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 2phl_1_A DATA FIRST_RESID 11 DATA SEQUENCE DNPFYFNSDN SWNTLFKNQY GHIRVLQRFD QQSKRLQNLE DYRLVEFRSK DATA SEQUENCE PETLLLPQQA DAELLLVVRS GSAILVLVKP DDRREYFFLT SDNPIFSDHQ DATA SEQUENCE KIPAGTIFYL VNPDPKEDLR IIQLAMPVNN PQIHEFFLSS TEAQQSYLQE DATA SEQUENCE FSKHILEASF NSKFEEINRV LFEEEGQQEG VIVNIDSEQI KELSKHAKSS DATA SEQUENCE XXXXXXXXXN TIGNEFGNLT ERTDNSLNVL ISSIEMEEGA LFVPHYYSKA DATA SEQUENCE IVILVVNEGE AHVELVGPKG XXETLEYESY RAELSKDDVF VIPAAYPVAI DATA SEQUENCE KATSNVNFTG FGINANNNNR NLLAGKTDNV ISSIGRALDG KDVLGLTFSG DATA SEQUENCE SGDEVMKLIN KQSGSYFVDA H VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 11 D HA 0.000 nan 4.640 nan 0.000 0.175 11 D C 0.000 176.380 176.300 0.133 0.000 2.045 11 D CA 0.000 54.044 54.000 0.073 0.000 0.868 11 D CB 0.000 40.816 40.800 0.028 0.000 0.688 12 N N 1.748 120.540 118.700 0.155 0.000 2.437 12 N HA 0.278 5.018 4.740 -0.001 0.000 0.259 12 N C -1.767 173.729 175.510 -0.024 0.000 0.983 12 N CA -1.690 51.502 53.050 0.237 0.000 0.937 12 N CB 1.725 40.433 38.487 0.368 0.000 1.122 12 N HN 0.071 nan 8.380 nan 0.000 0.499 13 P HA 0.043 nan 4.420 nan 0.000 0.236 13 P C 0.408 177.289 177.300 -0.698 0.000 1.177 13 P CA 0.638 63.380 63.100 -0.597 0.000 0.773 13 P CB 0.049 31.296 31.700 -0.756 0.000 0.878 14 F N -2.065 117.781 119.950 -0.172 0.000 2.765 14 F HA 0.188 4.715 4.527 -0.001 0.000 0.302 14 F C 0.998 176.721 175.800 -0.129 0.000 1.111 14 F CA -0.444 57.384 58.000 -0.285 0.000 1.359 14 F CB -0.652 37.914 39.000 -0.724 0.000 1.097 14 F HN -0.153 nan 8.300 nan 0.000 0.577 15 Y N 0.196 120.530 120.300 0.057 0.000 2.341 15 Y HA 0.516 5.066 4.550 -0.001 0.000 0.337 15 Y C -1.388 174.480 175.900 -0.054 0.000 1.014 15 Y CA -2.269 56.004 58.100 0.288 0.000 1.111 15 Y CB 0.545 39.214 38.460 0.349 0.000 1.194 15 Y HN -0.103 nan 8.280 nan 0.000 0.462 16 F N 5.577 125.250 119.950 -0.461 0.000 2.443 16 F HA 0.251 4.777 4.527 -0.001 0.000 0.369 16 F C 0.279 175.731 175.800 -0.579 0.000 1.090 16 F CA -0.911 56.845 58.000 -0.408 0.000 1.129 16 F CB 0.693 39.555 39.000 -0.230 0.000 1.367 16 F HN 0.549 nan 8.300 nan 0.000 0.465 17 N N 1.689 120.084 118.700 -0.508 0.000 2.427 17 N HA -0.056 4.683 4.740 -0.001 0.000 0.269 17 N C 1.332 176.864 175.510 0.036 0.000 1.235 17 N CA 0.437 53.356 53.050 -0.219 0.000 0.934 17 N CB 0.929 39.433 38.487 0.029 0.000 1.121 17 N HN 0.703 nan 8.380 nan 0.000 0.480 18 S N 3.524 119.323 115.700 0.164 0.000 2.389 18 S HA -0.246 4.224 4.470 -0.001 0.000 0.231 18 S C 1.014 175.771 174.600 0.261 0.000 1.052 18 S CA 1.469 59.882 58.200 0.355 0.000 1.053 18 S CB -0.250 63.140 63.200 0.317 0.000 0.886 18 S HN 0.639 nan 8.310 nan 0.000 0.456 19 D N 2.833 123.326 120.400 0.156 0.000 2.271 19 D HA -0.115 4.524 4.640 -0.001 0.000 0.207 19 D C 1.103 177.460 176.300 0.095 0.000 0.983 19 D CA 1.609 55.673 54.000 0.108 0.000 0.878 19 D CB -0.523 40.329 40.800 0.087 0.000 0.920 19 D HN 1.009 nan 8.370 nan 0.000 0.479 20 N N -2.350 116.407 118.700 0.095 0.000 2.471 20 N HA 0.167 4.906 4.740 -0.001 0.000 0.270 20 N C 0.086 175.618 175.510 0.037 0.000 1.490 20 N CA -0.204 52.882 53.050 0.061 0.000 0.850 20 N CB 0.811 39.318 38.487 0.033 0.000 1.411 20 N HN -0.265 nan 8.380 nan 0.000 0.488 21 S N -0.810 114.928 115.700 0.063 0.000 2.593 21 S HA 0.247 4.716 4.470 -0.001 0.000 0.235 21 S C -0.435 174.088 174.600 -0.129 0.000 1.059 21 S CA -0.376 57.800 58.200 -0.039 0.000 0.953 21 S CB 0.264 63.429 63.200 -0.058 0.000 0.897 21 S HN 0.351 nan 8.310 nan 0.000 0.507 22 W N 2.344 123.658 121.300 0.024 0.000 2.436 22 W HA 0.618 5.278 4.660 -0.001 0.000 0.347 22 W C 0.241 176.763 176.519 0.004 0.000 1.136 22 W CA -0.589 56.765 57.345 0.014 0.000 1.286 22 W CB 0.480 29.956 29.460 0.027 0.000 1.253 22 W HN -0.075 nan 8.180 nan 0.000 0.617 23 N N 0.190 119.059 118.700 0.281 0.000 2.260 23 N HA 0.291 5.030 4.740 -0.001 0.000 0.293 23 N C -1.328 174.278 175.510 0.159 0.000 1.058 23 N CA -0.407 52.737 53.050 0.157 0.000 0.824 23 N CB 2.050 40.589 38.487 0.087 0.000 1.551 23 N HN 0.191 nan 8.380 nan 0.000 0.475 24 T N 3.324 117.937 114.554 0.099 0.000 2.779 24 T HA 0.117 4.467 4.350 -0.001 0.000 0.296 24 T C 1.630 176.392 174.700 0.103 0.000 0.938 24 T CA -0.266 61.885 62.100 0.085 0.000 1.119 24 T CB 0.933 69.805 68.868 0.007 0.000 0.891 24 T HN 0.269 nan 8.240 nan 0.000 0.526 25 L N 2.579 123.898 121.223 0.160 0.000 2.084 25 L HA 0.435 4.774 4.340 -0.001 0.000 0.202 25 L C 0.344 177.344 176.870 0.218 0.000 1.074 25 L CA 1.543 56.493 54.840 0.182 0.000 0.757 25 L CB -0.179 42.020 42.059 0.234 0.000 0.918 25 L HN 0.654 nan 8.230 nan 0.000 0.444 26 F N 0.326 120.328 119.950 0.087 0.000 2.619 26 F HA 0.458 4.985 4.527 -0.001 0.000 0.308 26 F C -0.923 174.929 175.800 0.086 0.000 1.097 26 F CA -1.036 56.997 58.000 0.054 0.000 0.953 26 F CB 1.205 40.215 39.000 0.017 0.000 1.287 26 F HN 0.008 nan 8.300 nan 0.000 0.446 27 K N 3.729 123.486 120.400 -1.073 0.000 2.561 27 K HA 0.610 4.929 4.320 -0.001 0.000 0.254 27 K C -2.286 173.857 176.600 -0.763 0.000 0.942 27 K CA -0.805 55.115 56.287 -0.611 0.000 0.818 27 K CB 2.013 34.361 32.500 -0.254 0.000 1.306 27 K HN 0.804 nan 8.250 nan 0.000 0.435 28 N N 0.982 119.468 118.700 -0.356 0.000 2.825 28 N HA 0.037 4.777 4.740 -0.001 0.000 0.253 28 N C 0.149 175.614 175.510 -0.075 0.000 1.426 28 N CA -0.717 52.223 53.050 -0.183 0.000 0.851 28 N CB 1.067 39.554 38.487 0.000 0.000 1.470 28 N HN 0.741 nan 8.380 nan 0.000 0.517 29 Q N -1.048 118.664 119.800 -0.145 0.000 2.534 29 Q HA -0.163 4.177 4.340 -0.001 0.000 0.218 29 Q C 0.008 175.764 176.000 -0.407 0.000 0.989 29 Q CA 1.896 57.522 55.803 -0.295 0.000 0.903 29 Q CB -0.712 27.781 28.738 -0.407 0.000 0.942 29 Q HN 0.659 nan 8.270 nan 0.000 0.501 30 Y N -0.660 119.667 120.300 0.044 0.000 2.444 30 Y HA 0.475 5.025 4.550 -0.001 0.000 0.252 30 Y C 1.117 177.030 175.900 0.021 0.000 1.091 30 Y CA 0.118 58.246 58.100 0.046 0.000 1.276 30 Y CB 1.524 40.032 38.460 0.079 0.000 1.170 30 Y HN 0.230 nan 8.280 nan 0.000 0.517 31 G N -0.928 107.964 108.800 0.154 0.000 2.340 31 G HA2 0.422 4.382 3.960 -0.001 0.000 0.299 31 G HA3 0.422 4.382 3.960 -0.001 0.000 0.299 31 G C -1.885 173.065 174.900 0.083 0.000 1.291 31 G CA -0.641 44.461 45.100 0.003 0.000 0.841 31 G HN 0.202 nan 8.290 nan 0.000 0.500 32 H N -1.795 117.226 119.070 -0.081 0.000 3.014 32 H HA 0.705 5.260 4.556 -0.001 0.000 0.337 32 H C -1.948 173.444 175.328 0.106 0.000 1.320 32 H CA -0.963 55.094 56.048 0.015 0.000 1.128 32 H CB 1.634 31.348 29.762 -0.080 0.000 1.862 32 H HN 0.618 nan 8.280 nan 0.000 0.536 33 I N 2.037 122.836 120.570 0.382 0.000 2.571 33 I HA 0.428 4.598 4.170 -0.001 0.000 0.289 33 I C -0.690 175.615 176.117 0.313 0.000 1.115 33 I CA -0.526 61.003 61.300 0.382 0.000 1.045 33 I CB 2.265 40.529 38.000 0.440 0.000 1.238 33 I HN 0.428 nan 8.210 nan 0.000 0.424 34 R N 4.572 125.244 120.500 0.287 0.000 2.795 34 R HA 0.854 5.194 4.340 -0.001 0.000 0.275 34 R C -1.451 175.088 176.300 0.398 0.000 0.981 34 R CA -1.056 55.215 56.100 0.285 0.000 0.917 34 R CB 2.950 33.390 30.300 0.232 0.000 1.202 34 R HN 0.239 nan 8.270 nan 0.000 0.469 35 V N 2.421 122.557 119.914 0.370 0.000 2.555 35 V HA 0.300 4.420 4.120 -0.001 0.000 0.302 35 V C -0.453 175.742 176.094 0.169 0.000 1.038 35 V CA -1.007 61.468 62.300 0.292 0.000 0.887 35 V CB 1.867 33.758 31.823 0.112 0.000 0.991 35 V HN 0.515 nan 8.190 nan 0.000 0.434 36 L N 4.675 125.806 121.223 -0.154 0.000 2.426 36 L HA 0.357 4.696 4.340 -0.001 0.000 0.271 36 L C 0.726 177.312 176.870 -0.474 0.000 1.169 36 L CA 0.411 54.841 54.840 -0.683 0.000 0.836 36 L CB 1.015 42.406 42.059 -1.114 0.000 1.112 36 L HN 0.893 nan 8.230 nan 0.000 0.465 37 Q N 3.816 123.363 119.800 -0.421 0.000 2.584 37 Q HA 0.172 4.512 4.340 -0.001 0.000 0.235 37 Q C -0.582 175.136 176.000 -0.471 0.000 1.079 37 Q CA -0.249 55.373 55.803 -0.300 0.000 0.977 37 Q CB 0.228 28.873 28.738 -0.154 0.000 1.293 37 Q HN 0.578 nan 8.270 nan 0.000 0.553 38 R N 0.411 120.722 120.500 -0.314 0.000 2.491 38 R HA 0.074 4.413 4.340 -0.001 0.000 0.283 38 R C 0.401 176.557 176.300 -0.240 0.000 1.072 38 R CA -0.166 55.739 56.100 -0.325 0.000 1.048 38 R CB 0.261 30.483 30.300 -0.131 0.000 0.983 38 R HN 0.618 nan 8.270 nan 0.000 0.450 39 F N 1.513 121.434 119.950 -0.049 0.000 2.102 39 F HA -0.223 4.304 4.527 -0.001 0.000 0.298 39 F C 2.296 178.132 175.800 0.060 0.000 1.105 39 F CA 1.440 59.443 58.000 0.006 0.000 1.239 39 F CB -0.356 38.584 39.000 -0.099 0.000 0.991 39 F HN 0.620 nan 8.300 nan 0.000 0.474 40 D N 0.079 120.602 120.400 0.204 0.000 2.309 40 D HA -0.192 4.448 4.640 -0.001 0.000 0.212 40 D C 1.721 178.055 176.300 0.057 0.000 0.968 40 D CA 0.947 55.011 54.000 0.106 0.000 0.882 40 D CB -0.561 40.285 40.800 0.077 0.000 0.918 40 D HN 0.401 nan 8.370 nan 0.000 0.503 41 Q N -0.094 119.734 119.800 0.046 0.000 2.163 41 Q HA -0.088 4.251 4.340 -0.001 0.000 0.198 41 Q C 2.290 178.291 176.000 0.001 0.000 0.954 41 Q CA 0.871 56.680 55.803 0.010 0.000 0.851 41 Q CB 0.036 28.767 28.738 -0.011 0.000 0.928 41 Q HN 0.343 nan 8.270 nan 0.000 0.459 42 Q N 0.017 119.834 119.800 0.029 0.000 2.084 42 Q HA -0.101 4.239 4.340 -0.001 0.000 0.202 42 Q C -0.107 175.851 176.000 -0.070 0.000 0.978 42 Q CA 1.231 57.006 55.803 -0.047 0.000 0.844 42 Q CB 0.302 28.984 28.738 -0.093 0.000 0.898 42 Q HN 0.144 nan 8.270 nan 0.000 0.426 43 S N -2.162 113.522 115.700 -0.027 0.000 2.556 43 S HA 0.263 4.733 4.470 -0.001 0.000 0.280 43 S C -0.536 174.049 174.600 -0.026 0.000 1.141 43 S CA -0.818 57.346 58.200 -0.060 0.000 0.883 43 S CB 1.183 64.293 63.200 -0.150 0.000 1.103 43 S HN 0.275 nan 8.310 nan 0.000 0.453 44 K N 1.723 122.108 120.400 -0.024 0.000 2.280 44 K HA -0.009 4.311 4.320 -0.001 0.000 0.202 44 K C 2.050 178.646 176.600 -0.006 0.000 1.047 44 K CA 1.126 57.409 56.287 -0.006 0.000 0.942 44 K CB -0.128 32.370 32.500 -0.004 0.000 0.739 44 K HN 0.531 nan 8.250 nan 0.000 0.457 45 R N 0.215 120.697 120.500 -0.029 0.000 2.105 45 R HA -0.107 4.232 4.340 -0.001 0.000 0.239 45 R C 0.889 177.188 176.300 -0.001 0.000 1.135 45 R CA 0.856 56.948 56.100 -0.012 0.000 0.967 45 R CB -0.241 30.026 30.300 -0.055 0.000 0.861 45 R HN 0.048 nan 8.270 nan 0.000 0.442 46 L N 2.195 123.414 121.223 -0.008 0.000 2.779 46 L HA 0.002 4.341 4.340 -0.001 0.000 0.239 46 L C 2.020 178.911 176.870 0.034 0.000 1.245 46 L CA 0.803 55.652 54.840 0.016 0.000 1.064 46 L CB -0.507 41.600 42.059 0.080 0.000 1.350 46 L HN 0.220 nan 8.230 nan 0.000 0.455 47 Q N -1.536 118.278 119.800 0.023 0.000 2.167 47 Q HA -0.143 4.196 4.340 -0.001 0.000 0.202 47 Q C 0.961 176.981 176.000 0.033 0.000 0.970 47 Q CA 1.363 57.185 55.803 0.032 0.000 0.855 47 Q CB -0.174 28.577 28.738 0.022 0.000 0.911 47 Q HN 0.253 nan 8.270 nan 0.000 0.438 48 N N 0.219 118.926 118.700 0.012 0.000 2.485 48 N HA 0.103 4.843 4.740 -0.001 0.000 0.199 48 N C 0.369 175.907 175.510 0.045 0.000 1.236 48 N CA 0.504 53.566 53.050 0.021 0.000 0.852 48 N CB 0.346 38.830 38.487 -0.006 0.000 1.018 48 N HN 0.370 nan 8.380 nan 0.000 0.457 49 L N -0.657 120.596 121.223 0.049 0.000 2.858 49 L HA 0.184 4.523 4.340 -0.001 0.000 0.251 49 L C 1.768 178.789 176.870 0.252 0.000 1.149 49 L CA 0.036 54.930 54.840 0.089 0.000 0.955 49 L CB 0.333 42.254 42.059 -0.230 0.000 1.289 49 L HN 0.106 nan 8.230 nan 0.000 0.542 50 E N 0.973 121.269 120.200 0.161 0.000 2.219 50 E HA -0.253 4.096 4.350 -0.001 0.000 0.198 50 E C 0.591 177.238 176.600 0.078 0.000 0.998 50 E CA 1.356 57.829 56.400 0.121 0.000 0.818 50 E CB 0.293 30.027 29.700 0.058 0.000 0.741 50 E HN 0.448 nan 8.360 nan 0.000 0.477 51 D N -0.966 119.455 120.400 0.035 0.000 2.339 51 D HA 0.021 4.660 4.640 -0.001 0.000 0.217 51 D C -0.557 175.528 176.300 -0.358 0.000 1.050 51 D CA 0.387 54.271 54.000 -0.192 0.000 0.856 51 D CB 0.143 40.735 40.800 -0.346 0.000 0.922 51 D HN 0.177 nan 8.370 nan 0.000 0.518 52 Y N -0.050 120.287 120.300 0.061 0.000 2.549 52 Y HA 0.556 5.105 4.550 -0.001 0.000 0.339 52 Y C 0.852 176.854 175.900 0.171 0.000 1.053 52 Y CA -0.916 57.224 58.100 0.068 0.000 1.105 52 Y CB 1.505 39.965 38.460 0.001 0.000 1.258 52 Y HN -0.426 nan 8.280 nan 0.000 0.478 53 R N 0.957 121.596 120.500 0.232 0.000 2.764 53 R HA 0.601 4.941 4.340 -0.001 0.000 0.270 53 R C -2.117 174.207 176.300 0.041 0.000 1.014 53 R CA -1.253 54.882 56.100 0.059 0.000 0.904 53 R CB 1.984 32.252 30.300 -0.054 0.000 1.236 53 R HN 0.540 nan 8.270 nan 0.000 0.466 54 L N 0.777 121.981 121.223 -0.032 0.000 2.356 54 L HA 0.524 4.863 4.340 -0.001 0.000 0.277 54 L C -0.764 176.225 176.870 0.199 0.000 0.996 54 L CA -0.633 54.246 54.840 0.065 0.000 0.822 54 L CB 2.150 44.245 42.059 0.060 0.000 1.256 54 L HN 0.278 nan 8.230 nan 0.000 0.413 55 V N 3.222 123.291 119.914 0.257 0.000 2.628 55 V HA 0.608 4.727 4.120 -0.001 0.000 0.306 55 V C -0.365 175.941 176.094 0.353 0.000 1.045 55 V CA -0.699 61.791 62.300 0.316 0.000 0.905 55 V CB 1.966 33.909 31.823 0.200 0.000 0.997 55 V HN 0.695 nan 8.190 nan 0.000 0.436 56 E N 3.634 124.023 120.200 0.315 0.000 2.272 56 E HA 0.517 4.866 4.350 -0.001 0.000 0.269 56 E C -2.217 174.492 176.600 0.181 0.000 0.877 56 E CA -0.514 55.967 56.400 0.134 0.000 0.755 56 E CB 2.515 32.030 29.700 -0.309 0.000 1.192 56 E HN 0.521 nan 8.360 nan 0.000 0.422 57 F N 4.127 124.055 119.950 -0.036 0.000 2.596 57 F HA 0.530 5.057 4.527 -0.001 0.000 0.311 57 F C -1.597 174.071 175.800 -0.222 0.000 1.116 57 F CA -0.688 57.251 58.000 -0.102 0.000 0.957 57 F CB 1.445 40.459 39.000 0.024 0.000 1.250 57 F HN 0.430 nan 8.300 nan 0.000 0.444 58 R N 4.398 124.079 120.500 -1.366 0.000 2.628 58 R HA 0.681 5.020 4.340 -0.001 0.000 0.288 58 R C -1.791 173.845 176.300 -1.106 0.000 0.980 58 R CA -0.488 54.980 56.100 -1.053 0.000 0.891 58 R CB 2.175 32.022 30.300 -0.756 0.000 1.188 58 R HN 0.798 nan 8.270 nan 0.000 0.450 59 S N 2.144 117.463 115.700 -0.635 0.000 2.542 59 S HA 0.489 4.959 4.470 -0.001 0.000 0.293 59 S C -1.117 173.440 174.600 -0.071 0.000 1.089 59 S CA -0.707 57.323 58.200 -0.284 0.000 0.961 59 S CB 1.532 64.710 63.200 -0.036 0.000 1.062 59 S HN 0.532 nan 8.310 nan 0.000 0.483 60 K N 2.516 122.937 120.400 0.034 0.000 2.102 60 K HA 0.527 4.847 4.320 -0.001 0.000 0.244 60 K C -2.452 174.199 176.600 0.086 0.000 1.021 60 K CA -1.771 54.560 56.287 0.074 0.000 0.913 60 K CB 0.298 32.892 32.500 0.156 0.000 1.062 60 K HN 0.348 nan 8.250 nan 0.000 0.485 61 P HA -0.012 nan 4.420 nan 0.000 0.269 61 P C -1.126 176.218 177.300 0.073 0.000 1.209 61 P CA 0.339 63.479 63.100 0.068 0.000 0.776 61 P CB 0.294 32.028 31.700 0.057 0.000 0.876 62 E N -1.222 119.014 120.200 0.059 0.000 2.252 62 E HA -0.140 4.209 4.350 -0.001 0.000 0.199 62 E C -0.208 176.401 176.600 0.014 0.000 1.352 62 E CA 0.549 56.975 56.400 0.043 0.000 0.682 62 E CB -2.079 27.645 29.700 0.040 0.000 1.142 62 E HN 0.672 nan 8.360 nan 0.000 0.367 63 T N -1.706 112.865 114.554 0.030 0.000 2.864 63 T HA 0.807 5.156 4.350 -0.001 0.000 0.289 63 T C -0.546 174.183 174.700 0.047 0.000 1.082 63 T CA -1.120 60.979 62.100 -0.001 0.000 1.009 63 T CB 2.386 71.279 68.868 0.042 0.000 1.234 63 T HN 0.210 nan 8.240 nan 0.000 0.526 64 L N 0.298 121.541 121.223 0.034 0.000 2.455 64 L HA 0.695 5.034 4.340 -0.001 0.000 0.264 64 L C -1.697 175.216 176.870 0.072 0.000 0.968 64 L CA -0.993 53.886 54.840 0.065 0.000 0.827 64 L CB 2.010 44.080 42.059 0.018 0.000 1.317 64 L HN 0.844 nan 8.230 nan 0.000 0.407 65 L N 5.605 126.886 121.223 0.096 0.000 2.265 65 L HA 0.454 4.794 4.340 -0.001 0.000 0.289 65 L C -0.493 176.406 176.870 0.048 0.000 1.033 65 L CA -0.685 54.200 54.840 0.075 0.000 0.814 65 L CB 1.150 43.203 42.059 -0.009 0.000 1.203 65 L HN 0.738 nan 8.230 nan 0.000 0.423 66 L N 6.156 127.404 121.223 0.042 0.000 2.499 66 L HA 0.115 4.455 4.340 -0.001 0.000 0.281 66 L C -1.912 174.980 176.870 0.036 0.000 1.234 66 L CA -1.510 53.344 54.840 0.024 0.000 0.839 66 L CB -0.214 41.856 42.059 0.018 0.000 1.104 66 L HN 0.460 nan 8.230 nan 0.000 0.500 67 P HA 0.011 nan 4.420 nan 0.000 0.265 67 P C -1.279 175.910 177.300 -0.185 0.000 1.193 67 P CA 0.085 63.135 63.100 -0.083 0.000 0.765 67 P CB 0.557 32.240 31.700 -0.027 0.000 0.823 68 Q N 1.052 120.618 119.800 -0.390 0.000 2.685 68 Q HA 0.588 4.928 4.340 -0.001 0.000 0.301 68 Q C -1.729 174.088 176.000 -0.306 0.000 0.924 68 Q CA -1.070 54.457 55.803 -0.459 0.000 0.755 68 Q CB 1.557 29.637 28.738 -1.097 0.000 1.470 68 Q HN 0.329 nan 8.270 nan 0.000 0.434 69 Q N 0.749 120.495 119.800 -0.091 0.000 2.359 69 Q HA 0.841 5.181 4.340 -0.001 0.000 0.274 69 Q C -1.878 174.199 176.000 0.128 0.000 1.074 69 Q CA -0.627 55.210 55.803 0.057 0.000 0.810 69 Q CB 2.435 31.218 28.738 0.075 0.000 1.342 69 Q HN 0.883 nan 8.270 nan 0.000 0.427 70 A N 1.946 124.875 122.820 0.181 0.000 2.384 70 A HA 0.548 4.867 4.320 -0.001 0.000 0.312 70 A C -0.479 177.206 177.584 0.169 0.000 1.113 70 A CA -0.312 51.843 52.037 0.198 0.000 0.779 70 A CB 1.156 20.253 19.000 0.162 0.000 1.307 70 A HN 0.861 nan 8.150 nan 0.000 0.436 71 D N 0.209 120.726 120.400 0.196 0.000 2.870 71 D HA 0.464 5.103 4.640 -0.001 0.000 0.241 71 D C -0.015 176.331 176.300 0.077 0.000 1.234 71 D CA 0.558 54.641 54.000 0.139 0.000 0.844 71 D CB -0.101 40.823 40.800 0.207 0.000 1.051 71 D HN 0.770 nan 8.370 nan 0.000 0.469 72 A N -0.015 122.835 122.820 0.051 0.000 2.574 72 A HA 0.453 4.772 4.320 -0.001 0.000 0.297 72 A C -0.535 177.041 177.584 -0.014 0.000 1.062 72 A CA -0.875 51.165 52.037 0.006 0.000 0.686 72 A CB 1.450 20.447 19.000 -0.005 0.000 1.285 72 A HN 0.026 nan 8.150 nan 0.000 0.403 73 E N 0.663 120.839 120.200 -0.039 0.000 2.360 73 E HA 0.385 4.735 4.350 -0.001 0.000 0.269 73 E C -1.103 175.457 176.600 -0.067 0.000 1.022 73 E CA -0.093 56.275 56.400 -0.053 0.000 0.887 73 E CB 1.110 30.780 29.700 -0.051 0.000 0.990 73 E HN 0.374 nan 8.360 nan 0.000 0.426 74 L N 2.935 124.100 121.223 -0.098 0.000 2.346 74 L HA 0.392 4.732 4.340 -0.001 0.000 0.274 74 L C -0.607 176.193 176.870 -0.117 0.000 1.007 74 L CA -0.802 53.968 54.840 -0.117 0.000 0.818 74 L CB 1.368 43.319 42.059 -0.181 0.000 1.284 74 L HN 0.359 nan 8.230 nan 0.000 0.424 75 L N 3.948 125.116 121.223 -0.091 0.000 2.388 75 L HA 0.553 4.893 4.340 -0.001 0.000 0.267 75 L C -1.142 175.738 176.870 0.018 0.000 0.995 75 L CA -0.114 54.700 54.840 -0.043 0.000 0.864 75 L CB 1.193 43.240 42.059 -0.019 0.000 1.216 75 L HN 0.540 nan 8.230 nan 0.000 0.430 76 L N 5.657 126.879 121.223 -0.002 0.000 2.292 76 L HA 0.724 5.063 4.340 -0.001 0.000 0.284 76 L C -1.055 175.893 176.870 0.128 0.000 1.065 76 L CA -0.392 54.469 54.840 0.036 0.000 0.806 76 L CB 1.298 43.309 42.059 -0.080 0.000 1.175 76 L HN 0.458 nan 8.230 nan 0.000 0.431 77 V N 5.417 125.440 119.914 0.181 0.000 2.482 77 V HA 0.244 4.363 4.120 -0.001 0.000 0.295 77 V C -0.227 175.946 176.094 0.132 0.000 1.026 77 V CA -0.780 61.630 62.300 0.183 0.000 0.856 77 V CB 1.726 33.673 31.823 0.207 0.000 1.001 77 V HN 0.437 nan 8.190 nan 0.000 0.424 78 V N 6.637 126.606 119.914 0.092 0.000 2.397 78 V HA 0.152 4.271 4.120 -0.001 0.000 0.262 78 V C 1.628 177.761 176.094 0.066 0.000 1.047 78 V CA 0.009 62.349 62.300 0.067 0.000 1.003 78 V CB 0.446 32.285 31.823 0.027 0.000 1.037 78 V HN 1.006 nan 8.190 nan 0.000 0.480 79 R N 2.558 123.099 120.500 0.068 0.000 2.280 79 R HA 0.257 4.596 4.340 -0.001 0.000 0.195 79 R C 0.106 176.428 176.300 0.038 0.000 0.935 79 R CA 0.064 56.197 56.100 0.055 0.000 1.033 79 R CB 0.426 30.764 30.300 0.064 0.000 0.964 79 R HN 0.552 nan 8.270 nan 0.000 0.489 80 S N -0.755 114.965 115.700 0.034 0.000 2.560 80 S HA 0.558 5.027 4.470 -0.001 0.000 0.283 80 S C -0.562 174.050 174.600 0.020 0.000 1.141 80 S CA -0.293 57.920 58.200 0.023 0.000 0.902 80 S CB 1.834 65.041 63.200 0.012 0.000 1.104 80 S HN 0.683 nan 8.310 nan 0.000 0.454 81 G N 2.212 111.023 108.800 0.019 0.000 2.568 81 G HA2 0.059 4.018 3.960 -0.001 0.000 0.222 81 G HA3 0.059 4.018 3.960 -0.001 0.000 0.222 81 G C -0.658 174.234 174.900 -0.013 0.000 1.321 81 G CA -0.271 44.836 45.100 0.011 0.000 0.893 81 G HN 1.329 nan 8.290 nan 0.000 0.569 82 S N -0.823 114.841 115.700 -0.060 0.000 2.595 82 S HA 0.980 5.450 4.470 -0.001 0.000 0.281 82 S C 0.015 174.470 174.600 -0.242 0.000 1.117 82 S CA 0.317 58.395 58.200 -0.203 0.000 0.873 82 S CB 1.856 64.913 63.200 -0.239 0.000 1.108 82 S HN 2.297 nan 8.310 nan 0.000 0.477 83 A N 1.205 123.782 122.820 -0.406 0.000 2.572 83 A HA 0.834 5.153 4.320 -0.001 0.000 0.295 83 A C -1.645 175.717 177.584 -0.369 0.000 1.072 83 A CA -0.653 51.226 52.037 -0.264 0.000 0.691 83 A CB 0.898 19.836 19.000 -0.103 0.000 1.291 83 A HN 0.730 nan 8.150 nan 0.000 0.404 84 I N 1.776 122.248 120.570 -0.163 0.000 2.382 84 I HA 0.383 4.552 4.170 -0.001 0.000 0.285 84 I C -0.872 175.246 176.117 0.000 0.000 1.007 84 I CA -0.575 60.693 61.300 -0.053 0.000 1.142 84 I CB 1.559 39.594 38.000 0.059 0.000 1.289 84 I HN 0.574 nan 8.210 nan 0.000 0.453 85 L N 8.866 130.112 121.223 0.040 0.000 2.307 85 L HA 0.754 5.094 4.340 -0.001 0.000 0.284 85 L C -0.969 175.907 176.870 0.011 0.000 1.023 85 L CA -0.419 54.452 54.840 0.051 0.000 0.810 85 L CB 1.753 43.865 42.059 0.089 0.000 1.231 85 L HN 0.402 nan 8.230 nan 0.000 0.423 86 V N 6.430 126.217 119.914 -0.212 0.000 2.577 86 V HA 0.583 4.703 4.120 -0.001 0.000 0.303 86 V C -1.500 174.394 176.094 -0.333 0.000 1.042 86 V CA -0.571 61.453 62.300 -0.461 0.000 0.872 86 V CB 1.906 33.221 31.823 -0.847 0.000 0.998 86 V HN 0.688 nan 8.190 nan 0.000 0.423 87 L N 6.845 127.933 121.223 -0.225 0.000 2.295 87 L HA 0.614 4.954 4.340 -0.001 0.000 0.285 87 L C -0.057 176.734 176.870 -0.132 0.000 1.035 87 L CA -0.176 54.621 54.840 -0.072 0.000 0.806 87 L CB 1.785 43.867 42.059 0.039 0.000 1.214 87 L HN 0.552 nan 8.230 nan 0.000 0.426 88 V N 4.102 123.995 119.914 -0.035 0.000 2.293 88 V HA 0.382 4.502 4.120 -0.001 0.000 0.275 88 V C 0.230 176.339 176.094 0.023 0.000 1.021 88 V CA -0.953 61.343 62.300 -0.006 0.000 0.815 88 V CB 0.875 32.735 31.823 0.061 0.000 1.025 88 V HN 0.630 nan 8.190 nan 0.000 0.448 89 K N 6.301 126.707 120.400 0.010 0.000 2.118 89 K HA 0.384 4.703 4.320 -0.001 0.000 0.264 89 K C -1.237 175.378 176.600 0.026 0.000 1.000 89 K CA -1.629 54.670 56.287 0.021 0.000 0.929 89 K CB 1.324 33.833 32.500 0.014 0.000 1.021 89 K HN 0.302 nan 8.250 nan 0.000 0.463 90 P HA -0.174 nan 4.420 nan 0.000 0.217 90 P C -0.313 177.002 177.300 0.024 0.000 1.150 90 P CA 1.364 64.480 63.100 0.027 0.000 0.832 90 P CB 0.006 31.719 31.700 0.022 0.000 0.787 91 D N 0.109 120.522 120.400 0.021 0.000 2.994 91 D HA 0.121 4.761 4.640 -0.001 0.000 0.240 91 D C -0.239 176.075 176.300 0.024 0.000 1.195 91 D CA -0.771 53.242 54.000 0.020 0.000 0.957 91 D CB -1.387 39.423 40.800 0.016 0.000 1.105 91 D HN -0.011 nan 8.370 nan 0.000 0.477 92 D N 0.206 120.623 120.400 0.029 0.000 2.697 92 D HA -0.218 4.421 4.640 -0.001 0.000 0.238 92 D C -0.836 175.487 176.300 0.038 0.000 1.152 92 D CA 0.711 54.732 54.000 0.036 0.000 0.666 92 D CB -0.404 40.417 40.800 0.034 0.000 1.037 92 D HN 0.454 nan 8.370 nan 0.000 0.423 93 R N 0.189 120.707 120.500 0.030 0.000 2.673 93 R HA 0.745 5.085 4.340 -0.001 0.000 0.281 93 R C -0.491 175.804 176.300 -0.010 0.000 0.991 93 R CA -0.906 55.208 56.100 0.023 0.000 0.896 93 R CB 1.589 31.901 30.300 0.019 0.000 1.201 93 R HN -0.036 nan 8.270 nan 0.000 0.457 94 R N 0.632 121.108 120.500 -0.040 0.000 2.808 94 R HA 0.388 4.728 4.340 -0.001 0.000 0.272 94 R C -1.256 174.877 176.300 -0.279 0.000 0.995 94 R CA -0.857 55.121 56.100 -0.203 0.000 0.917 94 R CB 2.128 32.220 30.300 -0.346 0.000 1.217 94 R HN 0.459 nan 8.270 nan 0.000 0.471 95 E N 0.914 120.836 120.200 -0.463 0.000 2.218 95 E HA 0.332 4.682 4.350 -0.001 0.000 0.263 95 E C -1.456 174.619 176.600 -0.876 0.000 0.879 95 E CA -0.522 55.565 56.400 -0.522 0.000 0.762 95 E CB 1.329 30.831 29.700 -0.330 0.000 1.166 95 E HN 0.382 nan 8.360 nan 0.000 0.415 96 Y N 2.745 122.628 120.300 -0.694 0.000 2.328 96 Y HA 0.497 5.047 4.550 -0.001 0.000 0.337 96 Y C -0.560 174.917 175.900 -0.705 0.000 1.008 96 Y CA -0.653 57.095 58.100 -0.587 0.000 1.129 96 Y CB 0.762 38.922 38.460 -0.500 0.000 1.185 96 Y HN 0.360 nan 8.280 nan 0.000 0.476 97 F N 3.255 123.232 119.950 0.045 0.000 2.556 97 F HA 0.421 4.947 4.527 -0.000 0.000 0.314 97 F C -1.006 174.828 175.800 0.057 0.000 1.106 97 F CA -1.229 56.801 58.000 0.051 0.000 0.911 97 F CB 1.486 40.483 39.000 -0.004 0.000 1.190 97 F HN 0.300 nan 8.300 nan 0.000 0.448 98 F N 4.950 124.947 119.950 0.079 0.000 2.402 98 F HA 0.698 5.224 4.527 -0.001 0.000 0.355 98 F C -1.636 174.111 175.800 -0.089 0.000 1.123 98 F CA -0.791 57.139 58.000 -0.116 0.000 1.021 98 F CB 0.640 39.399 39.000 -0.402 0.000 1.160 98 F HN 0.149 nan 8.300 nan 0.000 0.451 99 L N 4.987 126.016 121.223 -0.323 0.000 2.346 99 L HA 0.655 4.994 4.340 -0.001 0.000 0.274 99 L C -0.195 176.542 176.870 -0.222 0.000 1.007 99 L CA -0.514 54.242 54.840 -0.140 0.000 0.818 99 L CB 1.725 43.728 42.059 -0.092 0.000 1.284 99 L HN 0.735 nan 8.230 nan 0.000 0.424 100 T N -2.655 111.904 114.554 0.008 0.000 2.864 100 T HA 0.416 4.765 4.350 -0.001 0.000 0.299 100 T C 0.764 175.510 174.700 0.076 0.000 1.166 100 T CA -0.004 62.129 62.100 0.056 0.000 1.007 100 T CB 1.720 70.728 68.868 0.235 0.000 1.219 100 T HN 0.514 nan 8.240 nan 0.000 0.506 101 S N -0.096 115.643 115.700 0.065 0.000 2.404 101 S HA 0.024 4.493 4.470 -0.001 0.000 0.223 101 S C 0.894 175.532 174.600 0.062 0.000 1.040 101 S CA 0.845 59.079 58.200 0.057 0.000 0.957 101 S CB -0.372 62.854 63.200 0.044 0.000 0.826 101 S HN 0.651 nan 8.310 nan 0.000 0.491 102 D N 1.871 122.315 120.400 0.074 0.000 2.463 102 D HA 0.147 4.786 4.640 -0.001 0.000 0.237 102 D C 0.315 176.653 176.300 0.063 0.000 1.013 102 D CA 0.229 54.265 54.000 0.060 0.000 0.910 102 D CB -0.280 40.548 40.800 0.046 0.000 1.080 102 D HN 0.525 nan 8.370 nan 0.000 0.498 103 N N 1.945 120.705 118.700 0.099 0.000 2.468 103 N HA 0.022 4.761 4.740 -0.001 0.000 0.265 103 N C -2.304 173.216 175.510 0.018 0.000 1.199 103 N CA -0.820 52.270 53.050 0.066 0.000 0.928 103 N CB 1.522 40.073 38.487 0.106 0.000 1.059 103 N HN -0.141 nan 8.380 nan 0.000 0.467 104 P HA 0.047 nan 4.420 nan 0.000 0.251 104 P C 0.713 177.928 177.300 -0.141 0.000 1.251 104 P CA 0.287 63.351 63.100 -0.060 0.000 0.763 104 P CB 0.116 31.786 31.700 -0.050 0.000 1.067 105 I N -2.745 117.658 120.570 -0.280 0.000 3.035 105 I HA 0.116 4.286 4.170 -0.001 0.000 0.271 105 I C 0.803 176.511 176.117 -0.682 0.000 1.190 105 I CA 0.401 61.356 61.300 -0.574 0.000 1.472 105 I CB -0.815 36.626 38.000 -0.931 0.000 1.116 105 I HN -0.146 nan 8.210 nan 0.000 0.443 106 F N -0.077 119.916 119.950 0.072 0.000 2.598 106 F HA 0.543 5.069 4.527 -0.001 0.000 0.327 106 F C 0.879 176.703 175.800 0.040 0.000 1.057 106 F CA -1.174 56.886 58.000 0.099 0.000 0.957 106 F CB 0.929 40.065 39.000 0.228 0.000 1.278 106 F HN -0.362 nan 8.300 nan 0.000 0.484 107 S N 0.091 115.912 115.700 0.202 0.000 2.614 107 S HA 0.178 4.647 4.470 -0.001 0.000 0.265 107 S C 0.412 174.987 174.600 -0.042 0.000 1.303 107 S CA -0.341 57.844 58.200 -0.025 0.000 1.000 107 S CB 0.488 63.594 63.200 -0.157 0.000 0.935 107 S HN 0.775 nan 8.310 nan 0.000 0.551 108 D N 0.200 120.490 120.400 -0.183 0.000 2.431 108 D HA 0.124 4.764 4.640 -0.001 0.000 0.213 108 D C 0.036 176.314 176.300 -0.038 0.000 1.130 108 D CA 0.009 53.968 54.000 -0.069 0.000 0.834 108 D CB -0.209 40.597 40.800 0.009 0.000 0.985 108 D HN 0.710 nan 8.370 nan 0.000 0.504 109 H N -2.681 116.395 119.070 0.010 0.000 2.990 109 H HA 0.725 5.280 4.556 -0.001 0.000 0.336 109 H C -1.528 173.745 175.328 -0.091 0.000 1.306 109 H CA -0.995 55.042 56.048 -0.018 0.000 1.118 109 H CB 0.938 30.711 29.762 0.018 0.000 1.856 109 H HN -0.095 nan 8.280 nan 0.000 0.538 110 Q N 0.782 120.628 119.800 0.077 0.000 2.364 110 Q HA 0.241 4.580 4.340 -0.001 0.000 0.257 110 Q C -1.527 174.370 176.000 -0.172 0.000 0.956 110 Q CA -0.698 55.015 55.803 -0.149 0.000 0.924 110 Q CB 1.868 30.320 28.738 -0.477 0.000 1.413 110 Q HN 0.800 nan 8.270 nan 0.000 0.418 111 K N 4.164 124.474 120.400 -0.150 0.000 2.270 111 K HA 0.468 4.788 4.320 -0.001 0.000 0.276 111 K C -0.809 175.669 176.600 -0.202 0.000 1.023 111 K CA -0.168 56.037 56.287 -0.137 0.000 0.955 111 K CB 0.508 32.961 32.500 -0.080 0.000 0.975 111 K HN 0.740 nan 8.250 nan 0.000 0.471 112 I N 6.244 126.690 120.570 -0.206 0.000 2.439 112 I HA 0.255 4.425 4.170 -0.001 0.000 0.283 112 I C -2.271 173.758 176.117 -0.147 0.000 1.023 112 I CA -2.789 58.367 61.300 -0.240 0.000 1.100 112 I CB 1.857 39.582 38.000 -0.458 0.000 1.238 112 I HN 0.504 nan 8.210 nan 0.000 0.445 113 P HA 0.043 nan 4.420 nan 0.000 0.267 113 P C -0.130 177.151 177.300 -0.031 0.000 1.200 113 P CA -0.147 62.926 63.100 -0.045 0.000 0.772 113 P CB 0.581 32.269 31.700 -0.020 0.000 0.855 114 A N 2.804 125.613 122.820 -0.019 0.000 2.520 114 A HA 0.385 4.704 4.320 -0.001 0.000 0.235 114 A C 1.587 179.182 177.584 0.018 0.000 1.065 114 A CA 0.620 52.657 52.037 0.001 0.000 0.764 114 A CB -1.389 17.610 19.000 -0.003 0.000 1.002 114 A HN 0.901 nan 8.150 nan 0.000 0.502 115 G N 1.380 110.205 108.800 0.041 0.000 2.212 115 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.267 115 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.267 115 G C 0.394 175.326 174.900 0.053 0.000 1.002 115 G CA 0.867 45.988 45.100 0.036 0.000 0.729 115 G HN 1.219 nan 8.290 nan 0.000 0.517 116 T N 1.538 116.146 114.554 0.089 0.000 2.806 116 T HA 0.530 4.879 4.350 -0.001 0.000 0.290 116 T C 0.880 175.702 174.700 0.203 0.000 0.966 116 T CA -0.534 61.632 62.100 0.109 0.000 1.060 116 T CB 1.386 70.301 68.868 0.078 0.000 0.927 116 T HN 0.158 nan 8.240 nan 0.000 0.485 117 I N 5.321 125.979 120.570 0.147 0.000 2.556 117 I HA 0.268 4.437 4.170 -0.001 0.000 0.284 117 I C -0.085 176.155 176.117 0.206 0.000 1.114 117 I CA 0.063 61.445 61.300 0.136 0.000 1.418 117 I CB -0.349 37.710 38.000 0.098 0.000 1.394 117 I HN 0.640 nan 8.210 nan 0.000 0.552 118 F N 7.436 127.390 119.950 0.005 0.000 2.619 118 F HA 0.678 5.204 4.527 -0.001 0.000 0.308 118 F C -1.342 174.482 175.800 0.039 0.000 1.097 118 F CA -1.294 56.682 58.000 -0.041 0.000 0.953 118 F CB 1.274 40.229 39.000 -0.076 0.000 1.287 118 F HN 0.363 nan 8.300 nan 0.000 0.446 119 Y N 1.830 122.145 120.300 0.024 0.000 2.576 119 Y HA 0.889 5.439 4.550 -0.001 0.000 0.346 119 Y C -2.204 173.730 175.900 0.057 0.000 1.018 119 Y CA -1.855 56.209 58.100 -0.061 0.000 1.050 119 Y CB 1.689 40.108 38.460 -0.067 0.000 1.280 119 Y HN 0.913 nan 8.280 nan 0.000 0.474 120 L N 2.312 123.651 121.223 0.193 0.000 2.401 120 L HA 0.855 5.195 4.340 -0.001 0.000 0.266 120 L C -1.520 175.434 176.870 0.140 0.000 0.991 120 L CA -0.779 54.128 54.840 0.112 0.000 0.818 120 L CB 2.385 44.450 42.059 0.010 0.000 1.321 120 L HN 0.716 nan 8.230 nan 0.000 0.413 121 V N 3.397 123.378 119.914 0.112 0.000 2.709 121 V HA 0.439 4.558 4.120 -0.001 0.000 0.308 121 V C -0.603 175.533 176.094 0.070 0.000 1.062 121 V CA -0.800 61.566 62.300 0.110 0.000 0.901 121 V CB 1.993 33.890 31.823 0.123 0.000 1.003 121 V HN 0.806 nan 8.190 nan 0.000 0.425 122 N N 5.833 124.583 118.700 0.083 0.000 2.609 122 N HA 0.297 5.037 4.740 -0.001 0.000 0.234 122 N C -1.861 173.679 175.510 0.050 0.000 1.001 122 N CA -1.711 51.372 53.050 0.055 0.000 0.926 122 N CB 2.092 40.627 38.487 0.081 0.000 1.130 122 N HN 0.418 nan 8.380 nan 0.000 0.510 123 P HA -0.022 nan 4.420 nan 0.000 0.241 123 P C -0.086 177.261 177.300 0.078 0.000 1.191 123 P CA 0.388 63.533 63.100 0.075 0.000 0.771 123 P CB 0.330 32.102 31.700 0.120 0.000 0.929 124 D N 1.814 122.252 120.400 0.064 0.000 2.414 124 D HA 0.028 4.667 4.640 -0.001 0.000 0.242 124 D C -1.331 175.004 176.300 0.058 0.000 1.129 124 D CA -1.347 52.692 54.000 0.065 0.000 0.885 124 D CB 1.703 42.535 40.800 0.054 0.000 1.198 124 D HN 0.102 nan 8.370 nan 0.000 0.437 125 P HA 0.104 nan 4.420 nan 0.000 0.261 125 P C 0.244 177.571 177.300 0.044 0.000 1.268 125 P CA 0.397 63.526 63.100 0.049 0.000 0.833 125 P CB 0.795 32.522 31.700 0.046 0.000 1.231 126 K N -1.266 119.159 120.400 0.043 0.000 2.550 126 K HA 0.171 4.490 4.320 -0.001 0.000 0.205 126 K C 0.572 177.191 176.600 0.032 0.000 1.429 126 K CA -0.029 56.279 56.287 0.036 0.000 0.997 126 K CB 0.755 33.275 32.500 0.033 0.000 1.328 126 K HN 0.028 nan 8.250 nan 0.000 0.546 127 E N 1.899 122.120 120.200 0.034 0.000 2.277 127 E HA 0.138 4.487 4.350 -0.001 0.000 0.274 127 E C -0.957 175.656 176.600 0.022 0.000 1.022 127 E CA -0.208 56.208 56.400 0.026 0.000 0.853 127 E CB 1.357 31.075 29.700 0.029 0.000 1.086 127 E HN 0.030 nan 8.360 nan 0.000 0.397 128 D N 1.009 121.414 120.400 0.009 0.000 2.354 128 D HA 0.276 4.916 4.640 -0.001 0.000 0.247 128 D C -0.419 175.875 176.300 -0.009 0.000 1.138 128 D CA -0.286 53.710 54.000 -0.006 0.000 0.958 128 D CB 0.866 41.651 40.800 -0.025 0.000 1.144 128 D HN 0.110 nan 8.370 nan 0.000 0.458 129 L N 1.479 122.687 121.223 -0.025 0.000 2.296 129 L HA 0.468 4.807 4.340 -0.001 0.000 0.286 129 L C -0.549 176.297 176.870 -0.040 0.000 1.023 129 L CA -0.564 54.278 54.840 0.005 0.000 0.812 129 L CB 0.585 42.696 42.059 0.087 0.000 1.223 129 L HN 0.226 nan 8.230 nan 0.000 0.421 130 R N 5.726 126.225 120.500 -0.000 0.000 2.439 130 R HA 0.641 4.981 4.340 -0.001 0.000 0.310 130 R C -1.228 175.114 176.300 0.070 0.000 0.955 130 R CA -0.568 55.526 56.100 -0.010 0.000 0.853 130 R CB 2.335 32.626 30.300 -0.016 0.000 1.171 130 R HN 0.533 nan 8.270 nan 0.000 0.449 131 I N 3.338 123.985 120.570 0.128 0.000 2.608 131 I HA 0.431 4.601 4.170 -0.001 0.000 0.295 131 I C -1.054 175.177 176.117 0.191 0.000 1.049 131 I CA -1.124 60.288 61.300 0.187 0.000 1.063 131 I CB 2.297 40.465 38.000 0.279 0.000 1.248 131 I HN 0.442 nan 8.210 nan 0.000 0.424 132 I N 5.897 126.596 120.570 0.216 0.000 2.545 132 I HA 0.419 4.589 4.170 -0.001 0.000 0.292 132 I C -1.188 175.146 176.117 0.362 0.000 1.040 132 I CA 0.025 61.503 61.300 0.296 0.000 1.068 132 I CB 1.758 39.947 38.000 0.315 0.000 1.251 132 I HN 0.653 nan 8.210 nan 0.000 0.424 133 Q N 6.353 126.338 119.800 0.308 0.000 2.340 133 Q HA 0.515 4.855 4.340 -0.001 0.000 0.276 133 Q C -1.966 173.965 176.000 -0.115 0.000 1.048 133 Q CA -1.023 54.871 55.803 0.153 0.000 0.832 133 Q CB 2.306 31.096 28.738 0.087 0.000 1.373 133 Q HN 0.589 nan 8.270 nan 0.000 0.409 134 L N 2.045 122.980 121.223 -0.481 0.000 2.305 134 L HA 0.792 5.132 4.340 -0.001 0.000 0.281 134 L C -1.088 175.661 176.870 -0.201 0.000 1.085 134 L CA 0.059 54.556 54.840 -0.572 0.000 0.813 134 L CB 1.317 42.795 42.059 -0.970 0.000 1.157 134 L HN 0.866 nan 8.230 nan 0.000 0.436 135 A N 5.511 128.279 122.820 -0.086 0.000 2.365 135 A HA 0.842 5.162 4.320 -0.001 0.000 0.318 135 A C -0.952 176.609 177.584 -0.039 0.000 1.091 135 A CA -0.626 51.384 52.037 -0.045 0.000 0.763 135 A CB 1.232 20.216 19.000 -0.026 0.000 1.248 135 A HN 0.650 nan 8.150 nan 0.000 0.442 136 M N 4.032 123.582 119.600 -0.083 0.000 1.987 136 M HA 0.307 4.786 4.480 -0.001 0.000 0.298 136 M C -2.593 173.629 176.300 -0.129 0.000 0.892 136 M CA -1.825 53.367 55.300 -0.181 0.000 0.885 136 M CB 1.612 34.086 32.600 -0.209 0.000 1.469 136 M HN 0.389 nan 8.290 nan 0.000 0.389 137 P HA 0.064 nan 4.420 nan 0.000 0.268 137 P C 0.534 177.801 177.300 -0.054 0.000 1.205 137 P CA -0.123 62.941 63.100 -0.061 0.000 0.771 137 P CB 1.305 32.968 31.700 -0.061 0.000 0.858 138 V N 2.610 122.515 119.914 -0.014 0.000 2.535 138 V HA -0.114 4.006 4.120 -0.001 0.000 0.246 138 V C 2.163 178.257 176.094 0.000 0.000 1.045 138 V CA 1.561 63.852 62.300 -0.014 0.000 1.058 138 V CB -0.892 30.930 31.823 -0.002 0.000 0.689 138 V HN 0.535 nan 8.190 nan 0.000 0.461 139 N N 1.062 119.783 118.700 0.036 0.000 2.290 139 N HA 0.017 4.756 4.740 -0.001 0.000 0.179 139 N C 0.429 175.961 175.510 0.036 0.000 1.016 139 N CA 1.117 54.192 53.050 0.042 0.000 0.871 139 N CB 0.085 38.618 38.487 0.076 0.000 0.987 139 N HN 0.754 nan 8.380 nan 0.000 0.431 140 N N -1.907 116.817 118.700 0.041 0.000 3.395 140 N HA 0.191 4.930 4.740 -0.001 0.000 0.293 140 N C -2.813 172.697 175.510 -0.000 0.000 1.489 140 N CA -0.879 52.185 53.050 0.024 0.000 0.871 140 N CB 0.576 39.092 38.487 0.048 0.000 1.649 140 N HN -0.366 nan 8.380 nan 0.000 0.501 141 P HA -0.034 nan 4.420 nan 0.000 0.221 141 P C -0.371 176.882 177.300 -0.079 0.000 1.145 141 P CA 1.312 64.387 63.100 -0.042 0.000 0.795 141 P CB 0.138 31.820 31.700 -0.031 0.000 0.775 142 Q N -0.291 119.453 119.800 -0.093 0.000 2.368 142 Q HA 0.356 4.696 4.340 -0.001 0.000 0.237 142 Q C 0.058 175.833 176.000 -0.374 0.000 0.987 142 Q CA -0.165 55.496 55.803 -0.237 0.000 0.896 142 Q CB 0.144 28.716 28.738 -0.278 0.000 1.241 142 Q HN 0.125 nan 8.270 nan 0.000 0.485 143 I N 0.397 120.715 120.570 -0.420 0.000 2.378 143 I HA 0.364 4.534 4.170 -0.001 0.000 0.291 143 I C -1.255 174.591 176.117 -0.452 0.000 0.992 143 I CA -0.531 60.581 61.300 -0.313 0.000 1.154 143 I CB 0.937 38.863 38.000 -0.123 0.000 1.315 143 I HN 0.562 nan 8.210 nan 0.000 0.448 144 H N 5.349 124.420 119.070 0.001 0.000 2.511 144 H HA 0.471 5.027 4.556 -0.001 0.000 0.328 144 H C -1.104 174.187 175.328 -0.062 0.000 1.044 144 H CA -0.649 55.356 56.048 -0.071 0.000 1.212 144 H CB 1.309 31.034 29.762 -0.061 0.000 1.428 144 H HN 0.553 nan 8.280 nan 0.000 0.483 145 E N 3.290 123.460 120.200 -0.050 0.000 2.133 145 E HA 0.211 4.561 4.350 -0.001 0.000 0.274 145 E C -0.936 175.557 176.600 -0.179 0.000 0.930 145 E CA -0.593 55.772 56.400 -0.059 0.000 0.770 145 E CB 1.378 31.069 29.700 -0.017 0.000 1.104 145 E HN 0.392 nan 8.360 nan 0.000 0.403 146 F N 2.871 122.780 119.950 -0.068 0.000 2.361 146 F HA 0.321 4.848 4.527 -0.001 0.000 0.364 146 F C -0.197 175.629 175.800 0.043 0.000 1.120 146 F CA -0.611 57.416 58.000 0.046 0.000 1.102 146 F CB 0.480 39.411 39.000 -0.115 0.000 1.183 146 F HN 0.396 nan 8.300 nan 0.000 0.476 147 F N 3.949 124.096 119.950 0.328 0.000 2.404 147 F HA 0.263 4.789 4.527 -0.001 0.000 0.345 147 F C 1.122 176.978 175.800 0.094 0.000 1.110 147 F CA -0.281 57.808 58.000 0.149 0.000 1.130 147 F CB 1.219 40.225 39.000 0.010 0.000 1.129 147 F HN 0.456 nan 8.300 nan 0.000 0.500 148 L N 1.701 122.983 121.223 0.100 0.000 2.179 148 L HA -0.016 4.323 4.340 -0.001 0.000 0.208 148 L C 1.201 178.037 176.870 -0.056 0.000 1.096 148 L CA 0.304 55.047 54.840 -0.161 0.000 0.779 148 L CB -0.152 41.849 42.059 -0.097 0.000 0.922 148 L HN 0.705 nan 8.230 nan 0.000 0.443 149 S N -1.138 114.596 115.700 0.057 0.000 2.576 149 S HA 0.028 4.497 4.470 -0.001 0.000 0.272 149 S C 0.185 174.802 174.600 0.029 0.000 1.352 149 S CA -0.471 57.749 58.200 0.033 0.000 1.021 149 S CB 1.389 64.599 63.200 0.017 0.000 0.887 149 S HN 0.149 nan 8.310 nan 0.000 0.542 150 S N 1.352 117.073 115.700 0.035 0.000 2.640 150 S HA 0.684 5.154 4.470 -0.001 0.000 0.320 150 S C -0.311 174.300 174.600 0.018 0.000 1.097 150 S CA -0.499 57.729 58.200 0.048 0.000 1.092 150 S CB 0.356 63.653 63.200 0.160 0.000 0.988 150 S HN 1.078 nan 8.310 nan 0.000 0.470 151 T N 0.859 115.407 114.554 -0.009 0.000 2.838 151 T HA 0.477 4.827 4.350 -0.001 0.000 0.292 151 T C 0.674 175.377 174.700 0.005 0.000 1.113 151 T CA -0.839 61.255 62.100 -0.010 0.000 1.008 151 T CB 1.009 69.849 68.868 -0.046 0.000 1.259 151 T HN 0.386 nan 8.240 nan 0.000 0.520 152 E N 0.161 120.375 120.200 0.023 0.000 2.265 152 E HA -0.066 4.284 4.350 -0.001 0.000 0.196 152 E C 1.966 178.587 176.600 0.036 0.000 0.996 152 E CA 1.095 57.514 56.400 0.031 0.000 0.832 152 E CB -0.223 29.501 29.700 0.039 0.000 0.756 152 E HN 0.720 nan 8.360 nan 0.000 0.491 153 A N 0.779 123.629 122.820 0.050 0.000 2.178 153 A HA -0.011 4.308 4.320 -0.001 0.000 0.211 153 A C 0.563 178.164 177.584 0.028 0.000 1.157 153 A CA 0.302 52.385 52.037 0.077 0.000 0.780 153 A CB 0.137 19.265 19.000 0.213 0.000 0.828 153 A HN 0.214 nan 8.150 nan 0.000 0.476 154 Q N -1.486 118.304 119.800 -0.016 0.000 2.479 154 Q HA 0.485 4.824 4.340 -0.001 0.000 0.276 154 Q C -1.312 174.669 176.000 -0.031 0.000 0.989 154 Q CA -0.629 55.155 55.803 -0.031 0.000 0.864 154 Q CB 0.399 29.095 28.738 -0.071 0.000 1.444 154 Q HN 0.273 nan 8.270 nan 0.000 0.388 155 Q N 0.576 120.359 119.800 -0.029 0.000 2.260 155 Q HA 0.583 4.923 4.340 -0.001 0.000 0.238 155 Q C -0.500 175.481 176.000 -0.031 0.000 0.948 155 Q CA -0.765 55.000 55.803 -0.063 0.000 0.895 155 Q CB 1.794 30.473 28.738 -0.098 0.000 1.218 155 Q HN 0.731 nan 8.270 nan 0.000 0.470 156 S N 0.296 115.951 115.700 -0.075 0.000 2.565 156 S HA 0.059 4.529 4.470 -0.001 0.000 0.274 156 S C 0.824 175.426 174.600 0.004 0.000 1.309 156 S CA -0.463 57.715 58.200 -0.036 0.000 1.043 156 S CB 0.290 63.495 63.200 0.008 0.000 0.939 156 S HN 0.617 nan 8.310 nan 0.000 0.504 157 Y N 3.780 124.166 120.300 0.144 0.000 2.315 157 Y HA -0.051 4.498 4.550 -0.001 0.000 0.288 157 Y C 1.473 177.456 175.900 0.139 0.000 1.154 157 Y CA 1.037 59.218 58.100 0.135 0.000 1.229 157 Y CB -0.948 37.661 38.460 0.248 0.000 0.980 157 Y HN 0.551 nan 8.280 nan 0.000 0.540 158 L N 0.477 121.859 121.223 0.265 0.000 2.131 158 L HA -0.222 4.117 4.340 -0.001 0.000 0.210 158 L C 2.278 179.387 176.870 0.397 0.000 1.092 158 L CA 1.505 56.653 54.840 0.513 0.000 0.759 158 L CB -0.645 41.722 42.059 0.513 0.000 0.903 158 L HN 0.333 nan 8.230 nan 0.000 0.435 159 Q N -0.326 119.471 119.800 -0.006 0.000 2.515 159 Q HA -0.099 4.241 4.340 -0.001 0.000 0.212 159 Q C 1.074 177.030 176.000 -0.073 0.000 0.970 159 Q CA 0.423 56.081 55.803 -0.242 0.000 0.941 159 Q CB 0.137 28.516 28.738 -0.599 0.000 0.998 159 Q HN 0.429 nan 8.270 nan 0.000 0.518 160 E N -0.245 119.927 120.200 -0.047 0.000 2.474 160 E HA 0.081 4.430 4.350 -0.001 0.000 0.195 160 E C -0.458 176.034 176.600 -0.180 0.000 1.039 160 E CA 0.126 56.442 56.400 -0.140 0.000 0.881 160 E CB 0.297 29.875 29.700 -0.202 0.000 0.970 160 E HN 0.168 nan 8.360 nan 0.000 0.486 161 F N 1.600 121.593 119.950 0.071 0.000 2.397 161 F HA 0.146 4.673 4.527 -0.001 0.000 0.331 161 F C 1.294 177.127 175.800 0.055 0.000 1.090 161 F CA -1.014 57.025 58.000 0.065 0.000 1.065 161 F CB 0.880 39.930 39.000 0.084 0.000 1.184 161 F HN -0.272 nan 8.300 nan 0.000 0.499 162 S N 1.925 117.774 115.700 0.248 0.000 2.579 162 S HA 0.093 4.562 4.470 -0.001 0.000 0.275 162 S C 1.284 175.969 174.600 0.141 0.000 1.345 162 S CA -0.650 57.636 58.200 0.143 0.000 1.031 162 S CB 0.921 64.189 63.200 0.114 0.000 0.892 162 S HN 0.840 nan 8.310 nan 0.000 0.529 163 K N 0.959 121.413 120.400 0.091 0.000 2.059 163 K HA -0.306 4.013 4.320 -0.001 0.000 0.212 163 K C 2.045 178.741 176.600 0.161 0.000 1.050 163 K CA 2.112 58.450 56.287 0.086 0.000 0.927 163 K CB -0.550 31.906 32.500 -0.073 0.000 0.714 163 K HN 0.937 nan 8.250 nan 0.000 0.447 164 H N -0.490 118.608 119.070 0.046 0.000 2.423 164 H HA -0.087 4.468 4.556 -0.001 0.000 0.297 164 H C 1.983 177.332 175.328 0.034 0.000 1.075 164 H CA 1.227 57.302 56.048 0.045 0.000 1.342 164 H CB 0.244 30.022 29.762 0.027 0.000 1.395 164 H HN 0.172 nan 8.280 nan 0.000 0.530 165 I N 0.554 121.049 120.570 -0.125 0.000 2.252 165 I HA -0.232 3.938 4.170 -0.001 0.000 0.245 165 I C 2.258 178.262 176.117 -0.188 0.000 1.102 165 I CA 0.541 61.704 61.300 -0.227 0.000 1.385 165 I CB -0.396 37.542 38.000 -0.103 0.000 1.064 165 I HN 0.253 nan 8.210 nan 0.000 0.414 166 L N 0.089 121.302 121.223 -0.017 0.000 2.005 166 L HA -0.167 4.173 4.340 -0.001 0.000 0.207 166 L C 2.454 179.394 176.870 0.117 0.000 1.072 166 L CA 1.724 56.613 54.840 0.081 0.000 0.744 166 L CB -1.047 41.189 42.059 0.295 0.000 0.895 166 L HN 0.296 nan 8.230 nan 0.000 0.433 167 E N -0.866 119.427 120.200 0.155 0.000 2.058 167 E HA -0.245 4.104 4.350 -0.001 0.000 0.194 167 E C 2.184 178.832 176.600 0.081 0.000 0.997 167 E CA 1.256 57.760 56.400 0.173 0.000 0.801 167 E CB -0.203 29.626 29.700 0.215 0.000 0.746 167 E HN 0.515 nan 8.360 nan 0.000 0.450 168 A N 1.006 123.818 122.820 -0.013 0.000 1.877 168 A HA -0.197 4.123 4.320 -0.001 0.000 0.216 168 A C 2.376 179.872 177.584 -0.148 0.000 1.186 168 A CA 1.801 53.788 52.037 -0.083 0.000 0.620 168 A CB -0.570 18.297 19.000 -0.221 0.000 0.822 168 A HN 0.141 nan 8.150 nan 0.000 0.443 169 S N -0.519 115.014 115.700 -0.278 0.000 2.353 169 S HA -0.138 4.332 4.470 -0.001 0.000 0.222 169 S C 1.532 175.874 174.600 -0.429 0.000 1.035 169 S CA 1.786 59.715 58.200 -0.452 0.000 1.025 169 S CB -0.530 62.214 63.200 -0.760 0.000 0.902 169 S HN 0.535 nan 8.310 nan 0.000 0.440 170 F N 1.199 121.127 119.950 -0.038 0.000 2.615 170 F HA 0.270 4.796 4.527 -0.001 0.000 0.297 170 F C 1.112 176.901 175.800 -0.019 0.000 1.124 170 F CA 0.053 58.035 58.000 -0.030 0.000 1.451 170 F CB -0.852 38.130 39.000 -0.031 0.000 1.103 170 F HN 0.128 nan 8.300 nan 0.000 0.569 171 N N 0.622 119.393 118.700 0.119 0.000 2.753 171 N HA -0.214 4.526 4.740 -0.001 0.000 0.252 171 N C -1.352 174.216 175.510 0.096 0.000 1.071 171 N CA 0.685 53.785 53.050 0.083 0.000 0.690 171 N CB -1.136 37.384 38.487 0.055 0.000 0.906 171 N HN 0.102 nan 8.380 nan 0.000 0.552 172 S N -0.016 115.754 115.700 0.117 0.000 2.537 172 S HA 0.392 4.861 4.470 -0.001 0.000 0.271 172 S C -0.938 173.722 174.600 0.099 0.000 1.148 172 S CA -1.074 57.176 58.200 0.083 0.000 0.868 172 S CB 1.446 64.681 63.200 0.059 0.000 1.115 172 S HN 0.200 nan 8.310 nan 0.000 0.461 173 K N 1.574 122.008 120.400 0.057 0.000 2.355 173 K HA 0.173 4.492 4.320 -0.001 0.000 0.270 173 K C 1.182 177.827 176.600 0.074 0.000 1.003 173 K CA -0.511 55.819 56.287 0.072 0.000 0.957 173 K CB -0.138 32.364 32.500 0.004 0.000 0.939 173 K HN 0.747 nan 8.250 nan 0.000 0.482 174 F N 1.446 121.441 119.950 0.074 0.000 2.192 174 F HA -0.202 4.324 4.527 -0.001 0.000 0.301 174 F C 1.279 177.113 175.800 0.057 0.000 1.079 174 F CA 1.418 59.470 58.000 0.087 0.000 1.303 174 F CB -0.156 38.909 39.000 0.109 0.000 1.024 174 F HN 0.615 nan 8.300 nan 0.000 0.494 175 E N 0.783 120.497 120.200 -0.810 0.000 2.106 175 E HA -0.158 4.192 4.350 -0.001 0.000 0.192 175 E C 2.040 178.470 176.600 -0.284 0.000 0.984 175 E CA 1.628 57.626 56.400 -0.670 0.000 0.806 175 E CB -0.290 29.052 29.700 -0.597 0.000 0.750 175 E HN 0.648 nan 8.360 nan 0.000 0.458 176 E N 0.665 120.750 120.200 -0.193 0.000 2.031 176 E HA -0.177 4.172 4.350 -0.001 0.000 0.193 176 E C 2.180 178.685 176.600 -0.159 0.000 0.994 176 E CA 1.112 57.428 56.400 -0.140 0.000 0.800 176 E CB -0.252 29.388 29.700 -0.100 0.000 0.752 176 E HN 0.266 nan 8.360 nan 0.000 0.447 177 I N 1.573 122.058 120.570 -0.142 0.000 2.194 177 I HA -0.316 3.854 4.170 -0.001 0.000 0.246 177 I C 2.428 178.374 176.117 -0.285 0.000 1.093 177 I CA 1.362 62.528 61.300 -0.224 0.000 1.355 177 I CB -0.464 37.479 38.000 -0.095 0.000 1.046 177 I HN 0.132 nan 8.210 nan 0.000 0.413 178 N N 1.004 119.644 118.700 -0.100 0.000 2.120 178 N HA -0.216 4.523 4.740 -0.001 0.000 0.188 178 N C 2.013 177.483 175.510 -0.066 0.000 1.024 178 N CA 1.331 54.386 53.050 0.008 0.000 0.852 178 N CB -0.093 38.475 38.487 0.135 0.000 1.003 178 N HN 0.107 nan 8.380 nan 0.000 0.424 179 R N -0.636 119.802 120.500 -0.103 0.000 2.092 179 R HA -0.003 4.336 4.340 -0.001 0.000 0.231 179 R C 1.609 177.836 176.300 -0.121 0.000 1.119 179 R CA 1.128 57.173 56.100 -0.092 0.000 0.970 179 R CB 0.029 30.268 30.300 -0.100 0.000 0.864 179 R HN 0.128 nan 8.270 nan 0.000 0.440 180 V N -0.200 119.601 119.914 -0.188 0.000 2.500 180 V HA -0.092 4.028 4.120 -0.001 0.000 0.243 180 V C 1.570 177.509 176.094 -0.258 0.000 1.039 180 V CA 0.992 63.168 62.300 -0.208 0.000 1.053 180 V CB -0.044 31.637 31.823 -0.236 0.000 0.695 180 V HN 0.182 nan 8.190 nan 0.000 0.463 181 L N -1.665 119.299 121.223 -0.431 0.000 2.316 181 L HA 0.281 4.621 4.340 -0.001 0.000 0.207 181 L C 1.761 178.481 176.870 -0.250 0.000 1.070 181 L CA 1.574 56.089 54.840 -0.541 0.000 0.820 181 L CB -0.556 40.857 42.059 -1.078 0.000 0.992 181 L HN 0.260 nan 8.230 nan 0.000 0.466 182 F N -1.090 118.846 119.950 -0.023 0.000 2.727 182 F HA 0.268 4.795 4.527 -0.001 0.000 0.302 182 F C 1.141 176.945 175.800 0.006 0.000 1.107 182 F CA -1.314 56.687 58.000 0.002 0.000 1.277 182 F CB -0.612 38.408 39.000 0.034 0.000 1.079 182 F HN -0.038 nan 8.300 nan 0.000 0.594 183 E N 2.366 122.655 120.200 0.149 0.000 2.966 183 E HA -0.181 4.168 4.350 -0.001 0.000 0.254 183 E C 1.030 177.675 176.600 0.076 0.000 0.923 183 E CA 0.125 56.578 56.400 0.089 0.000 0.960 183 E CB 0.502 30.220 29.700 0.029 0.000 0.901 183 E HN 0.409 nan 8.360 nan 0.000 0.525 184 E N 3.480 123.722 120.200 0.070 0.000 2.065 184 E HA -0.249 4.101 4.350 -0.001 0.000 0.201 184 E C 0.353 176.974 176.600 0.036 0.000 1.016 184 E CA 1.506 57.937 56.400 0.051 0.000 0.818 184 E CB 0.050 29.776 29.700 0.044 0.000 0.749 184 E HN 0.576 nan 8.360 nan 0.000 0.453 185 E N -1.031 119.186 120.200 0.028 0.000 1.939 185 E HA 0.044 4.394 4.350 -0.001 0.000 0.259 185 E C 0.209 176.816 176.600 0.012 0.000 1.259 185 E CA 0.525 56.936 56.400 0.018 0.000 0.971 185 E CB -0.296 29.412 29.700 0.013 0.000 1.055 185 E HN 0.401 nan 8.360 nan 0.000 0.420 186 G N 3.691 112.499 108.800 0.013 0.000 2.977 186 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.211 186 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.211 186 G C -0.128 174.776 174.900 0.007 0.000 0.994 186 G CA -0.105 44.998 45.100 0.005 0.000 0.795 186 G HN 0.594 nan 8.290 nan 0.000 0.518 187 Q N 1.480 121.291 119.800 0.018 0.000 2.352 187 Q HA 0.551 4.891 4.340 -0.001 0.000 0.260 187 Q C -0.178 175.831 176.000 0.014 0.000 0.976 187 Q CA -0.210 55.605 55.803 0.019 0.000 0.881 187 Q CB 0.900 29.658 28.738 0.032 0.000 1.235 187 Q HN 0.269 nan 8.270 nan 0.000 0.419 188 Q N 1.831 121.633 119.800 0.004 0.000 2.584 188 Q HA -0.015 4.324 4.340 -0.001 0.000 0.218 188 Q C 0.790 176.806 176.000 0.026 0.000 1.079 188 Q CA 0.329 56.137 55.803 0.008 0.000 1.008 188 Q CB 0.429 29.158 28.738 -0.014 0.000 1.267 188 Q HN 0.784 nan 8.270 nan 0.000 0.586 189 E N -0.259 119.974 120.200 0.055 0.000 2.112 189 E HA 0.043 4.392 4.350 -0.001 0.000 0.190 189 E C 0.686 177.349 176.600 0.107 0.000 0.979 189 E CA 0.773 57.222 56.400 0.083 0.000 0.814 189 E CB 0.249 30.016 29.700 0.113 0.000 0.762 189 E HN 0.651 nan 8.360 nan 0.000 0.460 190 G N -0.263 108.596 108.800 0.098 0.000 2.682 190 G HA2 0.250 4.210 3.960 -0.001 0.000 0.303 190 G HA3 0.250 4.210 3.960 -0.001 0.000 0.303 190 G C 0.389 175.167 174.900 -0.204 0.000 1.341 190 G CA -0.136 44.995 45.100 0.052 0.000 0.784 190 G HN 0.039 nan 8.290 nan 0.000 0.497 191 V N -1.556 117.943 119.914 -0.691 0.000 3.141 191 V HA 0.322 4.441 4.120 -0.001 0.000 0.265 191 V C 0.674 176.583 176.094 -0.308 0.000 1.126 191 V CA 0.502 62.410 62.300 -0.654 0.000 1.141 191 V CB -0.750 30.374 31.823 -1.164 0.000 0.743 191 V HN 0.408 nan 8.190 nan 0.000 0.492 192 I N 1.312 121.805 120.570 -0.127 0.000 2.336 192 I HA 0.535 4.705 4.170 -0.001 0.000 0.292 192 I C -0.505 175.625 176.117 0.023 0.000 0.991 192 I CA -0.396 60.964 61.300 0.099 0.000 1.227 192 I CB 1.461 39.661 38.000 0.334 0.000 1.366 192 I HN -0.030 nan 8.210 nan 0.000 0.466 193 V N 5.688 125.550 119.914 -0.087 0.000 2.735 193 V HA 0.299 4.419 4.120 -0.001 0.000 0.310 193 V C 0.090 175.951 176.094 -0.387 0.000 1.061 193 V CA -0.947 61.216 62.300 -0.229 0.000 0.913 193 V CB 2.413 34.158 31.823 -0.130 0.000 1.005 193 V HN 0.755 nan 8.190 nan 0.000 0.428 194 N N 3.684 122.015 118.700 -0.615 0.000 2.411 194 N HA 0.515 5.254 4.740 -0.001 0.000 0.259 194 N C -0.463 174.924 175.510 -0.206 0.000 1.103 194 N CA -0.443 52.302 53.050 -0.509 0.000 0.954 194 N CB 0.609 38.765 38.487 -0.552 0.000 1.085 194 N HN 0.756 nan 8.380 nan 0.000 0.485 195 I N -0.420 120.079 120.570 -0.117 0.000 2.863 195 I HA 0.542 4.712 4.170 -0.001 0.000 0.311 195 I C -0.627 175.478 176.117 -0.021 0.000 1.026 195 I CA -1.081 60.186 61.300 -0.055 0.000 1.077 195 I CB 1.788 39.768 38.000 -0.032 0.000 1.262 195 I HN 0.336 nan 8.210 nan 0.000 0.461 196 D N 2.091 122.486 120.400 -0.007 0.000 2.264 196 D HA 0.207 4.847 4.640 -0.001 0.000 0.250 196 D C 1.244 177.555 176.300 0.018 0.000 1.113 196 D CA 0.095 54.099 54.000 0.007 0.000 0.871 196 D CB 1.710 42.513 40.800 0.006 0.000 1.167 196 D HN 0.692 nan 8.370 nan 0.000 0.447 197 S N 2.964 118.678 115.700 0.024 0.000 2.399 197 S HA -0.372 4.097 4.470 -0.001 0.000 0.235 197 S C 1.719 176.337 174.600 0.031 0.000 1.063 197 S CA 1.544 59.763 58.200 0.031 0.000 1.070 197 S CB -0.481 62.737 63.200 0.031 0.000 0.904 197 S HN 0.663 nan 8.310 nan 0.000 0.456 198 E N 1.654 121.869 120.200 0.024 0.000 2.153 198 E HA -0.173 4.176 4.350 -0.001 0.000 0.194 198 E C 2.201 178.817 176.600 0.026 0.000 0.988 198 E CA 1.583 57.996 56.400 0.022 0.000 0.811 198 E CB -0.575 29.134 29.700 0.016 0.000 0.746 198 E HN 0.761 nan 8.360 nan 0.000 0.466 199 Q N 0.381 120.196 119.800 0.026 0.000 2.020 199 Q HA -0.141 4.199 4.340 -0.001 0.000 0.202 199 Q C 2.200 178.230 176.000 0.049 0.000 0.982 199 Q CA 2.054 57.876 55.803 0.032 0.000 0.838 199 Q CB -0.338 28.415 28.738 0.026 0.000 0.899 199 Q HN 0.638 nan 8.270 nan 0.000 0.423 200 I N -1.943 118.661 120.570 0.055 0.000 3.334 200 I HA -0.057 4.113 4.170 -0.001 0.000 0.282 200 I C 1.918 178.077 176.117 0.071 0.000 1.313 200 I CA 0.600 61.945 61.300 0.075 0.000 1.396 200 I CB -0.229 37.820 38.000 0.081 0.000 1.054 200 I HN 0.094 nan 8.210 nan 0.000 0.495 201 K N 2.430 122.861 120.400 0.051 0.000 1.984 201 K HA -0.200 4.119 4.320 -0.001 0.000 0.209 201 K C 2.138 178.759 176.600 0.034 0.000 1.046 201 K CA 2.285 58.596 56.287 0.040 0.000 0.934 201 K CB -0.063 32.453 32.500 0.027 0.000 0.717 201 K HN 0.680 nan 8.250 nan 0.000 0.438 202 E N 0.612 120.832 120.200 0.033 0.000 2.274 202 E HA -0.165 4.184 4.350 -0.001 0.000 0.194 202 E C 2.156 178.784 176.600 0.047 0.000 0.996 202 E CA 0.562 56.978 56.400 0.026 0.000 0.840 202 E CB -0.242 29.468 29.700 0.017 0.000 0.772 202 E HN 0.280 nan 8.360 nan 0.000 0.491 203 L N 1.071 122.336 121.223 0.070 0.000 2.056 203 L HA -0.148 4.191 4.340 -0.001 0.000 0.207 203 L C 2.387 179.305 176.870 0.080 0.000 1.078 203 L CA 1.275 56.168 54.840 0.088 0.000 0.749 203 L CB -0.243 41.896 42.059 0.132 0.000 0.901 203 L HN 0.199 nan 8.230 nan 0.000 0.433 204 S N -0.178 115.572 115.700 0.084 0.000 2.359 204 S HA -0.243 4.227 4.470 -0.001 0.000 0.223 204 S C 1.846 176.421 174.600 -0.041 0.000 1.039 204 S CA 1.474 59.709 58.200 0.059 0.000 1.042 204 S CB -0.139 63.089 63.200 0.045 0.000 0.915 204 S HN 0.345 nan 8.310 nan 0.000 0.439 205 K N 0.120 120.505 120.400 -0.024 0.000 1.987 205 K HA -0.204 4.115 4.320 -0.001 0.000 0.216 205 K C 2.223 178.822 176.600 -0.002 0.000 1.051 205 K CA 1.691 57.957 56.287 -0.036 0.000 0.942 205 K CB -0.514 31.970 32.500 -0.028 0.000 0.722 205 K HN 0.330 nan 8.250 nan 0.000 0.444 206 H N 0.858 119.848 119.070 -0.133 0.000 2.289 206 H HA -0.130 4.426 4.556 -0.001 0.000 0.296 206 H C 1.832 177.047 175.328 -0.188 0.000 1.091 206 H CA 2.111 58.033 56.048 -0.211 0.000 1.274 206 H CB -0.510 29.043 29.762 -0.348 0.000 1.364 206 H HN 0.269 nan 8.280 nan 0.000 0.490 207 A N 1.170 123.954 122.820 -0.061 0.000 1.865 207 A HA -0.203 4.117 4.320 -0.001 0.000 0.217 207 A C 2.437 180.029 177.584 0.013 0.000 1.191 207 A CA 2.115 54.147 52.037 -0.009 0.000 0.623 207 A CB -0.512 18.571 19.000 0.137 0.000 0.826 207 A HN 0.535 nan 8.150 nan 0.000 0.444 208 K N 0.147 120.484 120.400 -0.104 0.000 2.360 208 K HA -0.037 4.282 4.320 -0.001 0.000 0.201 208 K C 1.658 178.282 176.600 0.039 0.000 1.046 208 K CA 1.259 57.434 56.287 -0.187 0.000 0.945 208 K CB -0.105 32.164 32.500 -0.384 0.000 0.750 208 K HN 0.402 nan 8.250 nan 0.000 0.464 209 S N 0.184 115.907 115.700 0.039 0.000 2.575 209 S HA 0.083 4.552 4.470 -0.001 0.000 0.215 209 S C 0.275 174.921 174.600 0.078 0.000 0.966 209 S CA -0.169 58.066 58.200 0.060 0.000 0.911 209 S CB 0.362 63.580 63.200 0.031 0.000 0.780 209 S HN 0.137 nan 8.310 nan 0.000 0.514 221 T N 2.421 116.956 114.554 -0.032 0.000 2.875 221 T HA 0.705 5.054 4.350 -0.001 0.000 0.284 221 T C 0.046 174.699 174.700 -0.079 0.000 0.995 221 T CA -0.239 61.835 62.100 -0.043 0.000 1.060 221 T CB 0.562 69.408 68.868 -0.038 0.000 0.967 221 T HN 0.266 nan 8.240 nan 0.000 0.476 222 I N 1.576 122.084 120.570 -0.103 0.000 2.582 222 I HA 0.741 4.911 4.170 -0.001 0.000 0.292 222 I C 0.502 176.579 176.117 -0.067 0.000 1.066 222 I CA -0.548 60.642 61.300 -0.182 0.000 1.053 222 I CB 2.238 39.967 38.000 -0.453 0.000 1.241 222 I HN 0.876 nan 8.210 nan 0.000 0.421 223 G N 4.076 112.862 108.800 -0.024 0.000 2.333 223 G HA2 0.394 4.353 3.960 -0.001 0.000 0.288 223 G HA3 0.394 4.353 3.960 -0.001 0.000 0.288 223 G C -1.954 172.975 174.900 0.048 0.000 1.286 223 G CA -0.264 44.875 45.100 0.065 0.000 0.865 223 G HN 0.858 nan 8.290 nan 0.000 0.506 224 N N -2.642 116.067 118.700 0.015 0.000 3.546 224 N HA 0.211 4.951 4.740 -0.001 0.000 0.362 224 N C 0.918 176.368 175.510 -0.101 0.000 1.477 224 N CA 0.261 53.310 53.050 -0.001 0.000 0.841 224 N CB 0.078 38.626 38.487 0.103 0.000 2.283 224 N HN 0.616 nan 8.380 nan 0.000 0.497 225 E N -0.137 119.933 120.200 -0.216 0.000 2.338 225 E HA -0.085 4.265 4.350 -0.001 0.000 0.197 225 E C 0.323 176.637 176.600 -0.477 0.000 1.007 225 E CA 1.241 57.396 56.400 -0.408 0.000 0.849 225 E CB -0.436 28.913 29.700 -0.585 0.000 0.774 225 E HN 0.558 nan 8.360 nan 0.000 0.506 226 F N 1.291 121.250 119.950 0.015 0.000 2.698 226 F HA 0.401 4.928 4.527 -0.001 0.000 0.295 226 F C 1.368 177.095 175.800 -0.122 0.000 1.124 226 F CA 0.631 58.653 58.000 0.035 0.000 1.426 226 F CB 0.791 39.880 39.000 0.148 0.000 1.120 226 F HN 0.141 nan 8.300 nan 0.000 0.583 227 G N -0.507 108.164 108.800 -0.214 0.000 2.361 227 G HA2 0.259 4.219 3.960 -0.001 0.000 0.299 227 G HA3 0.259 4.219 3.960 -0.001 0.000 0.299 227 G C -1.979 172.368 174.900 -0.922 0.000 1.544 227 G CA -0.935 43.740 45.100 -0.708 0.000 0.860 227 G HN -0.127 nan 8.290 nan 0.000 0.610 228 N N -0.816 117.429 118.700 -0.758 0.000 2.229 228 N HA 0.698 5.438 4.740 -0.001 0.000 0.298 228 N C -1.720 173.635 175.510 -0.258 0.000 1.114 228 N CA -0.544 52.259 53.050 -0.412 0.000 0.776 228 N CB 2.640 41.008 38.487 -0.199 0.000 1.501 228 N HN 0.537 nan 8.380 nan 0.000 0.474 229 L N 1.041 122.240 121.223 -0.039 0.000 2.381 229 L HA 0.556 4.896 4.340 -0.001 0.000 0.274 229 L C -0.929 175.961 176.870 0.032 0.000 0.988 229 L CA -0.114 54.767 54.840 0.068 0.000 0.824 229 L CB 1.746 43.917 42.059 0.188 0.000 1.263 229 L HN 0.467 nan 8.230 nan 0.000 0.410 230 T N 3.864 118.445 114.554 0.046 0.000 2.847 230 T HA 0.503 4.852 4.350 -0.001 0.000 0.291 230 T C -0.740 173.995 174.700 0.057 0.000 0.998 230 T CA -0.423 61.699 62.100 0.036 0.000 0.967 230 T CB 1.211 70.096 68.868 0.028 0.000 0.954 230 T HN 0.580 nan 8.240 nan 0.000 0.441 231 E N 1.923 122.155 120.200 0.055 0.000 2.212 231 E HA 0.665 5.015 4.350 -0.001 0.000 0.268 231 E C -0.859 175.771 176.600 0.051 0.000 0.902 231 E CA -1.007 55.431 56.400 0.062 0.000 0.779 231 E CB 1.190 30.936 29.700 0.077 0.000 1.172 231 E HN 0.271 nan 8.360 nan 0.000 0.409 232 R N 1.022 121.549 120.500 0.046 0.000 2.574 232 R HA 0.439 4.778 4.340 -0.001 0.000 0.288 232 R C -1.367 174.941 176.300 0.014 0.000 1.004 232 R CA -0.567 55.559 56.100 0.044 0.000 0.895 232 R CB 2.193 32.541 30.300 0.081 0.000 1.191 232 R HN 0.308 nan 8.270 nan 0.000 0.444 233 T N 1.469 116.034 114.554 0.018 0.000 2.770 233 T HA 0.200 4.549 4.350 -0.001 0.000 0.283 233 T C -0.855 173.849 174.700 0.007 0.000 0.988 233 T CA -0.632 61.474 62.100 0.012 0.000 0.957 233 T CB 1.055 69.932 68.868 0.016 0.000 0.930 233 T HN 0.369 nan 8.240 nan 0.000 0.443 234 D N 3.493 123.890 120.400 -0.004 0.000 2.468 234 D HA 0.046 4.686 4.640 -0.001 0.000 0.218 234 D C 1.313 177.620 176.300 0.011 0.000 1.155 234 D CA -0.399 53.601 54.000 -0.000 0.000 0.924 234 D CB 0.384 41.173 40.800 -0.018 0.000 1.029 234 D HN 0.550 nan 8.370 nan 0.000 0.515 235 N N 2.323 121.033 118.700 0.015 0.000 2.069 235 N HA -0.314 4.426 4.740 -0.001 0.000 0.196 235 N C 1.432 176.952 175.510 0.016 0.000 1.024 235 N CA 1.940 55.000 53.050 0.016 0.000 0.869 235 N CB -0.556 37.941 38.487 0.017 0.000 1.035 235 N HN 0.371 nan 8.380 nan 0.000 0.434 236 S N 0.991 116.701 115.700 0.016 0.000 2.383 236 S HA 0.051 4.520 4.470 -0.001 0.000 0.227 236 S C 2.171 176.781 174.600 0.016 0.000 1.026 236 S CA 0.380 58.589 58.200 0.015 0.000 0.981 236 S CB -0.536 62.672 63.200 0.014 0.000 0.818 236 S HN 0.249 nan 8.310 nan 0.000 0.472 237 L N 1.158 122.391 121.223 0.016 0.000 2.341 237 L HA 0.103 4.442 4.340 -0.001 0.000 0.214 237 L C 0.827 177.717 176.870 0.033 0.000 1.115 237 L CA 0.656 55.509 54.840 0.023 0.000 0.820 237 L CB -0.791 41.278 42.059 0.018 0.000 0.944 237 L HN 0.424 nan 8.230 nan 0.000 0.452 238 N N 0.146 118.861 118.700 0.025 0.000 2.756 238 N HA -0.178 4.561 4.740 -0.001 0.000 0.248 238 N C -1.266 174.259 175.510 0.025 0.000 1.062 238 N CA 0.394 53.459 53.050 0.025 0.000 0.696 238 N CB -1.219 37.285 38.487 0.028 0.000 0.946 238 N HN 0.044 nan 8.380 nan 0.000 0.548 239 V N 0.849 120.778 119.914 0.024 0.000 2.888 239 V HA 0.653 4.773 4.120 -0.001 0.000 0.309 239 V C 0.132 176.249 176.094 0.038 0.000 1.114 239 V CA -0.906 61.411 62.300 0.029 0.000 0.940 239 V CB 2.091 33.937 31.823 0.038 0.000 1.021 239 V HN 0.324 nan 8.190 nan 0.000 0.426 240 L N 4.767 126.025 121.223 0.057 0.000 2.354 240 L HA 0.812 5.152 4.340 -0.001 0.000 0.269 240 L C -1.210 175.688 176.870 0.047 0.000 1.005 240 L CA -0.686 54.182 54.840 0.047 0.000 0.819 240 L CB 2.141 44.235 42.059 0.058 0.000 1.311 240 L HN 0.598 nan 8.230 nan 0.000 0.423 241 I N 0.906 121.467 120.570 -0.014 0.000 2.404 241 I HA 0.586 4.756 4.170 -0.001 0.000 0.293 241 I C -0.572 175.524 176.117 -0.036 0.000 0.992 241 I CA -0.496 60.749 61.300 -0.091 0.000 1.149 241 I CB 1.186 39.094 38.000 -0.153 0.000 1.315 241 I HN 0.637 nan 8.210 nan 0.000 0.446 242 S N 3.745 119.413 115.700 -0.053 0.000 2.502 242 S HA 0.595 5.064 4.470 -0.001 0.000 0.304 242 S C -0.207 174.405 174.600 0.019 0.000 1.097 242 S CA -0.569 57.647 58.200 0.027 0.000 1.045 242 S CB 1.860 65.110 63.200 0.083 0.000 1.019 242 S HN 0.669 nan 8.310 nan 0.000 0.481 243 S N 2.611 118.344 115.700 0.054 0.000 2.449 243 S HA 0.638 5.108 4.470 -0.001 0.000 0.310 243 S C -0.580 174.080 174.600 0.100 0.000 1.096 243 S CA -0.629 57.612 58.200 0.068 0.000 1.095 243 S CB 0.417 63.648 63.200 0.051 0.000 1.007 243 S HN 0.583 nan 8.310 nan 0.000 0.474 244 I N 3.166 123.834 120.570 0.165 0.000 2.499 244 I HA 0.399 4.568 4.170 -0.001 0.000 0.288 244 I C -0.546 175.705 176.117 0.224 0.000 1.048 244 I CA -0.656 60.763 61.300 0.198 0.000 1.062 244 I CB 1.983 40.149 38.000 0.276 0.000 1.238 244 I HN 0.643 nan 8.210 nan 0.000 0.426 245 E N 6.843 127.071 120.200 0.046 0.000 2.256 245 E HA 0.781 5.131 4.350 -0.001 0.000 0.268 245 E C -1.455 175.079 176.600 -0.110 0.000 0.877 245 E CA -0.961 55.441 56.400 0.004 0.000 0.757 245 E CB 2.593 32.272 29.700 -0.036 0.000 1.183 245 E HN 0.473 nan 8.360 nan 0.000 0.418 246 M N 2.352 121.941 119.600 -0.019 0.000 2.393 246 M HA 0.247 4.727 4.480 -0.001 0.000 0.299 246 M C -0.591 175.719 176.300 0.017 0.000 1.103 246 M CA -0.834 54.445 55.300 -0.036 0.000 0.910 246 M CB 2.536 35.208 32.600 0.120 0.000 1.659 246 M HN 0.659 nan 8.290 nan 0.000 0.445 247 E N 1.317 121.536 120.200 0.031 0.000 2.369 247 E HA 0.179 4.529 4.350 -0.001 0.000 0.255 247 E C -0.455 176.170 176.600 0.041 0.000 1.172 247 E CA -0.745 55.679 56.400 0.041 0.000 0.932 247 E CB 0.815 30.553 29.700 0.064 0.000 1.040 247 E HN 0.624 nan 8.360 nan 0.000 0.454 248 E N 0.112 120.311 120.200 -0.003 0.000 2.465 248 E HA 0.101 4.450 4.350 -0.001 0.000 0.260 248 E C 0.505 176.931 176.600 -0.290 0.000 0.980 248 E CA 0.939 57.293 56.400 -0.076 0.000 0.927 248 E CB -0.099 29.564 29.700 -0.062 0.000 0.934 248 E HN 0.828 nan 8.360 nan 0.000 0.459 249 G N 2.451 111.084 108.800 -0.278 0.000 2.176 249 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.253 249 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.253 249 G C 0.286 175.079 174.900 -0.179 0.000 0.979 249 G CA 0.085 44.901 45.100 -0.473 0.000 0.641 249 G HN 0.888 nan 8.290 nan 0.000 0.530 250 A N -0.401 122.433 122.820 0.023 0.000 2.386 250 A HA 0.766 5.086 4.320 -0.001 0.000 0.248 250 A C -0.062 177.642 177.584 0.200 0.000 1.082 250 A CA 0.572 52.728 52.037 0.199 0.000 0.789 250 A CB 1.027 20.203 19.000 0.293 0.000 1.025 250 A HN 1.585 nan 8.150 nan 0.000 0.490 251 L N 1.597 122.948 121.223 0.213 0.000 2.385 251 L HA 0.651 4.990 4.340 -0.001 0.000 0.273 251 L C -1.335 175.730 176.870 0.325 0.000 0.990 251 L CA -0.418 54.561 54.840 0.232 0.000 0.821 251 L CB 1.652 43.790 42.059 0.132 0.000 1.279 251 L HN 0.608 nan 8.230 nan 0.000 0.412 252 F N 6.685 126.718 119.950 0.138 0.000 2.303 252 F HA 0.404 4.930 4.527 -0.001 0.000 0.368 252 F C 0.184 175.962 175.800 -0.037 0.000 1.105 252 F CA -1.276 56.704 58.000 -0.033 0.000 1.153 252 F CB 0.501 39.515 39.000 0.023 0.000 1.362 252 F HN 0.407 nan 8.300 nan 0.000 0.511 253 V N 4.661 124.705 119.914 0.217 0.000 3.230 253 V HA 0.152 4.271 4.120 -0.001 0.000 0.302 253 V C -2.297 173.832 176.094 0.059 0.000 1.158 253 V CA -1.372 60.978 62.300 0.082 0.000 1.279 253 V CB -0.604 31.232 31.823 0.022 0.000 0.983 253 V HN 0.574 nan 8.190 nan 0.000 0.506 254 P HA 0.112 nan 4.420 nan 0.000 0.258 254 P C -0.511 176.796 177.300 0.012 0.000 1.172 254 P CA 1.106 64.199 63.100 -0.012 0.000 0.762 254 P CB -0.126 31.564 31.700 -0.016 0.000 0.764 255 H N 1.745 120.693 119.070 -0.203 0.000 2.933 255 H HA 0.632 5.187 4.556 -0.001 0.000 0.310 255 H C -1.278 174.024 175.328 -0.043 0.000 1.351 255 H CA -0.813 55.119 56.048 -0.194 0.000 1.137 255 H CB 1.183 30.741 29.762 -0.340 0.000 1.853 255 H HN 0.429 nan 8.280 nan 0.000 0.539 256 Y N -1.164 119.117 120.300 -0.033 0.000 2.656 256 Y HA 0.618 5.167 4.550 -0.001 0.000 0.334 256 Y C -2.663 173.416 175.900 0.299 0.000 1.179 256 Y CA -1.403 56.682 58.100 -0.026 0.000 1.050 256 Y CB 0.941 39.366 38.460 -0.058 0.000 1.308 256 Y HN 0.495 nan 8.280 nan 0.000 0.456 257 Y N 1.860 122.279 120.300 0.199 0.000 2.328 257 Y HA 0.370 4.920 4.550 -0.001 0.000 0.336 257 Y C 1.439 177.490 175.900 0.251 0.000 0.960 257 Y CA -1.071 57.095 58.100 0.110 0.000 1.134 257 Y CB 2.162 40.656 38.460 0.058 0.000 1.166 257 Y HN 0.886 nan 8.280 nan 0.000 0.464 258 S N 2.654 118.539 115.700 0.310 0.000 2.372 258 S HA -0.294 4.175 4.470 -0.001 0.000 0.227 258 S C 0.995 175.702 174.600 0.179 0.000 1.044 258 S CA 2.173 60.550 58.200 0.295 0.000 1.050 258 S CB -0.152 63.143 63.200 0.157 0.000 0.901 258 S HN 0.792 nan 8.310 nan 0.000 0.447 259 K N 0.239 120.719 120.400 0.132 0.000 2.544 259 K HA 0.593 4.912 4.320 -0.001 0.000 0.213 259 K C 0.416 177.049 176.600 0.055 0.000 1.392 259 K CA 0.332 56.663 56.287 0.074 0.000 0.980 259 K CB 0.244 32.773 32.500 0.048 0.000 1.177 259 K HN 0.332 nan 8.250 nan 0.000 0.570 260 A N 2.407 125.287 122.820 0.101 0.000 2.454 260 A HA 0.442 4.761 4.320 -0.001 0.000 0.260 260 A C -0.055 177.530 177.584 0.001 0.000 1.106 260 A CA -0.478 51.603 52.037 0.073 0.000 0.780 260 A CB -0.340 18.767 19.000 0.179 0.000 1.044 260 A HN 0.466 nan 8.150 nan 0.000 0.498 261 I N 2.804 123.318 120.570 -0.094 0.000 2.342 261 I HA 0.535 4.705 4.170 -0.001 0.000 0.291 261 I C -0.566 175.436 176.117 -0.192 0.000 1.010 261 I CA -0.008 61.182 61.300 -0.184 0.000 1.308 261 I CB 1.202 39.062 38.000 -0.235 0.000 1.400 261 I HN 0.253 nan 8.210 nan 0.000 0.488 262 V N 8.084 127.869 119.914 -0.215 0.000 2.427 262 V HA 0.433 4.552 4.120 -0.001 0.000 0.286 262 V C 0.231 176.230 176.094 -0.159 0.000 1.034 262 V CA -0.483 61.709 62.300 -0.178 0.000 0.893 262 V CB 1.395 33.079 31.823 -0.233 0.000 0.982 262 V HN 0.625 nan 8.190 nan 0.000 0.452 263 I N 5.790 126.311 120.570 -0.082 0.000 2.359 263 I HA 0.385 4.555 4.170 -0.001 0.000 0.284 263 I C -0.338 175.838 176.117 0.098 0.000 1.018 263 I CA -0.201 61.083 61.300 -0.027 0.000 1.173 263 I CB 1.100 39.084 38.000 -0.027 0.000 1.326 263 I HN 0.323 nan 8.210 nan 0.000 0.462 264 L N 6.810 128.118 121.223 0.142 0.000 2.334 264 L HA 0.623 4.963 4.340 -0.001 0.000 0.277 264 L C -0.587 176.472 176.870 0.316 0.000 1.075 264 L CA -0.721 54.249 54.840 0.217 0.000 0.804 264 L CB 1.975 44.171 42.059 0.228 0.000 1.174 264 L HN 0.304 nan 8.230 nan 0.000 0.438 265 V N 3.552 123.674 119.914 0.347 0.000 2.686 265 V HA 0.297 4.417 4.120 -0.001 0.000 0.306 265 V C -0.219 176.082 176.094 0.345 0.000 1.065 265 V CA -0.757 61.755 62.300 0.354 0.000 0.894 265 V CB 2.188 34.211 31.823 0.334 0.000 1.004 265 V HN 0.390 nan 8.190 nan 0.000 0.424 266 V N 4.467 124.543 119.914 0.270 0.000 2.432 266 V HA 0.264 4.383 4.120 -0.001 0.000 0.271 266 V C 0.945 177.062 176.094 0.039 0.000 1.046 266 V CA -0.309 62.029 62.300 0.062 0.000 0.945 266 V CB 0.968 32.804 31.823 0.021 0.000 0.992 266 V HN 0.896 nan 8.190 nan 0.000 0.471 267 N N 2.737 121.422 118.700 -0.026 0.000 2.251 267 N HA 0.054 4.794 4.740 -0.001 0.000 0.181 267 N C 0.481 175.970 175.510 -0.035 0.000 1.019 267 N CA 0.595 53.642 53.050 -0.005 0.000 0.862 267 N CB 0.244 38.732 38.487 0.001 0.000 0.992 267 N HN 0.817 nan 8.380 nan 0.000 0.429 268 E N -1.663 118.486 120.200 -0.086 0.000 2.380 268 E HA 0.543 4.893 4.350 -0.001 0.000 0.281 268 E C -0.482 176.044 176.600 -0.123 0.000 0.999 268 E CA 0.032 56.387 56.400 -0.075 0.000 0.800 268 E CB 1.298 30.965 29.700 -0.054 0.000 1.228 268 E HN 0.247 nan 8.360 nan 0.000 0.436 269 G N 2.158 110.907 108.800 -0.085 0.000 2.526 269 G HA2 0.021 3.981 3.960 -0.001 0.000 0.250 269 G HA3 0.021 3.981 3.960 -0.001 0.000 0.250 269 G C -1.216 173.640 174.900 -0.073 0.000 1.289 269 G CA -0.297 44.749 45.100 -0.091 0.000 0.947 269 G HN 0.536 nan 8.290 nan 0.000 0.517 270 E N -0.794 119.374 120.200 -0.054 0.000 2.340 270 E HA 0.688 5.038 4.350 -0.001 0.000 0.273 270 E C -0.151 176.467 176.600 0.030 0.000 0.891 270 E CA -0.393 56.005 56.400 -0.002 0.000 0.757 270 E CB 2.208 31.921 29.700 0.021 0.000 1.231 270 E HN 1.564 nan 8.360 nan 0.000 0.439 271 A N 1.591 124.462 122.820 0.086 0.000 2.606 271 A HA 0.552 4.871 4.320 -0.001 0.000 0.293 271 A C -1.922 175.747 177.584 0.142 0.000 1.082 271 A CA -0.684 51.450 52.037 0.161 0.000 0.685 271 A CB 1.417 20.607 19.000 0.317 0.000 1.284 271 A HN 0.741 nan 8.150 nan 0.000 0.408 272 H N 0.008 119.113 119.070 0.058 0.000 2.481 272 H HA 0.701 5.257 4.556 -0.001 0.000 0.333 272 H C -1.187 174.127 175.328 -0.024 0.000 1.066 272 H CA -0.462 55.585 56.048 -0.001 0.000 1.209 272 H CB 1.509 31.273 29.762 0.002 0.000 1.445 272 H HN 0.864 nan 8.280 nan 0.000 0.488 273 V N 4.957 124.420 119.914 -0.750 0.000 2.914 273 V HA 0.503 4.623 4.120 -0.001 0.000 0.314 273 V C -1.384 174.364 176.094 -0.576 0.000 1.084 273 V CA -0.507 61.443 62.300 -0.583 0.000 0.963 273 V CB 2.010 33.483 31.823 -0.583 0.000 1.025 273 V HN 1.016 nan 8.190 nan 0.000 0.432 274 E N 5.543 125.569 120.200 -0.289 0.000 2.263 274 E HA 0.513 4.862 4.350 -0.001 0.000 0.268 274 E C -1.564 175.020 176.600 -0.028 0.000 0.884 274 E CA -0.712 55.621 56.400 -0.112 0.000 0.766 274 E CB 2.715 32.399 29.700 -0.028 0.000 1.196 274 E HN 0.551 nan 8.360 nan 0.000 0.416 275 L N 2.351 123.633 121.223 0.098 0.000 2.365 275 L HA 0.530 4.869 4.340 -0.001 0.000 0.273 275 L C -1.476 175.478 176.870 0.140 0.000 1.000 275 L CA -0.777 54.126 54.840 0.105 0.000 0.819 275 L CB 1.990 44.152 42.059 0.172 0.000 1.284 275 L HN 0.395 nan 8.230 nan 0.000 0.418 276 V N 4.286 124.213 119.914 0.022 0.000 2.513 276 V HA 1.004 5.123 4.120 -0.001 0.000 0.299 276 V C 0.467 176.472 176.094 -0.148 0.000 1.035 276 V CA 0.207 62.490 62.300 -0.028 0.000 0.889 276 V CB 0.848 32.579 31.823 -0.153 0.000 0.988 276 V HN 1.044 nan 8.190 nan 0.000 0.440 277 G N 3.909 112.668 108.800 -0.068 0.000 2.619 277 G HA2 0.609 4.569 3.960 -0.001 0.000 0.305 277 G HA3 0.609 4.569 3.960 -0.001 0.000 0.305 277 G C -3.322 171.597 174.900 0.031 0.000 1.330 277 G CA -0.955 43.949 45.100 -0.327 0.000 0.789 277 G HN 0.496 nan 8.290 nan 0.000 0.487 278 P HA 0.146 nan 4.420 nan 0.000 0.267 278 P C -0.593 176.846 177.300 0.231 0.000 1.205 278 P CA 0.027 63.227 63.100 0.167 0.000 0.765 278 P CB 1.124 32.892 31.700 0.113 0.000 0.828 279 K N 3.832 124.322 120.400 0.150 0.000 2.237 279 K HA 0.329 4.648 4.320 -0.001 0.000 0.283 279 K C 0.609 177.275 176.600 0.110 0.000 1.080 279 K CA 0.316 56.665 56.287 0.104 0.000 0.965 279 K CB -1.104 31.410 32.500 0.022 0.000 1.098 279 K HN 0.813 nan 8.250 nan 0.000 0.434 284 T N -2.192 112.362 114.554 -0.001 0.000 2.630 284 T HA 0.430 4.779 4.350 -0.001 0.000 0.300 284 T C 0.216 174.878 174.700 -0.063 0.000 1.261 284 T CA -0.852 61.227 62.100 -0.034 0.000 1.060 284 T CB 0.568 69.407 68.868 -0.049 0.000 1.670 284 T HN 0.164 nan 8.240 nan 0.000 0.473 285 L N -0.208 120.932 121.223 -0.137 0.000 2.693 285 L HA 0.382 4.722 4.340 -0.001 0.000 0.235 285 L C 0.683 177.198 176.870 -0.593 0.000 1.127 285 L CA -0.156 54.529 54.840 -0.258 0.000 0.914 285 L CB 0.105 42.051 42.059 -0.189 0.000 1.193 285 L HN 0.592 nan 8.230 nan 0.000 0.502 286 E N 0.619 120.579 120.200 -0.401 0.000 2.290 286 E HA 0.175 4.525 4.350 -0.001 0.000 0.277 286 E C -1.030 175.341 176.600 -0.382 0.000 1.035 286 E CA -0.087 56.068 56.400 -0.408 0.000 0.873 286 E CB 0.908 30.499 29.700 -0.181 0.000 1.029 286 E HN 0.001 nan 8.360 nan 0.000 0.419 287 Y N 1.365 121.636 120.300 -0.047 0.000 2.593 287 Y HA 0.481 5.030 4.550 -0.001 0.000 0.330 287 Y C 0.422 176.285 175.900 -0.061 0.000 1.223 287 Y CA -1.103 56.963 58.100 -0.056 0.000 1.350 287 Y CB 0.807 39.226 38.460 -0.068 0.000 1.499 287 Y HN 0.475 nan 8.280 nan 0.000 0.554 288 E N -1.007 119.266 120.200 0.121 0.000 2.390 288 E HA 0.425 4.774 4.350 -0.001 0.000 0.280 288 E C -1.720 174.793 176.600 -0.144 0.000 0.992 288 E CA -0.484 55.866 56.400 -0.084 0.000 0.790 288 E CB 1.891 31.464 29.700 -0.212 0.000 1.248 288 E HN 0.396 nan 8.360 nan 0.000 0.447 289 S N 2.365 117.940 115.700 -0.209 0.000 2.462 289 S HA 0.514 4.984 4.470 -0.001 0.000 0.294 289 S C -1.478 172.980 174.600 -0.237 0.000 1.144 289 S CA -0.354 57.773 58.200 -0.122 0.000 1.088 289 S CB 0.202 63.376 63.200 -0.043 0.000 1.009 289 S HN 0.419 nan 8.310 nan 0.000 0.484 290 Y N 4.528 124.897 120.300 0.115 0.000 2.712 290 Y HA 0.434 4.983 4.550 -0.001 0.000 0.328 290 Y C 0.795 176.776 175.900 0.135 0.000 0.995 290 Y CA -0.708 57.506 58.100 0.190 0.000 1.283 290 Y CB 0.712 39.377 38.460 0.342 0.000 1.092 290 Y HN 0.498 nan 8.280 nan 0.000 0.519 291 R N 1.840 122.424 120.500 0.140 0.000 2.607 291 R HA 0.951 5.290 4.340 -0.001 0.000 0.261 291 R C -0.805 175.448 176.300 -0.077 0.000 1.051 291 R CA -1.223 54.864 56.100 -0.021 0.000 1.110 291 R CB 1.433 31.735 30.300 0.003 0.000 1.158 291 R HN 0.570 nan 8.270 nan 0.000 0.543 292 A N 0.864 123.521 122.820 -0.272 0.000 2.590 292 A HA 0.297 4.616 4.320 -0.001 0.000 0.296 292 A C -1.675 175.723 177.584 -0.310 0.000 1.050 292 A CA -0.932 50.900 52.037 -0.341 0.000 0.697 292 A CB 1.581 20.301 19.000 -0.467 0.000 1.277 292 A HN 0.534 nan 8.150 nan 0.000 0.411 293 E N 1.666 121.726 120.200 -0.233 0.000 2.035 293 E HA 0.490 4.839 4.350 -0.001 0.000 0.271 293 E C -0.956 175.633 176.600 -0.019 0.000 0.953 293 E CA -0.422 55.939 56.400 -0.065 0.000 0.777 293 E CB 1.021 30.724 29.700 0.005 0.000 1.104 293 E HN 0.438 nan 8.360 nan 0.000 0.408 294 L N 1.986 123.242 121.223 0.056 0.000 2.375 294 L HA 0.396 4.736 4.340 -0.001 0.000 0.271 294 L C 0.770 177.734 176.870 0.156 0.000 1.107 294 L CA 0.022 54.978 54.840 0.195 0.000 0.806 294 L CB 1.006 43.198 42.059 0.222 0.000 1.146 294 L HN 0.557 nan 8.230 nan 0.000 0.447 295 S N 0.692 116.503 115.700 0.185 0.000 2.705 295 S HA 0.482 4.951 4.470 -0.001 0.000 0.280 295 S C -0.685 173.980 174.600 0.109 0.000 1.174 295 S CA -1.102 57.164 58.200 0.110 0.000 0.823 295 S CB 1.055 64.318 63.200 0.106 0.000 1.162 295 S HN 0.499 nan 8.310 nan 0.000 0.487 296 K N 0.536 120.972 120.400 0.060 0.000 2.569 296 K HA -0.077 4.242 4.320 -0.001 0.000 0.280 296 K C -0.470 176.195 176.600 0.107 0.000 0.984 296 K CA 1.427 57.746 56.287 0.054 0.000 1.064 296 K CB -0.345 32.165 32.500 0.017 0.000 0.866 296 K HN 0.678 nan 8.250 nan 0.000 0.492 297 D N 1.229 121.708 120.400 0.131 0.000 3.006 297 D HA -0.187 4.452 4.640 -0.001 0.000 0.208 297 D C -0.592 175.961 176.300 0.422 0.000 1.116 297 D CA 1.356 55.491 54.000 0.225 0.000 0.998 297 D CB -0.589 40.235 40.800 0.041 0.000 1.124 297 D HN 0.629 nan 8.370 nan 0.000 0.413 298 D N -0.246 120.341 120.400 0.311 0.000 2.372 298 D HA 0.340 4.979 4.640 -0.001 0.000 0.243 298 D C 0.456 176.953 176.300 0.328 0.000 1.121 298 D CA 0.012 54.181 54.000 0.281 0.000 0.898 298 D CB 1.321 42.298 40.800 0.295 0.000 1.202 298 D HN -0.140 nan 8.370 nan 0.000 0.428 299 V N 2.333 122.412 119.914 0.275 0.000 2.769 299 V HA 0.531 4.651 4.120 -0.001 0.000 0.312 299 V C -0.805 175.556 176.094 0.444 0.000 1.061 299 V CA -0.813 61.670 62.300 0.305 0.000 0.931 299 V CB 1.865 33.756 31.823 0.113 0.000 1.010 299 V HN 0.380 nan 8.190 nan 0.000 0.433 300 F N 3.032 123.135 119.950 0.254 0.000 2.573 300 F HA 0.657 5.183 4.527 -0.001 0.000 0.316 300 F C -0.594 175.299 175.800 0.156 0.000 1.148 300 F CA -0.606 57.569 58.000 0.290 0.000 0.940 300 F CB 1.879 41.052 39.000 0.288 0.000 1.214 300 F HN 0.236 nan 8.300 nan 0.000 0.448 301 V N 7.217 126.945 119.914 -0.310 0.000 2.383 301 V HA 0.347 4.467 4.120 -0.001 0.000 0.275 301 V C 0.057 175.870 176.094 -0.467 0.000 1.036 301 V CA -0.399 61.726 62.300 -0.291 0.000 0.889 301 V CB 1.141 32.876 31.823 -0.147 0.000 0.985 301 V HN 0.519 nan 8.190 nan 0.000 0.459 302 I N 7.783 128.155 120.570 -0.330 0.000 2.337 302 I HA 0.338 4.507 4.170 -0.001 0.000 0.285 302 I C -2.387 173.471 176.117 -0.432 0.000 1.041 302 I CA -1.899 59.184 61.300 -0.362 0.000 1.199 302 I CB 1.490 39.349 38.000 -0.235 0.000 1.370 302 I HN 0.411 nan 8.210 nan 0.000 0.470 303 P HA 0.057 nan 4.420 nan 0.000 0.269 303 P C -0.260 176.706 177.300 -0.557 0.000 1.209 303 P CA -0.258 62.388 63.100 -0.756 0.000 0.776 303 P CB 0.664 31.468 31.700 -1.492 0.000 0.876 304 A N 3.194 125.803 122.820 -0.352 0.000 2.524 304 A HA 0.377 4.696 4.320 -0.001 0.000 0.250 304 A C 1.273 178.834 177.584 -0.039 0.000 1.078 304 A CA 0.728 52.689 52.037 -0.127 0.000 0.761 304 A CB -1.416 17.546 19.000 -0.063 0.000 1.012 304 A HN 0.771 nan 8.150 nan 0.000 0.500 305 A N 1.512 124.364 122.820 0.054 0.000 3.384 305 A HA -0.157 4.162 4.320 -0.001 0.000 0.260 305 A C 0.033 177.563 177.584 -0.090 0.000 1.168 305 A CA 1.042 53.028 52.037 -0.086 0.000 1.253 305 A CB -2.639 16.295 19.000 -0.110 0.000 1.122 305 A HN 1.208 nan 8.150 nan 0.000 0.934 306 Y N 0.094 120.241 120.300 -0.256 0.000 2.336 306 Y HA 0.491 5.040 4.550 -0.001 0.000 0.335 306 Y C -2.108 173.648 175.900 -0.240 0.000 1.046 306 Y CA -2.429 55.504 58.100 -0.279 0.000 1.198 306 Y CB 0.109 38.388 38.460 -0.302 0.000 1.182 306 Y HN 0.125 nan 8.280 nan 0.000 0.502 307 P HA 0.163 nan 4.420 nan 0.000 0.268 307 P C -0.889 176.306 177.300 -0.176 0.000 1.205 307 P CA 0.067 63.093 63.100 -0.124 0.000 0.771 307 P CB 1.104 32.723 31.700 -0.134 0.000 0.858 308 V N 1.900 121.626 119.914 -0.313 0.000 3.120 308 V HA 0.820 4.939 4.120 -0.001 0.000 0.303 308 V C -1.696 174.174 176.094 -0.373 0.000 1.238 308 V CA -0.731 61.372 62.300 -0.327 0.000 1.008 308 V CB 2.142 33.742 31.823 -0.372 0.000 1.064 308 V HN 0.638 nan 8.190 nan 0.000 0.434 309 A N 5.917 128.620 122.820 -0.194 0.000 2.449 309 A HA 0.931 5.251 4.320 -0.001 0.000 0.302 309 A C -1.425 176.135 177.584 -0.040 0.000 1.048 309 A CA -0.535 51.451 52.037 -0.084 0.000 0.708 309 A CB 1.593 20.583 19.000 -0.017 0.000 1.274 309 A HN 0.837 nan 8.150 nan 0.000 0.410 310 I N 1.956 122.562 120.570 0.060 0.000 2.466 310 I HA 0.408 4.577 4.170 -0.001 0.000 0.289 310 I C -0.243 176.009 176.117 0.226 0.000 1.026 310 I CA -0.637 60.735 61.300 0.120 0.000 1.078 310 I CB 2.018 40.108 38.000 0.150 0.000 1.249 310 I HN 0.438 nan 8.210 nan 0.000 0.429 311 K N 5.239 125.774 120.400 0.225 0.000 2.274 311 K HA 0.660 4.979 4.320 -0.001 0.000 0.262 311 K C -0.868 175.863 176.600 0.219 0.000 0.961 311 K CA -0.556 55.867 56.287 0.227 0.000 0.833 311 K CB 2.002 34.639 32.500 0.229 0.000 1.102 311 K HN 0.714 nan 8.250 nan 0.000 0.436 312 A N 3.706 126.641 122.820 0.192 0.000 2.350 312 A HA 0.195 4.514 4.320 -0.001 0.000 0.293 312 A C 0.979 178.606 177.584 0.073 0.000 1.231 312 A CA -0.038 52.092 52.037 0.155 0.000 0.883 312 A CB 0.172 19.262 19.000 0.149 0.000 1.133 312 A HN 0.807 nan 8.150 nan 0.000 0.533 313 T N 1.348 115.946 114.554 0.072 0.000 2.951 313 T HA 0.042 4.391 4.350 -0.001 0.000 0.268 313 T C 1.122 175.825 174.700 0.004 0.000 1.073 313 T CA 1.588 63.708 62.100 0.034 0.000 1.134 313 T CB -0.185 68.712 68.868 0.049 0.000 0.884 313 T HN 1.034 nan 8.240 nan 0.000 0.479 314 S N 0.108 115.810 115.700 0.003 0.000 2.819 314 S HA 0.400 4.869 4.470 -0.001 0.000 0.299 314 S C -1.382 173.210 174.600 -0.014 0.000 1.192 314 S CA -1.162 57.030 58.200 -0.012 0.000 0.847 314 S CB 0.822 64.015 63.200 -0.012 0.000 1.224 314 S HN 0.087 nan 8.310 nan 0.000 0.537 315 N N 0.474 119.162 118.700 -0.019 0.000 2.475 315 N HA 0.417 5.157 4.740 -0.001 0.000 0.267 315 N C -1.012 174.469 175.510 -0.049 0.000 1.169 315 N CA -0.023 53.014 53.050 -0.021 0.000 0.947 315 N CB 1.378 39.854 38.487 -0.019 0.000 1.061 315 N HN 0.539 nan 8.380 nan 0.000 0.466 316 V N 2.612 122.488 119.914 -0.063 0.000 2.925 316 V HA 0.429 4.549 4.120 -0.001 0.000 0.311 316 V C -1.030 174.950 176.094 -0.190 0.000 1.104 316 V CA -0.925 61.269 62.300 -0.177 0.000 0.954 316 V CB 2.479 34.142 31.823 -0.267 0.000 1.022 316 V HN 0.743 nan 8.190 nan 0.000 0.427 317 N N 4.576 123.110 118.700 -0.276 0.000 2.346 317 N HA 0.547 5.286 4.740 -0.001 0.000 0.289 317 N C -1.851 173.543 175.510 -0.193 0.000 1.027 317 N CA -0.208 52.766 53.050 -0.128 0.000 0.864 317 N CB 1.677 40.135 38.487 -0.048 0.000 1.370 317 N HN 0.469 nan 8.380 nan 0.000 0.481 318 F N 0.269 120.254 119.950 0.057 0.000 2.575 318 F HA 0.507 5.034 4.527 -0.001 0.000 0.330 318 F C 0.505 176.327 175.800 0.036 0.000 1.056 318 F CA -0.501 57.541 58.000 0.071 0.000 0.964 318 F CB 2.124 41.187 39.000 0.104 0.000 1.258 318 F HN 0.134 nan 8.300 nan 0.000 0.484 319 T N 0.393 115.094 114.554 0.246 0.000 2.881 319 T HA 0.675 5.025 4.350 -0.001 0.000 0.290 319 T C -0.391 174.285 174.700 -0.039 0.000 1.000 319 T CA -0.894 61.227 62.100 0.036 0.000 0.978 319 T CB 1.618 70.468 68.868 -0.031 0.000 0.997 319 T HN 0.917 nan 8.240 nan 0.000 0.443 320 G N 1.317 110.010 108.800 -0.178 0.000 2.519 320 G HA2 0.730 4.689 3.960 -0.001 0.000 0.307 320 G HA3 0.730 4.689 3.960 -0.001 0.000 0.307 320 G C -1.696 172.986 174.900 -0.362 0.000 1.266 320 G CA -0.575 44.425 45.100 -0.166 0.000 0.970 320 G HN 0.521 nan 8.290 nan 0.000 0.481 321 F N 0.709 120.664 119.950 0.008 0.000 2.499 321 F HA 0.570 5.097 4.527 -0.001 0.000 0.333 321 F C 0.689 176.439 175.800 -0.082 0.000 1.138 321 F CA -0.857 57.123 58.000 -0.034 0.000 0.945 321 F CB 2.600 41.569 39.000 -0.052 0.000 1.181 321 F HN 0.603 nan 8.300 nan 0.000 0.435 322 G N 4.160 113.026 108.800 0.110 0.000 2.370 322 G HA2 0.582 4.542 3.960 -0.001 0.000 0.317 322 G HA3 0.582 4.542 3.960 -0.001 0.000 0.317 322 G C -0.890 174.002 174.900 -0.015 0.000 1.162 322 G CA -0.562 44.560 45.100 0.036 0.000 0.922 322 G HN 0.668 nan 8.290 nan 0.000 0.454 323 I N 0.591 121.088 120.570 -0.122 0.000 2.437 323 I HA 0.729 4.898 4.170 -0.001 0.000 0.298 323 I C 0.151 176.208 176.117 -0.100 0.000 0.984 323 I CA -0.971 60.224 61.300 -0.175 0.000 1.214 323 I CB 1.955 39.673 38.000 -0.469 0.000 1.365 323 I HN 0.562 nan 8.210 nan 0.000 0.469 324 N N 3.418 122.090 118.700 -0.046 0.000 2.765 324 N HA -0.174 4.565 4.740 -0.001 0.000 0.254 324 N C 0.029 175.542 175.510 0.004 0.000 1.094 324 N CA 0.906 53.949 53.050 -0.012 0.000 0.680 324 N CB -0.855 37.619 38.487 -0.022 0.000 0.902 324 N HN 1.023 nan 8.380 nan 0.000 0.557 325 A N 0.680 123.508 122.820 0.013 0.000 2.085 325 A HA 0.198 4.518 4.320 -0.001 0.000 0.208 325 A C 0.658 178.253 177.584 0.019 0.000 1.191 325 A CA 0.075 52.128 52.037 0.027 0.000 0.799 325 A CB 0.057 19.079 19.000 0.036 0.000 0.877 325 A HN 0.516 nan 8.150 nan 0.000 0.473 326 N N 2.509 121.219 118.700 0.015 0.000 2.374 326 N HA 0.001 4.741 4.740 -0.001 0.000 0.269 326 N C -0.265 175.250 175.510 0.008 0.000 1.310 326 N CA 0.682 53.739 53.050 0.011 0.000 0.877 326 N CB 0.002 38.496 38.487 0.013 0.000 1.096 326 N HN 0.356 nan 8.380 nan 0.000 0.484 327 N N -0.451 118.250 118.700 0.002 0.000 2.967 327 N HA -0.217 4.522 4.740 -0.001 0.000 0.241 327 N C -0.262 175.243 175.510 -0.009 0.000 0.983 327 N CA 0.506 53.554 53.050 -0.003 0.000 0.918 327 N CB -1.775 36.715 38.487 0.004 0.000 1.109 327 N HN 0.753 nan 8.380 nan 0.000 0.567 328 N N 0.938 119.630 118.700 -0.013 0.000 2.479 328 N HA 0.177 4.917 4.740 -0.001 0.000 0.257 328 N C -0.500 174.957 175.510 -0.089 0.000 1.232 328 N CA 0.306 53.341 53.050 -0.026 0.000 0.920 328 N CB 0.447 38.929 38.487 -0.009 0.000 1.105 328 N HN 0.247 nan 8.380 nan 0.000 0.444 329 N N 0.863 119.499 118.700 -0.106 0.000 2.272 329 N HA 0.339 5.079 4.740 -0.001 0.000 0.305 329 N C -1.143 174.191 175.510 -0.294 0.000 1.103 329 N CA -0.768 52.185 53.050 -0.161 0.000 0.791 329 N CB 1.421 39.853 38.487 -0.092 0.000 1.356 329 N HN 0.414 nan 8.380 nan 0.000 0.486 330 R N 1.336 121.644 120.500 -0.320 0.000 2.233 330 R HA 0.284 4.623 4.340 -0.001 0.000 0.334 330 R C -1.226 174.906 176.300 -0.281 0.000 1.037 330 R CA -0.487 55.398 56.100 -0.359 0.000 0.920 330 R CB 0.060 30.202 30.300 -0.263 0.000 1.137 330 R HN 0.522 nan 8.270 nan 0.000 0.492 331 N N 3.044 121.471 118.700 -0.456 0.000 2.426 331 N HA 0.266 5.005 4.740 -0.001 0.000 0.257 331 N C -1.205 174.084 175.510 -0.368 0.000 1.002 331 N CA -0.316 52.407 53.050 -0.545 0.000 0.942 331 N CB 1.047 38.853 38.487 -1.134 0.000 1.112 331 N HN 0.210 nan 8.380 nan 0.000 0.499 332 L N 2.096 123.180 121.223 -0.231 0.000 2.334 332 L HA 0.435 4.774 4.340 -0.001 0.000 0.275 332 L C 0.628 177.443 176.870 -0.093 0.000 1.036 332 L CA -0.274 54.461 54.840 -0.175 0.000 0.807 332 L CB 1.468 43.366 42.059 -0.268 0.000 1.231 332 L HN 0.554 nan 8.230 nan 0.000 0.438 333 L N 2.542 123.734 121.223 -0.052 0.000 2.808 333 L HA 0.599 4.939 4.340 -0.001 0.000 0.246 333 L C 0.100 176.955 176.870 -0.025 0.000 1.153 333 L CA -0.046 54.787 54.840 -0.012 0.000 0.956 333 L CB 0.142 42.214 42.059 0.022 0.000 1.270 333 L HN 0.628 nan 8.230 nan 0.000 0.528 334 A N -0.514 122.280 122.820 -0.043 0.000 2.589 334 A HA 0.758 5.077 4.320 -0.001 0.000 0.296 334 A C -0.082 177.480 177.584 -0.037 0.000 1.062 334 A CA -0.024 51.991 52.037 -0.037 0.000 0.686 334 A CB 1.079 20.061 19.000 -0.030 0.000 1.282 334 A HN 0.229 nan 8.150 nan 0.000 0.404 335 G N 0.926 109.715 108.800 -0.019 0.000 2.685 335 G HA2 0.009 3.968 3.960 -0.001 0.000 0.387 335 G HA3 0.009 3.968 3.960 -0.001 0.000 0.387 335 G C 0.165 175.073 174.900 0.014 0.000 1.324 335 G CA 0.087 45.188 45.100 0.002 0.000 0.878 335 G HN 0.835 nan 8.290 nan 0.000 0.527 336 K N -0.381 120.041 120.400 0.037 0.000 2.186 336 K HA 0.131 4.450 4.320 -0.001 0.000 0.202 336 K C 1.387 178.020 176.600 0.055 0.000 1.052 336 K CA 1.495 57.807 56.287 0.041 0.000 0.965 336 K CB -0.201 32.326 32.500 0.044 0.000 0.746 336 K HN 0.586 nan 8.250 nan 0.000 0.457 337 T N 1.825 116.437 114.554 0.096 0.000 2.824 337 T HA 0.146 4.495 4.350 -0.001 0.000 0.280 337 T C -0.458 174.316 174.700 0.124 0.000 0.995 337 T CA -0.594 61.584 62.100 0.130 0.000 1.009 337 T CB 1.376 70.357 68.868 0.188 0.000 0.955 337 T HN 0.123 nan 8.240 nan 0.000 0.452 338 D N 1.676 122.125 120.400 0.082 0.000 2.772 338 D HA -0.150 4.489 4.640 -0.001 0.000 0.233 338 D C -0.090 176.185 176.300 -0.043 0.000 1.143 338 D CA 0.572 54.586 54.000 0.024 0.000 0.700 338 D CB -0.716 40.119 40.800 0.058 0.000 1.076 338 D HN 0.474 nan 8.370 nan 0.000 0.430 339 N N 0.577 119.263 118.700 -0.023 0.000 2.414 339 N HA 0.175 4.915 4.740 -0.001 0.000 0.256 339 N C 1.400 176.901 175.510 -0.016 0.000 1.029 339 N CA -0.238 52.793 53.050 -0.031 0.000 0.948 339 N CB 1.395 39.873 38.487 -0.015 0.000 1.102 339 N HN -0.111 nan 8.380 nan 0.000 0.496 340 V N 4.640 124.542 119.914 -0.021 0.000 2.295 340 V HA -0.228 3.892 4.120 -0.001 0.000 0.246 340 V C 2.309 178.426 176.094 0.038 0.000 1.049 340 V CA 1.315 63.619 62.300 0.007 0.000 1.024 340 V CB -0.775 31.066 31.823 0.030 0.000 0.648 340 V HN 0.642 nan 8.190 nan 0.000 0.447 341 I N 1.210 121.811 120.570 0.052 0.000 2.194 341 I HA -0.271 3.899 4.170 -0.001 0.000 0.246 341 I C 2.667 178.819 176.117 0.058 0.000 1.093 341 I CA 2.053 63.400 61.300 0.079 0.000 1.355 341 I CB -0.656 37.391 38.000 0.078 0.000 1.046 341 I HN 0.294 nan 8.210 nan 0.000 0.413 342 S N -0.121 115.598 115.700 0.032 0.000 2.402 342 S HA -0.173 4.296 4.470 -0.001 0.000 0.229 342 S C 2.152 176.769 174.600 0.028 0.000 1.021 342 S CA 1.569 59.785 58.200 0.026 0.000 0.974 342 S CB -0.236 62.973 63.200 0.015 0.000 0.800 342 S HN 0.436 nan 8.310 nan 0.000 0.484 343 S N 1.243 116.959 115.700 0.026 0.000 2.383 343 S HA 0.036 4.506 4.470 -0.001 0.000 0.227 343 S C 1.734 176.352 174.600 0.030 0.000 1.026 343 S CA 0.705 58.919 58.200 0.024 0.000 0.981 343 S CB -0.409 62.802 63.200 0.018 0.000 0.818 343 S HN 0.472 nan 8.310 nan 0.000 0.472 344 I N 1.149 121.744 120.570 0.042 0.000 2.286 344 I HA -0.100 4.070 4.170 -0.001 0.000 0.248 344 I C 2.611 178.753 176.117 0.043 0.000 1.115 344 I CA 1.131 62.458 61.300 0.045 0.000 1.392 344 I CB -0.800 37.237 38.000 0.062 0.000 1.065 344 I HN 0.410 nan 8.210 nan 0.000 0.418 345 G N 0.823 109.651 108.800 0.047 0.000 2.422 345 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.218 345 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.218 345 G C 1.714 176.632 174.900 0.029 0.000 1.140 345 G CA 0.146 45.271 45.100 0.041 0.000 0.775 345 G HN 0.320 nan 8.290 nan 0.000 0.545 346 R N 0.574 121.090 120.500 0.025 0.000 2.313 346 R HA 0.350 4.690 4.340 -0.001 0.000 0.199 346 R C 1.302 177.612 176.300 0.017 0.000 0.958 346 R CA 0.179 56.290 56.100 0.019 0.000 1.047 346 R CB 0.047 30.358 30.300 0.017 0.000 0.955 346 R HN 0.344 nan 8.270 nan 0.000 0.481 347 A N 0.882 123.714 122.820 0.019 0.000 2.292 347 A HA 0.098 4.418 4.320 -0.001 0.000 0.265 347 A C 1.502 179.095 177.584 0.015 0.000 1.133 347 A CA -0.408 51.638 52.037 0.016 0.000 0.807 347 A CB 0.260 19.270 19.000 0.018 0.000 1.102 347 A HN 0.188 nan 8.150 nan 0.000 0.502 348 L N -0.540 120.690 121.223 0.012 0.000 1.963 348 L HA -0.193 4.146 4.340 -0.001 0.000 0.220 348 L C 0.659 177.536 176.870 0.011 0.000 1.076 348 L CA 2.004 56.850 54.840 0.010 0.000 0.772 348 L CB -0.148 41.916 42.059 0.009 0.000 0.892 348 L HN 0.713 nan 8.230 nan 0.000 0.435 349 D N -1.253 119.154 120.400 0.011 0.000 3.008 349 D HA 0.114 4.753 4.640 -0.001 0.000 0.312 349 D C 1.300 177.610 176.300 0.016 0.000 1.361 349 D CA 0.571 54.578 54.000 0.012 0.000 0.858 349 D CB 0.704 41.510 40.800 0.009 0.000 1.098 349 D HN 0.338 nan 8.370 nan 0.000 0.482 350 G N 1.807 110.619 108.800 0.019 0.000 2.529 350 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.219 350 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.219 350 G C 1.621 176.540 174.900 0.033 0.000 1.177 350 G CA 0.696 45.812 45.100 0.026 0.000 0.773 350 G HN 0.243 nan 8.290 nan 0.000 0.573 351 K N 0.409 120.828 120.400 0.031 0.000 2.063 351 K HA -0.117 4.202 4.320 -0.001 0.000 0.208 351 K C 2.213 178.834 176.600 0.035 0.000 1.048 351 K CA 1.588 57.896 56.287 0.036 0.000 0.928 351 K CB -0.246 32.272 32.500 0.029 0.000 0.713 351 K HN 0.246 nan 8.250 nan 0.000 0.442 352 D N 0.464 120.879 120.400 0.024 0.000 2.117 352 D HA -0.118 4.521 4.640 -0.001 0.000 0.198 352 D C 1.968 178.277 176.300 0.015 0.000 0.982 352 D CA 0.752 54.763 54.000 0.018 0.000 0.828 352 D CB -0.276 40.531 40.800 0.011 0.000 0.967 352 D HN -0.089 nan 8.370 nan 0.000 0.464 353 V N 0.713 120.635 119.914 0.013 0.000 2.261 353 V HA -0.214 3.905 4.120 -0.001 0.000 0.246 353 V C 2.515 178.609 176.094 0.002 0.000 1.047 353 V CA 1.281 63.582 62.300 0.001 0.000 1.015 353 V CB -0.537 31.288 31.823 0.003 0.000 0.642 353 V HN 0.224 nan 8.190 nan 0.000 0.446 354 L N 0.302 121.550 121.223 0.041 0.000 2.127 354 L HA -0.131 4.209 4.340 -0.001 0.000 0.211 354 L C 2.562 179.498 176.870 0.110 0.000 1.089 354 L CA 1.582 56.483 54.840 0.103 0.000 0.757 354 L CB -1.022 41.130 42.059 0.154 0.000 0.899 354 L HN 0.503 nan 8.230 nan 0.000 0.434 355 G N -0.007 108.834 108.800 0.068 0.000 2.418 355 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.217 355 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.217 355 G C 1.530 176.450 174.900 0.033 0.000 1.158 355 G CA 0.529 45.666 45.100 0.061 0.000 0.771 355 G HN 0.301 nan 8.290 nan 0.000 0.545 356 L N 0.561 121.781 121.223 -0.004 0.000 2.492 356 L HA 0.079 4.418 4.340 -0.001 0.000 0.223 356 L C 2.781 179.593 176.870 -0.096 0.000 1.132 356 L CA 0.746 55.566 54.840 -0.035 0.000 0.850 356 L CB -0.029 42.010 42.059 -0.034 0.000 0.966 356 L HN 0.126 nan 8.230 nan 0.000 0.454 357 T N -0.723 113.732 114.554 -0.165 0.000 2.978 357 T HA 0.080 4.429 4.350 -0.001 0.000 0.262 357 T C 0.277 174.584 174.700 -0.655 0.000 1.063 357 T CA 0.858 62.703 62.100 -0.426 0.000 1.140 357 T CB 0.016 68.550 68.868 -0.557 0.000 0.886 357 T HN -0.078 nan 8.240 nan 0.000 0.470 358 F N -0.082 119.872 119.950 0.008 0.000 2.639 358 F HA 0.498 5.024 4.527 -0.001 0.000 0.339 358 F C 1.513 177.316 175.800 0.005 0.000 1.071 358 F CA -1.235 56.769 58.000 0.007 0.000 0.994 358 F CB 1.082 40.087 39.000 0.008 0.000 1.341 358 F HN -0.259 nan 8.300 nan 0.000 0.498 359 S N 0.265 116.104 115.700 0.233 0.000 2.348 359 S HA -0.011 4.459 4.470 -0.001 0.000 0.221 359 S C 1.221 175.882 174.600 0.102 0.000 1.033 359 S CA 1.109 59.380 58.200 0.120 0.000 1.010 359 S CB -0.600 62.655 63.200 0.091 0.000 0.891 359 S HN 0.834 nan 8.310 nan 0.000 0.442 360 G N 1.574 110.440 108.800 0.110 0.000 2.716 360 G HA2 0.324 4.284 3.960 -0.001 0.000 0.251 360 G HA3 0.324 4.284 3.960 -0.001 0.000 0.251 360 G C 0.179 175.128 174.900 0.081 0.000 1.224 360 G CA -0.048 45.095 45.100 0.073 0.000 0.891 360 G HN 0.524 nan 8.290 nan 0.000 0.561 361 S N -0.941 114.791 115.700 0.054 0.000 2.645 361 S HA 0.456 4.926 4.470 -0.001 0.000 0.266 361 S C 1.687 176.323 174.600 0.059 0.000 1.258 361 S CA 0.096 58.325 58.200 0.050 0.000 0.990 361 S CB 1.300 64.519 63.200 0.032 0.000 0.967 361 S HN 1.023 nan 8.310 nan 0.000 0.556 362 G N -0.025 108.808 108.800 0.056 0.000 2.422 362 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.218 362 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.218 362 G C 0.879 175.803 174.900 0.041 0.000 1.140 362 G CA 0.852 45.987 45.100 0.060 0.000 0.775 362 G HN 0.788 nan 8.290 nan 0.000 0.545 363 D N 0.041 120.458 120.400 0.029 0.000 2.117 363 D HA -0.029 4.611 4.640 -0.001 0.000 0.197 363 D C 2.470 178.778 176.300 0.013 0.000 0.987 363 D CA 0.956 54.967 54.000 0.019 0.000 0.829 363 D CB 0.057 40.866 40.800 0.015 0.000 0.961 363 D HN 0.426 nan 8.370 nan 0.000 0.460 364 E N -0.368 119.841 120.200 0.014 0.000 2.031 364 E HA -0.157 4.192 4.350 -0.001 0.000 0.193 364 E C 2.326 178.920 176.600 -0.011 0.000 0.994 364 E CA 1.282 57.684 56.400 0.003 0.000 0.800 364 E CB -0.069 29.636 29.700 0.007 0.000 0.752 364 E HN 0.277 nan 8.360 nan 0.000 0.447 365 V N -0.435 119.476 119.914 -0.006 0.000 2.626 365 V HA -0.203 3.917 4.120 -0.001 0.000 0.252 365 V C 2.094 178.165 176.094 -0.037 0.000 1.067 365 V CA 1.471 63.741 62.300 -0.049 0.000 1.081 365 V CB -0.195 31.598 31.823 -0.050 0.000 0.686 365 V HN 0.170 nan 8.190 nan 0.000 0.468 366 M N 0.577 120.176 119.600 -0.002 0.000 2.132 366 M HA -0.013 4.467 4.480 -0.001 0.000 0.263 366 M C 2.140 178.436 176.300 -0.008 0.000 1.065 366 M CA 1.859 57.161 55.300 0.002 0.000 1.122 366 M CB -0.681 31.928 32.600 0.015 0.000 1.365 366 M HN 0.284 nan 8.290 nan 0.000 0.411 367 K N -0.671 119.723 120.400 -0.009 0.000 2.148 367 K HA -0.134 4.186 4.320 -0.001 0.000 0.204 367 K C 1.891 178.478 176.600 -0.021 0.000 1.050 367 K CA 1.157 57.438 56.287 -0.011 0.000 0.942 367 K CB -0.530 31.965 32.500 -0.008 0.000 0.724 367 K HN 0.272 nan 8.250 nan 0.000 0.446 368 L N 1.733 122.935 121.223 -0.035 0.000 1.976 368 L HA -0.172 4.168 4.340 -0.001 0.000 0.209 368 L C 1.927 178.767 176.870 -0.050 0.000 1.071 368 L CA 1.578 56.388 54.840 -0.051 0.000 0.746 368 L CB -0.486 41.523 42.059 -0.083 0.000 0.890 368 L HN 0.055 nan 8.230 nan 0.000 0.432 369 I N 0.594 121.130 120.570 -0.055 0.000 2.479 369 I HA -0.304 3.865 4.170 -0.001 0.000 0.258 369 I C 1.824 177.927 176.117 -0.025 0.000 1.165 369 I CA 1.199 62.472 61.300 -0.044 0.000 1.422 369 I CB -1.547 36.431 38.000 -0.036 0.000 1.087 369 I HN 0.501 nan 8.210 nan 0.000 0.441 370 N N 0.595 119.284 118.700 -0.018 0.000 2.412 370 N HA -0.044 4.696 4.740 -0.001 0.000 0.184 370 N C 1.531 177.037 175.510 -0.007 0.000 1.101 370 N CA 0.235 53.280 53.050 -0.009 0.000 0.881 370 N CB 0.225 38.710 38.487 -0.004 0.000 0.969 370 N HN 0.470 nan 8.380 nan 0.000 0.459 371 K N 0.451 120.844 120.400 -0.013 0.000 2.217 371 K HA -0.087 4.232 4.320 -0.001 0.000 0.202 371 K C 0.751 177.347 176.600 -0.007 0.000 1.051 371 K CA 0.539 56.819 56.287 -0.011 0.000 0.952 371 K CB 0.082 32.572 32.500 -0.016 0.000 0.736 371 K HN 0.024 nan 8.250 nan 0.000 0.453 372 Q N 1.014 120.809 119.800 -0.008 0.000 2.361 372 Q HA 0.037 4.377 4.340 -0.001 0.000 0.250 372 Q C 0.351 176.358 176.000 0.010 0.000 1.023 372 Q CA -0.116 55.685 55.803 -0.003 0.000 0.915 372 Q CB 1.115 29.847 28.738 -0.010 0.000 1.238 372 Q HN 0.119 nan 8.270 nan 0.000 0.451 373 S N 1.572 117.283 115.700 0.019 0.000 2.489 373 S HA 0.133 4.603 4.470 -0.001 0.000 0.228 373 S C 1.039 175.669 174.600 0.049 0.000 0.995 373 S CA -0.001 58.218 58.200 0.032 0.000 0.934 373 S CB -0.134 63.087 63.200 0.035 0.000 0.771 373 S HN 0.639 nan 8.310 nan 0.000 0.522 374 G N 0.715 109.547 108.800 0.053 0.000 2.667 374 G HA2 0.473 4.432 3.960 -0.001 0.000 0.250 374 G HA3 0.473 4.432 3.960 -0.001 0.000 0.250 374 G C -0.725 174.226 174.900 0.085 0.000 1.212 374 G CA -0.451 44.698 45.100 0.082 0.000 0.874 374 G HN 0.307 nan 8.290 nan 0.000 0.561 375 S N -0.541 115.236 115.700 0.129 0.000 2.614 375 S HA 0.503 4.973 4.470 -0.001 0.000 0.288 375 S C -0.416 174.330 174.600 0.243 0.000 1.137 375 S CA -0.376 57.929 58.200 0.176 0.000 0.992 375 S CB 1.239 64.549 63.200 0.183 0.000 1.026 375 S HN 0.671 nan 8.310 nan 0.000 0.486 376 Y N 0.682 120.897 120.300 -0.141 0.000 2.728 376 Y HA -0.347 4.203 4.550 -0.001 0.000 0.481 376 Y C 0.022 175.568 175.900 -0.590 0.000 1.108 376 Y CA 1.773 59.620 58.100 -0.421 0.000 2.921 376 Y CB -1.141 36.906 38.460 -0.688 0.000 1.016 376 Y HN 0.681 nan 8.280 nan 0.000 0.580 377 F N -0.079 119.943 119.950 0.120 0.000 2.421 377 F HA 0.596 5.123 4.527 -0.001 0.000 0.337 377 F C 0.211 176.056 175.800 0.076 0.000 1.105 377 F CA -0.945 57.104 58.000 0.082 0.000 1.049 377 F CB 1.524 40.571 39.000 0.078 0.000 1.139 377 F HN -0.192 nan 8.300 nan 0.000 0.479 378 V N 1.733 121.715 119.914 0.113 0.000 3.102 378 V HA 0.305 4.424 4.120 -0.001 0.000 0.312 378 V C -1.062 174.756 176.094 -0.461 0.000 1.135 378 V CA -0.861 61.335 62.300 -0.173 0.000 1.022 378 V CB 2.498 34.279 31.823 -0.069 0.000 1.056 378 V HN 0.696 nan 8.190 nan 0.000 0.436 379 D N 2.477 122.398 120.400 -0.797 0.000 2.308 379 D HA 0.545 5.185 4.640 -0.001 0.000 0.251 379 D C -0.090 176.121 176.300 -0.147 0.000 1.127 379 D CA 0.255 53.870 54.000 -0.641 0.000 0.876 379 D CB 1.809 42.185 40.800 -0.707 0.000 1.176 379 D HN 0.729 nan 8.370 nan 0.000 0.446 380 A N 4.131 127.016 122.820 0.108 0.000 3.165 380 A HA 0.175 4.495 4.320 -0.001 0.000 0.212 380 A C -0.474 177.210 177.584 0.167 0.000 0.935 380 A CA -0.508 51.584 52.037 0.093 0.000 1.100 380 A CB -0.254 18.779 19.000 0.054 0.000 1.260 380 A HN 0.579 nan 8.150 nan 0.000 0.532 381 H N 0.000 119.067 119.070 -0.005 0.000 2.539 381 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 381 H CA 0.000 56.062 56.048 0.023 0.000 1.023 381 H CB 0.000 29.789 29.762 0.046 0.000 1.292 381 H HN 0.000 nan 8.280 nan 0.000 0.496