.868 -0.061 0.000 1.066 418 T HN 0.853 nan 8.240 nan 0.000 0.655 419 E N 0.368 120.535 120.200 -0.056 0.000 2.406 419 E HA 0.228 4.578 4.350 -0.000 0.000 0.204 419 E C 0.016 176.635 176.600 0.031 0.000 0.820 419 E CA -0.145 56.230 56.400 -0.042 0.000 1.136 419 E CB 0.737 30.279 29.700 -0.264 0.000 1.129 419 E HN 0.564 nan 8.360 nan 0.000 0.530 420 C N 2.467 121.766 119.300 -0.002 0.000 2.350 420 C HA 0.413 4.872 4.460 -0.000 0.000 0.348 420 C C 0.390 175.370 174.990 -0.018 0.000 1.260 420 C CA -0.910 58.118 59.018 0.017 0.000 1.966 420 C CB -0.115 27.654 27.740 0.049 0.000 2.380 420 C HN 0.317 nan 8.230 nan 0.000 0.535 421 L N 3.982 125.169 121.223 -0.059 0.000 2.426 421 L HA 0.523 4.863 4.340 -0.000 0.000 0.271 421 L C 1.109 177.796 176.870 -0.306 0.000 1.169 421 L CA 1.239 55.966 54.840 -0.189 0.000 0.836 421 L CB -0.126 41.778 42.059 -0.259 0.000 1.112 421 L HN 1.120 nan 8.230 nan 0.000 0.465 422 G N 1.734 110.392 108.800 -0.236 0.000 2.482 422 G HA2 0.289 4.249 3.960 -0.000 0.000 0.214 422 G HA3 0.289 4.249 3.960 -0.000 0.000 0.214 422 G C 0.056 174.834 174.900 -0.204 0.000 1.271 422 G CA -0.414 44.583 45.100 -0.172 0.000 0.944 422 G HN 1.484 nan 8.290 nan 0.000 0.568 423 G N -1.900 106.649 108.800 -0.418 0.000 2.681 423 G HA2 0.349 4.309 3.960 -0.000 0.000 0.220 423 G HA3 0.349 4.309 3.960 -0.000 0.000 0.220 423 G C 1.375 176.077 174.900 -0.330 0.000 1.353 423 G CA 1.838 46.503 45.100 -0.725 0.000 0.872 423 G HN 2.470 nan 8.290 nan 0.000 0.557 424 A N -1.169 121.522 122.820 -0.214 0.000 1.902 424 A HA 0.013 4.333 4.320 -0.000 0.000 0.217 424 A C 2.305 179.850 177.584 -0.064 0.000 1.181 424 A CA 2.452 54.443 52.037 -0.076 0.000 0.623 424 A CB -0.522 18.484 19.000 0.010 0.000 0.818 424 A HN 0.842 nan 8.150 nan 0.000 0.443 425 Q N -1.391 118.371 119.800 -0.064 0.000 2.364 425 Q HA -0.061 4.279 4.340 -0.000 0.000 0.207 425 Q C 0.003 175.973 176.000 -0.049 0.000 0.970 425 Q CA 0.640 56.415 55.803 -0.046 0.000 0.888 425 Q CB -0.117 28.598 28.738 -0.038 0.000 0.951 425 Q HN 0.679 nan 8.270 nan 0.000 0.469 426 D N -0.011 120.349 120.400 -0.068 0.000 2.737 426 D HA -0.184 4.455 4.640 -0.000 0.000 0.238 426 D C -1.095 175.180 176.300 -0.042 0.000 1.157 426 D CA 0.164 54.136 54.000 -0.047 0.000 0.694 426 D CB -1.001 39.787 40.800 -0.020 0.000 1.021 426 D HN 0.266 nan 8.370 nan 0.000 0.420 427 I N 1.018 121.551 120.570 -0.062 0.000 2.668 427 I HA 0.021 4.191 4.170 -0.000 0.000 0.285 427 I C 1.404 177.494 176.117 -0.044 0.000 1.168 427 I CA 0.251 61.520 61.300 -0.052 0.000 1.424 427 I CB 0.549 38.513 38.000 -0.059 0.000 1.377 427 I HN 0.319 nan 8.210 nan 0.000 0.560 428 S N 4.195 119.882 115.700 -0.022 0.000 2.758 428 S HA 0.330 4.800 4.470 -0.000 0.000 0.292 428 S C 0.759 175.362 174.600 0.005 0.000 1.131 428 S CA -0.814 57.388 58.200 0.002 0.000 0.997 428 S CB 1.595 64.803 63.200 0.014 0.000 1.111 428 S HN 0.638 nan 8.310 nan 0.000 0.552 429 E N 0.062 120.284 120.200 0.035 0.000 2.110 429 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 429 E C 1.830 178.452 176.600 0.036 0.000 0.988 429 E CA 1.479 57.908 56.400 0.050 0.000 0.804 429 E CB -0.333 29.416 29.700 0.082 0.000 0.745 429 E HN 0.752 nan 8.360 nan 0.000 0.458 430 T N 0.528 115.100 114.554 0.030 0.000 2.951 430 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 430 T C 1.119 175.815 174.700 -0.006 0.000 1.073 430 T CA 1.217 63.333 62.100 0.026 0.000 1.134 430 T CB -0.098 68.786 68.868 0.026 0.000 0.884 430 T HN 0.028 nan 8.240 nan 0.000 0.479 431 D N 0.888 121.273 120.400 -0.025 0.000 2.277 431 D HA 0.077 4.717 4.640 -0.000 0.000 0.208 431 D C 2.024 178.264 176.300 -0.100 0.000 0.962 431 D CA 0.363 54.336 54.000 -0.046 0.000 0.865 431 D CB -0.274 40.504 40.800 -0.036 0.000 0.939 431 D HN 0.408 nan 8.370 nan 0.000 0.510 432 L N 0.610 121.738 121.223 -0.158 0.000 2.187 432 L HA -0.144 4.196 4.340 -0.000 0.000 0.213 432 L C 2.295 178.818 176.870 -0.579 0.000 1.100 432 L CA 0.947 55.589 54.840 -0.331 0.000 0.765 432 L CB -0.363 41.442 42.059 -0.422 0.000 0.904 432 L HN 0.004 nan 8.230 nan 0.000 0.437 433 A N 0.095 122.662 122.820 -0.422 0.000 2.119 433 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 433 A C 2.343 179.876 177.584 -0.085 0.000 1.153 433 A CA 1.090 52.983 52.037 -0.240 0.000 0.692 433 A CB -0.863 18.168 19.000 0.051 0.000 0.799 433 A HN 0.423 nan 8.150 nan 0.000 0.458 434 G N 1.187 109.940 108.800 -0.079 0.000 2.628 434 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 434 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 434 G C 0.943 175.835 174.900 -0.014 0.000 1.240 434 G CA 1.063 46.144 45.100 -0.032 0.000 0.792 434 G HN 0.798 nan 8.290 nan 0.000 0.593 435 R N -2.112 118.374 120.500 -0.023 0.000 2.855 435 R HA 0.377 4.717 4.340 -0.000 0.000 0.261 435 R C -1.511 174.787 176.300 -0.004 0.000 1.826 435 R CA -0.782 55.318 56.100 -0.001 0.000 1.435 435 R CB -0.270 30.025 30.300 -0.008 0.000 1.383 435 R HN 0.184 nan 8.270 nan 0.000 0.583 436 Y N 2.706 122.929 120.300 -0.128 0.000 2.613 436 Y HA 0.159 4.709 4.550 -0.000 0.000 0.354 436 Y C 0.286 176.171 175.900 -0.024 0.000 1.063 436 Y CA 0.279 58.308 58.100 -0.117 0.000 1.384 436 Y CB 0.819 39.140 38.460 -0.232 0.000 1.199 436 Y HN 0.629 nan 8.280 nan 0.000 0.517 437 E N 1.819 121.910 120.200 -0.182 0.000 2.473 437 E HA -0.001 4.349 4.350 -0.000 0.000 0.204 437 E C 0.531 177.000 176.600 -0.218 0.000 0.994 437 E CA -0.023 56.296 56.400 -0.134 0.000 0.945 437 E CB 0.548 30.182 29.700 -0.110 0.000 0.990 437 E HN 0.502 nan 8.360 nan 0.000 0.493 438 T N -0.007 114.346 114.554 -0.335 0.000 2.940 438 T HA 0.101 4.451 4.350 -0.000 0.000 0.309 438 T C 1.081 175.658 174.700 -0.205 0.000 1.056 438 T CA 0.322 62.263 62.100 -0.264 0.000 1.137 438 T CB 1.129 69.820 68.868 -0.294 0.000 0.976 438 T HN 0.148 nan 8.240 nan 0.000 0.547 439 A N 3.277 125.966 122.820 -0.218 0.000 2.167 439 A HA 0.239 4.559 4.320 -0.000 0.000 0.214 439 A C 1.804 179.478 177.584 0.151 0.000 1.151 439 A CA 0.787 52.659 52.037 -0.274 0.000 0.735 439 A CB -0.520 18.346 19.000 -0.223 0.000 0.802 439 A HN 0.890 nan 8.150 nan 0.000 0.467 440 C N -1.960 117.417 119.300 0.128 0.000 3.492 440 C HA 0.366 4.825 4.460 -0.000 0.000 0.094 440 C C -0.810 174.270 174.990 0.151 0.000 2.650 440 C CA -0.119 59.016 59.018 0.195 0.000 1.006 440 C CB -0.463 27.376 27.740 0.165 0.000 1.973 440 C HN 0.442 nan 8.230 nan 0.000 0.555 441 D N 2.737 123.197 120.400 0.100 0.000 2.313 441 D HA 0.325 4.964 4.640 -0.000 0.000 0.247 441 D C -2.429 173.862 176.300 -0.015 0.000 1.094 441 D CA -0.763 53.280 54.000 0.071 0.000 0.925 441 D CB 0.648 41.476 40.800 0.046 0.000 1.188 441 D HN 0.341 nan 8.370 nan 0.000 0.430 442 P HA 0.098 nan 4.420 nan 0.000 0.267 442 P C -0.381 176.864 177.300 -0.093 0.000 1.209 442 P CA 0.042 63.083 63.100 -0.098 0.000 0.763 442 P CB 0.651 32.363 31.700 0.020 0.000 0.816 443 R N 2.462 122.889 120.500 -0.122 0.000 2.428 443 R HA 0.440 4.780 4.340 -0.000 0.000 0.294 443 R C 0.163 176.434 176.300 -0.049 0.000 1.000 443 R CA -1.059 54.996 56.100 -0.074 0.000 0.960 443 R CB 0.625 30.885 30.300 -0.068 0.000 1.076 443 R HN 0.451 nan 8.270 nan 0.000 0.475 444 L N 3.899 125.112 121.223 -0.016 0.000 2.462 444 L HA 0.017 4.357 4.340 -0.000 0.000 0.272 444 L C 0.611 177.474 176.870 -0.011 0.000 1.166 444 L CA -0.276 54.574 54.840 0.017 0.000 0.880 444 L CB -0.154 41.935 42.059 0.051 0.000 1.142 444 L HN 0.733 nan 8.230 nan 0.000 0.473 445 N N 0.726 119.418 118.700 -0.015 0.000 2.285 445 N HA -0.021 4.719 4.740 -0.000 0.000 0.262 445 N C 1.024 176.508 175.510 -0.043 0.000 1.299 445 N CA 0.087 53.117 53.050 -0.033 0.000 0.930 445 N CB -0.092 38.376 38.487 -0.032 0.000 1.157 445 N HN 0.551 nan 8.380 nan 0.000 0.532 446 T N -1.240 113.281 114.554 -0.055 0.000 2.565 446 T HA -0.321 4.029 4.350 -0.000 0.000 0.265 446 T C 1.546 176.185 174.700 -0.103 0.000 1.082 446 T CA 2.139 64.192 62.100 -0.080 0.000 1.173 446 T CB -0.493 68.338 68.868 -0.061 0.000 0.864 446 T HN 0.531 nan 8.240 nan 0.000 0.425 447 Q N -0.079 119.700 119.800 -0.035 0.000 2.020 447 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 447 Q C 2.694 178.665 176.000 -0.048 0.000 0.982 447 Q CA 1.807 57.615 55.803 0.009 0.000 0.838 447 Q CB -0.195 28.639 28.738 0.160 0.000 0.899 447 Q HN 0.701 nan 8.270 nan 0.000 0.423 448 Q N -0.330 119.468 119.800 -0.005 0.000 2.224 448 Q HA -0.094 4.245 4.340 -0.000 0.000 0.203 448 Q C 2.163 178.244 176.000 0.136 0.000 0.970 448 Q CA 1.183 57.030 55.803 0.074 0.000 0.865 448 Q CB 0.106 28.912 28.738 0.113 0.000 0.922 448 Q HN 0.182 nan 8.270 nan 0.000 0.445 449 S N 0.582 116.291 115.700 0.014 0.000 2.368 449 S HA -0.094 4.376 4.470 -0.000 0.000 0.224 449 S C 1.763 176.319 174.600 -0.073 0.000 1.029 449 S CA 0.778 58.969 58.200 -0.015 0.000 0.988 449 S CB -0.069 63.097 63.200 -0.056 0.000 0.838 449 S HN 0.161 nan 8.310 nan 0.000 0.462 450 L N 1.966 123.059 121.223 -0.215 0.000 2.046 450 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 450 L C 2.328 179.089 176.870 -0.183 0.000 1.077 450 L CA 1.591 56.220 54.840 -0.351 0.000 0.747 450 L CB -0.957 40.551 42.059 -0.918 0.000 0.896 450 L HN 0.312 nan 8.230 nan 0.000 0.432 451 E N -0.819 119.288 120.200 -0.155 0.000 2.058 451 E HA -0.277 4.072 4.350 -0.000 0.000 0.194 451 E C 2.171 178.888 176.600 0.196 0.000 0.997 451 E CA 1.321 57.694 56.400 -0.044 0.000 0.801 451 E CB -0.321 29.480 29.700 0.168 0.000 0.746 451 E HN 0.265 nan 8.360 nan 0.000 0.450 452 L N 0.882 122.242 121.223 0.228 0.000 2.046 452 L HA -0.113 4.226 4.340 -0.000 0.000 0.208 452 L C 2.218 179.139 176.870 0.085 0.000 1.077 452 L CA 1.871 56.799 54.840 0.146 0.000 0.747 452 L CB -0.516 41.582 42.059 0.066 0.000 0.896 452 L HN 0.030 nan 8.230 nan 0.000 0.432 453 A N -0.900 121.937 122.820 0.029 0.000 1.908 453 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 453 A C 2.138 179.684 177.584 -0.064 0.000 1.181 453 A CA 2.018 54.027 52.037 -0.046 0.000 0.627 453 A CB -1.147 17.772 19.000 -0.136 0.000 0.818 453 A HN 0.454 nan 8.150 nan 0.000 0.445 454 F N -0.056 119.874 119.950 -0.033 0.000 2.171 454 F HA -0.123 4.404 4.527 -0.000 0.000 0.300 454 F C 2.147 178.016 175.800 0.115 0.000 1.090 454 F CA 1.473 59.498 58.000 0.041 0.000 1.293 454 F CB -0.312 38.672 39.000 -0.027 0.000 1.013 454 F HN 0.106 nan 8.300 nan 0.000 0.486 455 L N -1.154 120.253 121.223 0.306 0.000 2.072 455 L HA -0.165 4.174 4.340 -0.000 0.000 0.205 455 L C 2.298 179.198 176.870 0.049 0.000 1.079 455 L CA 0.630 55.600 54.840 0.217 0.000 0.752 455 L CB -0.756 41.437 42.059 0.223 0.000 0.906 455 L HN -0.072 nan 8.230 nan 0.000 0.436 456 V N 0.180 120.098 119.914 0.007 0.000 2.515 456 V HA -0.250 3.870 4.120 -0.000 0.000 0.250 456 V C 2.740 178.724 176.094 -0.184 0.000 1.058 456 V CA 1.633 63.871 62.300 -0.104 0.000 1.064 456 V CB -0.835 30.997 31.823 0.015 0.000 0.675 456 V HN 0.461 nan 8.190 nan 0.000 0.461 457 A N -0.416 122.346 122.820 -0.097 0.000 1.933 457 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 457 A C 2.201 179.744 177.584 -0.069 0.000 1.175 457 A CA 1.811 53.789 52.037 -0.098 0.000 0.628 457 A CB -0.403 18.568 19.000 -0.048 0.000 0.814 457 A HN 0.612 nan 8.150 nan 0.000 0.444 458 E N -0.647 119.543 120.200 -0.015 0.000 2.072 458 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 458 E C 2.071 178.595 176.600 -0.127 0.000 0.985 458 E CA 1.390 57.780 56.400 -0.017 0.000 0.801 458 E CB -0.269 29.457 29.700 0.043 0.000 0.750 458 E HN 0.675 nan 8.360 nan 0.000 0.452 459 M N 0.352 119.793 119.600 -0.265 0.000 2.149 459 M HA -0.185 4.295 4.480 -0.000 0.000 0.261 459 M C 2.190 178.185 176.300 -0.508 0.000 1.064 459 M CA 1.290 56.280 55.300 -0.516 0.000 1.102 459 M CB -0.209 31.790 32.600 -1.002 0.000 1.369 459 M HN 0.117 nan 8.290 nan 0.000 0.408 460 L N -0.748 120.244 121.223 -0.386 0.000 2.291 460 L HA -0.049 4.290 4.340 -0.000 0.000 0.214 460 L C 1.014 177.841 176.870 -0.071 0.000 1.120 460 L CA 0.253 55.004 54.840 -0.148 0.000 0.799 460 L CB -0.315 41.626 42.059 -0.198 0.000 0.925 460 L HN 0.155 nan 8.230 nan 0.000 0.446 461 R N 1.084 121.532 120.500 -0.086 0.000 2.640 461 R HA -0.016 4.324 4.340 -0.000 0.000 0.270 461 R C 0.221 176.507 176.300 -0.024 0.000 1.024 461 R CA -0.186 55.883 56.100 -0.052 0.000 1.085 461 R CB 0.157 30.437 30.300 -0.034 0.000 0.963 461 R HN 0.112 nan 8.270 nan 0.000 0.426 462 D N 0.000 120.389 120.400 -0.019 0.000 6.856 462 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 462 D CA 0.000 54.001 54.000 0.001 0.000 0.868 462 D CB 0.000 40.795 40.800 -0.008 0.000 0.688 462 D HN 0.000 nan 8.370 nan 0.000 0.683