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 2wdf_1_A DATA FIRST_RESID 30 DATA SEQUENCE SLYDLPPYGD ATLLYFSDLH GQAFPHYFME PPNLIAPKPL MGRPGYLTGE DATA SEQUENCE AILRYYGVER GTPLAYLLSY VDFVELARTF GPIGGMGALT ALIRDQKARV DATA SEQUENCE EAEGGKALVL DGGDTWTNSG LSLLTRGEAV VRWQNLVGVD HMVSHWEWTL DATA SEQUENCE GRERVEELLG LFRGEFLSYN IVDDLFGDPL FPAYRIHRVG PYALAVVGAS DATA SEQUENCE YPYVKVSHPE SFTEGLSFAL DERRLQEAVD KARAEGANAV VLLSHNGMQL DATA SEQUENCE DAALAERIRG IDLILSGHTH DLTPRPWRVG KTWIVAGSAA GKALMRVDLK DATA SEQUENCE LWKGGIANLR VRVLPVLAEH LPKAEDVEAF LKAQLAPHQD HLFTPLAVSE DATA SEQUENCE TLLYKRDTLY STWDQLVGEA VKAIYPEVEV VFSPAVRWGT TILPGQAITW DATA SEQUENCE DHLYAYTGFT YPELYLFYLR GAQIKAVLED IASNVFTSDP FYQQGGDVSR DATA SEQUENCE VFGLRYVLDP DAPTGERVRE VEVGGRPLDP NRRYLAAAYG GRLQRVGEAK DATA SEQUENCE PGYEPRPIYE VLAEYLRSVG RVRVRPEPNV KVIGRNYRLP EVTG 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 30 S HA 0.000 nan 4.470 nan 0.000 0.327 30 S C 0.000 174.487 174.600 -0.188 0.000 1.055 30 S CA 0.000 58.133 58.200 -0.111 0.000 1.107 30 S CB 0.000 63.179 63.200 -0.036 0.000 0.593 31 L N 1.081 122.076 121.223 -0.381 0.000 2.141 31 L HA -0.011 4.334 4.340 0.007 0.000 0.209 31 L C 1.557 178.175 176.870 -0.420 0.000 1.094 31 L CA 2.060 56.606 54.840 -0.491 0.000 0.763 31 L CB -1.418 40.191 42.059 -0.751 0.000 0.908 31 L HN 0.762 nan 8.230 nan 0.000 0.437 32 Y N -1.064 119.225 120.300 -0.019 0.000 2.517 32 Y HA 0.097 4.650 4.550 0.005 0.000 0.281 32 Y C 0.865 176.764 175.900 -0.001 0.000 1.125 32 Y CA -1.087 57.009 58.100 -0.007 0.000 1.283 32 Y CB -0.368 38.094 38.460 0.002 0.000 1.042 32 Y HN 0.064 nan 8.280 nan 0.000 0.547 33 D N 1.177 121.626 120.400 0.083 0.000 2.453 33 D HA 0.325 4.969 4.640 0.007 0.000 0.223 33 D C -0.987 175.332 176.300 0.032 0.000 1.183 33 D CA 0.250 54.286 54.000 0.060 0.000 0.933 33 D CB -0.178 40.647 40.800 0.041 0.000 1.038 33 D HN 0.088 nan 8.370 nan 0.000 0.513 34 L N 4.856 126.105 121.223 0.043 0.000 2.365 34 L HA 0.543 4.888 4.340 0.007 0.000 0.273 34 L C -1.885 175.011 176.870 0.044 0.000 1.000 34 L CA -1.905 52.953 54.840 0.031 0.000 0.819 34 L CB 2.069 44.143 42.059 0.025 0.000 1.284 34 L HN 0.242 nan 8.230 nan 0.000 0.418 35 P HA 0.258 nan 4.420 nan 0.000 0.272 35 P C -2.666 174.685 177.300 0.086 0.000 1.230 35 P CA -1.252 61.883 63.100 0.059 0.000 0.788 35 P CB -0.292 31.444 31.700 0.059 0.000 0.949 36 P HA 0.185 nan 4.420 nan 0.000 0.270 36 P C -1.175 176.228 177.300 0.171 0.000 1.223 36 P CA 0.342 63.503 63.100 0.102 0.000 0.785 36 P CB 0.172 31.910 31.700 0.063 0.000 0.923 37 Y N 0.248 120.559 120.300 0.019 0.000 2.357 37 Y HA 0.435 4.989 4.550 0.006 0.000 0.319 37 Y C 0.081 175.995 175.900 0.023 0.000 1.225 37 Y CA 0.410 58.520 58.100 0.017 0.000 1.095 37 Y CB 1.003 39.467 38.460 0.007 0.000 1.302 37 Y HN 0.929 nan 8.280 nan 0.000 0.429 38 G N 4.522 113.212 108.800 -0.184 0.000 2.796 38 G HA2 -0.224 3.741 3.960 0.007 0.000 0.571 38 G HA3 -0.224 3.741 3.960 0.007 0.000 0.571 38 G C -0.159 174.766 174.900 0.042 0.000 1.370 38 G CA 0.027 45.108 45.100 -0.032 0.000 0.856 38 G HN 0.663 nan 8.290 nan 0.000 0.538 39 D N 0.399 120.844 120.400 0.074 0.000 2.271 39 D HA 0.380 5.025 4.640 0.007 0.000 0.206 39 D C 1.272 177.630 176.300 0.097 0.000 0.967 39 D CA 1.586 55.648 54.000 0.103 0.000 0.867 39 D CB 0.440 41.341 40.800 0.168 0.000 0.960 39 D HN 1.067 nan 8.370 nan 0.000 0.509 40 A N 0.083 122.959 122.820 0.093 0.000 2.515 40 A HA 0.600 4.925 4.320 0.007 0.000 0.298 40 A C -0.801 176.828 177.584 0.076 0.000 1.059 40 A CA -0.469 51.613 52.037 0.076 0.000 0.698 40 A CB 2.025 21.064 19.000 0.065 0.000 1.289 40 A HN -0.113 nan 8.150 nan 0.000 0.404 41 T N 2.176 116.765 114.554 0.058 0.000 2.848 41 T HA 0.566 4.921 4.350 0.007 0.000 0.285 41 T C -0.706 174.019 174.700 0.041 0.000 0.995 41 T CA -0.214 61.921 62.100 0.057 0.000 0.970 41 T CB 0.670 69.576 68.868 0.062 0.000 0.976 41 T HN 0.465 nan 8.240 nan 0.000 0.441 42 L N 4.036 125.285 121.223 0.044 0.000 2.296 42 L HA 0.550 4.894 4.340 0.007 0.000 0.286 42 L C -0.528 176.401 176.870 0.098 0.000 1.023 42 L CA -0.847 54.022 54.840 0.049 0.000 0.812 42 L CB 1.090 43.163 42.059 0.024 0.000 1.223 42 L HN 0.399 nan 8.230 nan 0.000 0.421 43 L N 4.612 125.907 121.223 0.120 0.000 2.277 43 L HA 0.387 4.732 4.340 0.007 0.000 0.284 43 L C -0.966 176.061 176.870 0.261 0.000 1.028 43 L CA -0.495 54.447 54.840 0.169 0.000 0.835 43 L CB 0.702 42.843 42.059 0.136 0.000 1.215 43 L HN 0.454 nan 8.230 nan 0.000 0.425 44 Y N 5.797 126.169 120.300 0.121 0.000 2.376 44 Y HA 0.688 5.242 4.550 0.007 0.000 0.340 44 Y C -0.990 175.031 175.900 0.201 0.000 0.965 44 Y CA -1.624 56.532 58.100 0.093 0.000 1.078 44 Y CB 1.448 39.932 38.460 0.040 0.000 1.193 44 Y HN 0.387 nan 8.280 nan 0.000 0.452 45 F N 2.123 121.852 119.950 -0.368 0.000 2.643 45 F HA 0.873 5.404 4.527 0.007 0.000 0.314 45 F C -1.090 174.428 175.800 -0.470 0.000 1.096 45 F CA -0.972 56.749 58.000 -0.465 0.000 0.953 45 F CB 1.793 40.720 39.000 -0.122 0.000 1.345 45 F HN 0.475 nan 8.300 nan 0.000 0.468 46 S N -0.138 115.439 115.700 -0.205 0.000 2.565 46 S HA 0.371 4.846 4.470 0.007 0.000 0.269 46 S C -1.479 173.148 174.600 0.045 0.000 1.153 46 S CA -0.460 57.676 58.200 -0.107 0.000 0.835 46 S CB 1.137 64.279 63.200 -0.098 0.000 1.122 46 S HN 0.941 nan 8.310 nan 0.000 0.462 47 D N 1.305 121.753 120.400 0.080 0.000 2.723 47 D HA -0.159 4.486 4.640 0.007 0.000 0.236 47 D C 0.668 176.998 176.300 0.050 0.000 1.138 47 D CA 0.631 54.663 54.000 0.054 0.000 0.676 47 D CB -0.758 40.024 40.800 -0.030 0.000 1.069 47 D HN 0.440 nan 8.370 nan 0.000 0.430 48 L N 0.629 121.880 121.223 0.048 0.000 2.131 48 L HA -0.115 4.229 4.340 0.007 0.000 0.210 48 L C 1.098 177.937 176.870 -0.052 0.000 1.092 48 L CA 1.960 56.806 54.840 0.009 0.000 0.759 48 L CB -0.314 41.766 42.059 0.036 0.000 0.903 48 L HN 0.338 nan 8.230 nan 0.000 0.435 49 H N -0.598 118.373 119.070 -0.164 0.000 2.677 49 H HA -0.173 4.387 4.556 0.007 0.000 0.321 49 H C 1.414 176.549 175.328 -0.322 0.000 1.171 49 H CA 0.664 56.523 56.048 -0.316 0.000 1.139 49 H CB -1.714 27.806 29.762 -0.404 0.000 1.515 49 H HN 0.624 nan 8.280 nan 0.000 0.423 50 G N 0.818 109.504 108.800 -0.190 0.000 2.244 50 G HA2 -0.360 3.604 3.960 0.007 0.000 0.274 50 G HA3 -0.360 3.604 3.960 0.007 0.000 0.274 50 G C 0.432 175.163 174.900 -0.281 0.000 1.002 50 G CA 0.649 45.626 45.100 -0.205 0.000 0.740 50 G HN 0.518 nan 8.290 nan 0.000 0.516 51 Q N -0.272 119.337 119.800 -0.318 0.000 2.359 51 Q HA 0.489 4.833 4.340 0.007 0.000 0.249 51 Q C 1.493 177.223 176.000 -0.449 0.000 1.181 51 Q CA 0.554 56.123 55.803 -0.391 0.000 0.897 51 Q CB 0.617 29.067 28.738 -0.480 0.000 1.424 51 Q HN 0.559 nan 8.270 nan 0.000 0.478 52 A N 3.077 125.590 122.820 -0.511 0.000 2.016 52 A HA 0.067 4.391 4.320 0.007 0.000 0.217 52 A C 0.277 177.290 177.584 -0.952 0.000 1.162 52 A CA 0.774 52.310 52.037 -0.835 0.000 0.662 52 A CB 0.266 18.633 19.000 -1.055 0.000 0.812 52 A HN 0.488 nan 8.150 nan 0.000 0.450 53 F N -1.160 118.682 119.950 -0.181 0.000 2.556 53 F HA 0.511 5.042 4.527 0.007 0.000 0.327 53 F C -2.468 173.285 175.800 -0.079 0.000 1.059 53 F CA -2.966 54.953 58.000 -0.135 0.000 0.953 53 F CB 0.902 39.826 39.000 -0.127 0.000 1.227 53 F HN -0.225 nan 8.300 nan 0.000 0.478 54 P HA 0.127 nan 4.420 nan 0.000 0.265 54 P C -1.220 176.120 177.300 0.067 0.000 1.193 54 P CA 0.530 63.654 63.100 0.041 0.000 0.765 54 P CB 0.129 31.814 31.700 -0.024 0.000 0.823 55 H N -0.128 118.822 119.070 -0.200 0.000 2.905 55 H HA 0.587 5.148 4.556 0.007 0.000 0.280 55 H C -1.445 173.683 175.328 -0.333 0.000 1.445 55 H CA -0.956 54.955 56.048 -0.230 0.000 1.165 55 H CB 0.466 30.195 29.762 -0.055 0.000 1.857 55 H HN 0.181 nan 8.280 nan 0.000 0.567 56 Y N 0.091 120.405 120.300 0.024 0.000 2.387 56 Y HA 0.485 5.040 4.550 0.007 0.000 0.336 56 Y C -1.030 174.957 175.900 0.144 0.000 1.067 56 Y CA -0.911 57.274 58.100 0.142 0.000 1.114 56 Y CB 1.766 40.447 38.460 0.368 0.000 1.208 56 Y HN 0.558 nan 8.280 nan 0.000 0.458 57 F N 4.623 124.633 119.950 0.100 0.000 3.051 57 F HA 0.354 4.885 4.527 0.007 0.000 0.363 57 F C -0.907 174.840 175.800 -0.089 0.000 1.257 57 F CA -0.794 57.184 58.000 -0.037 0.000 1.126 57 F CB 0.924 39.845 39.000 -0.131 0.000 1.476 57 F HN 0.467 nan 8.300 nan 0.000 0.576 58 M N 4.975 124.319 119.600 -0.427 0.000 2.216 58 M HA 0.287 4.772 4.480 0.007 0.000 0.356 58 M C -0.026 175.942 176.300 -0.554 0.000 1.205 58 M CA -0.340 54.486 55.300 -0.791 0.000 1.122 58 M CB 0.802 32.605 32.600 -1.329 0.000 1.571 58 M HN 0.460 nan 8.290 nan 0.000 0.464 59 E N 5.138 125.124 120.200 -0.356 0.000 2.408 59 E HA 0.249 4.604 4.350 0.007 0.000 0.259 59 E C -2.348 174.138 176.600 -0.190 0.000 1.110 59 E CA -1.477 54.775 56.400 -0.247 0.000 0.929 59 E CB -0.125 29.508 29.700 -0.113 0.000 0.971 59 E HN 0.454 nan 8.360 nan 0.000 0.438 60 P HA 0.087 nan 4.420 nan 0.000 0.271 60 P C -2.258 174.968 177.300 -0.122 0.000 1.218 60 P CA -1.265 61.767 63.100 -0.113 0.000 0.780 60 P CB 0.342 32.008 31.700 -0.057 0.000 0.901 61 P HA 0.004 nan 4.420 nan 0.000 0.222 61 P C 0.044 177.125 177.300 -0.364 0.000 1.153 61 P CA 1.406 64.060 63.100 -0.744 0.000 0.798 61 P CB 0.283 31.429 31.700 -0.924 0.000 0.796 62 N N -0.390 118.191 118.700 -0.199 0.000 2.225 62 N HA 0.362 5.107 4.740 0.007 0.000 0.298 62 N C -1.014 174.523 175.510 0.045 0.000 1.076 62 N CA -0.474 52.527 53.050 -0.081 0.000 0.792 62 N CB 2.334 40.752 38.487 -0.116 0.000 1.498 62 N HN -0.121 nan 8.380 nan 0.000 0.474 63 L N 2.776 124.060 121.223 0.102 0.000 2.480 63 L HA 0.455 4.799 4.340 0.007 0.000 0.253 63 L C -0.484 176.567 176.870 0.302 0.000 1.324 63 L CA -0.382 54.560 54.840 0.170 0.000 0.916 63 L CB 0.786 42.905 42.059 0.100 0.000 1.160 63 L HN 0.423 nan 8.230 nan 0.000 0.503 64 I N 1.937 122.700 120.570 0.321 0.000 2.598 64 I HA 0.246 4.421 4.170 0.007 0.000 0.284 64 I C 0.805 177.165 176.117 0.405 0.000 1.140 64 I CA 0.513 62.013 61.300 0.333 0.000 1.420 64 I CB 1.013 39.214 38.000 0.335 0.000 1.387 64 I HN 0.486 nan 8.210 nan 0.000 0.553 65 A N 8.851 131.761 122.820 0.151 0.000 2.356 65 A HA 0.837 5.161 4.320 0.007 0.000 0.323 65 A C -2.565 175.002 177.584 -0.028 0.000 1.119 65 A CA -1.728 50.243 52.037 -0.110 0.000 0.790 65 A CB 1.023 19.597 19.000 -0.710 0.000 1.273 65 A HN 0.444 nan 8.150 nan 0.000 0.452 66 P HA 0.161 nan 4.420 nan 0.000 0.272 66 P C 0.264 177.535 177.300 -0.049 0.000 1.223 66 P CA -0.152 62.953 63.100 0.008 0.000 0.784 66 P CB 0.833 32.580 31.700 0.078 0.000 0.923 67 K N 2.089 122.469 120.400 -0.033 0.000 2.071 67 K HA -0.186 4.138 4.320 0.007 0.000 0.217 67 K C -0.670 175.916 176.600 -0.023 0.000 1.054 67 K CA 2.423 58.693 56.287 -0.028 0.000 0.937 67 K CB -1.793 30.699 32.500 -0.013 0.000 0.719 67 K HN 0.508 nan 8.250 nan 0.000 0.454 68 P HA -0.150 nan 4.420 nan 0.000 0.221 68 P C 0.745 178.049 177.300 0.006 0.000 1.145 68 P CA 1.238 64.347 63.100 0.016 0.000 0.795 68 P CB 0.092 31.815 31.700 0.038 0.000 0.775 69 L N -3.186 117.998 121.223 -0.065 0.000 2.640 69 L HA 0.218 4.562 4.340 0.007 0.000 0.230 69 L C 1.096 177.851 176.870 -0.191 0.000 1.123 69 L CA -0.317 54.445 54.840 -0.129 0.000 0.900 69 L CB -0.330 41.553 42.059 -0.293 0.000 1.146 69 L HN -0.012 nan 8.230 nan 0.000 0.484 70 M N 0.066 119.586 119.600 -0.134 0.000 2.250 70 M HA 0.084 4.568 4.480 0.007 0.000 0.337 70 M C 1.411 177.706 176.300 -0.007 0.000 1.161 70 M CA 1.419 56.672 55.300 -0.079 0.000 1.088 70 M CB 0.344 32.919 32.600 -0.041 0.000 1.639 70 M HN 0.285 nan 8.290 nan 0.000 0.447 71 G N 2.061 110.867 108.800 0.010 0.000 2.179 71 G HA2 -0.254 3.711 3.960 0.007 0.000 0.260 71 G HA3 -0.254 3.711 3.960 0.007 0.000 0.260 71 G C 0.097 174.960 174.900 -0.062 0.000 0.977 71 G CA 0.047 45.148 45.100 0.002 0.000 0.641 71 G HN 0.632 nan 8.290 nan 0.000 0.533 72 R N 0.581 121.058 120.500 -0.038 0.000 2.532 72 R HA 0.506 4.850 4.340 0.007 0.000 0.272 72 R C -2.379 173.657 176.300 -0.439 0.000 1.032 72 R CA -1.955 54.040 56.100 -0.174 0.000 1.089 72 R CB 0.731 31.072 30.300 0.068 0.000 1.098 72 R HN 0.027 nan 8.270 nan 0.000 0.526 73 P HA 0.008 nan 4.420 nan 0.000 0.265 73 P C 0.248 177.213 177.300 -0.558 0.000 1.193 73 P CA 0.980 63.604 63.100 -0.793 0.000 0.765 73 P CB 0.755 31.828 31.700 -1.044 0.000 0.823 74 G N 1.658 110.238 108.800 -0.366 0.000 2.213 74 G HA2 -0.276 3.688 3.960 0.007 0.000 0.226 74 G HA3 -0.276 3.688 3.960 0.007 0.000 0.226 74 G C 0.182 174.687 174.900 -0.658 0.000 0.992 74 G CA -0.250 44.593 45.100 -0.430 0.000 0.632 74 G HN 0.492 nan 8.290 nan 0.000 0.511 75 Y N 0.281 120.513 120.300 -0.114 0.000 2.738 75 Y HA 0.567 5.122 4.550 0.007 0.000 0.249 75 Y C 0.790 176.642 175.900 -0.081 0.000 1.157 75 Y CA -0.571 57.493 58.100 -0.060 0.000 1.189 75 Y CB 0.523 38.962 38.460 -0.035 0.000 1.262 75 Y HN 0.197 nan 8.280 nan 0.000 0.554 76 L N 1.192 122.390 121.223 -0.040 0.000 2.307 76 L HA 0.704 5.048 4.340 0.007 0.000 0.284 76 L C 0.274 177.145 176.870 0.002 0.000 1.023 76 L CA -0.476 54.333 54.840 -0.051 0.000 0.810 76 L CB 1.702 43.655 42.059 -0.178 0.000 1.231 76 L HN 0.125 nan 8.230 nan 0.000 0.423 77 T N -1.033 113.546 114.554 0.041 0.000 2.804 77 T HA 0.786 5.141 4.350 0.007 0.000 0.290 77 T C 0.507 175.251 174.700 0.073 0.000 1.099 77 T CA -0.095 62.057 62.100 0.087 0.000 1.011 77 T CB 1.557 70.514 68.868 0.148 0.000 1.291 77 T HN 0.911 nan 8.240 nan 0.000 0.523 78 G N 1.278 110.094 108.800 0.028 0.000 2.652 78 G HA2 -0.343 3.622 3.960 0.007 0.000 0.318 78 G HA3 -0.343 3.622 3.960 0.007 0.000 0.318 78 G C 0.624 175.405 174.900 -0.199 0.000 1.295 78 G CA 1.160 46.056 45.100 -0.338 0.000 0.999 78 G HN 0.981 nan 8.290 nan 0.000 0.548 79 E N 0.588 120.707 120.200 -0.136 0.000 2.106 79 E HA 0.234 4.588 4.350 0.007 0.000 0.192 79 E C 2.936 179.529 176.600 -0.012 0.000 0.984 79 E CA 1.988 58.348 56.400 -0.067 0.000 0.806 79 E CB -0.548 29.128 29.700 -0.040 0.000 0.750 79 E HN 0.874 nan 8.360 nan 0.000 0.458 80 A N 1.020 123.844 122.820 0.006 0.000 1.908 80 A HA -0.205 4.119 4.320 0.007 0.000 0.218 80 A C 2.282 179.893 177.584 0.045 0.000 1.181 80 A CA 1.392 53.446 52.037 0.029 0.000 0.627 80 A CB -0.727 18.290 19.000 0.029 0.000 0.818 80 A HN 0.326 nan 8.150 nan 0.000 0.445 81 I N -0.411 120.182 120.570 0.039 0.000 2.286 81 I HA -0.226 3.948 4.170 0.007 0.000 0.248 81 I C 2.194 178.415 176.117 0.174 0.000 1.115 81 I CA 1.115 62.470 61.300 0.091 0.000 1.392 81 I CB -0.058 37.995 38.000 0.089 0.000 1.065 81 I HN 0.355 nan 8.210 nan 0.000 0.418 82 L N 0.044 121.328 121.223 0.101 0.000 2.017 82 L HA -0.199 4.146 4.340 0.007 0.000 0.208 82 L C 2.745 179.678 176.870 0.104 0.000 1.073 82 L CA 1.328 56.230 54.840 0.104 0.000 0.745 82 L CB -0.766 41.318 42.059 0.041 0.000 0.894 82 L HN 0.169 nan 8.230 nan 0.000 0.432 83 R N -0.859 119.682 120.500 0.069 0.000 2.073 83 R HA -0.212 4.132 4.340 0.007 0.000 0.234 83 R C 2.347 178.663 176.300 0.028 0.000 1.134 83 R CA 1.774 57.899 56.100 0.042 0.000 0.952 83 R CB -0.622 29.695 30.300 0.028 0.000 0.850 83 R HN 0.270 nan 8.270 nan 0.000 0.433 84 Y N 0.055 120.284 120.300 -0.118 0.000 2.151 84 Y HA -0.293 4.261 4.550 0.007 0.000 0.284 84 Y C 1.272 176.953 175.900 -0.365 0.000 1.166 84 Y CA 1.689 59.621 58.100 -0.279 0.000 1.163 84 Y CB -0.032 38.172 38.460 -0.425 0.000 0.974 84 Y HN 0.048 nan 8.280 nan 0.000 0.511 85 Y N -0.381 120.027 120.300 0.181 0.000 2.457 85 Y HA 0.283 4.837 4.550 0.007 0.000 0.263 85 Y C 1.671 177.582 175.900 0.020 0.000 1.164 85 Y CA 0.189 58.348 58.100 0.099 0.000 1.274 85 Y CB 0.185 38.723 38.460 0.129 0.000 1.097 85 Y HN 0.176 nan 8.280 nan 0.000 0.523 86 G N 0.793 109.652 108.800 0.098 0.000 2.246 86 G HA2 -0.245 3.720 3.960 0.007 0.000 0.273 86 G HA3 -0.245 3.720 3.960 0.007 0.000 0.273 86 G C -0.376 174.564 174.900 0.066 0.000 1.055 86 G CA 0.217 45.349 45.100 0.053 0.000 0.851 86 G HN 0.121 nan 8.290 nan 0.000 0.500 87 V N 0.554 120.523 119.914 0.092 0.000 2.407 87 V HA 0.316 4.440 4.120 0.007 0.000 0.278 87 V C 0.846 176.966 176.094 0.043 0.000 1.037 87 V CA -0.647 61.692 62.300 0.066 0.000 0.900 87 V CB 1.573 33.444 31.823 0.080 0.000 0.983 87 V HN 0.441 nan 8.190 nan 0.000 0.459 88 E N 3.563 123.780 120.200 0.028 0.000 2.373 88 E HA 0.194 4.548 4.350 0.007 0.000 0.267 88 E C 0.248 176.867 176.600 0.032 0.000 1.032 88 E CA -0.404 56.010 56.400 0.024 0.000 0.889 88 E CB 1.089 30.800 29.700 0.017 0.000 0.984 88 E HN 0.499 nan 8.360 nan 0.000 0.425 89 R N 0.889 121.405 120.500 0.027 0.000 2.643 89 R HA 0.109 4.453 4.340 0.007 0.000 0.270 89 R C 0.768 177.098 176.300 0.050 0.000 1.061 89 R CA 1.121 57.240 56.100 0.032 0.000 1.107 89 R CB 0.220 30.528 30.300 0.013 0.000 0.999 89 R HN 0.771 nan 8.270 nan 0.000 0.460 90 G N 2.005 110.852 108.800 0.078 0.000 2.176 90 G HA2 -0.317 3.648 3.960 0.007 0.000 0.253 90 G HA3 -0.317 3.648 3.960 0.007 0.000 0.253 90 G C 0.170 175.205 174.900 0.225 0.000 0.979 90 G CA 0.546 45.712 45.100 0.110 0.000 0.641 90 G HN 0.879 nan 8.290 nan 0.000 0.530 91 T N -1.965 112.689 114.554 0.167 0.000 2.847 91 T HA 0.630 4.984 4.350 0.007 0.000 0.279 91 T C -0.871 173.829 174.700 0.001 0.000 0.984 91 T CA -0.874 61.290 62.100 0.107 0.000 0.988 91 T CB 2.163 71.036 68.868 0.009 0.000 1.040 91 T HN -0.087 nan 8.240 nan 0.000 0.528 92 P HA -0.026 nan 4.420 nan 0.000 0.217 92 P C 1.639 178.814 177.300 -0.208 0.000 1.150 92 P CA 0.253 62.915 63.100 -0.729 0.000 0.832 92 P CB -0.056 31.177 31.700 -0.778 0.000 0.787 93 L N -0.126 121.011 121.223 -0.145 0.000 2.056 93 L HA -0.038 4.306 4.340 0.007 0.000 0.207 93 L C 2.234 179.098 176.870 -0.011 0.000 1.078 93 L CA 1.878 56.671 54.840 -0.079 0.000 0.749 93 L CB -1.651 40.362 42.059 -0.077 0.000 0.901 93 L HN -0.122 nan 8.230 nan 0.000 0.433 94 A N -1.369 121.473 122.820 0.038 0.000 1.933 94 A HA -0.299 4.026 4.320 0.007 0.000 0.218 94 A C 2.296 179.974 177.584 0.156 0.000 1.175 94 A CA 1.774 53.860 52.037 0.082 0.000 0.628 94 A CB -1.186 17.868 19.000 0.091 0.000 0.814 94 A HN 0.625 nan 8.150 nan 0.000 0.444 95 Y N -0.016 120.330 120.300 0.076 0.000 2.224 95 Y HA -0.123 4.431 4.550 0.007 0.000 0.289 95 Y C 1.741 177.732 175.900 0.153 0.000 1.146 95 Y CA 1.563 59.750 58.100 0.145 0.000 1.182 95 Y CB -0.388 38.204 38.460 0.220 0.000 0.983 95 Y HN 0.182 nan 8.280 nan 0.000 0.524 96 L N -0.859 120.296 121.223 -0.114 0.000 2.131 96 L HA -0.059 4.285 4.340 0.007 0.000 0.206 96 L C 2.202 179.013 176.870 -0.098 0.000 1.087 96 L CA 1.075 55.791 54.840 -0.206 0.000 0.767 96 L CB -0.971 40.999 42.059 -0.148 0.000 0.917 96 L HN 0.312 nan 8.230 nan 0.000 0.441 97 L N -2.271 118.926 121.223 -0.044 0.000 2.341 97 L HA 0.132 4.476 4.340 0.007 0.000 0.214 97 L C 0.924 177.786 176.870 -0.013 0.000 1.115 97 L CA 0.625 55.446 54.840 -0.033 0.000 0.820 97 L CB 0.071 42.118 42.059 -0.020 0.000 0.944 97 L HN 0.215 nan 8.230 nan 0.000 0.452 98 S N -2.925 112.778 115.700 0.005 0.000 2.579 98 S HA 0.245 4.720 4.470 0.007 0.000 0.272 98 S C 0.307 174.912 174.600 0.008 0.000 1.141 98 S CA -0.359 57.824 58.200 -0.029 0.000 0.843 98 S CB 0.740 63.879 63.200 -0.101 0.000 1.122 98 S HN 0.263 nan 8.310 nan 0.000 0.468 99 Y N 1.960 122.247 120.300 -0.021 0.000 2.509 99 Y HA 0.406 4.961 4.550 0.008 0.000 0.293 99 Y C 0.479 176.424 175.900 0.076 0.000 1.133 99 Y CA -0.160 57.919 58.100 -0.035 0.000 1.283 99 Y CB -0.810 37.541 38.460 -0.182 0.000 1.001 99 Y HN 0.239 nan 8.280 nan 0.000 0.555 100 V N 4.216 123.805 119.914 -0.541 0.000 2.617 100 V HA -0.126 3.998 4.120 0.007 0.000 0.304 100 V C 0.449 176.536 176.094 -0.012 0.000 1.040 100 V CA 0.747 62.847 62.300 -0.333 0.000 1.149 100 V CB -0.180 31.431 31.823 -0.352 0.000 0.914 100 V HN 0.598 nan 8.190 nan 0.000 0.487 101 D N 2.535 122.960 120.400 0.042 0.000 3.039 101 D HA -0.289 4.355 4.640 0.007 0.000 0.222 101 D C 0.749 177.118 176.300 0.115 0.000 1.179 101 D CA 1.292 55.329 54.000 0.061 0.000 0.880 101 D CB -1.248 39.567 40.800 0.025 0.000 1.115 101 D HN 0.606 nan 8.370 nan 0.000 0.416 102 F N 1.225 121.223 119.950 0.080 0.000 2.043 102 F HA -0.314 4.218 4.527 0.008 0.000 0.297 102 F C 2.330 178.190 175.800 0.101 0.000 1.118 102 F CA 2.271 60.359 58.000 0.145 0.000 1.202 102 F CB -0.405 38.683 39.000 0.146 0.000 0.965 102 F HN 0.034 nan 8.300 nan 0.000 0.482 103 V N 0.485 120.430 119.914 0.053 0.000 2.287 103 V HA -0.332 3.793 4.120 0.007 0.000 0.248 103 V C 2.310 178.272 176.094 -0.221 0.000 1.053 103 V CA 2.407 64.648 62.300 -0.098 0.000 1.027 103 V CB -0.749 31.094 31.823 0.033 0.000 0.646 103 V HN 0.401 nan 8.190 nan 0.000 0.447 104 E N -0.124 119.985 120.200 -0.152 0.000 2.058 104 E HA -0.209 4.145 4.350 0.007 0.000 0.194 104 E C 2.216 178.632 176.600 -0.307 0.000 0.997 104 E CA 1.415 57.704 56.400 -0.185 0.000 0.801 104 E CB -0.217 29.410 29.700 -0.121 0.000 0.746 104 E HN 0.517 nan 8.360 nan 0.000 0.450 105 L N 0.367 121.387 121.223 -0.339 0.000 2.156 105 L HA -0.097 4.248 4.340 0.007 0.000 0.208 105 L C 2.581 178.917 176.870 -0.890 0.000 1.095 105 L CA 0.652 55.176 54.840 -0.527 0.000 0.770 105 L CB -0.468 41.454 42.059 -0.229 0.000 0.914 105 L HN 0.129 nan 8.230 nan 0.000 0.439 106 A N 0.441 122.771 122.820 -0.815 0.000 1.933 106 A HA -0.189 4.135 4.320 0.007 0.000 0.218 106 A C 2.400 179.784 177.584 -0.334 0.000 1.175 106 A CA 1.377 53.046 52.037 -0.614 0.000 0.628 106 A CB -0.394 18.217 19.000 -0.648 0.000 0.814 106 A HN 0.342 nan 8.150 nan 0.000 0.444 107 R N -1.117 119.180 120.500 -0.339 0.000 2.115 107 R HA -0.036 4.308 4.340 0.007 0.000 0.226 107 R C 2.098 178.258 176.300 -0.235 0.000 1.100 107 R CA 1.539 57.508 56.100 -0.218 0.000 0.980 107 R CB -0.583 29.605 30.300 -0.188 0.000 0.875 107 R HN 0.509 nan 8.270 nan 0.000 0.445 108 T N 0.693 115.005 114.554 -0.402 0.000 2.732 108 T HA -0.052 4.302 4.350 0.007 0.000 0.261 108 T C 1.185 175.602 174.700 -0.472 0.000 1.040 108 T CA 1.274 63.046 62.100 -0.547 0.000 1.145 108 T CB -0.114 68.205 68.868 -0.915 0.000 0.866 108 T HN 0.087 nan 8.240 nan 0.000 0.427 109 F N 0.961 120.785 119.950 -0.211 0.000 2.746 109 F HA 0.457 4.988 4.527 0.006 0.000 0.297 109 F C 1.726 177.605 175.800 0.130 0.000 1.113 109 F CA -0.064 57.917 58.000 -0.033 0.000 1.367 109 F CB -0.577 38.336 39.000 -0.146 0.000 1.111 109 F HN 0.368 nan 8.300 nan 0.000 0.590 110 G N 0.782 109.686 108.800 0.173 0.000 2.760 110 G HA2 -0.158 3.807 3.960 0.007 0.000 0.246 110 G HA3 -0.158 3.807 3.960 0.007 0.000 0.246 110 G C -2.841 172.238 174.900 0.299 0.000 1.359 110 G CA -1.047 44.187 45.100 0.223 0.000 0.861 110 G HN 0.016 nan 8.290 nan 0.000 0.541 111 P HA 0.521 nan 4.420 nan 0.000 0.274 111 P C 0.022 177.286 177.300 -0.060 0.000 1.246 111 P CA -0.066 62.824 63.100 -0.350 0.000 0.795 111 P CB 0.711 32.062 31.700 -0.582 0.000 1.006 112 I N -2.733 117.761 120.570 -0.127 0.000 3.076 112 I HA 0.815 4.989 4.170 0.007 0.000 0.313 112 I C 0.887 176.947 176.117 -0.094 0.000 1.053 112 I CA -0.571 60.692 61.300 -0.061 0.000 1.048 112 I CB 0.407 38.360 38.000 -0.077 0.000 1.264 112 I HN 0.750 nan 8.210 nan 0.000 0.498 113 G N 1.004 109.772 108.800 -0.053 0.000 2.575 113 G HA2 0.375 4.340 3.960 0.007 0.000 0.267 113 G HA3 0.375 4.340 3.960 0.007 0.000 0.267 113 G C 0.338 175.199 174.900 -0.064 0.000 1.264 113 G CA 0.129 45.198 45.100 -0.051 0.000 0.935 113 G HN 2.896 nan 8.290 nan 0.000 0.568 114 G N -3.153 105.582 108.800 -0.109 0.000 3.055 114 G HA2 0.239 4.203 3.960 0.007 0.000 0.686 114 G HA3 0.239 4.203 3.960 0.007 0.000 0.686 114 G C 0.562 175.284 174.900 -0.296 0.000 1.087 114 G CA 0.524 45.516 45.100 -0.180 0.000 0.779 114 G HN 1.413 nan 8.290 nan 0.000 0.599 115 M N 1.773 121.083 119.600 -0.483 0.000 2.213 115 M HA -0.004 4.480 4.480 0.007 0.000 0.263 115 M C 2.711 178.878 176.300 -0.221 0.000 1.062 115 M CA 2.548 57.463 55.300 -0.643 0.000 1.105 115 M CB -0.258 31.678 32.600 -1.106 0.000 1.385 115 M HN 0.843 nan 8.290 nan 0.000 0.417 116 G N -0.092 108.619 108.800 -0.149 0.000 2.453 116 G HA2 -0.189 3.776 3.960 0.007 0.000 0.215 116 G HA3 -0.189 3.776 3.960 0.007 0.000 0.215 116 G C 1.591 176.476 174.900 -0.026 0.000 1.201 116 G CA 0.993 46.074 45.100 -0.031 0.000 0.784 116 G HN 0.540 nan 8.290 nan 0.000 0.545 117 A N 0.227 123.011 122.820 -0.060 0.000 1.933 117 A HA 0.086 4.410 4.320 0.007 0.000 0.218 117 A C 2.362 179.904 177.584 -0.071 0.000 1.175 117 A CA 1.721 53.721 52.037 -0.062 0.000 0.628 117 A CB -0.436 18.528 19.000 -0.059 0.000 0.814 117 A HN 0.480 nan 8.150 nan 0.000 0.444 118 L N -0.217 120.957 121.223 -0.081 0.000 2.046 118 L HA -0.101 4.244 4.340 0.007 0.000 0.208 118 L C 2.357 179.220 176.870 -0.011 0.000 1.077 118 L CA 2.800 57.591 54.840 -0.082 0.000 0.747 118 L CB -1.155 40.807 42.059 -0.162 0.000 0.896 118 L HN 0.342 nan 8.230 nan 0.000 0.432 119 T N -0.051 114.547 114.554 0.073 0.000 2.708 119 T HA -0.133 4.221 4.350 0.007 0.000 0.266 119 T C 1.921 176.626 174.700 0.009 0.000 1.037 119 T CA 1.382 63.538 62.100 0.093 0.000 1.146 119 T CB -0.519 68.457 68.868 0.179 0.000 0.865 119 T HN 0.542 nan 8.240 nan 0.000 0.435 120 A N 1.347 124.159 122.820 -0.014 0.000 1.877 120 A HA -0.038 4.286 4.320 0.007 0.000 0.216 120 A C 2.237 179.774 177.584 -0.079 0.000 1.186 120 A CA 1.362 53.372 52.037 -0.046 0.000 0.620 120 A CB -0.832 18.134 19.000 -0.058 0.000 0.822 120 A HN 0.400 nan 8.150 nan 0.000 0.443 121 L N 0.023 121.180 121.223 -0.109 0.000 2.017 121 L HA -0.089 4.255 4.340 0.007 0.000 0.208 121 L C 2.239 179.069 176.870 -0.066 0.000 1.073 121 L CA 1.734 56.485 54.840 -0.150 0.000 0.745 121 L CB -0.592 41.363 42.059 -0.173 0.000 0.894 121 L HN 0.439 nan 8.230 nan 0.000 0.432 122 I N -0.714 119.839 120.570 -0.028 0.000 2.208 122 I HA -0.331 3.844 4.170 0.007 0.000 0.245 122 I C 2.661 178.776 176.117 -0.002 0.000 1.097 122 I CA 1.333 62.638 61.300 0.008 0.000 1.363 122 I CB -0.299 37.718 38.000 0.028 0.000 1.051 122 I HN 0.262 nan 8.210 nan 0.000 0.413 123 R N 0.330 120.819 120.500 -0.019 0.000 2.081 123 R HA -0.215 4.130 4.340 0.007 0.000 0.235 123 R C 1.987 178.277 176.300 -0.016 0.000 1.131 123 R CA 1.979 58.067 56.100 -0.020 0.000 0.960 123 R CB -0.432 29.852 30.300 -0.026 0.000 0.856 123 R HN 0.362 nan 8.270 nan 0.000 0.436 124 D N 0.172 120.556 120.400 -0.027 0.000 2.092 124 D HA -0.184 4.461 4.640 0.007 0.000 0.193 124 D C 1.951 178.253 176.300 0.002 0.000 0.994 124 D CA 1.322 55.309 54.000 -0.021 0.000 0.828 124 D CB 0.153 40.922 40.800 -0.051 0.000 0.963 124 D HN 0.040 nan 8.370 nan 0.000 0.450 125 Q N 0.210 120.015 119.800 0.008 0.000 2.084 125 Q HA -0.157 4.187 4.340 0.007 0.000 0.202 125 Q C 2.216 178.235 176.000 0.031 0.000 0.978 125 Q CA 1.069 56.891 55.803 0.032 0.000 0.844 125 Q CB -0.400 28.366 28.738 0.047 0.000 0.898 125 Q HN 0.397 nan 8.270 nan 0.000 0.426 126 K N 0.253 120.667 120.400 0.023 0.000 2.097 126 K HA -0.067 4.258 4.320 0.007 0.000 0.206 126 K C 1.975 178.584 176.600 0.015 0.000 1.049 126 K CA 1.003 57.302 56.287 0.019 0.000 0.933 126 K CB -0.004 32.502 32.500 0.010 0.000 0.717 126 K HN 0.151 nan 8.250 nan 0.000 0.442 127 A N 1.208 124.034 122.820 0.010 0.000 1.930 127 A HA -0.127 4.197 4.320 0.007 0.000 0.217 127 A C 1.996 179.591 177.584 0.017 0.000 1.175 127 A CA 1.112 53.155 52.037 0.010 0.000 0.627 127 A CB -0.323 18.679 19.000 0.004 0.000 0.815 127 A HN 0.271 nan 8.150 nan 0.000 0.443 128 R N -0.684 119.830 120.500 0.024 0.000 2.073 128 R HA -0.076 4.268 4.340 0.007 0.000 0.234 128 R C 2.056 178.377 176.300 0.034 0.000 1.134 128 R CA 1.476 57.594 56.100 0.031 0.000 0.952 128 R CB -0.644 29.680 30.300 0.040 0.000 0.850 128 R HN 0.366 nan 8.270 nan 0.000 0.433 129 V N 1.587 121.523 119.914 0.037 0.000 2.295 129 V HA -0.248 3.876 4.120 0.007 0.000 0.246 129 V C 2.079 178.193 176.094 0.034 0.000 1.049 129 V CA 1.904 64.228 62.300 0.041 0.000 1.024 129 V CB -0.447 31.403 31.823 0.044 0.000 0.648 129 V HN 0.370 nan 8.190 nan 0.000 0.447 130 E N 0.283 120.499 120.200 0.026 0.000 2.077 130 E HA -0.180 4.174 4.350 0.007 0.000 0.193 130 E C 2.274 178.886 176.600 0.020 0.000 0.989 130 E CA 1.257 57.669 56.400 0.021 0.000 0.800 130 E CB -0.351 29.357 29.700 0.014 0.000 0.746 130 E HN 0.594 nan 8.360 nan 0.000 0.452 131 A N 1.393 124.224 122.820 0.019 0.000 2.070 131 A HA -0.208 4.116 4.320 0.007 0.000 0.220 131 A C 1.743 179.340 177.584 0.021 0.000 1.159 131 A CA 1.201 53.248 52.037 0.018 0.000 0.656 131 A CB -0.323 18.687 19.000 0.017 0.000 0.800 131 A HN 0.176 nan 8.150 nan 0.000 0.453 132 E N -1.672 118.543 120.200 0.026 0.000 2.427 132 E HA 0.213 4.567 4.350 0.007 0.000 0.196 132 E C 1.209 177.824 176.600 0.026 0.000 1.028 132 E CA 0.331 56.748 56.400 0.028 0.000 0.864 132 E CB -0.093 29.629 29.700 0.037 0.000 0.813 132 E HN 0.742 nan 8.360 nan 0.000 0.514 133 G N 0.957 109.771 108.800 0.024 0.000 2.159 133 G HA2 -0.223 3.741 3.960 0.007 0.000 0.227 133 G HA3 -0.223 3.741 3.960 0.007 0.000 0.227 133 G C 0.487 175.405 174.900 0.029 0.000 0.986 133 G CA -0.263 44.851 45.100 0.023 0.000 0.651 133 G HN 0.490 nan 8.290 nan 0.000 0.523 134 G N -0.469 108.352 108.800 0.035 0.000 2.621 134 G HA2 0.575 4.540 3.960 0.007 0.000 0.271 134 G HA3 0.575 4.540 3.960 0.007 0.000 0.271 134 G C -0.135 174.789 174.900 0.040 0.000 1.236 134 G CA 0.196 45.322 45.100 0.043 0.000 0.958 134 G HN 0.773 nan 8.290 nan 0.000 0.512 135 K N -0.716 119.712 120.400 0.045 0.000 2.450 135 K HA 0.633 4.958 4.320 0.007 0.000 0.257 135 K C -0.551 176.067 176.600 0.029 0.000 0.953 135 K CA -0.394 55.916 56.287 0.038 0.000 0.844 135 K CB 1.352 33.882 32.500 0.050 0.000 1.103 135 K HN 0.612 nan 8.250 nan 0.000 0.429 136 A N 5.441 128.271 122.820 0.016 0.000 2.318 136 A HA 0.661 4.985 4.320 0.007 0.000 0.324 136 A C -1.174 176.398 177.584 -0.019 0.000 1.170 136 A CA -0.821 51.222 52.037 0.010 0.000 0.810 136 A CB 0.498 19.511 19.000 0.021 0.000 1.198 136 A HN 0.723 nan 8.150 nan 0.000 0.484 137 L N 2.594 123.798 121.223 -0.032 0.000 2.317 137 L HA 0.508 4.852 4.340 0.007 0.000 0.281 137 L C -0.700 176.166 176.870 -0.007 0.000 1.024 137 L CA -0.975 53.822 54.840 -0.072 0.000 0.810 137 L CB 2.000 43.969 42.059 -0.149 0.000 1.240 137 L HN 0.413 nan 8.230 nan 0.000 0.427 138 V N 5.103 125.013 119.914 -0.006 0.000 2.333 138 V HA 0.367 4.491 4.120 0.007 0.000 0.274 138 V C 0.023 176.149 176.094 0.054 0.000 1.028 138 V CA -0.285 62.051 62.300 0.061 0.000 0.851 138 V CB 1.241 33.102 31.823 0.064 0.000 1.000 138 V HN 0.480 nan 8.190 nan 0.000 0.456 139 L N 4.320 125.591 121.223 0.080 0.000 2.313 139 L HA 0.609 4.954 4.340 0.007 0.000 0.283 139 L C -0.618 176.196 176.870 -0.093 0.000 1.013 139 L CA -0.487 54.390 54.840 0.062 0.000 0.816 139 L CB 1.988 44.103 42.059 0.094 0.000 1.236 139 L HN 0.493 nan 8.230 nan 0.000 0.419 140 D N 1.993 122.270 120.400 -0.205 0.000 2.381 140 D HA 0.262 4.906 4.640 0.007 0.000 0.235 140 D C 0.964 177.163 176.300 -0.168 0.000 1.068 140 D CA -0.414 53.268 54.000 -0.531 0.000 0.832 140 D CB 2.230 42.757 40.800 -0.455 0.000 1.101 140 D HN 0.624 nan 8.370 nan 0.000 0.515 141 G N 2.313 111.083 108.800 -0.050 0.000 2.776 141 G HA2 0.380 4.345 3.960 0.007 0.000 0.209 141 G HA3 0.380 4.345 3.960 0.007 0.000 0.209 141 G C 0.882 175.922 174.900 0.234 0.000 1.145 141 G CA 0.396 45.611 45.100 0.191 0.000 0.791 141 G HN 0.959 nan 8.290 nan 0.000 0.530 142 G N -0.445 108.387 108.800 0.053 0.000 2.592 142 G HA2 0.148 4.112 3.960 0.007 0.000 0.684 142 G HA3 0.148 4.112 3.960 0.007 0.000 0.684 142 G C -0.249 174.640 174.900 -0.018 0.000 1.291 142 G CA -0.056 45.031 45.100 -0.022 0.000 0.891 142 G HN 0.553 nan 8.290 nan 0.000 0.544 143 D N -1.193 119.083 120.400 -0.206 0.000 2.723 143 D HA -0.142 4.502 4.640 0.007 0.000 0.236 143 D C 1.475 177.494 176.300 -0.468 0.000 1.138 143 D CA 2.206 55.989 54.000 -0.362 0.000 0.676 143 D CB -1.272 39.394 40.800 -0.222 0.000 1.069 143 D HN 0.807 nan 8.370 nan 0.000 0.430 144 T N -2.350 112.022 114.554 -0.303 0.000 3.004 144 T HA -0.039 4.315 4.350 0.007 0.000 0.243 144 T C 1.532 176.257 174.700 0.041 0.000 1.020 144 T CA 0.329 62.377 62.100 -0.088 0.000 1.145 144 T CB -0.020 68.877 68.868 0.049 0.000 0.876 144 T HN 0.207 nan 8.240 nan 0.000 0.449 145 W N 3.512 124.714 121.300 -0.164 0.000 2.595 145 W HA 0.196 4.860 4.660 0.007 0.000 0.257 145 W C 1.353 177.755 176.519 -0.196 0.000 1.267 145 W CA 0.149 57.400 57.345 -0.157 0.000 1.300 145 W CB -1.414 27.939 29.460 -0.177 0.000 1.120 145 W HN 0.296 nan 8.180 nan 0.000 0.618 146 T N -2.848 111.676 114.554 -0.050 0.000 2.905 146 T HA 0.427 4.781 4.350 0.007 0.000 0.283 146 T C 0.101 174.595 174.700 -0.343 0.000 1.031 146 T CA -0.568 61.430 62.100 -0.170 0.000 1.002 146 T CB 1.481 70.262 68.868 -0.145 0.000 1.200 146 T HN 0.116 nan 8.240 nan 0.000 0.560 147 N N -0.318 118.121 118.700 -0.435 0.000 2.780 147 N HA -0.128 4.617 4.740 0.007 0.000 0.247 147 N C -0.446 174.844 175.510 -0.366 0.000 1.076 147 N CA 0.690 53.355 53.050 -0.643 0.000 0.688 147 N CB -1.732 35.894 38.487 -1.435 0.000 0.957 147 N HN 1.111 nan 8.380 nan 0.000 0.551 148 S N -3.326 112.241 115.700 -0.221 0.000 2.611 148 S HA 0.733 5.208 4.470 0.007 0.000 0.268 148 S C 1.154 175.685 174.600 -0.115 0.000 1.156 148 S CA -0.557 57.564 58.200 -0.130 0.000 0.817 148 S CB 1.358 64.456 63.200 -0.170 0.000 1.122 148 S HN 0.203 nan 8.310 nan 0.000 0.466 149 G N 0.714 109.509 108.800 -0.008 0.000 2.480 149 G HA2 -0.125 3.839 3.960 0.007 0.000 0.216 149 G HA3 -0.125 3.839 3.960 0.007 0.000 0.216 149 G C 1.245 176.035 174.900 -0.183 0.000 1.200 149 G CA 1.082 46.128 45.100 -0.091 0.000 0.782 149 G HN 0.886 nan 8.290 nan 0.000 0.554 150 L N 1.068 122.245 121.223 -0.077 0.000 2.081 150 L HA -0.097 4.247 4.340 0.007 0.000 0.212 150 L C 2.907 179.695 176.870 -0.137 0.000 1.080 150 L CA 2.649 57.435 54.840 -0.091 0.000 0.754 150 L CB -0.685 41.328 42.059 -0.078 0.000 0.893 150 L HN 0.281 nan 8.230 nan 0.000 0.433 151 S N -1.015 114.595 115.700 -0.151 0.000 2.345 151 S HA -0.146 4.329 4.470 0.007 0.000 0.220 151 S C 2.038 176.532 174.600 -0.176 0.000 1.031 151 S CA 1.497 59.609 58.200 -0.146 0.000 0.996 151 S CB -0.445 62.670 63.200 -0.142 0.000 0.882 151 S HN 0.497 nan 8.310 nan 0.000 0.445 152 L N 0.919 121.996 121.223 -0.242 0.000 2.083 152 L HA -0.050 4.294 4.340 0.007 0.000 0.209 152 L C 2.407 179.108 176.870 -0.282 0.000 1.083 152 L CA 1.056 55.730 54.840 -0.276 0.000 0.752 152 L CB -0.477 41.308 42.059 -0.457 0.000 0.899 152 L HN 0.352 nan 8.230 nan 0.000 0.433 153 L N -0.607 120.420 121.223 -0.328 0.000 2.362 153 L HA -0.115 4.229 4.340 0.007 0.000 0.219 153 L C 1.833 178.578 176.870 -0.207 0.000 1.134 153 L CA 1.435 56.074 54.840 -0.334 0.000 0.807 153 L CB -0.399 41.395 42.059 -0.441 0.000 0.927 153 L HN 0.447 nan 8.230 nan 0.000 0.447 154 T N -5.192 109.267 114.554 -0.159 0.000 3.231 154 T HA 0.208 4.563 4.350 0.007 0.000 0.292 154 T C 0.693 175.325 174.700 -0.113 0.000 1.001 154 T CA -0.573 61.461 62.100 -0.111 0.000 0.920 154 T CB 0.149 68.966 68.868 -0.087 0.000 1.140 154 T HN 0.147 nan 8.240 nan 0.000 0.525 155 R N 0.950 121.380 120.500 -0.118 0.000 3.322 155 R HA -0.208 4.137 4.340 0.007 0.000 0.253 155 R C 1.424 177.644 176.300 -0.134 0.000 0.987 155 R CA 0.657 56.694 56.100 -0.104 0.000 0.666 155 R CB -2.066 28.188 30.300 -0.077 0.000 1.072 155 R HN 1.024 nan 8.270 nan 0.000 0.447 156 G N -0.483 108.231 108.800 -0.144 0.000 2.267 156 G HA2 -0.432 3.532 3.960 0.007 0.000 0.257 156 G HA3 -0.432 3.532 3.960 0.007 0.000 0.257 156 G C 0.616 175.342 174.900 -0.289 0.000 0.998 156 G CA 0.715 45.700 45.100 -0.191 0.000 0.620 156 G HN 0.571 nan 8.290 nan 0.000 0.529 157 E N 0.742 120.802 120.200 -0.233 0.000 2.085 157 E HA 0.007 4.361 4.350 0.007 0.000 0.194 157 E C 2.769 179.317 176.600 -0.087 0.000 0.994 157 E CA 1.805 58.080 56.400 -0.208 0.000 0.801 157 E CB -0.370 29.249 29.700 -0.134 0.000 0.743 157 E HN 0.932 nan 8.360 nan 0.000 0.453 158 A N 0.265 123.083 122.820 -0.003 0.000 2.067 158 A HA -0.092 4.232 4.320 0.007 0.000 0.219 158 A C 2.267 179.992 177.584 0.235 0.000 1.158 158 A CA 1.157 53.307 52.037 0.187 0.000 0.661 158 A CB -0.242 18.811 19.000 0.088 0.000 0.801 158 A HN 0.225 nan 8.150 nan 0.000 0.452 159 V N -0.614 119.344 119.914 0.074 0.000 2.407 159 V HA -0.168 3.956 4.120 0.007 0.000 0.245 159 V C 2.515 178.721 176.094 0.186 0.000 1.041 159 V CA 1.722 64.119 62.300 0.161 0.000 1.040 159 V CB -0.687 31.203 31.823 0.112 0.000 0.671 159 V HN 0.359 nan 8.190 nan 0.000 0.455 160 V N 0.018 119.859 119.914 -0.121 0.000 2.343 160 V HA -0.242 3.883 4.120 0.007 0.000 0.247 160 V C 2.633 178.728 176.094 0.002 0.000 1.051 160 V CA 1.931 64.152 62.300 -0.131 0.000 1.036 160 V CB -0.833 30.724 31.823 -0.444 0.000 0.654 160 V HN 0.442 nan 8.190 nan 0.000 0.451 161 R N -1.208 119.281 120.500 -0.018 0.000 2.091 161 R HA -0.245 4.099 4.340 0.007 0.000 0.238 161 R C 2.163 178.296 176.300 -0.278 0.000 1.136 161 R CA 2.209 58.235 56.100 -0.123 0.000 0.959 161 R CB -0.527 29.746 30.300 -0.046 0.000 0.856 161 R HN 0.727 nan 8.270 nan 0.000 0.437 162 W N 2.195 123.311 121.300 -0.307 0.000 2.358 162 W HA -0.198 4.466 4.660 0.006 0.000 0.303 162 W C 1.911 178.356 176.519 -0.123 0.000 1.208 162 W CA 1.280 58.452 57.345 -0.289 0.000 1.274 162 W CB -0.320 29.078 29.460 -0.103 0.000 1.138 162 W HN 0.071 nan 8.180 nan 0.000 0.515 163 Q N 0.087 119.685 119.800 -0.337 0.000 2.112 163 Q HA -0.262 4.083 4.340 0.007 0.000 0.206 163 Q C 1.960 177.732 176.000 -0.380 0.000 0.987 163 Q CA 1.938 57.456 55.803 -0.476 0.000 0.858 163 Q CB -0.512 28.316 28.738 0.150 0.000 0.905 163 Q HN 0.344 nan 8.270 nan 0.000 0.420 164 N N 0.308 118.864 118.700 -0.239 0.000 2.244 164 N HA -0.098 4.647 4.740 0.007 0.000 0.183 164 N C 1.776 177.115 175.510 -0.284 0.000 1.016 164 N CA 0.810 53.724 53.050 -0.227 0.000 0.866 164 N CB -0.180 38.206 38.487 -0.167 0.000 0.980 164 N HN 0.225 nan 8.380 nan 0.000 0.430 165 L N 0.016 121.018 121.223 -0.369 0.000 2.017 165 L HA -0.103 4.241 4.340 0.007 0.000 0.208 165 L C 2.312 178.991 176.870 -0.318 0.000 1.073 165 L CA 0.912 55.553 54.840 -0.331 0.000 0.745 165 L CB -0.435 41.409 42.059 -0.358 0.000 0.894 165 L HN 0.036 nan 8.230 nan 0.000 0.432 166 V N -0.244 119.378 119.914 -0.488 0.000 2.488 166 V HA 0.070 4.194 4.120 0.007 0.000 0.246 166 V C 1.037 176.982 176.094 -0.248 0.000 1.046 166 V CA 1.262 63.338 62.300 -0.374 0.000 1.053 166 V CB -0.175 31.339 31.823 -0.515 0.000 0.679 166 V HN 0.683 nan 8.190 nan 0.000 0.458 167 G N 0.293 108.936 108.800 -0.262 0.000 2.970 167 G HA2 -0.133 3.832 3.960 0.007 0.000 0.249 167 G HA3 -0.133 3.832 3.960 0.007 0.000 0.249 167 G C -0.402 174.420 174.900 -0.131 0.000 1.113 167 G CA -0.122 44.870 45.100 -0.180 0.000 1.119 167 G HN 0.695 nan 8.290 nan 0.000 0.552 168 V N 1.673 121.521 119.914 -0.110 0.000 2.455 168 V HA 0.213 4.337 4.120 0.007 0.000 0.273 168 V C 1.294 177.343 176.094 -0.074 0.000 1.045 168 V CA 0.123 62.425 62.300 0.003 0.000 0.976 168 V CB 1.348 33.284 31.823 0.189 0.000 0.993 168 V HN 0.533 nan 8.190 nan 0.000 0.475 169 D N 2.035 122.375 120.400 -0.100 0.000 2.162 169 D HA 0.011 4.655 4.640 0.007 0.000 0.203 169 D C 0.548 176.594 176.300 -0.423 0.000 0.967 169 D CA 1.419 55.248 54.000 -0.285 0.000 0.840 169 D CB 0.291 40.905 40.800 -0.310 0.000 0.972 169 D HN 0.626 nan 8.370 nan 0.000 0.482 170 H N -1.428 117.713 119.070 0.119 0.000 3.017 170 H HA 0.485 5.045 4.556 0.007 0.000 0.346 170 H C -0.404 175.001 175.328 0.127 0.000 1.286 170 H CA -0.670 55.469 56.048 0.153 0.000 1.120 170 H CB 2.142 31.946 29.762 0.070 0.000 1.860 170 H HN -0.066 nan 8.280 nan 0.000 0.542 171 M N 0.512 120.215 119.600 0.172 0.000 2.603 171 M HA 0.597 5.082 4.480 0.007 0.000 0.275 171 M C -1.478 174.597 176.300 -0.375 0.000 1.226 171 M CA -0.867 54.382 55.300 -0.086 0.000 0.870 171 M CB 2.485 34.983 32.600 -0.170 0.000 1.716 171 M HN 0.352 nan 8.290 nan 0.000 0.482 172 V N -0.570 119.143 119.914 -0.336 0.000 3.285 172 V HA 1.009 5.134 4.120 0.007 0.000 0.302 172 V C -0.267 175.684 176.094 -0.238 0.000 1.247 172 V CA -0.003 62.038 62.300 -0.432 0.000 1.035 172 V CB 1.166 32.901 31.823 -0.146 0.000 1.223 172 V HN 1.230 nan 8.190 nan 0.000 0.475 173 S N -1.939 113.740 115.700 -0.034 0.000 2.638 173 S HA 0.710 5.185 4.470 0.007 0.000 0.274 173 S C -0.395 174.234 174.600 0.047 0.000 1.157 173 S CA 0.215 58.420 58.200 0.008 0.000 0.826 173 S CB 2.046 65.400 63.200 0.256 0.000 1.139 173 S HN 1.414 nan 8.310 nan 0.000 0.474 174 H N -0.988 117.982 119.070 -0.166 0.000 4.940 174 H HA 0.160 4.721 4.556 0.007 0.000 0.098 174 H C 0.081 175.386 175.328 -0.039 0.000 1.282 174 H CA -0.203 55.790 56.048 -0.093 0.000 0.817 174 H CB -0.461 29.065 29.762 -0.394 0.000 1.352 174 H HN 0.556 nan 8.280 nan 0.000 0.128 175 W N 2.327 123.357 121.300 -0.450 0.000 2.468 175 W HA -0.023 4.642 4.660 0.007 0.000 0.262 175 W C 1.953 178.278 176.519 -0.324 0.000 1.241 175 W CA 1.232 58.294 57.345 -0.471 0.000 1.232 175 W CB 0.029 29.208 29.460 -0.468 0.000 1.124 175 W HN 0.500 nan 8.180 nan 0.000 0.597 176 E N -1.159 118.926 120.200 -0.192 0.000 2.147 176 E HA -0.241 4.113 4.350 0.007 0.000 0.199 176 E C 1.455 177.855 176.600 -0.333 0.000 1.005 176 E CA 1.801 57.999 56.400 -0.336 0.000 0.810 176 E CB -0.794 28.419 29.700 -0.811 0.000 0.736 176 E HN 0.429 nan 8.360 nan 0.000 0.460 177 W N 0.358 121.584 121.300 -0.122 0.000 2.611 177 W HA -0.057 4.608 4.660 0.007 0.000 0.251 177 W C 2.010 178.347 176.519 -0.302 0.000 1.265 177 W CA 1.279 58.557 57.345 -0.112 0.000 1.295 177 W CB -0.522 28.915 29.460 -0.039 0.000 1.129 177 W HN 0.106 nan 8.180 nan 0.000 0.630 178 T N -2.271 112.116 114.554 -0.278 0.000 3.160 178 T HA -0.034 4.320 4.350 0.007 0.000 0.257 178 T C 1.475 175.699 174.700 -0.793 0.000 1.147 178 T CA 0.613 62.302 62.100 -0.685 0.000 1.064 178 T CB -0.357 68.461 68.868 -0.083 0.000 0.949 178 T HN 0.196 nan 8.240 nan 0.000 0.526 179 L N 0.745 121.745 121.223 -0.372 0.000 2.418 179 L HA 0.330 4.675 4.340 0.007 0.000 0.218 179 L C 1.420 178.188 176.870 -0.169 0.000 1.125 179 L CA 0.407 55.119 54.840 -0.213 0.000 0.835 179 L CB -0.822 41.183 42.059 -0.090 0.000 0.953 179 L HN 0.676 nan 8.230 nan 0.000 0.454 180 G N -0.102 108.593 108.800 -0.175 0.000 2.785 180 G HA2 -0.196 3.769 3.960 0.007 0.000 0.686 180 G HA3 -0.196 3.769 3.960 0.007 0.000 0.686 180 G C 0.278 175.302 174.900 0.208 0.000 1.155 180 G CA -0.451 44.730 45.100 0.135 0.000 0.760 180 G HN 0.084 nan 8.290 nan 0.000 0.624 181 R N 0.544 121.257 120.500 0.356 0.000 2.119 181 R HA -0.185 4.159 4.340 0.007 0.000 0.246 181 R C 2.469 178.912 176.300 0.239 0.000 1.146 181 R CA 2.439 58.789 56.100 0.417 0.000 0.962 181 R CB -0.194 30.325 30.300 0.364 0.000 0.863 181 R HN 0.833 nan 8.270 nan 0.000 0.442 182 E N -0.377 119.924 120.200 0.169 0.000 2.051 182 E HA -0.233 4.122 4.350 0.007 0.000 0.192 182 E C 2.087 178.722 176.600 0.057 0.000 0.991 182 E CA 0.988 57.452 56.400 0.106 0.000 0.799 182 E CB -0.176 29.578 29.700 0.091 0.000 0.748 182 E HN 0.095 nan 8.360 nan 0.000 0.449 183 R N 1.358 121.880 120.500 0.037 0.000 2.096 183 R HA -0.102 4.242 4.340 0.007 0.000 0.235 183 R C 2.122 178.385 176.300 -0.062 0.000 1.127 183 R CA 0.938 57.025 56.100 -0.022 0.000 0.968 183 R CB -0.698 29.582 30.300 -0.034 0.000 0.861 183 R HN 0.016 nan 8.270 nan 0.000 0.440 184 V N 0.596 120.475 119.914 -0.059 0.000 2.261 184 V HA -0.204 3.920 4.120 0.007 0.000 0.246 184 V C 2.111 178.158 176.094 -0.077 0.000 1.047 184 V CA 2.197 64.421 62.300 -0.127 0.000 1.015 184 V CB -0.546 30.967 31.823 -0.516 0.000 0.642 184 V HN 0.318 nan 8.190 nan 0.000 0.446 185 E N 0.023 120.224 120.200 0.002 0.000 2.097 185 E HA -0.244 4.110 4.350 0.007 0.000 0.196 185 E C 2.237 178.850 176.600 0.020 0.000 1.000 185 E CA 1.757 58.190 56.400 0.055 0.000 0.804 185 E CB -0.202 29.555 29.700 0.096 0.000 0.740 185 E HN 0.623 nan 8.360 nan 0.000 0.454 186 E N -0.266 119.928 120.200 -0.010 0.000 2.023 186 E HA -0.190 4.164 4.350 0.007 0.000 0.196 186 E C 2.139 178.696 176.600 -0.073 0.000 1.003 186 E CA 1.164 57.544 56.400 -0.034 0.000 0.809 186 E CB -0.186 29.485 29.700 -0.048 0.000 0.755 186 E HN 0.247 nan 8.360 nan 0.000 0.449 187 L N 0.785 121.912 121.223 -0.159 0.000 2.127 187 L HA -0.211 4.133 4.340 0.007 0.000 0.211 187 L C 2.451 179.235 176.870 -0.144 0.000 1.089 187 L CA 0.684 55.341 54.840 -0.305 0.000 0.757 187 L CB -0.304 41.306 42.059 -0.747 0.000 0.899 187 L HN 0.239 nan 8.230 nan 0.000 0.434 188 L N -0.620 120.600 121.223 -0.004 0.000 2.362 188 L HA -0.082 4.262 4.340 0.007 0.000 0.219 188 L C 2.448 179.406 176.870 0.147 0.000 1.134 188 L CA 0.814 55.739 54.840 0.141 0.000 0.807 188 L CB -0.686 41.411 42.059 0.063 0.000 0.927 188 L HN 0.295 nan 8.230 nan 0.000 0.447 189 G N -0.281 108.558 108.800 0.065 0.000 2.464 189 G HA2 -0.179 3.785 3.960 0.007 0.000 0.217 189 G HA3 -0.179 3.785 3.960 0.007 0.000 0.217 189 G C 1.477 176.398 174.900 0.035 0.000 1.138 189 G CA 0.167 45.296 45.100 0.050 0.000 0.793 189 G HN 0.236 nan 8.290 nan 0.000 0.539 190 L N -0.497 120.740 121.223 0.023 0.000 2.202 190 L HA 0.467 4.811 4.340 0.007 0.000 0.205 190 L C 0.780 177.687 176.870 0.060 0.000 1.083 190 L CA -0.272 54.571 54.840 0.005 0.000 0.790 190 L CB -0.356 41.674 42.059 -0.049 0.000 0.942 190 L HN 0.071 nan 8.230 nan 0.000 0.452 191 F N 1.087 121.014 119.950 -0.039 0.000 2.571 191 F HA 0.040 4.571 4.527 0.007 0.000 0.390 191 F C 1.518 177.333 175.800 0.025 0.000 1.043 191 F CA 0.418 58.433 58.000 0.024 0.000 1.164 191 F CB 0.262 39.352 39.000 0.151 0.000 1.049 191 F HN 0.024 nan 8.300 nan 0.000 0.552 192 R N 3.400 123.619 120.500 -0.468 0.000 2.240 192 R HA 0.123 4.467 4.340 0.007 0.000 0.203 192 R C 1.336 177.229 176.300 -0.678 0.000 1.011 192 R CA 0.431 56.258 56.100 -0.454 0.000 1.007 192 R CB -0.213 29.915 30.300 -0.287 0.000 0.911 192 R HN 0.800 nan 8.270 nan 0.000 0.468 193 G N 0.500 108.442 108.800 -1.430 0.000 2.621 193 G HA2 0.014 3.979 3.960 0.007 0.000 0.271 193 G HA3 0.014 3.979 3.960 0.007 0.000 0.271 193 G C -1.008 173.567 174.900 -0.541 0.000 1.236 193 G CA -0.487 44.027 45.100 -0.977 0.000 0.958 193 G HN 0.125 nan 8.290 nan 0.000 0.512 194 E N -0.519 119.665 120.200 -0.027 0.000 2.113 194 E HA 0.314 4.668 4.350 0.007 0.000 0.273 194 E C -1.217 175.706 176.600 0.538 0.000 0.924 194 E CA -0.712 55.854 56.400 0.277 0.000 0.764 194 E CB 0.829 30.690 29.700 0.269 0.000 1.104 194 E HN 0.239 nan 8.360 nan 0.000 0.406 195 F N 5.570 125.745 119.950 0.376 0.000 2.443 195 F HA 0.323 4.855 4.527 0.007 0.000 0.353 195 F C -1.033 174.809 175.800 0.070 0.000 1.101 195 F CA -0.129 57.974 58.000 0.172 0.000 1.226 195 F CB 0.429 39.389 39.000 -0.067 0.000 1.140 195 F HN 0.382 nan 8.300 nan 0.000 0.557 196 L N 4.734 125.646 121.223 -0.519 0.000 2.341 196 L HA 0.688 5.032 4.340 0.007 0.000 0.267 196 L C -0.721 175.909 176.870 -0.399 0.000 1.009 196 L CA -0.837 53.839 54.840 -0.273 0.000 0.819 196 L CB 2.127 44.069 42.059 -0.196 0.000 1.323 196 L HN 0.581 nan 8.230 nan 0.000 0.425 197 S N -0.714 114.969 115.700 -0.029 0.000 2.581 197 S HA 0.125 4.599 4.470 0.007 0.000 0.306 197 S C -0.343 174.318 174.600 0.101 0.000 1.080 197 S CA -0.705 57.511 58.200 0.027 0.000 0.925 197 S CB 0.735 63.987 63.200 0.088 0.000 1.128 197 S HN 0.684 nan 8.310 nan 0.000 0.451 198 Y N 3.056 123.382 120.300 0.044 0.000 2.517 198 Y HA 0.230 4.785 4.550 0.007 0.000 0.281 198 Y C 1.363 177.271 175.900 0.013 0.000 1.125 198 Y CA 1.352 59.476 58.100 0.040 0.000 1.283 198 Y CB -0.082 38.402 38.460 0.041 0.000 1.042 198 Y HN 0.605 nan 8.280 nan 0.000 0.547 199 N N 0.976 119.091 118.700 -0.975 0.000 2.254 199 N HA 0.082 4.826 4.740 0.007 0.000 0.190 199 N C -0.169 175.047 175.510 -0.490 0.000 1.107 199 N CA 0.021 52.543 53.050 -0.880 0.000 0.869 199 N CB -0.140 37.642 38.487 -1.175 0.000 0.983 199 N HN 0.420 nan 8.380 nan 0.000 0.487 200 I N 2.587 122.920 120.570 -0.395 0.000 2.308 200 I HA 0.139 4.313 4.170 0.007 0.000 0.293 200 I C 0.046 175.965 176.117 -0.329 0.000 1.078 200 I CA -0.755 60.232 61.300 -0.522 0.000 1.292 200 I CB 0.828 38.580 38.000 -0.414 0.000 1.423 200 I HN -0.082 nan 8.210 nan 0.000 0.493 201 V N 1.683 121.406 119.914 -0.318 0.000 3.074 201 V HA 0.526 4.651 4.120 0.007 0.000 0.314 201 V C -0.483 175.512 176.094 -0.164 0.000 1.117 201 V CA -1.053 61.129 62.300 -0.197 0.000 1.014 201 V CB 2.009 33.757 31.823 -0.125 0.000 1.057 201 V HN 0.626 nan 8.190 nan 0.000 0.438 202 D N 1.834 122.177 120.400 -0.094 0.000 2.425 202 D HA 0.113 4.757 4.640 0.007 0.000 0.247 202 D C 0.979 177.273 176.300 -0.011 0.000 1.147 202 D CA 0.459 54.440 54.000 -0.031 0.000 0.879 202 D CB 1.297 42.129 40.800 0.053 0.000 1.179 202 D HN 0.860 nan 8.370 nan 0.000 0.456 203 D N 3.023 123.413 120.400 -0.018 0.000 2.350 203 D HA -0.158 4.486 4.640 0.007 0.000 0.216 203 D C 1.402 177.678 176.300 -0.040 0.000 0.968 203 D CA 0.455 54.440 54.000 -0.026 0.000 0.894 203 D CB -0.037 40.750 40.800 -0.022 0.000 0.909 203 D HN 0.413 nan 8.370 nan 0.000 0.520 204 L N -1.799 119.401 121.223 -0.039 0.000 2.347 204 L HA 0.305 4.650 4.340 0.007 0.000 0.196 204 L C 1.602 178.328 176.870 -0.240 0.000 1.072 204 L CA 0.811 55.546 54.840 -0.174 0.000 0.817 204 L CB -0.136 41.758 42.059 -0.274 0.000 1.029 204 L HN -0.124 nan 8.230 nan 0.000 0.478 205 F N 0.075 120.004 119.950 -0.036 0.000 2.619 205 F HA 0.367 4.898 4.527 0.007 0.000 0.293 205 F C 1.822 177.600 175.800 -0.037 0.000 1.119 205 F CA 0.649 58.629 58.000 -0.034 0.000 1.445 205 F CB -0.180 38.799 39.000 -0.036 0.000 1.119 205 F HN 0.182 nan 8.300 nan 0.000 0.573 206 G N 0.966 109.837 108.800 0.119 0.000 2.143 206 G HA2 -0.262 3.702 3.960 0.007 0.000 0.248 206 G HA3 -0.262 3.702 3.960 0.007 0.000 0.248 206 G C -0.380 174.537 174.900 0.028 0.000 0.991 206 G CA 0.237 45.363 45.100 0.043 0.000 0.689 206 G HN 0.434 nan 8.290 nan 0.000 0.522 207 D N 0.365 120.785 120.400 0.033 0.000 2.264 207 D HA 0.460 5.105 4.640 0.007 0.000 0.250 207 D C -2.550 173.707 176.300 -0.072 0.000 1.113 207 D CA -1.831 52.156 54.000 -0.022 0.000 0.871 207 D CB 1.443 42.213 40.800 -0.050 0.000 1.167 207 D HN 0.114 nan 8.370 nan 0.000 0.447 208 P HA 0.073 nan 4.420 nan 0.000 0.268 208 P C 0.706 177.897 177.300 -0.182 0.000 1.205 208 P CA -0.279 62.759 63.100 -0.104 0.000 0.771 208 P CB 0.868 32.545 31.700 -0.038 0.000 0.858 209 L N 1.179 122.203 121.223 -0.332 0.000 2.307 209 L HA 0.118 4.463 4.340 0.007 0.000 0.211 209 L C 0.372 176.787 176.870 -0.758 0.000 1.099 209 L CA 0.911 55.365 54.840 -0.643 0.000 0.816 209 L CB -0.196 41.265 42.059 -0.996 0.000 0.952 209 L HN 0.325 nan 8.230 nan 0.000 0.455 210 F N -1.546 118.441 119.950 0.062 0.000 2.631 210 F HA 0.512 5.044 4.527 0.008 0.000 0.328 210 F C -2.282 173.553 175.800 0.059 0.000 1.067 210 F CA -3.072 55.000 58.000 0.120 0.000 0.969 210 F CB -0.186 38.992 39.000 0.298 0.000 1.332 210 F HN -0.397 nan 8.300 nan 0.000 0.490 211 P HA 0.205 nan 4.420 nan 0.000 0.271 211 P C -0.140 177.193 177.300 0.056 0.000 1.216 211 P CA 0.093 63.227 63.100 0.058 0.000 0.771 211 P CB 1.019 32.728 31.700 0.016 0.000 0.864 212 A N 3.203 126.016 122.820 -0.012 0.000 1.929 212 A HA 0.042 4.366 4.320 0.007 0.000 0.216 212 A C 0.411 178.072 177.584 0.129 0.000 1.176 212 A CA 1.505 53.610 52.037 0.113 0.000 0.628 212 A CB -0.834 18.287 19.000 0.201 0.000 0.816 212 A HN 0.693 nan 8.150 nan 0.000 0.444 213 Y N -3.251 117.057 120.300 0.013 0.000 2.689 213 Y HA 0.752 5.306 4.550 0.007 0.000 0.333 213 Y C -0.874 175.001 175.900 -0.042 0.000 1.208 213 Y CA -1.998 56.078 58.100 -0.041 0.000 1.055 213 Y CB 0.655 39.095 38.460 -0.034 0.000 1.304 213 Y HN 0.129 nan 8.280 nan 0.000 0.455 214 R N 1.633 122.251 120.500 0.197 0.000 2.564 214 R HA 0.704 5.048 4.340 0.007 0.000 0.284 214 R C -2.306 174.107 176.300 0.189 0.000 1.031 214 R CA -0.548 55.626 56.100 0.124 0.000 0.904 214 R CB 1.414 31.751 30.300 0.062 0.000 1.199 214 R HN 0.863 nan 8.270 nan 0.000 0.443 215 I N 4.716 125.356 120.570 0.116 0.000 2.331 215 I HA 0.325 4.500 4.170 0.007 0.000 0.292 215 I C 0.097 176.171 176.117 -0.072 0.000 0.998 215 I CA -0.633 60.720 61.300 0.087 0.000 1.267 215 I CB 1.060 39.119 38.000 0.098 0.000 1.386 215 I HN 0.503 nan 8.210 nan 0.000 0.476 216 H N 5.699 124.829 119.070 0.099 0.000 2.524 216 H HA 0.374 4.935 4.556 0.008 0.000 0.353 216 H C -0.527 174.843 175.328 0.070 0.000 1.136 216 H CA -0.851 55.249 56.048 0.087 0.000 1.193 216 H CB 2.145 31.964 29.762 0.095 0.000 1.558 216 H HN 0.483 nan 8.280 nan 0.000 0.515 217 R N 2.064 122.660 120.500 0.159 0.000 2.298 217 R HA 0.277 4.622 4.340 0.007 0.000 0.310 217 R C -1.127 175.248 176.300 0.126 0.000 1.068 217 R CA -0.336 55.832 56.100 0.114 0.000 0.957 217 R CB 0.333 30.675 30.300 0.069 0.000 1.003 217 R HN 0.314 nan 8.270 nan 0.000 0.454 218 V N 6.032 126.022 119.914 0.127 0.000 2.315 218 V HA 0.335 4.459 4.120 0.007 0.000 0.265 218 V C 0.904 177.074 176.094 0.127 0.000 1.019 218 V CA 0.207 62.583 62.300 0.127 0.000 0.824 218 V CB 0.308 32.216 31.823 0.142 0.000 1.072 218 V HN 1.206 nan 8.190 nan 0.000 0.448 219 G N 6.084 114.927 108.800 0.072 0.000 2.543 219 G HA2 -0.217 3.748 3.960 0.007 0.000 0.286 219 G HA3 -0.217 3.748 3.960 0.007 0.000 0.286 219 G C -0.852 174.031 174.900 -0.028 0.000 1.153 219 G CA 0.455 45.572 45.100 0.028 0.000 0.968 219 G HN 0.551 nan 8.290 nan 0.000 0.544 220 P HA 0.268 nan 4.420 nan 0.000 0.245 220 P C 0.045 177.181 177.300 -0.273 0.000 1.203 220 P CA 0.714 63.660 63.100 -0.258 0.000 0.792 220 P CB 0.164 31.599 31.700 -0.440 0.000 0.997 221 Y N 0.821 121.132 120.300 0.018 0.000 2.480 221 Y HA 0.606 5.160 4.550 0.007 0.000 0.323 221 Y C 0.747 176.655 175.900 0.013 0.000 1.267 221 Y CA -1.223 56.882 58.100 0.008 0.000 1.336 221 Y CB 0.689 39.156 38.460 0.010 0.000 1.361 221 Y HN -0.161 nan 8.280 nan 0.000 0.518 222 A N 1.485 124.422 122.820 0.194 0.000 2.343 222 A HA 0.661 4.986 4.320 0.007 0.000 0.308 222 A C -1.990 175.640 177.584 0.076 0.000 1.092 222 A CA -0.572 51.531 52.037 0.110 0.000 0.751 222 A CB 0.846 19.885 19.000 0.065 0.000 1.203 222 A HN 0.595 nan 8.150 nan 0.000 0.452 223 L N 2.741 124.022 121.223 0.098 0.000 2.325 223 L HA 0.782 5.127 4.340 0.007 0.000 0.281 223 L C 0.163 177.094 176.870 0.101 0.000 1.004 223 L CA -0.165 54.717 54.840 0.070 0.000 0.823 223 L CB 1.377 43.483 42.059 0.079 0.000 1.236 223 L HN 0.840 nan 8.230 nan 0.000 0.415 224 A N 5.049 127.886 122.820 0.027 0.000 2.290 224 A HA 0.688 5.012 4.320 0.007 0.000 0.310 224 A C -0.863 176.740 177.584 0.032 0.000 1.202 224 A CA -0.505 51.548 52.037 0.027 0.000 0.837 224 A CB 0.850 19.763 19.000 -0.144 0.000 1.139 224 A HN 0.510 nan 8.150 nan 0.000 0.509 225 V N 4.399 124.366 119.914 0.088 0.000 2.311 225 V HA 0.280 4.404 4.120 0.007 0.000 0.275 225 V C -0.045 176.047 176.094 -0.003 0.000 1.022 225 V CA -0.392 61.913 62.300 0.009 0.000 0.830 225 V CB 0.974 32.780 31.823 -0.028 0.000 1.012 225 V HN 0.632 nan 8.190 nan 0.000 0.452 226 V N 3.973 123.887 119.914 -0.000 0.000 2.539 226 V HA 0.763 4.888 4.120 0.007 0.000 0.292 226 V C 0.838 176.942 176.094 0.017 0.000 1.045 226 V CA -0.212 62.118 62.300 0.050 0.000 0.945 226 V CB 1.760 33.589 31.823 0.011 0.000 0.993 226 V HN 0.887 nan 8.190 nan 0.000 0.464 227 G N 2.146 110.977 108.800 0.051 0.000 2.420 227 G HA2 0.738 4.702 3.960 0.007 0.000 0.331 227 G HA3 0.738 4.702 3.960 0.007 0.000 0.331 227 G C -0.880 174.116 174.900 0.160 0.000 1.168 227 G CA -0.391 44.721 45.100 0.020 0.000 0.936 227 G HN 1.159 nan 8.290 nan 0.000 0.479 228 A N 1.353 124.255 122.820 0.136 0.000 2.402 228 A HA 0.775 5.099 4.320 0.007 0.000 0.291 228 A C -0.074 177.587 177.584 0.128 0.000 1.051 228 A CA -0.473 51.685 52.037 0.202 0.000 0.716 228 A CB 1.608 20.805 19.000 0.328 0.000 1.223 228 A HN 0.722 nan 8.150 nan 0.000 0.425 229 S N 0.468 116.215 115.700 0.078 0.000 2.646 229 S HA 0.488 4.963 4.470 0.007 0.000 0.276 229 S C -0.415 174.313 174.600 0.212 0.000 1.222 229 S CA -0.248 58.072 58.200 0.200 0.000 1.014 229 S CB 0.452 63.832 63.200 0.300 0.000 0.991 229 S HN 0.641 nan 8.310 nan 0.000 0.533 230 Y N 4.997 125.356 120.300 0.100 0.000 2.802 230 Y HA 0.096 4.651 4.550 0.007 0.000 0.333 230 Y C -1.476 174.327 175.900 -0.162 0.000 1.244 230 Y CA -1.543 56.493 58.100 -0.107 0.000 1.558 230 Y CB 0.612 38.842 38.460 -0.384 0.000 1.233 230 Y HN 0.437 nan 8.280 nan 0.000 0.547 231 P HA -0.102 nan 4.420 nan 0.000 0.236 231 P C -0.275 176.441 177.300 -0.973 0.000 1.177 231 P CA 1.286 63.913 63.100 -0.788 0.000 0.773 231 P CB 0.111 31.235 31.700 -0.959 0.000 0.878 232 Y N -1.107 118.615 120.300 -0.963 0.000 2.708 232 Y HA 0.139 4.694 4.550 0.007 0.000 0.287 232 Y C 2.086 177.810 175.900 -0.293 0.000 1.145 232 Y CA -0.447 57.293 58.100 -0.601 0.000 1.249 232 Y CB -0.681 37.432 38.460 -0.578 0.000 1.152 232 Y HN -0.296 nan 8.280 nan 0.000 0.532 233 V N -0.009 119.761 119.914 -0.239 0.000 2.392 233 V HA -0.327 3.797 4.120 0.007 0.000 0.249 233 V C 2.375 178.437 176.094 -0.053 0.000 1.059 233 V CA 2.008 64.235 62.300 -0.122 0.000 1.051 233 V CB -0.255 31.084 31.823 -0.806 0.000 0.658 233 V HN 0.342 nan 8.190 nan 0.000 0.455 234 K N 0.171 120.497 120.400 -0.123 0.000 2.097 234 K HA -0.120 4.204 4.320 0.007 0.000 0.205 234 K C 1.855 178.440 176.600 -0.026 0.000 1.050 234 K CA 1.662 57.917 56.287 -0.053 0.000 0.938 234 K CB -0.084 32.393 32.500 -0.039 0.000 0.718 234 K HN 0.550 nan 8.250 nan 0.000 0.442 235 V N -2.934 116.972 119.914 -0.013 0.000 3.608 235 V HA 0.096 4.221 4.120 0.007 0.000 0.269 235 V C 1.238 177.298 176.094 -0.056 0.000 1.245 235 V CA 1.034 63.318 62.300 -0.027 0.000 1.138 235 V CB 0.767 32.582 31.823 -0.013 0.000 0.841 235 V HN 0.053 nan 8.190 nan 0.000 0.451 236 S N -0.487 115.155 115.700 -0.096 0.000 2.503 236 S HA 0.299 4.774 4.470 0.007 0.000 0.215 236 S C 0.441 174.640 174.600 -0.668 0.000 1.003 236 S CA -0.032 57.979 58.200 -0.315 0.000 0.910 236 S CB -0.113 62.922 63.200 -0.274 0.000 0.790 236 S HN 0.817 nan 8.310 nan 0.000 0.514 237 H N -0.281 118.809 119.070 0.033 0.000 2.977 237 H HA 0.348 4.908 4.556 0.007 0.000 0.350 237 H C -3.141 172.091 175.328 -0.160 0.000 1.238 237 H CA -2.315 53.715 56.048 -0.029 0.000 1.124 237 H CB 0.080 29.891 29.762 0.082 0.000 1.866 237 H HN -0.163 nan 8.280 nan 0.000 0.550 238 P HA -0.033 nan 4.420 nan 0.000 0.261 238 P C 0.342 177.465 177.300 -0.295 0.000 1.183 238 P CA 0.545 63.368 63.100 -0.461 0.000 0.761 238 P CB 0.719 31.813 31.700 -1.009 0.000 0.785 239 E N 1.526 121.613 120.200 -0.188 0.000 2.160 239 E HA -0.202 4.152 4.350 0.007 0.000 0.195 239 E C 1.810 178.366 176.600 -0.072 0.000 0.991 239 E CA 1.857 58.201 56.400 -0.094 0.000 0.810 239 E CB -0.443 29.210 29.700 -0.078 0.000 0.742 239 E HN 0.511 nan 8.360 nan 0.000 0.466 240 S N -0.172 115.434 115.700 -0.158 0.000 2.474 240 S HA -0.109 4.366 4.470 0.007 0.000 0.235 240 S C 1.547 176.184 174.600 0.061 0.000 0.997 240 S CA 0.422 58.571 58.200 -0.084 0.000 0.949 240 S CB -0.325 62.791 63.200 -0.140 0.000 0.766 240 S HN 0.104 nan 8.310 nan 0.000 0.517 241 F N 3.177 123.162 119.950 0.058 0.000 2.259 241 F HA 0.127 4.659 4.527 0.008 0.000 0.298 241 F C 2.352 178.252 175.800 0.165 0.000 1.088 241 F CA 1.014 59.084 58.000 0.116 0.000 1.358 241 F CB -0.895 38.169 39.000 0.106 0.000 1.040 241 F HN 0.475 nan 8.300 nan 0.000 0.505 242 T N -3.319 111.400 114.554 0.276 0.000 3.296 242 T HA 0.227 4.581 4.350 0.007 0.000 0.285 242 T C 0.062 174.831 174.700 0.114 0.000 1.014 242 T CA -0.404 61.804 62.100 0.181 0.000 0.920 242 T CB -0.295 68.612 68.868 0.065 0.000 1.143 242 T HN -0.156 nan 8.240 nan 0.000 0.522 243 E N 1.276 121.541 120.200 0.108 0.000 2.465 243 E HA 0.434 4.788 4.350 0.007 0.000 0.260 243 E C 1.463 178.099 176.600 0.059 0.000 0.980 243 E CA 1.757 58.196 56.400 0.064 0.000 0.927 243 E CB -0.147 29.585 29.700 0.054 0.000 0.934 243 E HN 0.585 nan 8.360 nan 0.000 0.459 244 G N 3.030 111.851 108.800 0.034 0.000 2.175 244 G HA2 -0.240 3.725 3.960 0.007 0.000 0.244 244 G HA3 -0.240 3.725 3.960 0.007 0.000 0.244 244 G C -0.065 174.835 174.900 -0.000 0.000 0.982 244 G CA 0.167 45.281 45.100 0.023 0.000 0.641 244 G HN 0.403 nan 8.290 nan 0.000 0.527 245 L N 0.571 121.794 121.223 -0.002 0.000 2.333 245 L HA 0.818 5.163 4.340 0.007 0.000 0.269 245 L C 0.228 177.095 176.870 -0.006 0.000 1.010 245 L CA -0.785 54.021 54.840 -0.058 0.000 0.818 245 L CB 2.171 44.161 42.059 -0.116 0.000 1.306 245 L HN 0.179 nan 8.230 nan 0.000 0.430 246 S N 0.294 115.946 115.700 -0.081 0.000 2.500 246 S HA 0.600 5.074 4.470 0.007 0.000 0.301 246 S C -0.413 174.123 174.600 -0.107 0.000 1.092 246 S CA -0.393 57.795 58.200 -0.020 0.000 1.030 246 S CB 0.919 64.087 63.200 -0.054 0.000 1.031 246 S HN 0.495 nan 8.310 nan 0.000 0.483 247 F N 2.229 122.047 119.950 -0.219 0.000 2.729 247 F HA 0.440 4.972 4.527 0.007 0.000 0.315 247 F C 1.346 176.965 175.800 -0.302 0.000 1.102 247 F CA -0.359 57.478 58.000 -0.272 0.000 1.204 247 F CB 0.400 39.224 39.000 -0.293 0.000 1.052 247 F HN 0.748 nan 8.300 nan 0.000 0.551 248 A N 1.448 124.217 122.820 -0.085 0.000 2.587 248 A HA 0.078 4.403 4.320 0.007 0.000 0.235 248 A C -0.114 177.375 177.584 -0.157 0.000 1.044 248 A CA -0.208 51.747 52.037 -0.136 0.000 0.754 248 A CB -0.136 18.823 19.000 -0.069 0.000 0.968 248 A HN 0.364 nan 8.150 nan 0.000 0.509 249 L N 2.132 123.245 121.223 -0.183 0.000 2.462 249 L HA 0.294 4.638 4.340 0.007 0.000 0.272 249 L C -0.249 176.649 176.870 0.046 0.000 1.166 249 L CA 0.526 55.319 54.840 -0.078 0.000 0.880 249 L CB 0.444 42.400 42.059 -0.171 0.000 1.142 249 L HN 0.653 nan 8.230 nan 0.000 0.473 250 D N 3.743 124.256 120.400 0.189 0.000 2.389 250 D HA 0.159 4.804 4.640 0.007 0.000 0.256 250 D C 0.592 176.999 176.300 0.178 0.000 1.239 250 D CA -0.230 53.878 54.000 0.181 0.000 0.925 250 D CB 0.924 41.834 40.800 0.183 0.000 1.145 250 D HN 0.726 nan 8.370 nan 0.000 0.542 251 E N 1.743 122.011 120.200 0.114 0.000 2.110 251 E HA -0.177 4.177 4.350 0.007 0.000 0.193 251 E C 1.764 178.368 176.600 0.006 0.000 0.988 251 E CA 0.594 57.025 56.400 0.052 0.000 0.804 251 E CB 0.432 30.178 29.700 0.078 0.000 0.745 251 E HN 0.342 nan 8.360 nan 0.000 0.458 252 R N 1.196 121.714 120.500 0.030 0.000 2.080 252 R HA -0.140 4.205 4.340 0.007 0.000 0.236 252 R C 2.354 178.662 176.300 0.012 0.000 1.137 252 R CA 1.386 57.495 56.100 0.015 0.000 0.943 252 R CB -0.124 30.193 30.300 0.028 0.000 0.846 252 R HN 0.052 nan 8.270 nan 0.000 0.431 253 R N 0.424 120.957 120.500 0.055 0.000 2.092 253 R HA -0.147 4.197 4.340 0.007 0.000 0.231 253 R C 2.419 178.707 176.300 -0.021 0.000 1.119 253 R CA 1.346 57.499 56.100 0.088 0.000 0.970 253 R CB -0.296 30.129 30.300 0.208 0.000 0.864 253 R HN 0.219 nan 8.270 nan 0.000 0.440 254 L N 1.078 122.167 121.223 -0.224 0.000 2.005 254 L HA -0.176 4.169 4.340 0.007 0.000 0.207 254 L C 2.352 179.052 176.870 -0.284 0.000 1.072 254 L CA 1.960 56.430 54.840 -0.616 0.000 0.744 254 L CB -0.776 40.808 42.059 -0.791 0.000 0.895 254 L HN 0.091 nan 8.230 nan 0.000 0.433 255 Q N 0.405 120.104 119.800 -0.169 0.000 2.112 255 Q HA -0.304 4.040 4.340 0.007 0.000 0.206 255 Q C 2.186 178.134 176.000 -0.087 0.000 0.987 255 Q CA 2.480 58.216 55.803 -0.112 0.000 0.858 255 Q CB -0.503 28.192 28.738 -0.072 0.000 0.905 255 Q HN 0.766 nan 8.270 nan 0.000 0.420 256 E N -0.945 119.221 120.200 -0.056 0.000 2.110 256 E HA -0.195 4.160 4.350 0.007 0.000 0.193 256 E C 1.734 178.329 176.600 -0.008 0.000 0.988 256 E CA 1.156 57.543 56.400 -0.022 0.000 0.804 256 E CB -0.345 29.359 29.700 0.007 0.000 0.745 256 E HN 0.407 nan 8.360 nan 0.000 0.458 257 A N 0.928 123.745 122.820 -0.005 0.000 1.969 257 A HA -0.064 4.260 4.320 0.007 0.000 0.218 257 A C 2.390 179.917 177.584 -0.095 0.000 1.169 257 A CA 1.281 53.359 52.037 0.069 0.000 0.635 257 A CB -0.441 18.641 19.000 0.136 0.000 0.810 257 A HN 0.228 nan 8.150 nan 0.000 0.445 258 V N 0.358 120.183 119.914 -0.149 0.000 2.379 258 V HA -0.182 3.943 4.120 0.007 0.000 0.245 258 V C 2.082 178.061 176.094 -0.192 0.000 1.044 258 V CA 2.083 64.258 62.300 -0.207 0.000 1.036 258 V CB -0.701 31.021 31.823 -0.168 0.000 0.664 258 V HN 0.457 nan 8.190 nan 0.000 0.453 259 D N 0.021 120.345 120.400 -0.126 0.000 2.117 259 D HA -0.171 4.473 4.640 0.007 0.000 0.197 259 D C 2.164 178.407 176.300 -0.094 0.000 0.987 259 D CA 1.304 55.246 54.000 -0.096 0.000 0.829 259 D CB -0.116 40.648 40.800 -0.061 0.000 0.961 259 D HN 0.383 nan 8.370 nan 0.000 0.460 260 K N 0.508 120.864 120.400 -0.074 0.000 2.057 260 K HA -0.054 4.271 4.320 0.007 0.000 0.206 260 K C 2.040 178.576 176.600 -0.108 0.000 1.050 260 K CA 1.067 57.342 56.287 -0.020 0.000 0.935 260 K CB -0.012 32.558 32.500 0.116 0.000 0.715 260 K HN -0.001 nan 8.250 nan 0.000 0.439 261 A N 1.604 124.173 122.820 -0.419 0.000 1.892 261 A HA -0.208 4.116 4.320 0.007 0.000 0.218 261 A C 2.089 179.504 177.584 -0.282 0.000 1.188 261 A CA 1.655 53.288 52.037 -0.674 0.000 0.631 261 A CB -0.507 17.858 19.000 -1.059 0.000 0.822 261 A HN 0.330 nan 8.150 nan 0.000 0.447 262 R N -0.820 119.547 120.500 -0.221 0.000 2.092 262 R HA -0.011 4.333 4.340 0.007 0.000 0.231 262 R C 2.472 178.717 176.300 -0.092 0.000 1.119 262 R CA 1.068 57.080 56.100 -0.146 0.000 0.970 262 R CB -0.447 29.769 30.300 -0.140 0.000 0.864 262 R HN 0.513 nan 8.270 nan 0.000 0.440 263 A N 1.343 124.119 122.820 -0.074 0.000 1.972 263 A HA -0.166 4.158 4.320 0.007 0.000 0.219 263 A C 1.601 179.173 177.584 -0.019 0.000 1.169 263 A CA 1.261 53.275 52.037 -0.038 0.000 0.635 263 A CB -0.208 18.778 19.000 -0.023 0.000 0.810 263 A HN 0.301 nan 8.150 nan 0.000 0.446 264 E N -1.735 118.457 120.200 -0.013 0.000 2.502 264 E HA 0.238 4.593 4.350 0.007 0.000 0.194 264 E C 1.102 177.706 176.600 0.005 0.000 1.062 264 E CA 0.322 56.733 56.400 0.018 0.000 0.867 264 E CB -0.016 29.730 29.700 0.076 0.000 0.888 264 E HN 0.741 nan 8.360 nan 0.000 0.510 265 G N 0.951 109.739 108.800 -0.020 0.000 2.255 265 G HA2 -0.226 3.739 3.960 0.007 0.000 0.196 265 G HA3 -0.226 3.739 3.960 0.007 0.000 0.196 265 G C 0.426 175.309 174.900 -0.028 0.000 0.998 265 G CA -0.240 44.850 45.100 -0.017 0.000 0.656 265 G HN 0.391 nan 8.290 nan 0.000 0.490 266 A N 0.294 123.080 122.820 -0.057 0.000 2.548 266 A HA 0.560 4.884 4.320 0.007 0.000 0.247 266 A C 1.032 178.557 177.584 -0.098 0.000 1.067 266 A CA 1.292 53.285 52.037 -0.074 0.000 0.757 266 A CB -0.087 18.833 19.000 -0.133 0.000 0.996 266 A HN 0.522 nan 8.150 nan 0.000 0.504 267 N N 1.278 119.927 118.700 -0.085 0.000 2.336 267 N HA 0.268 5.012 4.740 0.007 0.000 0.177 267 N C 0.433 175.800 175.510 -0.239 0.000 1.018 267 N CA 1.007 53.957 53.050 -0.167 0.000 0.878 267 N CB 0.141 38.557 38.487 -0.119 0.000 0.997 267 N HN 0.772 nan 8.380 nan 0.000 0.433 268 A N 0.304 123.024 122.820 -0.166 0.000 2.401 268 A HA 0.684 5.008 4.320 0.007 0.000 0.310 268 A C -1.167 176.354 177.584 -0.105 0.000 1.075 268 A CA -0.484 51.464 52.037 -0.149 0.000 0.746 268 A CB 1.528 20.454 19.000 -0.124 0.000 1.277 268 A HN -0.091 nan 8.150 nan 0.000 0.425 269 V N 2.159 122.014 119.914 -0.098 0.000 2.444 269 V HA 0.471 4.596 4.120 0.007 0.000 0.294 269 V C -0.622 175.435 176.094 -0.061 0.000 1.022 269 V CA -0.468 61.775 62.300 -0.095 0.000 0.850 269 V CB 1.525 33.270 31.823 -0.131 0.000 0.992 269 V HN 0.673 nan 8.190 nan 0.000 0.426 270 V N 6.048 125.931 119.914 -0.051 0.000 2.417 270 V HA 0.457 4.581 4.120 0.007 0.000 0.291 270 V C -0.400 175.661 176.094 -0.055 0.000 1.024 270 V CA -0.655 61.618 62.300 -0.045 0.000 0.861 270 V CB 1.801 33.598 31.823 -0.043 0.000 0.985 270 V HN 0.665 nan 8.190 nan 0.000 0.436 271 L N 6.317 127.507 121.223 -0.056 0.000 2.255 271 L HA 0.529 4.873 4.340 0.007 0.000 0.289 271 L C -0.519 176.317 176.870 -0.057 0.000 1.046 271 L CA -0.258 54.555 54.840 -0.046 0.000 0.816 271 L CB 1.090 43.127 42.059 -0.036 0.000 1.197 271 L HN 0.627 nan 8.230 nan 0.000 0.427 272 L N 4.985 126.175 121.223 -0.056 0.000 2.312 272 L HA 0.438 4.782 4.340 0.007 0.000 0.287 272 L C -0.006 176.871 176.870 0.012 0.000 1.091 272 L CA 0.723 55.523 54.840 -0.066 0.000 0.846 272 L CB 0.396 42.416 42.059 -0.066 0.000 1.219 272 L HN 0.719 nan 8.230 nan 0.000 0.439 273 S N 3.327 119.053 115.700 0.044 0.000 2.537 273 S HA 0.429 4.903 4.470 0.007 0.000 0.301 273 S C -0.123 174.586 174.600 0.181 0.000 1.092 273 S CA -0.400 57.869 58.200 0.114 0.000 1.048 273 S CB 0.711 63.969 63.200 0.096 0.000 1.053 273 S HN 0.802 nan 8.310 nan 0.000 0.501 274 H N 2.913 122.081 119.070 0.163 0.000 2.549 274 H HA 0.468 5.029 4.556 0.007 0.000 0.253 274 H C 0.769 176.231 175.328 0.224 0.000 1.170 274 H CA -0.213 55.972 56.048 0.228 0.000 0.943 274 H CB 0.054 29.957 29.762 0.235 0.000 1.849 274 H HN 0.515 nan 8.280 nan 0.000 0.603 275 N N 0.448 119.281 118.700 0.221 0.000 2.290 275 N HA 0.102 4.847 4.740 0.007 0.000 0.179 275 N C 0.513 176.168 175.510 0.241 0.000 1.016 275 N CA 1.333 54.487 53.050 0.173 0.000 0.871 275 N CB 0.583 39.130 38.487 0.100 0.000 0.987 275 N HN 0.541 nan 8.380 nan 0.000 0.431 276 G N 0.267 109.225 108.800 0.263 0.000 2.841 276 G HA2 -0.151 3.814 3.960 0.007 0.000 0.684 276 G HA3 -0.151 3.814 3.960 0.007 0.000 0.684 276 G C 0.451 175.499 174.900 0.247 0.000 1.273 276 G CA -0.064 45.249 45.100 0.355 0.000 0.811 276 G HN 0.088 nan 8.290 nan 0.000 0.631 277 M N 0.675 120.415 119.600 0.234 0.000 2.149 277 M HA -0.146 4.339 4.480 0.007 0.000 0.261 277 M C 2.606 179.083 176.300 0.294 0.000 1.064 277 M CA 2.215 57.670 55.300 0.258 0.000 1.102 277 M CB -0.131 32.637 32.600 0.280 0.000 1.369 277 M HN 0.662 nan 8.290 nan 0.000 0.408 278 Q N -0.100 119.865 119.800 0.274 0.000 2.119 278 Q HA -0.145 4.199 4.340 0.007 0.000 0.201 278 Q C 2.048 178.175 176.000 0.213 0.000 0.972 278 Q CA 1.203 57.187 55.803 0.302 0.000 0.847 278 Q CB -0.885 28.036 28.738 0.306 0.000 0.903 278 Q HN 0.474 nan 8.270 nan 0.000 0.433 279 L N 1.693 123.019 121.223 0.172 0.000 2.093 279 L HA -0.133 4.212 4.340 0.007 0.000 0.208 279 L C 1.408 178.322 176.870 0.075 0.000 1.085 279 L CA 1.885 56.777 54.840 0.085 0.000 0.755 279 L CB -0.749 41.346 42.059 0.060 0.000 0.904 279 L HN 0.012 nan 8.230 nan 0.000 0.435 280 D N -0.011 120.449 120.400 0.100 0.000 2.117 280 D HA -0.153 4.491 4.640 0.007 0.000 0.197 280 D C 2.208 178.513 176.300 0.008 0.000 0.987 280 D CA 1.563 55.602 54.000 0.065 0.000 0.829 280 D CB -0.132 40.724 40.800 0.095 0.000 0.961 280 D HN 0.483 nan 8.370 nan 0.000 0.460 281 A N 1.031 123.849 122.820 -0.003 0.000 1.902 281 A HA -0.090 4.234 4.320 0.007 0.000 0.217 281 A C 2.329 179.873 177.584 -0.066 0.000 1.181 281 A CA 2.394 54.334 52.037 -0.162 0.000 0.623 281 A CB -0.765 18.103 19.000 -0.219 0.000 0.818 281 A HN 0.243 nan 8.150 nan 0.000 0.443 282 A N -0.286 122.567 122.820 0.056 0.000 1.902 282 A HA -0.052 4.273 4.320 0.007 0.000 0.217 282 A C 2.156 179.803 177.584 0.105 0.000 1.181 282 A CA 1.487 53.596 52.037 0.121 0.000 0.623 282 A CB -0.626 18.539 19.000 0.275 0.000 0.818 282 A HN 0.478 nan 8.150 nan 0.000 0.443 283 L N -0.800 120.481 121.223 0.097 0.000 2.131 283 L HA -0.216 4.129 4.340 0.007 0.000 0.210 283 L C 3.029 179.893 176.870 -0.010 0.000 1.092 283 L CA 0.957 55.835 54.840 0.064 0.000 0.759 283 L CB -0.549 41.532 42.059 0.038 0.000 0.903 283 L HN 0.467 nan 8.230 nan 0.000 0.435 284 A N -0.691 122.099 122.820 -0.051 0.000 2.019 284 A HA -0.172 4.153 4.320 0.007 0.000 0.219 284 A C 2.097 179.626 177.584 -0.091 0.000 1.164 284 A CA 1.359 53.339 52.037 -0.095 0.000 0.644 284 A CB -0.226 18.678 19.000 -0.161 0.000 0.805 284 A HN 0.365 nan 8.150 nan 0.000 0.449 285 E N -1.097 119.061 120.200 -0.071 0.000 2.474 285 E HA 0.059 4.413 4.350 0.007 0.000 0.194 285 E C 1.549 178.115 176.600 -0.057 0.000 1.041 285 E CA 0.180 56.540 56.400 -0.066 0.000 0.874 285 E CB 0.219 29.886 29.700 -0.056 0.000 0.914 285 E HN 0.631 nan 8.360 nan 0.000 0.498 286 R N -0.343 120.130 120.500 -0.044 0.000 2.369 286 R HA 0.237 4.581 4.340 0.007 0.000 0.210 286 R C 0.594 176.867 176.300 -0.046 0.000 0.881 286 R CA 0.086 56.157 56.100 -0.049 0.000 1.031 286 R CB 1.164 31.440 30.300 -0.040 0.000 1.184 286 R HN -0.052 nan 8.270 nan 0.000 0.581 287 I N 1.486 122.027 120.570 -0.047 0.000 2.460 287 I HA 0.338 4.512 4.170 0.007 0.000 0.298 287 I C -0.022 176.053 176.117 -0.069 0.000 0.989 287 I CA -0.695 60.569 61.300 -0.061 0.000 1.173 287 I CB 1.636 39.592 38.000 -0.073 0.000 1.338 287 I HN -0.034 nan 8.210 nan 0.000 0.456 288 R N 2.099 122.556 120.500 -0.071 0.000 2.474 288 R HA 0.549 4.893 4.340 0.007 0.000 0.295 288 R C 0.721 176.973 176.300 -0.081 0.000 0.980 288 R CA 0.167 56.225 56.100 -0.070 0.000 0.934 288 R CB 1.423 31.686 30.300 -0.060 0.000 1.101 288 R HN 0.972 nan 8.270 nan 0.000 0.469 289 G N 1.991 110.743 108.800 -0.080 0.000 2.157 289 G HA2 -0.250 3.714 3.960 0.007 0.000 0.248 289 G HA3 -0.250 3.714 3.960 0.007 0.000 0.248 289 G C 0.043 174.885 174.900 -0.097 0.000 0.979 289 G CA -0.389 44.656 45.100 -0.092 0.000 0.650 289 G HN 0.485 nan 8.290 nan 0.000 0.529 290 I N 1.414 121.932 120.570 -0.087 0.000 2.304 290 I HA 0.288 4.463 4.170 0.007 0.000 0.291 290 I C 0.571 176.654 176.117 -0.056 0.000 1.018 290 I CA -0.773 60.481 61.300 -0.077 0.000 1.260 290 I CB 1.123 39.076 38.000 -0.077 0.000 1.390 290 I HN -0.067 nan 8.210 nan 0.000 0.475 291 D N 5.133 125.513 120.400 -0.033 0.000 2.240 291 D HA 0.106 4.750 4.640 0.007 0.000 0.206 291 D C 0.121 176.471 176.300 0.084 0.000 0.963 291 D CA 0.999 55.010 54.000 0.018 0.000 0.863 291 D CB 0.722 41.540 40.800 0.030 0.000 0.973 291 D HN 0.229 nan 8.370 nan 0.000 0.501 292 L N 0.391 121.649 121.223 0.059 0.000 2.482 292 L HA 0.444 4.789 4.340 0.007 0.000 0.263 292 L C -1.847 175.037 176.870 0.022 0.000 0.957 292 L CA -0.589 54.306 54.840 0.092 0.000 0.836 292 L CB 2.453 44.564 42.059 0.088 0.000 1.324 292 L HN -0.232 nan 8.230 nan 0.000 0.406 293 I N 5.509 126.099 120.570 0.033 0.000 2.418 293 I HA 0.374 4.548 4.170 0.007 0.000 0.287 293 I C -0.834 175.266 176.117 -0.029 0.000 1.008 293 I CA -0.555 60.743 61.300 -0.004 0.000 1.104 293 I CB 1.810 39.819 38.000 0.015 0.000 1.264 293 I HN 0.462 nan 8.210 nan 0.000 0.438 294 L N 5.943 127.077 121.223 -0.150 0.000 2.288 294 L HA 0.331 4.675 4.340 0.007 0.000 0.283 294 L C 0.003 176.824 176.870 -0.082 0.000 1.072 294 L CA -0.167 54.455 54.840 -0.363 0.000 0.862 294 L CB 0.582 42.029 42.059 -1.021 0.000 1.245 294 L HN 0.562 nan 8.230 nan 0.000 0.432 295 S N 1.985 117.762 115.700 0.128 0.000 2.416 295 S HA 0.469 4.944 4.470 0.007 0.000 0.287 295 S C 0.635 175.390 174.600 0.259 0.000 1.139 295 S CA -0.543 57.774 58.200 0.195 0.000 1.058 295 S CB 1.308 64.632 63.200 0.206 0.000 0.967 295 S HN 0.736 nan 8.310 nan 0.000 0.495 296 G N 0.468 109.378 108.800 0.183 0.000 2.583 296 G HA2 0.487 4.451 3.960 0.007 0.000 0.280 296 G HA3 0.487 4.451 3.960 0.007 0.000 0.280 296 G C 0.247 175.133 174.900 -0.024 0.000 1.376 296 G CA -0.161 44.984 45.100 0.075 0.000 1.043 296 G HN 0.840 nan 8.290 nan 0.000 0.538 297 H N -2.327 116.544 119.070 -0.332 0.000 4.843 297 H HA -0.328 4.232 4.556 0.007 0.000 0.075 297 H C 1.941 177.398 175.328 0.214 0.000 0.584 297 H CA 3.685 59.677 56.048 -0.094 0.000 1.038 297 H CB -1.492 28.162 29.762 -0.179 0.000 0.452 297 H HN 0.731 nan 8.280 nan 0.000 0.765 298 T N -1.902 112.700 114.554 0.081 0.000 3.113 298 T HA 0.083 4.437 4.350 0.007 0.000 0.256 298 T C 0.680 175.436 174.700 0.094 0.000 1.131 298 T CA 0.793 62.885 62.100 -0.013 0.000 1.074 298 T CB -0.392 68.501 68.868 0.041 0.000 0.944 298 T HN 0.831 nan 8.240 nan 0.000 0.516 299 H N 0.965 120.049 119.070 0.024 0.000 2.899 299 H HA -0.110 4.450 4.556 0.008 0.000 0.282 299 H C -0.716 174.615 175.328 0.006 0.000 1.198 299 H CA 0.144 56.221 56.048 0.048 0.000 1.140 299 H CB -1.521 28.279 29.762 0.063 0.000 1.317 299 H HN 0.505 nan 8.280 nan 0.000 0.375 300 D N 0.717 121.187 120.400 0.116 0.000 2.383 300 D HA 0.459 5.104 4.640 0.007 0.000 0.248 300 D C 0.700 177.017 176.300 0.029 0.000 1.170 300 D CA -0.136 53.890 54.000 0.044 0.000 0.977 300 D CB 1.526 42.347 40.800 0.035 0.000 1.120 300 D HN 0.124 nan 8.370 nan 0.000 0.481 301 L N 0.259 121.473 121.223 -0.016 0.000 2.410 301 L HA 0.310 4.654 4.340 0.007 0.000 0.270 301 L C -0.361 176.431 176.870 -0.130 0.000 0.983 301 L CA -0.467 54.336 54.840 -0.062 0.000 0.822 301 L CB 2.155 44.158 42.059 -0.093 0.000 1.285 301 L HN 0.411 nan 8.230 nan 0.000 0.409 302 T N -0.734 113.731 114.554 -0.149 0.000 3.141 302 T HA 0.324 4.679 4.350 0.007 0.000 0.377 302 T C -2.355 172.146 174.700 -0.332 0.000 1.258 302 T CA -1.675 60.283 62.100 -0.237 0.000 1.263 302 T CB 1.235 70.153 68.868 0.083 0.000 1.066 302 T HN 0.198 nan 8.240 nan 0.000 0.546 303 P HA -0.029 nan 4.420 nan 0.000 0.221 303 P C 0.283 177.486 177.300 -0.161 0.000 1.145 303 P CA 0.906 63.780 63.100 -0.376 0.000 0.795 303 P CB 0.222 31.662 31.700 -0.434 0.000 0.775 304 R N -0.704 119.762 120.500 -0.056 0.000 2.686 304 R HA 0.378 4.723 4.340 0.007 0.000 0.286 304 R C -2.626 173.813 176.300 0.232 0.000 0.969 304 R CA -2.421 53.762 56.100 0.138 0.000 0.898 304 R CB 1.539 32.014 30.300 0.292 0.000 1.183 304 R HN -0.070 nan 8.270 nan 0.000 0.456 305 P HA -0.079 nan 4.420 nan 0.000 0.269 305 P C -0.895 176.775 177.300 0.616 0.000 1.209 305 P CA -0.191 63.082 63.100 0.289 0.000 0.776 305 P CB 0.649 32.371 31.700 0.037 0.000 0.876 306 W N 5.157 126.705 121.300 0.413 0.000 2.358 306 W HA 0.328 4.992 4.660 0.007 0.000 0.307 306 W C 0.018 176.760 176.519 0.371 0.000 1.203 306 W CA -1.196 56.381 57.345 0.386 0.000 1.279 306 W CB 0.015 29.643 29.460 0.280 0.000 1.264 306 W HN 0.263 nan 8.180 nan 0.000 0.474 307 R N 4.795 125.566 120.500 0.451 0.000 2.210 307 R HA 0.463 4.808 4.340 0.007 0.000 0.338 307 R C -1.618 174.496 176.300 -0.309 0.000 1.062 307 R CA -0.043 55.974 56.100 -0.139 0.000 0.902 307 R CB 0.228 30.325 30.300 -0.338 0.000 1.050 307 R HN 0.218 nan 8.270 nan 0.000 0.461 308 V N 5.747 125.397 119.914 -0.440 0.000 2.483 308 V HA 0.599 4.723 4.120 0.007 0.000 0.297 308 V C 1.093 177.005 176.094 -0.302 0.000 1.027 308 V CA 0.018 62.058 62.300 -0.433 0.000 0.855 308 V CB 0.935 32.371 31.823 -0.645 0.000 0.995 308 V HN 1.023 nan 8.190 nan 0.000 0.424 309 G N 5.499 114.166 108.800 -0.221 0.000 2.634 309 G HA2 -0.323 3.641 3.960 0.007 0.000 0.318 309 G HA3 -0.323 3.641 3.960 0.007 0.000 0.318 309 G C 0.463 175.236 174.900 -0.211 0.000 1.207 309 G CA 0.887 45.883 45.100 -0.174 0.000 0.987 309 G HN 0.720 nan 8.290 nan 0.000 0.547 310 K N 0.977 121.259 120.400 -0.197 0.000 2.593 310 K HA 0.433 4.758 4.320 0.007 0.000 0.208 310 K C -0.235 176.216 176.600 -0.247 0.000 1.051 310 K CA 0.240 56.401 56.287 -0.209 0.000 1.111 310 K CB 1.073 33.502 32.500 -0.118 0.000 0.849 310 K HN 0.367 nan 8.250 nan 0.000 0.479 311 T N -0.021 114.356 114.554 -0.294 0.000 2.887 311 T HA 0.381 4.736 4.350 0.007 0.000 0.288 311 T C -1.104 173.432 174.700 -0.273 0.000 1.021 311 T CA -0.628 61.337 62.100 -0.225 0.000 1.000 311 T CB 1.236 70.019 68.868 -0.143 0.000 1.034 311 T HN 0.161 nan 8.240 nan 0.000 0.467 312 W N 1.944 123.235 121.300 -0.015 0.000 2.469 312 W HA 0.697 5.362 4.660 0.009 0.000 0.320 312 W C -0.365 176.169 176.519 0.024 0.000 1.086 312 W CA -0.836 56.522 57.345 0.022 0.000 1.211 312 W CB 0.946 30.434 29.460 0.047 0.000 1.298 312 W HN 0.331 nan 8.180 nan 0.000 0.525 313 I N 3.694 124.484 120.570 0.366 0.000 2.465 313 I HA 0.427 4.601 4.170 0.007 0.000 0.291 313 I C -0.769 175.539 176.117 0.318 0.000 1.014 313 I CA -1.180 60.285 61.300 0.275 0.000 1.093 313 I CB 1.548 39.689 38.000 0.235 0.000 1.267 313 I HN -0.048 nan 8.210 nan 0.000 0.431 314 V N 5.162 125.209 119.914 0.221 0.000 2.483 314 V HA 0.588 4.712 4.120 0.007 0.000 0.297 314 V C 0.308 176.558 176.094 0.261 0.000 1.027 314 V CA -0.604 61.824 62.300 0.213 0.000 0.855 314 V CB 1.668 33.580 31.823 0.149 0.000 0.995 314 V HN 0.854 nan 8.190 nan 0.000 0.424 315 A N 3.239 126.216 122.820 0.262 0.000 2.304 315 A HA 0.673 4.997 4.320 0.007 0.000 0.271 315 A C 1.280 179.050 177.584 0.310 0.000 1.091 315 A CA 0.286 52.487 52.037 0.272 0.000 0.812 315 A CB 0.759 19.862 19.000 0.173 0.000 1.056 315 A HN 1.156 nan 8.150 nan 0.000 0.489 316 G N -0.447 108.490 108.800 0.228 0.000 3.189 316 G HA2 0.374 4.338 3.960 0.007 0.000 0.225 316 G HA3 0.374 4.338 3.960 0.007 0.000 0.225 316 G C 0.658 175.490 174.900 -0.113 0.000 1.159 316 G CA 1.054 46.068 45.100 -0.143 0.000 0.763 316 G HN 1.526 nan 8.290 nan 0.000 0.549 317 S N -1.609 114.086 115.700 -0.008 0.000 3.236 317 S HA 0.083 4.557 4.470 0.007 0.000 0.629 317 S C 0.266 174.842 174.600 -0.040 0.000 2.873 317 S CA 1.335 59.530 58.200 -0.008 0.000 3.603 317 S CB -1.139 62.049 63.200 -0.019 0.000 0.287 317 S HN 2.105 nan 8.310 nan 0.000 1.458 318 A N -0.838 121.975 122.820 -0.011 0.000 2.544 318 A HA 0.855 5.179 4.320 0.007 0.000 0.291 318 A C 0.542 178.189 177.584 0.105 0.000 1.055 318 A CA 0.828 52.840 52.037 -0.041 0.000 0.651 318 A CB -0.123 18.724 19.000 -0.255 0.000 1.296 318 A HN 2.642 nan 8.150 nan 0.000 0.431 319 A N -0.850 122.004 122.820 0.056 0.000 2.829 319 A HA 0.291 4.616 4.320 0.007 0.000 0.267 319 A C 2.053 179.675 177.584 0.063 0.000 1.370 319 A CA 2.367 54.421 52.037 0.027 0.000 0.900 319 A CB -1.927 17.027 19.000 -0.076 0.000 1.044 319 A HN 3.185 nan 8.150 nan 0.000 0.691 320 G N -1.018 107.784 108.800 0.003 0.000 2.148 320 G HA2 -0.348 3.617 3.960 0.007 0.000 0.254 320 G HA3 -0.348 3.617 3.960 0.007 0.000 0.254 320 G C 0.749 175.626 174.900 -0.038 0.000 0.981 320 G CA 1.436 46.496 45.100 -0.066 0.000 0.670 320 G HN 2.005 nan 8.290 nan 0.000 0.528 321 K N -0.212 120.190 120.400 0.003 0.000 2.211 321 K HA 0.475 4.799 4.320 0.007 0.000 0.203 321 K C 0.978 177.567 176.600 -0.018 0.000 1.050 321 K CA 1.377 57.654 56.287 -0.016 0.000 0.945 321 K CB 0.120 32.615 32.500 -0.009 0.000 0.732 321 K HN 1.401 nan 8.250 nan 0.000 0.451 322 A N 0.973 123.787 122.820 -0.010 0.000 2.549 322 A HA 0.554 4.879 4.320 0.007 0.000 0.297 322 A C -1.910 175.685 177.584 0.019 0.000 1.061 322 A CA -0.907 51.131 52.037 0.003 0.000 0.690 322 A CB 1.665 20.659 19.000 -0.011 0.000 1.287 322 A HN 0.201 nan 8.150 nan 0.000 0.402 323 L N 1.789 123.040 121.223 0.046 0.000 2.298 323 L HA 0.751 5.095 4.340 0.007 0.000 0.284 323 L C -0.793 176.130 176.870 0.087 0.000 1.013 323 L CA -0.420 54.468 54.840 0.081 0.000 0.824 323 L CB 1.097 43.205 42.059 0.081 0.000 1.221 323 L HN 0.695 nan 8.230 nan 0.000 0.418 324 M N 5.386 125.047 119.600 0.102 0.000 2.105 324 M HA 0.380 4.864 4.480 0.007 0.000 0.350 324 M C -0.172 176.218 176.300 0.150 0.000 1.308 324 M CA 0.334 55.712 55.300 0.130 0.000 1.108 324 M CB 0.553 33.282 32.600 0.216 0.000 1.622 324 M HN 0.447 nan 8.290 nan 0.000 0.468 325 R N 3.120 123.676 120.500 0.093 0.000 2.207 325 R HA 0.615 4.960 4.340 0.007 0.000 0.334 325 R C -1.645 174.678 176.300 0.037 0.000 1.013 325 R CA -0.329 55.816 56.100 0.076 0.000 0.858 325 R CB 0.693 31.029 30.300 0.059 0.000 1.094 325 R HN 0.541 nan 8.270 nan 0.000 0.457 326 V N 5.214 125.153 119.914 0.042 0.000 2.326 326 V HA 0.225 4.349 4.120 0.007 0.000 0.281 326 V C -0.618 175.479 176.094 0.006 0.000 1.015 326 V CA -0.874 61.426 62.300 0.000 0.000 0.823 326 V CB 1.452 33.281 31.823 0.010 0.000 1.009 326 V HN 0.779 nan 8.190 nan 0.000 0.436 327 D N 5.617 126.003 120.400 -0.022 0.000 2.198 327 D HA 0.550 5.194 4.640 0.007 0.000 0.245 327 D C -0.444 175.936 176.300 0.134 0.000 1.079 327 D CA -0.100 53.943 54.000 0.072 0.000 0.854 327 D CB 2.625 43.496 40.800 0.118 0.000 1.148 327 D HN 0.326 nan 8.370 nan 0.000 0.456 328 L N 1.723 123.044 121.223 0.163 0.000 2.341 328 L HA 0.400 4.745 4.340 0.007 0.000 0.278 328 L C 0.396 177.361 176.870 0.157 0.000 1.005 328 L CA -0.799 54.134 54.840 0.155 0.000 0.818 328 L CB 1.864 43.972 42.059 0.081 0.000 1.259 328 L HN -0.021 nan 8.230 nan 0.000 0.418 329 K N 4.425 124.917 120.400 0.153 0.000 2.281 329 K HA 0.573 4.897 4.320 0.007 0.000 0.272 329 K C -0.938 175.688 176.600 0.044 0.000 1.048 329 K CA -0.403 55.917 56.287 0.054 0.000 0.898 329 K CB 1.308 33.810 32.500 0.003 0.000 1.128 329 K HN 0.449 nan 8.250 nan 0.000 0.460 330 L N 3.345 124.530 121.223 -0.064 0.000 2.387 330 L HA 0.589 4.933 4.340 0.007 0.000 0.266 330 L C -0.081 176.530 176.870 -0.431 0.000 1.059 330 L CA -1.007 53.671 54.840 -0.271 0.000 0.801 330 L CB 0.711 42.465 42.059 -0.508 0.000 1.223 330 L HN 0.649 nan 8.230 nan 0.000 0.456 331 W N 0.271 121.199 121.300 -0.619 0.000 3.032 331 W HA 0.399 5.064 4.660 0.007 0.000 0.341 331 W C 0.236 176.572 176.519 -0.305 0.000 1.202 331 W CA -0.958 56.129 57.345 -0.431 0.000 1.132 331 W CB 1.351 30.740 29.460 -0.118 0.000 1.465 331 W HN 0.485 nan 8.180 nan 0.000 0.576 332 K N 0.315 120.735 120.400 0.033 0.000 2.173 332 K HA -0.150 4.174 4.320 0.007 0.000 0.207 332 K C 1.515 177.704 176.600 -0.685 0.000 1.046 332 K CA 2.341 58.555 56.287 -0.122 0.000 0.929 332 K CB -0.667 31.895 32.500 0.103 0.000 0.720 332 K HN 0.717 nan 8.250 nan 0.000 0.453 333 G N -0.841 106.866 108.800 -1.823 0.000 3.393 333 G HA2 0.398 4.363 3.960 0.007 0.000 0.255 333 G HA3 0.398 4.363 3.960 0.007 0.000 0.255 333 G C 0.211 174.325 174.900 -1.311 0.000 1.097 333 G CA 0.268 44.349 45.100 -1.699 0.000 0.780 333 G HN 0.593 nan 8.290 nan 0.000 0.540 334 G N -0.127 107.904 108.800 -1.281 0.000 2.491 334 G HA2 0.170 4.135 3.960 0.007 0.000 0.183 334 G HA3 0.170 4.135 3.960 0.007 0.000 0.183 334 G C -1.507 173.274 174.900 -0.198 0.000 1.221 334 G CA -0.899 43.908 45.100 -0.488 0.000 0.996 334 G HN 0.217 nan 8.290 nan 0.000 0.474 335 I N 2.245 122.899 120.570 0.140 0.000 2.312 335 I HA 0.500 4.674 4.170 0.007 0.000 0.290 335 I C 1.436 177.799 176.117 0.410 0.000 1.008 335 I CA -0.078 61.362 61.300 0.234 0.000 1.226 335 I CB 1.736 39.865 38.000 0.214 0.000 1.371 335 I HN 0.748 nan 8.210 nan 0.000 0.468 336 A N 5.521 128.577 122.820 0.394 0.000 1.872 336 A HA 0.015 4.339 4.320 0.007 0.000 0.214 336 A C 0.979 178.671 177.584 0.181 0.000 1.187 336 A CA 1.420 53.583 52.037 0.209 0.000 0.614 336 A CB -0.046 19.001 19.000 0.078 0.000 0.826 336 A HN 0.707 nan 8.150 nan 0.000 0.442 337 N N -2.090 116.724 118.700 0.190 0.000 3.020 337 N HA 0.577 5.322 4.740 0.007 0.000 0.248 337 N C -1.654 173.954 175.510 0.163 0.000 1.480 337 N CA -0.170 52.989 53.050 0.181 0.000 0.874 337 N CB 1.544 40.142 38.487 0.185 0.000 1.433 337 N HN 0.514 nan 8.380 nan 0.000 0.530 338 L N -1.603 119.633 121.223 0.021 0.000 2.518 338 L HA 0.699 5.044 4.340 0.007 0.000 0.257 338 L C -1.229 175.437 176.870 -0.340 0.000 0.980 338 L CA -0.907 53.879 54.840 -0.090 0.000 0.837 338 L CB 2.605 44.543 42.059 -0.202 0.000 1.410 338 L HN 0.497 nan 8.230 nan 0.000 0.410 339 R N 2.008 122.212 120.500 -0.494 0.000 2.437 339 R HA 0.793 5.137 4.340 0.007 0.000 0.310 339 R C -1.861 174.251 176.300 -0.314 0.000 0.955 339 R CA -0.534 55.227 56.100 -0.566 0.000 0.851 339 R CB 2.184 31.922 30.300 -0.936 0.000 1.161 339 R HN 0.664 nan 8.270 nan 0.000 0.446 340 V N 5.375 125.145 119.914 -0.240 0.000 2.448 340 V HA 0.580 4.705 4.120 0.007 0.000 0.295 340 V C -0.356 175.673 176.094 -0.108 0.000 1.025 340 V CA -0.840 61.375 62.300 -0.141 0.000 0.859 340 V CB 1.673 33.425 31.823 -0.119 0.000 0.988 340 V HN 0.684 nan 8.190 nan 0.000 0.431 341 R N 3.228 123.688 120.500 -0.066 0.000 2.502 341 R HA 0.492 4.836 4.340 0.007 0.000 0.300 341 R C -1.259 175.027 176.300 -0.024 0.000 0.984 341 R CA -0.677 55.391 56.100 -0.054 0.000 0.882 341 R CB 2.126 32.396 30.300 -0.050 0.000 1.180 341 R HN 0.469 nan 8.270 nan 0.000 0.444 342 V N 5.619 125.507 119.914 -0.043 0.000 2.389 342 V HA 0.239 4.364 4.120 0.007 0.000 0.264 342 V C 0.497 176.579 176.094 -0.020 0.000 1.049 342 V CA -0.301 61.981 62.300 -0.030 0.000 0.932 342 V CB 0.682 32.463 31.823 -0.069 0.000 1.011 342 V HN 0.448 nan 8.190 nan 0.000 0.475 343 L N 8.600 129.844 121.223 0.036 0.000 2.255 343 L HA 0.402 4.746 4.340 0.007 0.000 0.289 343 L C -2.314 174.634 176.870 0.130 0.000 1.046 343 L CA -1.836 53.067 54.840 0.104 0.000 0.816 343 L CB 1.332 43.522 42.059 0.218 0.000 1.197 343 L HN 0.399 nan 8.230 nan 0.000 0.427 344 P HA 0.020 nan 4.420 nan 0.000 0.271 344 P C -0.326 177.084 177.300 0.182 0.000 1.220 344 P CA -0.199 62.953 63.100 0.087 0.000 0.768 344 P CB 0.814 32.520 31.700 0.010 0.000 0.848 345 V N 5.794 125.759 119.914 0.085 0.000 2.313 345 V HA 0.111 4.235 4.120 0.007 0.000 0.252 345 V C 0.386 176.525 176.094 0.075 0.000 1.112 345 V CA 0.154 62.483 62.300 0.048 0.000 0.984 345 V CB -0.808 31.004 31.823 -0.019 0.000 1.157 345 V HN 0.384 nan 8.190 nan 0.000 0.493 346 L N 4.045 125.356 121.223 0.147 0.000 2.283 346 L HA 0.463 4.807 4.340 0.007 0.000 0.281 346 L C 1.523 178.474 176.870 0.134 0.000 1.033 346 L CA -0.351 54.612 54.840 0.206 0.000 0.848 346 L CB 1.341 43.625 42.059 0.374 0.000 1.226 346 L HN 0.603 nan 8.230 nan 0.000 0.429 347 A N 2.367 125.217 122.820 0.050 0.000 1.948 347 A HA -0.190 4.135 4.320 0.007 0.000 0.220 347 A C 1.930 179.482 177.584 -0.055 0.000 1.177 347 A CA 1.638 53.668 52.037 -0.010 0.000 0.636 347 A CB -0.223 18.761 19.000 -0.028 0.000 0.815 347 A HN 0.825 nan 8.150 nan 0.000 0.449 348 E N -1.235 118.895 120.200 -0.117 0.000 2.418 348 E HA -0.103 4.251 4.350 0.007 0.000 0.197 348 E C 0.448 176.721 176.600 -0.545 0.000 1.026 348 E CA 0.678 56.871 56.400 -0.345 0.000 0.862 348 E CB -0.057 29.365 29.700 -0.463 0.000 0.799 348 E HN 0.784 nan 8.360 nan 0.000 0.518 349 H N -0.996 118.122 119.070 0.079 0.000 2.662 349 H HA 0.288 4.848 4.556 0.007 0.000 0.268 349 H C -0.074 175.293 175.328 0.066 0.000 1.152 349 H CA 0.043 56.153 56.048 0.103 0.000 1.072 349 H CB 0.683 30.546 29.762 0.168 0.000 1.660 349 H HN 0.003 nan 8.280 nan 0.000 0.584 350 L N 2.220 123.470 121.223 0.045 0.000 2.354 350 L HA 0.415 4.760 4.340 0.007 0.000 0.264 350 L C -1.972 174.876 176.870 -0.036 0.000 1.008 350 L CA -1.923 52.893 54.840 -0.040 0.000 0.819 350 L CB 2.488 44.485 42.059 -0.104 0.000 1.339 350 L HN -0.009 nan 8.230 nan 0.000 0.420 351 P HA 0.230 nan 4.420 nan 0.000 0.275 351 P C -1.163 176.119 177.300 -0.029 0.000 1.266 351 P CA -0.611 62.473 63.100 -0.027 0.000 0.793 351 P CB 0.808 32.493 31.700 -0.024 0.000 1.074 352 K N -0.410 119.980 120.400 -0.018 0.000 2.154 352 K HA 0.550 4.874 4.320 0.007 0.000 0.264 352 K C -0.152 176.445 176.600 -0.005 0.000 1.008 352 K CA -0.354 55.926 56.287 -0.011 0.000 0.937 352 K CB 0.343 32.841 32.500 -0.003 0.000 1.002 352 K HN 0.492 nan 8.250 nan 0.000 0.469 353 A N 3.378 126.201 122.820 0.005 0.000 2.654 353 A HA 0.196 4.520 4.320 0.007 0.000 0.345 353 A C 0.478 178.080 177.584 0.030 0.000 1.368 353 A CA -0.462 51.584 52.037 0.016 0.000 0.895 353 A CB -0.088 18.930 19.000 0.031 0.000 1.143 353 A HN 0.746 nan 8.150 nan 0.000 0.490 354 E N 1.657 121.871 120.200 0.023 0.000 2.097 354 E HA -0.257 4.097 4.350 0.007 0.000 0.196 354 E C 1.220 177.849 176.600 0.049 0.000 1.000 354 E CA 1.813 58.232 56.400 0.031 0.000 0.804 354 E CB -0.037 29.675 29.700 0.020 0.000 0.740 354 E HN 0.938 nan 8.360 nan 0.000 0.454 355 D N 0.687 121.114 120.400 0.044 0.000 2.178 355 D HA -0.113 4.532 4.640 0.007 0.000 0.201 355 D C 2.033 178.399 176.300 0.110 0.000 0.980 355 D CA 0.784 54.819 54.000 0.059 0.000 0.842 355 D CB -0.570 40.243 40.800 0.021 0.000 0.948 355 D HN 0.099 nan 8.370 nan 0.000 0.472 356 V N 1.315 121.295 119.914 0.110 0.000 2.379 356 V HA -0.167 3.958 4.120 0.007 0.000 0.245 356 V C 2.619 178.827 176.094 0.191 0.000 1.044 356 V CA 1.627 64.036 62.300 0.182 0.000 1.036 356 V CB -0.396 31.537 31.823 0.184 0.000 0.664 356 V HN 0.129 nan 8.190 nan 0.000 0.453 357 E N 0.802 121.072 120.200 0.115 0.000 2.077 357 E HA -0.210 4.144 4.350 0.007 0.000 0.193 357 E C 2.378 179.042 176.600 0.107 0.000 0.989 357 E CA 1.574 58.031 56.400 0.095 0.000 0.800 357 E CB -0.482 29.253 29.700 0.059 0.000 0.746 357 E HN 0.569 nan 8.360 nan 0.000 0.452 358 A N 1.162 124.047 122.820 0.109 0.000 1.902 358 A HA -0.168 4.156 4.320 0.007 0.000 0.217 358 A C 2.053 179.714 177.584 0.129 0.000 1.181 358 A CA 1.274 53.370 52.037 0.098 0.000 0.623 358 A CB -0.820 18.231 19.000 0.086 0.000 0.818 358 A HN 0.304 nan 8.150 nan 0.000 0.443 359 F N 0.527 120.498 119.950 0.035 0.000 2.171 359 F HA -0.092 4.440 4.527 0.007 0.000 0.300 359 F C 1.755 177.582 175.800 0.045 0.000 1.090 359 F CA 1.571 59.593 58.000 0.038 0.000 1.293 359 F CB -0.162 38.866 39.000 0.047 0.000 1.013 359 F HN 0.133 nan 8.300 nan 0.000 0.486 360 L N 0.333 121.548 121.223 -0.013 0.000 2.109 360 L HA -0.156 4.189 4.340 0.007 0.000 0.207 360 L C 2.583 179.444 176.870 -0.015 0.000 1.086 360 L CA 1.465 56.252 54.840 -0.087 0.000 0.760 360 L CB -0.762 41.322 42.059 0.043 0.000 0.910 360 L HN 0.109 nan 8.230 nan 0.000 0.437 361 K N 0.718 121.136 120.400 0.029 0.000 2.097 361 K HA -0.184 4.141 4.320 0.007 0.000 0.206 361 K C 2.096 178.682 176.600 -0.023 0.000 1.049 361 K CA 1.386 57.693 56.287 0.033 0.000 0.933 361 K CB -0.029 32.489 32.500 0.030 0.000 0.717 361 K HN 0.261 nan 8.250 nan 0.000 0.442 362 A N 0.807 123.581 122.820 -0.076 0.000 1.929 362 A HA -0.119 4.206 4.320 0.007 0.000 0.216 362 A C 2.032 179.521 177.584 -0.157 0.000 1.176 362 A CA 0.973 52.949 52.037 -0.103 0.000 0.628 362 A CB -0.321 18.627 19.000 -0.088 0.000 0.816 362 A HN 0.329 nan 8.150 nan 0.000 0.444 363 Q N -0.490 119.144 119.800 -0.277 0.000 2.167 363 Q HA 0.044 4.388 4.340 0.007 0.000 0.202 363 Q C 1.477 177.436 176.000 -0.068 0.000 0.970 363 Q CA 1.080 56.722 55.803 -0.268 0.000 0.855 363 Q CB -0.117 28.318 28.738 -0.505 0.000 0.911 363 Q HN 0.697 nan 8.270 nan 0.000 0.438 364 L N -0.826 120.396 121.223 -0.002 0.000 2.906 364 L HA 0.300 4.644 4.340 0.007 0.000 0.255 364 L C 1.827 178.729 176.870 0.053 0.000 1.166 364 L CA 0.021 54.931 54.840 0.117 0.000 0.977 364 L CB -0.074 42.128 42.059 0.239 0.000 1.313 364 L HN -0.045 nan 8.230 nan 0.000 0.549 365 A N 1.756 124.563 122.820 -0.022 0.000 1.873 365 A HA -0.135 4.190 4.320 0.007 0.000 0.218 365 A C -0.092 177.424 177.584 -0.114 0.000 1.193 365 A CA 1.842 53.853 52.037 -0.044 0.000 0.629 365 A CB -1.688 17.277 19.000 -0.059 0.000 0.826 365 A HN 0.269 nan 8.150 nan 0.000 0.447 366 P HA -0.139 nan 4.420 nan 0.000 0.217 366 P C 0.298 177.343 177.300 -0.426 0.000 1.148 366 P CA 1.615 64.466 63.100 -0.416 0.000 0.828 366 P CB -0.241 31.037 31.700 -0.703 0.000 0.783 367 H N -2.524 116.515 119.070 -0.052 0.000 2.594 367 H HA 0.222 4.783 4.556 0.007 0.000 0.279 367 H C 1.862 177.132 175.328 -0.097 0.000 1.042 367 H CA -0.225 55.782 56.048 -0.068 0.000 1.177 367 H CB -0.090 29.623 29.762 -0.081 0.000 1.524 367 H HN 0.103 nan 8.280 nan 0.000 0.537 368 Q N 0.923 120.738 119.800 0.025 0.000 2.062 368 Q HA -0.214 4.130 4.340 0.007 0.000 0.209 368 Q C 1.145 177.157 176.000 0.019 0.000 0.996 368 Q CA 2.016 57.858 55.803 0.066 0.000 0.859 368 Q CB 0.139 28.949 28.738 0.120 0.000 0.920 368 Q HN 0.485 nan 8.270 nan 0.000 0.415 369 D N -1.334 119.085 120.400 0.032 0.000 2.117 369 D HA -0.161 4.484 4.640 0.007 0.000 0.197 369 D C 1.707 178.028 176.300 0.035 0.000 0.987 369 D CA 1.357 55.382 54.000 0.042 0.000 0.829 369 D CB -0.298 40.527 40.800 0.041 0.000 0.961 369 D HN 0.359 nan 8.370 nan 0.000 0.460 370 H N 0.531 119.546 119.070 -0.092 0.000 2.293 370 H HA 0.032 4.593 4.556 0.007 0.000 0.300 370 H C 2.160 177.394 175.328 -0.158 0.000 1.082 370 H CA 1.331 57.288 56.048 -0.152 0.000 1.308 370 H CB -0.494 29.132 29.762 -0.227 0.000 1.375 370 H HN 0.036 nan 8.280 nan 0.000 0.495 371 L N -1.031 119.920 121.223 -0.453 0.000 2.093 371 L HA -0.118 4.227 4.340 0.007 0.000 0.208 371 L C 1.216 177.617 176.870 -0.782 0.000 1.085 371 L CA 1.064 55.429 54.840 -0.790 0.000 0.755 371 L CB -0.145 41.163 42.059 -1.252 0.000 0.904 371 L HN 0.286 nan 8.230 nan 0.000 0.435 372 F N -1.863 118.025 119.950 -0.104 0.000 2.682 372 F HA 0.167 4.699 4.527 0.008 0.000 0.308 372 F C 1.051 176.806 175.800 -0.074 0.000 1.093 372 F CA -0.604 57.314 58.000 -0.137 0.000 1.244 372 F CB -0.681 38.208 39.000 -0.185 0.000 1.052 372 F HN -0.240 nan 8.300 nan 0.000 0.573 373 T N 3.754 118.351 114.554 0.073 0.000 2.884 373 T HA 0.213 4.567 4.350 0.007 0.000 0.298 373 T C -2.355 172.382 174.700 0.061 0.000 0.998 373 T CA -1.011 61.133 62.100 0.074 0.000 1.124 373 T CB 0.838 69.752 68.868 0.077 0.000 0.931 373 T HN -0.225 nan 8.240 nan 0.000 0.531 374 P HA 0.215 nan 4.420 nan 0.000 0.271 374 P C 0.297 177.612 177.300 0.025 0.000 1.216 374 P CA -0.098 63.029 63.100 0.044 0.000 0.776 374 P CB 0.625 32.351 31.700 0.044 0.000 0.881 375 L N 1.330 122.552 121.223 -0.002 0.000 2.362 375 L HA 0.405 4.749 4.340 0.007 0.000 0.204 375 L C 0.997 177.845 176.870 -0.035 0.000 1.060 375 L CA 0.596 55.412 54.840 -0.041 0.000 0.827 375 L CB -0.069 41.909 42.059 -0.134 0.000 1.027 375 L HN 0.409 nan 8.230 nan 0.000 0.474 376 A N -0.915 121.898 122.820 -0.013 0.000 2.599 376 A HA 0.649 4.973 4.320 0.007 0.000 0.290 376 A C -1.584 176.013 177.584 0.022 0.000 1.101 376 A CA -0.398 51.630 52.037 -0.015 0.000 0.674 376 A CB 1.413 20.385 19.000 -0.047 0.000 1.277 376 A HN -0.230 nan 8.150 nan 0.000 0.419 377 V N 1.072 120.995 119.914 0.015 0.000 2.459 377 V HA 0.647 4.771 4.120 0.007 0.000 0.295 377 V C 0.484 176.599 176.094 0.035 0.000 1.029 377 V CA -0.377 61.943 62.300 0.033 0.000 0.874 377 V CB 1.613 33.450 31.823 0.024 0.000 0.985 377 V HN 0.960 nan 8.190 nan 0.000 0.438 378 S N 2.795 118.528 115.700 0.055 0.000 2.480 378 S HA 0.319 4.793 4.470 0.007 0.000 0.286 378 S C 0.801 175.430 174.600 0.050 0.000 1.180 378 S CA -0.526 57.709 58.200 0.058 0.000 1.075 378 S CB 1.054 64.306 63.200 0.087 0.000 0.996 378 S HN 0.807 nan 8.310 nan 0.000 0.487 379 E N 2.104 122.329 120.200 0.042 0.000 2.385 379 E HA 0.060 4.414 4.350 0.007 0.000 0.194 379 E C 0.622 177.252 176.600 0.049 0.000 1.013 379 E CA 0.439 56.862 56.400 0.038 0.000 0.866 379 E CB 0.348 30.065 29.700 0.029 0.000 0.832 379 E HN 0.807 nan 8.360 nan 0.000 0.500 380 T N -1.626 112.966 114.554 0.064 0.000 2.907 380 T HA 0.423 4.777 4.350 0.007 0.000 0.290 380 T C -0.403 174.365 174.700 0.114 0.000 1.066 380 T CA -1.027 61.123 62.100 0.085 0.000 1.012 380 T CB 1.572 70.492 68.868 0.088 0.000 1.184 380 T HN -0.056 nan 8.240 nan 0.000 0.522 381 L N 1.331 122.644 121.223 0.151 0.000 2.534 381 L HA 0.398 4.743 4.340 0.007 0.000 0.271 381 L C -0.791 176.222 176.870 0.239 0.000 1.178 381 L CA 0.007 54.973 54.840 0.209 0.000 0.907 381 L CB -0.496 41.716 42.059 0.255 0.000 1.164 381 L HN 0.566 nan 8.230 nan 0.000 0.482 382 L N 7.809 129.169 121.223 0.228 0.000 2.277 382 L HA 0.386 4.731 4.340 0.007 0.000 0.284 382 L C -0.805 176.235 176.870 0.284 0.000 1.028 382 L CA -0.706 54.259 54.840 0.207 0.000 0.835 382 L CB 0.287 42.497 42.059 0.251 0.000 1.215 382 L HN 0.654 nan 8.230 nan 0.000 0.425 383 Y N 1.192 121.578 120.300 0.143 0.000 2.549 383 Y HA 0.631 5.185 4.550 0.008 0.000 0.339 383 Y C 0.316 176.303 175.900 0.145 0.000 1.053 383 Y CA -1.165 57.001 58.100 0.110 0.000 1.105 383 Y CB 1.651 40.096 38.460 -0.026 0.000 1.258 383 Y HN 0.294 nan 8.280 nan 0.000 0.478 384 K N 0.826 121.393 120.400 0.278 0.000 2.325 384 K HA 0.334 4.658 4.320 0.007 0.000 0.203 384 K C 0.054 176.739 176.600 0.142 0.000 1.128 384 K CA 0.151 56.558 56.287 0.200 0.000 0.931 384 K CB 0.343 33.026 32.500 0.304 0.000 1.125 384 K HN 0.676 nan 8.250 nan 0.000 0.487 385 R N 1.631 122.210 120.500 0.131 0.000 2.442 385 R HA 0.181 4.526 4.340 0.007 0.000 0.291 385 R C -0.971 175.385 176.300 0.094 0.000 1.069 385 R CA 0.518 56.644 56.100 0.043 0.000 1.022 385 R CB 0.458 30.698 30.300 -0.101 0.000 0.976 385 R HN 0.354 nan 8.270 nan 0.000 0.443 386 D N -0.396 120.050 120.400 0.077 0.000 2.951 386 D HA -0.013 4.631 4.640 0.007 0.000 0.262 386 D C 0.231 176.611 176.300 0.133 0.000 1.110 386 D CA -0.287 53.784 54.000 0.118 0.000 0.724 386 D CB 0.814 41.749 40.800 0.225 0.000 1.516 386 D HN 0.279 nan 8.370 nan 0.000 0.447 387 T N 0.924 115.584 114.554 0.177 0.000 2.746 387 T HA -0.021 4.333 4.350 0.007 0.000 0.267 387 T C 1.496 176.339 174.700 0.239 0.000 1.039 387 T CA 1.308 63.533 62.100 0.209 0.000 1.142 387 T CB -0.023 69.025 68.868 0.299 0.000 0.866 387 T HN 0.356 nan 8.240 nan 0.000 0.444 388 L N -2.669 118.732 121.223 0.297 0.000 2.730 388 L HA 0.434 4.778 4.340 0.007 0.000 0.236 388 L C -0.064 176.967 176.870 0.269 0.000 1.061 388 L CA -0.249 54.753 54.840 0.270 0.000 0.898 388 L CB 0.692 42.879 42.059 0.213 0.000 1.270 388 L HN 0.196 nan 8.230 nan 0.000 0.500 389 Y N 0.573 120.971 120.300 0.163 0.000 2.552 389 Y HA 0.574 5.128 4.550 0.007 0.000 0.337 389 Y C -0.892 175.067 175.900 0.099 0.000 1.094 389 Y CA -0.993 57.166 58.100 0.099 0.000 1.028 389 Y CB 1.901 40.394 38.460 0.053 0.000 1.321 389 Y HN -0.019 nan 8.280 nan 0.000 0.456 390 S N 1.127 116.249 115.700 -0.964 0.000 2.579 390 S HA 0.331 4.806 4.470 0.007 0.000 0.272 390 S C 0.166 174.012 174.600 -1.256 0.000 1.141 390 S CA -0.117 57.477 58.200 -1.010 0.000 0.843 390 S CB 1.216 64.101 63.200 -0.525 0.000 1.122 390 S HN 0.999 nan 8.310 nan 0.000 0.468 391 T N -1.341 112.508 114.554 -1.176 0.000 2.904 391 T HA -0.059 4.295 4.350 0.007 0.000 0.267 391 T C 1.488 175.924 174.700 -0.440 0.000 1.059 391 T CA 0.746 62.476 62.100 -0.616 0.000 1.137 391 T CB -0.603 68.076 68.868 -0.314 0.000 0.879 391 T HN 0.753 nan 8.240 nan 0.000 0.467 392 W N 2.715 123.680 121.300 -0.558 0.000 2.354 392 W HA -0.160 4.505 4.660 0.008 0.000 0.315 392 W C 1.169 177.417 176.519 -0.451 0.000 1.206 392 W CA 1.484 58.537 57.345 -0.487 0.000 1.290 392 W CB -0.351 28.774 29.460 -0.559 0.000 1.152 392 W HN 0.232 nan 8.180 nan 0.000 0.489 393 D N 0.220 120.286 120.400 -0.556 0.000 2.182 393 D HA -0.269 4.376 4.640 0.007 0.000 0.201 393 D C 2.065 178.015 176.300 -0.582 0.000 0.986 393 D CA 1.813 55.485 54.000 -0.547 0.000 0.847 393 D CB -0.461 40.177 40.800 -0.271 0.000 0.942 393 D HN 0.453 nan 8.370 nan 0.000 0.467 394 Q N 0.612 120.066 119.800 -0.576 0.000 2.079 394 Q HA -0.101 4.243 4.340 0.007 0.000 0.200 394 Q C 2.412 177.974 176.000 -0.730 0.000 0.974 394 Q CA 0.588 56.059 55.803 -0.553 0.000 0.840 394 Q CB -0.166 28.390 28.738 -0.304 0.000 0.898 394 Q HN 0.271 nan 8.270 nan 0.000 0.430 395 L N 0.209 121.036 121.223 -0.659 0.000 2.043 395 L HA -0.197 4.148 4.340 0.007 0.000 0.212 395 L C 2.169 178.564 176.870 -0.791 0.000 1.075 395 L CA 1.263 55.717 54.840 -0.643 0.000 0.752 395 L CB -0.255 41.444 42.059 -0.600 0.000 0.891 395 L HN 0.180 nan 8.230 nan 0.000 0.432 396 V N 0.188 119.534 119.914 -0.947 0.000 2.343 396 V HA -0.223 3.901 4.120 0.007 0.000 0.247 396 V C 2.662 178.408 176.094 -0.580 0.000 1.051 396 V CA 1.835 63.676 62.300 -0.766 0.000 1.036 396 V CB -1.365 30.047 31.823 -0.684 0.000 0.654 396 V HN 0.678 nan 8.190 nan 0.000 0.451 397 G N -0.655 107.762 108.800 -0.639 0.000 2.418 397 G HA2 -0.232 3.732 3.960 0.007 0.000 0.217 397 G HA3 -0.232 3.732 3.960 0.007 0.000 0.217 397 G C 1.476 175.942 174.900 -0.723 0.000 1.158 397 G CA 0.834 45.570 45.100 -0.607 0.000 0.771 397 G HN 0.560 nan 8.290 nan 0.000 0.545 398 E N 0.427 120.019 120.200 -1.014 0.000 2.110 398 E HA -0.024 4.330 4.350 0.007 0.000 0.193 398 E C 2.915 179.091 176.600 -0.707 0.000 0.988 398 E CA 0.691 56.676 56.400 -0.690 0.000 0.804 398 E CB -0.148 29.204 29.700 -0.580 0.000 0.745 398 E HN 0.417 nan 8.360 nan 0.000 0.458 399 A N 0.809 123.063 122.820 -0.943 0.000 1.902 399 A HA -0.137 4.187 4.320 0.007 0.000 0.217 399 A C 2.473 179.720 177.584 -0.563 0.000 1.181 399 A CA 1.110 52.412 52.037 -1.224 0.000 0.623 399 A CB -0.571 17.885 19.000 -0.906 0.000 0.818 399 A HN 0.112 nan 8.150 nan 0.000 0.443 400 V N 0.271 119.982 119.914 -0.339 0.000 2.307 400 V HA -0.239 3.885 4.120 0.007 0.000 0.245 400 V C 2.433 178.521 176.094 -0.010 0.000 1.045 400 V CA 2.211 64.463 62.300 -0.079 0.000 1.024 400 V CB -0.611 31.184 31.823 -0.047 0.000 0.651 400 V HN 0.500 nan 8.190 nan 0.000 0.449 401 K N 0.084 120.447 120.400 -0.062 0.000 2.148 401 K HA -0.067 4.258 4.320 0.007 0.000 0.204 401 K C 2.238 178.822 176.600 -0.028 0.000 1.050 401 K CA 1.327 57.619 56.287 0.008 0.000 0.942 401 K CB -0.303 32.250 32.500 0.088 0.000 0.724 401 K HN 0.480 nan 8.250 nan 0.000 0.446 402 A N 1.167 123.923 122.820 -0.107 0.000 1.968 402 A HA -0.065 4.259 4.320 0.007 0.000 0.217 402 A C 1.948 179.487 177.584 -0.075 0.000 1.169 402 A CA 1.038 53.039 52.037 -0.059 0.000 0.638 402 A CB -0.252 18.733 19.000 -0.026 0.000 0.812 402 A HN 0.149 nan 8.150 nan 0.000 0.446 403 I N -2.761 117.711 120.570 -0.164 0.000 3.228 403 I HA 0.004 4.179 4.170 0.007 0.000 0.279 403 I C -0.112 175.657 176.117 -0.581 0.000 1.221 403 I CA 0.652 61.738 61.300 -0.357 0.000 1.458 403 I CB 0.187 37.925 38.000 -0.436 0.000 1.105 403 I HN 0.296 nan 8.210 nan 0.000 0.445 404 Y N 0.471 120.747 120.300 -0.039 0.000 2.584 404 Y HA 0.324 4.878 4.550 0.007 0.000 0.358 404 Y C -1.948 173.922 175.900 -0.049 0.000 1.028 404 Y CA -2.376 55.695 58.100 -0.048 0.000 1.148 404 Y CB 0.012 38.414 38.460 -0.097 0.000 1.126 404 Y HN -0.060 nan 8.280 nan 0.000 0.658 405 P HA -0.172 nan 4.420 nan 0.000 0.222 405 P C 0.811 178.133 177.300 0.036 0.000 1.142 405 P CA 1.560 64.681 63.100 0.035 0.000 0.788 405 P CB 0.417 32.129 31.700 0.020 0.000 0.767 406 E N -1.022 119.206 120.200 0.046 0.000 2.285 406 E HA -0.002 4.353 4.350 0.007 0.000 0.194 406 E C 0.296 176.890 176.600 -0.010 0.000 0.997 406 E CA 0.062 56.477 56.400 0.026 0.000 0.845 406 E CB -0.056 29.663 29.700 0.032 0.000 0.782 406 E HN 0.049 nan 8.360 nan 0.000 0.491 407 V N 2.369 122.271 119.914 -0.020 0.000 2.599 407 V HA -0.085 4.039 4.120 0.007 0.000 0.300 407 V C 1.010 177.083 176.094 -0.035 0.000 1.034 407 V CA 0.844 63.103 62.300 -0.068 0.000 1.115 407 V CB 0.919 32.696 31.823 -0.076 0.000 0.934 407 V HN 0.196 nan 8.190 nan 0.000 0.485 408 E N 2.914 123.091 120.200 -0.039 0.000 2.290 408 E HA 0.141 4.495 4.350 0.007 0.000 0.197 408 E C -0.037 176.514 176.600 -0.082 0.000 0.948 408 E CA 0.361 56.752 56.400 -0.016 0.000 0.895 408 E CB 1.058 30.815 29.700 0.094 0.000 0.865 408 E HN 0.680 nan 8.360 nan 0.000 0.486 409 V N -0.950 118.907 119.914 -0.095 0.000 2.686 409 V HA 0.528 4.652 4.120 0.007 0.000 0.306 409 V C -0.578 175.446 176.094 -0.116 0.000 1.065 409 V CA -1.137 61.057 62.300 -0.176 0.000 0.894 409 V CB 1.987 33.653 31.823 -0.262 0.000 1.004 409 V HN -0.223 nan 8.190 nan 0.000 0.424 410 V N 4.518 124.365 119.914 -0.112 0.000 2.378 410 V HA 0.521 4.645 4.120 0.007 0.000 0.288 410 V C -0.640 175.420 176.094 -0.058 0.000 1.016 410 V CA -0.228 62.074 62.300 0.004 0.000 0.840 410 V CB 1.198 33.062 31.823 0.068 0.000 0.994 410 V HN 0.777 nan 8.190 nan 0.000 0.431 411 F N 2.428 122.376 119.950 -0.004 0.000 2.390 411 F HA 0.441 4.972 4.527 0.007 0.000 0.361 411 F C 1.018 176.789 175.800 -0.048 0.000 1.124 411 F CA 0.171 58.167 58.000 -0.007 0.000 1.149 411 F CB 1.333 40.338 39.000 0.009 0.000 1.160 411 F HN 0.401 nan 8.300 nan 0.000 0.501 412 S N 5.051 120.782 115.700 0.051 0.000 2.541 412 S HA 0.416 4.890 4.470 0.007 0.000 0.283 412 S C -2.465 172.051 174.600 -0.139 0.000 1.196 412 S CA -1.436 56.703 58.200 -0.101 0.000 1.062 412 S CB 1.224 64.407 63.200 -0.027 0.000 1.009 412 S HN 0.260 nan 8.310 nan 0.000 0.502 413 P HA 0.206 nan 4.420 nan 0.000 0.276 413 P C -0.955 176.324 177.300 -0.034 0.000 1.253 413 P CA -0.305 62.723 63.100 -0.119 0.000 0.766 413 P CB 0.588 32.224 31.700 -0.107 0.000 0.845 414 A N 4.508 127.333 122.820 0.009 0.000 3.033 414 A HA 0.286 4.610 4.320 0.007 0.000 0.250 414 A C 0.873 178.436 177.584 -0.035 0.000 1.633 414 A CA -0.485 51.552 52.037 -0.000 0.000 1.290 414 A CB -1.296 17.724 19.000 0.033 0.000 1.048 414 A HN 0.507 nan 8.150 nan 0.000 0.648 415 V N -2.248 117.589 119.914 -0.128 0.000 3.096 415 V HA 0.236 4.361 4.120 0.007 0.000 0.306 415 V C 0.976 176.883 176.094 -0.312 0.000 1.088 415 V CA -0.328 61.807 62.300 -0.276 0.000 1.129 415 V CB 0.457 31.799 31.823 -0.803 0.000 1.014 415 V HN 0.594 nan 8.190 nan 0.000 0.486 416 R N 1.998 122.317 120.500 -0.301 0.000 2.334 416 R HA 0.198 4.542 4.340 0.007 0.000 0.216 416 R C 0.226 176.572 176.300 0.077 0.000 0.905 416 R CA 0.026 55.985 56.100 -0.235 0.000 1.064 416 R CB 0.240 30.227 30.300 -0.521 0.000 1.046 416 R HN 0.913 nan 8.270 nan 0.000 0.508 417 W N 0.418 121.667 121.300 -0.086 0.000 2.359 417 W HA 0.663 5.327 4.660 0.007 0.000 0.344 417 W C -0.034 176.440 176.519 -0.074 0.000 1.170 417 W CA -0.475 56.782 57.345 -0.147 0.000 1.296 417 W CB 0.554 29.434 29.460 -0.968 0.000 1.197 417 W HN 0.065 nan 8.180 nan 0.000 0.618 418 G N 0.215 109.048 108.800 0.056 0.000 2.373 418 G HA2 0.318 4.283 3.960 0.007 0.000 0.250 418 G HA3 0.318 4.283 3.960 0.007 0.000 0.250 418 G C -1.465 173.058 174.900 -0.629 0.000 1.304 418 G CA -0.079 44.912 45.100 -0.181 0.000 0.948 418 G HN 0.779 nan 8.290 nan 0.000 0.474 419 T N -1.530 112.658 114.554 -0.610 0.000 2.681 419 T HA 0.743 5.097 4.350 0.007 0.000 0.296 419 T C -1.419 173.296 174.700 0.025 0.000 1.157 419 T CA 0.474 62.361 62.100 -0.354 0.000 1.025 419 T CB 1.696 70.285 68.868 -0.465 0.000 1.441 419 T HN 1.058 nan 8.240 nan 0.000 0.504 420 T N 2.453 117.130 114.554 0.205 0.000 2.879 420 T HA 0.596 4.950 4.350 0.007 0.000 0.290 420 T C -0.929 173.914 174.700 0.239 0.000 0.993 420 T CA -0.582 61.693 62.100 0.291 0.000 0.975 420 T CB 0.757 69.824 68.868 0.332 0.000 0.981 420 T HN 0.417 nan 8.240 nan 0.000 0.439 421 I N 3.776 124.460 120.570 0.191 0.000 2.336 421 I HA 0.383 4.557 4.170 0.007 0.000 0.292 421 I C 0.305 176.496 176.117 0.125 0.000 0.991 421 I CA -0.875 60.488 61.300 0.105 0.000 1.227 421 I CB 0.981 39.023 38.000 0.071 0.000 1.366 421 I HN 0.513 nan 8.210 nan 0.000 0.466 422 L N 7.150 128.399 121.223 0.044 0.000 2.439 422 L HA 0.354 4.698 4.340 0.007 0.000 0.261 422 L C -2.075 174.811 176.870 0.027 0.000 1.153 422 L CA -1.687 53.148 54.840 -0.008 0.000 0.808 422 L CB 0.447 42.383 42.059 -0.206 0.000 1.126 422 L HN 0.270 nan 8.230 nan 0.000 0.460 423 P HA 0.037 nan 4.420 nan 0.000 0.265 423 P C 0.629 177.940 177.300 0.019 0.000 1.193 423 P CA 0.620 63.741 63.100 0.036 0.000 0.765 423 P CB 0.646 32.366 31.700 0.033 0.000 0.823 424 G N 1.125 109.942 108.800 0.029 0.000 2.184 424 G HA2 -0.294 3.671 3.960 0.007 0.000 0.264 424 G HA3 -0.294 3.671 3.960 0.007 0.000 0.264 424 G C 0.186 175.108 174.900 0.037 0.000 0.975 424 G CA 0.131 45.247 45.100 0.026 0.000 0.642 424 G HN 0.690 nan 8.290 nan 0.000 0.536 425 Q N 0.417 120.246 119.800 0.048 0.000 2.230 425 Q HA 0.703 5.047 4.340 0.007 0.000 0.248 425 Q C 0.418 176.476 176.000 0.097 0.000 0.915 425 Q CA -0.065 55.785 55.803 0.077 0.000 0.900 425 Q CB 1.094 29.884 28.738 0.088 0.000 1.229 425 Q HN 0.870 nan 8.270 nan 0.000 0.439 426 A N 4.297 127.192 122.820 0.124 0.000 2.354 426 A HA 0.425 4.749 4.320 0.007 0.000 0.269 426 A C -0.390 177.325 177.584 0.219 0.000 1.109 426 A CA -0.553 51.563 52.037 0.131 0.000 0.800 426 A CB 0.259 19.321 19.000 0.103 0.000 1.045 426 A HN 0.808 nan 8.150 nan 0.000 0.489 427 I N 2.320 123.005 120.570 0.192 0.000 2.365 427 I HA 0.336 4.510 4.170 0.007 0.000 0.291 427 I C 0.941 177.182 176.117 0.207 0.000 1.004 427 I CA 0.025 61.501 61.300 0.293 0.000 1.311 427 I CB 1.520 39.632 38.000 0.186 0.000 1.401 427 I HN 0.824 nan 8.210 nan 0.000 0.491 428 T N 0.364 115.057 114.554 0.230 0.000 2.940 428 T HA 0.283 4.637 4.350 0.007 0.000 0.288 428 T C 0.549 175.153 174.700 -0.161 0.000 1.045 428 T CA -0.631 61.435 62.100 -0.056 0.000 1.018 428 T CB 1.175 69.958 68.868 -0.142 0.000 1.151 428 T HN 0.590 nan 8.240 nan 0.000 0.529 429 W N 0.303 121.402 121.300 -0.336 0.000 2.338 429 W HA -0.029 4.635 4.660 0.007 0.000 0.304 429 W C 2.182 178.342 176.519 -0.598 0.000 1.212 429 W CA 1.634 58.630 57.345 -0.581 0.000 1.264 429 W CB -0.257 28.677 29.460 -0.877 0.000 1.142 429 W HN 0.908 nan 8.180 nan 0.000 0.512 430 D N -1.549 118.742 120.400 -0.182 0.000 2.149 430 D HA -0.214 4.430 4.640 0.007 0.000 0.198 430 D C 1.704 177.968 176.300 -0.059 0.000 0.990 430 D CA 1.734 55.689 54.000 -0.075 0.000 0.839 430 D CB -0.252 40.503 40.800 -0.075 0.000 0.948 430 D HN 0.291 nan 8.370 nan 0.000 0.460 431 H N -0.823 118.201 119.070 -0.077 0.000 2.357 431 H HA 0.015 4.576 4.556 0.007 0.000 0.301 431 H C 2.201 177.456 175.328 -0.121 0.000 1.082 431 H CA 0.708 56.670 56.048 -0.142 0.000 1.342 431 H CB 0.105 29.829 29.762 -0.064 0.000 1.389 431 H HN 0.122 nan 8.280 nan 0.000 0.511 432 L N -0.021 121.204 121.223 0.003 0.000 2.079 432 L HA -0.241 4.103 4.340 0.007 0.000 0.210 432 L C 1.939 178.873 176.870 0.107 0.000 1.081 432 L CA 1.152 56.002 54.840 0.017 0.000 0.752 432 L CB -0.449 41.436 42.059 -0.290 0.000 0.896 432 L HN 0.374 nan 8.230 nan 0.000 0.433 433 Y N -0.178 120.196 120.300 0.123 0.000 2.314 433 Y HA -0.070 4.484 4.550 0.007 0.000 0.293 433 Y C 2.618 178.550 175.900 0.053 0.000 1.129 433 Y CA 0.476 58.618 58.100 0.070 0.000 1.201 433 Y CB -0.960 37.476 38.460 -0.040 0.000 0.999 433 Y HN 0.092 nan 8.280 nan 0.000 0.541 434 A N -1.059 121.815 122.820 0.089 0.000 1.969 434 A HA -0.173 4.152 4.320 0.007 0.000 0.218 434 A C 1.686 179.285 177.584 0.024 0.000 1.169 434 A CA 1.473 53.459 52.037 -0.085 0.000 0.635 434 A CB -0.870 17.944 19.000 -0.310 0.000 0.810 434 A HN 0.448 nan 8.150 nan 0.000 0.445 435 Y N 0.021 120.343 120.300 0.037 0.000 2.389 435 Y HA 0.033 4.587 4.550 0.008 0.000 0.292 435 Y C 2.259 178.331 175.900 0.286 0.000 1.117 435 Y CA 1.492 59.561 58.100 -0.051 0.000 1.195 435 Y CB 0.139 38.298 38.460 -0.502 0.000 1.076 435 Y HN 0.409 nan 8.280 nan 0.000 0.548 436 T N -4.196 110.754 114.554 0.660 0.000 3.337 436 T HA 0.292 4.646 4.350 0.007 0.000 0.299 436 T C 1.228 176.470 174.700 0.904 0.000 0.998 436 T CA 0.077 62.683 62.100 0.843 0.000 0.948 436 T CB -0.203 69.096 68.868 0.718 0.000 1.170 436 T HN 0.173 nan 8.240 nan 0.000 0.508 437 G N 1.361 110.536 108.800 0.626 0.000 3.263 437 G HA2 0.378 4.342 3.960 0.007 0.000 0.246 437 G HA3 0.378 4.342 3.960 0.007 0.000 0.246 437 G C -0.178 174.849 174.900 0.212 0.000 0.982 437 G CA -0.455 44.874 45.100 0.383 0.000 1.897 437 G HN 0.531 nan 8.290 nan 0.000 0.624 438 F N -0.080 120.110 119.950 0.400 0.000 2.406 438 F HA 0.216 4.748 4.527 0.008 0.000 0.327 438 F C 2.147 178.097 175.800 0.251 0.000 1.153 438 F CA 0.073 58.216 58.000 0.239 0.000 1.218 438 F CB 1.164 40.176 39.000 0.020 0.000 1.215 438 F HN 0.165 nan 8.300 nan 0.000 0.570 439 T N -2.207 112.642 114.554 0.491 0.000 3.085 439 T HA -0.087 4.267 4.350 0.007 0.000 0.263 439 T C 0.006 175.092 174.700 0.644 0.000 1.127 439 T CA 0.641 63.033 62.100 0.487 0.000 1.103 439 T CB -0.793 68.305 68.868 0.384 0.000 0.921 439 T HN 0.566 nan 8.240 nan 0.000 0.510 440 Y N -0.501 120.158 120.300 0.599 0.000 2.562 440 Y HA 0.586 5.141 4.550 0.007 0.000 0.363 440 Y C -2.567 173.571 175.900 0.396 0.000 0.991 440 Y CA -3.044 55.338 58.100 0.470 0.000 1.121 440 Y CB 0.844 39.592 38.460 0.480 0.000 1.159 440 Y HN -0.052 nan 8.280 nan 0.000 0.651 441 P HA -0.002 nan 4.420 nan 0.000 0.253 441 P C -0.479 176.831 177.300 0.017 0.000 1.260 441 P CA 0.288 63.478 63.100 0.151 0.000 0.800 441 P CB 0.331 32.127 31.700 0.160 0.000 1.162 442 E N 0.987 121.221 120.200 0.057 0.000 2.465 442 E HA -0.009 4.346 4.350 0.007 0.000 0.260 442 E C 0.154 176.687 176.600 -0.111 0.000 0.980 442 E CA -0.215 56.115 56.400 -0.117 0.000 0.927 442 E CB 0.685 30.219 29.700 -0.277 0.000 0.934 442 E HN 0.138 nan 8.360 nan 0.000 0.459 443 L N 4.300 125.443 121.223 -0.133 0.000 2.276 443 L HA 0.257 4.602 4.340 0.007 0.000 0.286 443 L C -1.320 175.533 176.870 -0.030 0.000 1.061 443 L CA -0.409 54.441 54.840 0.016 0.000 0.807 443 L CB 0.237 42.291 42.059 -0.007 0.000 1.177 443 L HN 0.308 nan 8.230 nan 0.000 0.429 444 Y N 4.997 125.424 120.300 0.211 0.000 2.409 444 Y HA 0.622 5.177 4.550 0.007 0.000 0.339 444 Y C -0.606 175.314 175.900 0.033 0.000 1.033 444 Y CA -0.771 57.490 58.100 0.268 0.000 1.094 444 Y CB 1.703 40.369 38.460 0.344 0.000 1.210 444 Y HN 0.389 nan 8.280 nan 0.000 0.456 445 L N 5.006 126.202 121.223 -0.045 0.000 2.333 445 L HA 0.591 4.935 4.340 0.007 0.000 0.280 445 L C -1.004 175.815 176.870 -0.084 0.000 1.004 445 L CA -0.765 53.814 54.840 -0.435 0.000 0.820 445 L CB 0.556 42.047 42.059 -0.946 0.000 1.247 445 L HN 0.550 nan 8.230 nan 0.000 0.416 446 F N 0.894 120.714 119.950 -0.217 0.000 2.693 446 F HA 0.569 5.100 4.527 0.007 0.000 0.309 446 F C -1.448 174.216 175.800 -0.227 0.000 1.129 446 F CA -1.471 56.437 58.000 -0.154 0.000 0.948 446 F CB 0.835 39.811 39.000 -0.040 0.000 1.315 446 F HN 0.157 nan 8.300 nan 0.000 0.447 447 Y N 2.144 122.554 120.300 0.183 0.000 2.304 447 Y HA 0.692 5.247 4.550 0.007 0.000 0.328 447 Y C -0.115 175.907 175.900 0.203 0.000 1.123 447 Y CA -0.500 57.673 58.100 0.122 0.000 1.218 447 Y CB 1.230 39.739 38.460 0.082 0.000 1.207 447 Y HN 0.488 nan 8.280 nan 0.000 0.495 448 L N 3.774 125.188 121.223 0.319 0.000 2.381 448 L HA 0.561 4.905 4.340 0.007 0.000 0.268 448 L C -0.295 176.738 176.870 0.271 0.000 0.997 448 L CA -1.082 53.917 54.840 0.265 0.000 0.818 448 L CB 2.208 44.402 42.059 0.226 0.000 1.310 448 L HN 0.562 nan 8.230 nan 0.000 0.416 449 R N 0.447 121.066 120.500 0.199 0.000 2.582 449 R HA 0.184 4.528 4.340 0.007 0.000 0.271 449 R C 1.237 177.681 176.300 0.240 0.000 1.078 449 R CA 0.326 56.541 56.100 0.193 0.000 1.127 449 R CB 0.821 31.188 30.300 0.111 0.000 1.038 449 R HN 0.880 nan 8.270 nan 0.000 0.500 450 G N 1.132 110.127 108.800 0.325 0.000 2.469 450 G HA2 -0.338 3.627 3.960 0.007 0.000 0.220 450 G HA3 -0.338 3.627 3.960 0.007 0.000 0.220 450 G C 1.302 176.268 174.900 0.111 0.000 1.136 450 G CA 1.042 46.308 45.100 0.277 0.000 0.759 450 G HN 0.679 nan 8.290 nan 0.000 0.562 451 A N 0.181 123.059 122.820 0.097 0.000 1.969 451 A HA -0.035 4.290 4.320 0.007 0.000 0.218 451 A C 2.320 179.928 177.584 0.040 0.000 1.169 451 A CA 1.769 53.837 52.037 0.053 0.000 0.635 451 A CB -0.295 18.731 19.000 0.044 0.000 0.810 451 A HN 0.483 nan 8.150 nan 0.000 0.445 452 Q N -0.602 119.231 119.800 0.056 0.000 2.172 452 Q HA -0.036 4.309 4.340 0.007 0.000 0.200 452 Q C 1.919 177.944 176.000 0.040 0.000 0.964 452 Q CA 1.199 57.026 55.803 0.039 0.000 0.855 452 Q CB -0.266 28.501 28.738 0.048 0.000 0.918 452 Q HN 0.742 nan 8.270 nan 0.000 0.444 453 I N 1.068 121.676 120.570 0.064 0.000 2.142 453 I HA -0.318 3.856 4.170 0.007 0.000 0.240 453 I C 2.449 178.578 176.117 0.021 0.000 1.078 453 I CA 1.383 62.737 61.300 0.089 0.000 1.343 453 I CB -0.253 37.766 38.000 0.031 0.000 1.046 453 I HN 0.113 nan 8.210 nan 0.000 0.405 454 K N 1.977 122.364 120.400 -0.022 0.000 2.032 454 K HA -0.176 4.148 4.320 0.007 0.000 0.209 454 K C 2.054 178.636 176.600 -0.030 0.000 1.048 454 K CA 2.014 58.272 56.287 -0.049 0.000 0.927 454 K CB -0.553 31.926 32.500 -0.034 0.000 0.712 454 K HN 0.246 nan 8.250 nan 0.000 0.441 455 A N 0.607 123.422 122.820 -0.008 0.000 1.908 455 A HA -0.121 4.203 4.320 0.007 0.000 0.218 455 A C 2.395 179.975 177.584 -0.007 0.000 1.181 455 A CA 1.968 54.002 52.037 -0.006 0.000 0.627 455 A CB -0.885 18.113 19.000 -0.004 0.000 0.818 455 A HN 0.183 nan 8.150 nan 0.000 0.445 456 V N -0.035 119.879 119.914 -0.001 0.000 2.295 456 V HA -0.252 3.873 4.120 0.007 0.000 0.246 456 V C 2.577 178.683 176.094 0.019 0.000 1.049 456 V CA 1.976 64.278 62.300 0.003 0.000 1.024 456 V CB -0.710 31.114 31.823 0.002 0.000 0.648 456 V HN 0.580 nan 8.190 nan 0.000 0.447 457 L N -0.553 120.673 121.223 0.004 0.000 2.046 457 L HA -0.149 4.195 4.340 0.007 0.000 0.208 457 L C 2.748 179.615 176.870 -0.004 0.000 1.077 457 L CA 1.444 56.258 54.840 -0.043 0.000 0.747 457 L CB -0.645 41.275 42.059 -0.231 0.000 0.896 457 L HN 0.331 nan 8.230 nan 0.000 0.432 458 E N -0.071 120.125 120.200 -0.007 0.000 2.110 458 E HA -0.256 4.099 4.350 0.007 0.000 0.193 458 E C 1.677 178.301 176.600 0.040 0.000 0.988 458 E CA 1.452 57.868 56.400 0.027 0.000 0.804 458 E CB -0.155 29.553 29.700 0.013 0.000 0.745 458 E HN 0.458 nan 8.360 nan 0.000 0.458 459 D N 0.608 121.020 120.400 0.019 0.000 2.097 459 D HA -0.117 4.528 4.640 0.007 0.000 0.195 459 D C 2.012 178.322 176.300 0.016 0.000 0.989 459 D CA 0.926 54.932 54.000 0.010 0.000 0.827 459 D CB -0.150 40.647 40.800 -0.007 0.000 0.966 459 D HN 0.099 nan 8.370 nan 0.000 0.456 460 I N 0.481 121.066 120.570 0.025 0.000 2.226 460 I HA -0.213 3.961 4.170 0.007 0.000 0.245 460 I C 2.515 178.648 176.117 0.028 0.000 1.100 460 I CA 1.071 62.384 61.300 0.022 0.000 1.374 460 I CB -0.332 37.693 38.000 0.043 0.000 1.057 460 I HN 0.042 nan 8.210 nan 0.000 0.413 461 A N 0.736 123.623 122.820 0.111 0.000 1.908 461 A HA -0.256 4.069 4.320 0.007 0.000 0.218 461 A C 2.505 180.230 177.584 0.236 0.000 1.181 461 A CA 2.361 54.561 52.037 0.271 0.000 0.627 461 A CB -0.968 18.234 19.000 0.336 0.000 0.818 461 A HN 0.533 nan 8.150 nan 0.000 0.445 462 S N -0.107 115.671 115.700 0.130 0.000 2.423 462 S HA -0.168 4.307 4.470 0.007 0.000 0.231 462 S C 1.827 176.452 174.600 0.042 0.000 1.014 462 S CA 1.233 59.489 58.200 0.094 0.000 0.965 462 S CB -0.561 62.668 63.200 0.047 0.000 0.785 462 S HN 0.666 nan 8.310 nan 0.000 0.495 463 N N 1.369 120.067 118.700 -0.004 0.000 2.220 463 N HA -0.027 4.717 4.740 0.007 0.000 0.182 463 N C 1.722 177.188 175.510 -0.073 0.000 1.023 463 N CA 1.496 54.526 53.050 -0.034 0.000 0.856 463 N CB -0.267 38.191 38.487 -0.049 0.000 0.997 463 N HN 0.354 nan 8.380 nan 0.000 0.429 464 V N 0.695 120.485 119.914 -0.207 0.000 2.427 464 V HA -0.139 3.985 4.120 0.007 0.000 0.248 464 V C 1.025 176.817 176.094 -0.502 0.000 1.051 464 V CA 1.286 63.324 62.300 -0.437 0.000 1.048 464 V CB -0.605 30.771 31.823 -0.745 0.000 0.666 464 V HN 0.191 nan 8.190 nan 0.000 0.456 465 F N -0.176 119.833 119.950 0.098 0.000 2.660 465 F HA 0.253 4.784 4.527 0.007 0.000 0.297 465 F C 1.141 176.982 175.800 0.070 0.000 1.132 465 F CA -0.546 57.502 58.000 0.080 0.000 1.372 465 F CB -1.275 37.762 39.000 0.062 0.000 1.003 465 F HN -0.085 nan 8.300 nan 0.000 0.524 466 T N -0.078 114.569 114.554 0.155 0.000 2.908 466 T HA -0.042 4.312 4.350 0.007 0.000 0.301 466 T C 1.453 176.255 174.700 0.172 0.000 1.019 466 T CA 0.292 62.480 62.100 0.146 0.000 1.152 466 T CB 1.047 70.003 68.868 0.145 0.000 0.966 466 T HN 0.219 nan 8.240 nan 0.000 0.540 467 S N 1.361 117.153 115.700 0.153 0.000 2.489 467 S HA -0.021 4.454 4.470 0.007 0.000 0.228 467 S C 0.806 175.515 174.600 0.181 0.000 0.995 467 S CA 0.270 58.554 58.200 0.140 0.000 0.934 467 S CB 0.067 63.331 63.200 0.106 0.000 0.771 467 S HN 0.712 nan 8.310 nan 0.000 0.522 468 D N 1.333 121.884 120.400 0.252 0.000 2.359 468 D HA 0.227 4.871 4.640 0.007 0.000 0.230 468 D C -2.090 174.409 176.300 0.333 0.000 1.118 468 D CA -2.238 51.955 54.000 0.321 0.000 0.844 468 D CB 1.622 42.714 40.800 0.486 0.000 1.059 468 D HN -0.035 nan 8.370 nan 0.000 0.493 469 P HA -0.115 nan 4.420 nan 0.000 0.219 469 P C 1.234 178.661 177.300 0.212 0.000 1.146 469 P CA 0.540 63.796 63.100 0.259 0.000 0.808 469 P CB 0.008 31.863 31.700 0.258 0.000 0.779 470 F N -1.341 118.611 119.950 0.003 0.000 2.365 470 F HA -0.130 4.401 4.527 0.007 0.000 0.300 470 F C 1.432 177.121 175.800 -0.184 0.000 1.090 470 F CA 1.327 59.235 58.000 -0.155 0.000 1.408 470 F CB -0.259 38.532 39.000 -0.349 0.000 1.060 470 F HN -0.104 nan 8.300 nan 0.000 0.534 471 Y N -0.719 119.689 120.300 0.180 0.000 2.478 471 Y HA 0.167 4.721 4.550 0.007 0.000 0.261 471 Y C 1.018 176.941 175.900 0.038 0.000 1.127 471 Y CA -0.375 57.780 58.100 0.092 0.000 1.288 471 Y CB -0.655 37.879 38.460 0.124 0.000 1.084 471 Y HN -0.192 nan 8.280 nan 0.000 0.530 472 Q N 1.667 121.590 119.800 0.205 0.000 2.315 472 Q HA -0.049 4.296 4.340 0.007 0.000 0.289 472 Q C 0.487 176.576 176.000 0.150 0.000 1.044 472 Q CA 0.791 56.698 55.803 0.174 0.000 0.920 472 Q CB 0.807 29.676 28.738 0.218 0.000 1.214 472 Q HN 0.568 nan 8.270 nan 0.000 0.392 473 Q N 0.722 120.588 119.800 0.111 0.000 2.281 473 Q HA 0.166 4.510 4.340 0.007 0.000 0.215 473 Q C 0.678 176.922 176.000 0.406 0.000 0.867 473 Q CA 0.450 56.346 55.803 0.154 0.000 0.940 473 Q CB 0.843 29.516 28.738 -0.108 0.000 1.111 473 Q HN 1.029 nan 8.270 nan 0.000 0.513 474 G N 1.112 110.084 108.800 0.287 0.000 2.147 474 G HA2 -0.225 3.740 3.960 0.007 0.000 0.244 474 G HA3 -0.225 3.740 3.960 0.007 0.000 0.244 474 G C 0.239 175.199 174.900 0.099 0.000 1.005 474 G CA 0.005 45.247 45.100 0.236 0.000 0.713 474 G HN 0.495 nan 8.290 nan 0.000 0.515 475 G N -1.420 107.439 108.800 0.097 0.000 2.601 475 G HA2 0.663 4.628 3.960 0.007 0.000 0.317 475 G HA3 0.663 4.628 3.960 0.007 0.000 0.317 475 G C -0.759 174.140 174.900 -0.002 0.000 1.246 475 G CA -0.178 44.953 45.100 0.051 0.000 1.012 475 G HN 0.146 nan 8.290 nan 0.000 0.494 476 D N -1.589 118.813 120.400 0.003 0.000 2.621 476 D HA 0.467 5.111 4.640 0.007 0.000 0.255 476 D C -0.318 175.995 176.300 0.022 0.000 1.122 476 D CA -0.306 53.697 54.000 0.004 0.000 1.096 476 D CB 1.962 42.778 40.800 0.027 0.000 1.282 476 D HN 0.110 nan 8.370 nan 0.000 0.619 477 V N 0.989 120.944 119.914 0.068 0.000 2.432 477 V HA 0.162 4.286 4.120 0.007 0.000 0.275 477 V C 0.778 176.943 176.094 0.117 0.000 1.043 477 V CA -0.579 61.787 62.300 0.110 0.000 0.925 477 V CB 1.117 33.064 31.823 0.207 0.000 0.985 477 V HN 0.551 nan 8.190 nan 0.000 0.466 478 S N 5.308 121.073 115.700 0.109 0.000 2.561 478 S HA 0.103 4.578 4.470 0.007 0.000 0.294 478 S C 0.213 174.875 174.600 0.103 0.000 1.294 478 S CA -0.220 58.046 58.200 0.110 0.000 1.055 478 S CB 0.062 63.364 63.200 0.171 0.000 0.819 478 S HN 0.653 nan 8.310 nan 0.000 0.503 479 R N 3.106 123.643 120.500 0.061 0.000 2.221 479 R HA 0.455 4.799 4.340 0.007 0.000 0.327 479 R C -0.921 175.361 176.300 -0.032 0.000 1.033 479 R CA -0.405 55.722 56.100 0.045 0.000 0.887 479 R CB 1.208 31.514 30.300 0.009 0.000 1.057 479 R HN 0.424 nan 8.270 nan 0.000 0.455 480 V N 4.925 124.788 119.914 -0.086 0.000 2.277 480 V HA 0.247 4.371 4.120 0.007 0.000 0.269 480 V C -0.514 175.488 176.094 -0.153 0.000 1.036 480 V CA -0.760 61.346 62.300 -0.323 0.000 0.821 480 V CB 0.099 31.549 31.823 -0.623 0.000 1.052 480 V HN 0.558 nan 8.190 nan 0.000 0.462 481 F N 4.067 123.880 119.950 -0.227 0.000 2.467 481 F HA 0.619 5.150 4.527 0.007 0.000 0.362 481 F C 1.193 176.888 175.800 -0.175 0.000 1.090 481 F CA 1.003 58.908 58.000 -0.159 0.000 1.202 481 F CB 0.977 39.889 39.000 -0.146 0.000 1.113 481 F HN 0.698 nan 8.300 nan 0.000 0.541 482 G N 4.364 112.666 108.800 -0.830 0.000 2.229 482 G HA2 -0.103 3.861 3.960 0.007 0.000 0.189 482 G HA3 -0.103 3.861 3.960 0.007 0.000 0.189 482 G C -0.875 173.796 174.900 -0.382 0.000 1.000 482 G CA -0.053 44.684 45.100 -0.604 0.000 0.663 482 G HN 1.134 nan 8.290 nan 0.000 0.493 483 L N -1.612 119.418 121.223 -0.320 0.000 2.327 483 L HA 1.066 5.410 4.340 0.007 0.000 0.258 483 L C -0.434 176.370 176.870 -0.111 0.000 1.024 483 L CA -1.825 52.889 54.840 -0.210 0.000 0.825 483 L CB 1.250 43.172 42.059 -0.227 0.000 1.386 483 L HN 0.152 nan 8.230 nan 0.000 0.417 484 R N 0.736 121.208 120.500 -0.045 0.000 2.771 484 R HA 0.776 5.120 4.340 0.007 0.000 0.274 484 R C -1.748 174.623 176.300 0.119 0.000 0.987 484 R CA -0.707 55.385 56.100 -0.013 0.000 0.908 484 R CB 2.310 32.556 30.300 -0.090 0.000 1.213 484 R HN 0.924 nan 8.270 nan 0.000 0.468 485 Y N -2.809 117.420 120.300 -0.118 0.000 2.750 485 Y HA 0.609 5.163 4.550 0.007 0.000 0.335 485 Y C -1.774 174.071 175.900 -0.092 0.000 1.252 485 Y CA -1.278 56.765 58.100 -0.094 0.000 1.064 485 Y CB 0.967 39.379 38.460 -0.080 0.000 1.321 485 Y HN 0.199 nan 8.280 nan 0.000 0.451 486 V N 2.608 122.531 119.914 0.017 0.000 2.459 486 V HA 0.598 4.722 4.120 0.007 0.000 0.295 486 V C -0.981 175.124 176.094 0.019 0.000 1.029 486 V CA -0.611 61.640 62.300 -0.081 0.000 0.874 486 V CB 1.403 33.203 31.823 -0.038 0.000 0.985 486 V HN 0.747 nan 8.190 nan 0.000 0.438 487 L N 3.557 124.730 121.223 -0.082 0.000 2.362 487 L HA 0.743 5.087 4.340 0.007 0.000 0.275 487 L C -0.944 175.873 176.870 -0.089 0.000 0.998 487 L CA 0.063 54.896 54.840 -0.012 0.000 0.820 487 L CB 1.931 43.986 42.059 -0.007 0.000 1.270 487 L HN 0.666 nan 8.230 nan 0.000 0.415 488 D N 6.293 126.643 120.400 -0.084 0.000 2.438 488 D HA 0.406 5.050 4.640 0.007 0.000 0.257 488 D C -1.973 174.216 176.300 -0.186 0.000 1.148 488 D CA -2.086 51.843 54.000 -0.117 0.000 0.902 488 D CB 1.821 42.583 40.800 -0.063 0.000 1.062 488 D HN 0.315 nan 8.370 nan 0.000 0.518 489 P HA -0.097 nan 4.420 nan 0.000 0.218 489 P C 0.344 177.519 177.300 -0.208 0.000 1.146 489 P CA 0.967 63.731 63.100 -0.560 0.000 0.813 489 P CB 0.549 31.811 31.700 -0.730 0.000 0.778 490 D N -1.057 119.267 120.400 -0.126 0.000 2.349 490 D HA 0.162 4.807 4.640 0.007 0.000 0.214 490 D C 1.051 177.336 176.300 -0.025 0.000 1.063 490 D CA 0.055 54.025 54.000 -0.050 0.000 0.847 490 D CB 0.182 40.956 40.800 -0.044 0.000 0.933 490 D HN 0.107 nan 8.370 nan 0.000 0.513 491 A N 1.964 124.765 122.820 -0.032 0.000 2.346 491 A HA 0.394 4.718 4.320 0.007 0.000 0.252 491 A C -2.230 175.359 177.584 0.008 0.000 1.089 491 A CA -0.783 51.248 52.037 -0.011 0.000 0.797 491 A CB -0.107 18.886 19.000 -0.012 0.000 1.047 491 A HN -0.106 nan 8.150 nan 0.000 0.494 492 P HA 0.226 nan 4.420 nan 0.000 0.274 492 P C -0.197 177.118 177.300 0.024 0.000 1.237 492 P CA -0.125 62.985 63.100 0.018 0.000 0.793 492 P CB 0.266 31.973 31.700 0.012 0.000 0.977 493 T N 1.549 116.119 114.554 0.027 0.000 2.908 493 T HA 0.299 4.654 4.350 0.007 0.000 0.301 493 T C 1.399 176.111 174.700 0.020 0.000 1.019 493 T CA 1.687 63.804 62.100 0.029 0.000 1.152 493 T CB -0.534 68.346 68.868 0.020 0.000 0.966 493 T HN 0.822 nan 8.240 nan 0.000 0.540 494 G N 3.295 112.108 108.800 0.022 0.000 2.213 494 G HA2 -0.222 3.742 3.960 0.007 0.000 0.236 494 G HA3 -0.222 3.742 3.960 0.007 0.000 0.236 494 G C 0.467 175.376 174.900 0.015 0.000 0.991 494 G CA 0.293 45.402 45.100 0.015 0.000 0.629 494 G HN 0.698 nan 8.290 nan 0.000 0.517 495 E N -0.684 119.527 120.200 0.018 0.000 2.630 495 E HA 0.254 4.608 4.350 0.007 0.000 0.218 495 E C 2.147 178.758 176.600 0.019 0.000 0.977 495 E CA -0.487 55.922 56.400 0.015 0.000 1.038 495 E CB 0.375 30.080 29.700 0.009 0.000 1.051 495 E HN 0.391 nan 8.360 nan 0.000 0.487 496 R N 0.315 120.834 120.500 0.031 0.000 2.153 496 R HA 0.055 4.400 4.340 0.007 0.000 0.218 496 R C 0.387 176.722 176.300 0.058 0.000 1.072 496 R CA 0.653 56.774 56.100 0.035 0.000 0.990 496 R CB 0.458 30.797 30.300 0.066 0.000 0.889 496 R HN -0.082 nan 8.270 nan 0.000 0.452 497 V N 3.251 123.203 119.914 0.062 0.000 2.384 497 V HA 0.319 4.443 4.120 0.007 0.000 0.287 497 V C -0.022 176.107 176.094 0.057 0.000 1.020 497 V CA -0.731 61.621 62.300 0.086 0.000 0.850 497 V CB 1.294 33.116 31.823 -0.002 0.000 0.987 497 V HN 0.283 nan 8.190 nan 0.000 0.436 498 R N 2.636 123.188 120.500 0.086 0.000 2.831 498 R HA 0.591 4.935 4.340 0.007 0.000 0.266 498 R C -0.732 175.602 176.300 0.057 0.000 1.051 498 R CA -0.748 55.381 56.100 0.048 0.000 0.943 498 R CB 1.315 31.631 30.300 0.026 0.000 1.228 498 R HN 0.465 nan 8.270 nan 0.000 0.467 499 E N -0.138 120.079 120.200 0.028 0.000 2.360 499 E HA -0.132 4.223 4.350 0.007 0.000 0.238 499 E C -0.418 176.200 176.600 0.029 0.000 1.186 499 E CA 0.827 57.238 56.400 0.018 0.000 0.719 499 E CB -1.628 28.076 29.700 0.006 0.000 1.236 499 E HN 0.427 nan 8.360 nan 0.000 0.386 500 V N 0.751 120.679 119.914 0.023 0.000 2.572 500 V HA 0.071 4.195 4.120 0.007 0.000 0.291 500 V C 0.843 176.923 176.094 -0.022 0.000 1.039 500 V CA 0.777 63.081 62.300 0.006 0.000 1.055 500 V CB 0.962 32.755 31.823 -0.050 0.000 0.969 500 V HN 0.149 nan 8.190 nan 0.000 0.482 501 E N 2.949 123.127 120.200 -0.036 0.000 2.256 501 E HA 0.580 4.935 4.350 0.007 0.000 0.268 501 E C -1.619 174.921 176.600 -0.099 0.000 0.877 501 E CA -0.626 55.742 56.400 -0.053 0.000 0.757 501 E CB 2.635 32.310 29.700 -0.042 0.000 1.183 501 E HN 0.438 nan 8.360 nan 0.000 0.418 502 V N 1.834 121.687 119.914 -0.102 0.000 2.409 502 V HA 0.456 4.580 4.120 0.007 0.000 0.291 502 V C 0.779 176.842 176.094 -0.051 0.000 1.020 502 V CA -0.070 62.148 62.300 -0.138 0.000 0.848 502 V CB 1.297 32.947 31.823 -0.287 0.000 0.990 502 V HN 1.005 nan 8.190 nan 0.000 0.430 503 G N 3.730 112.475 108.800 -0.092 0.000 2.273 503 G HA2 0.056 4.020 3.960 0.007 0.000 0.280 503 G HA3 0.056 4.020 3.960 0.007 0.000 0.280 503 G C 1.117 175.990 174.900 -0.045 0.000 1.047 503 G CA 0.585 45.644 45.100 -0.067 0.000 0.869 503 G HN 2.335 nan 8.290 nan 0.000 0.502 504 G N -1.855 106.910 108.800 -0.059 0.000 2.148 504 G HA2 -0.244 3.720 3.960 0.007 0.000 0.254 504 G HA3 -0.244 3.720 3.960 0.007 0.000 0.254 504 G C 0.313 175.199 174.900 -0.022 0.000 0.981 504 G CA 1.149 46.223 45.100 -0.043 0.000 0.670 504 G HN 1.188 nan 8.290 nan 0.000 0.528 505 R N -0.220 120.275 120.500 -0.008 0.000 2.744 505 R HA 0.505 4.849 4.340 0.007 0.000 0.279 505 R C -2.869 173.441 176.300 0.017 0.000 0.977 505 R CA -2.251 53.855 56.100 0.010 0.000 0.906 505 R CB 1.769 32.086 30.300 0.027 0.000 1.197 505 R HN -0.018 nan 8.270 nan 0.000 0.463 506 P HA -0.097 nan 4.420 nan 0.000 0.265 506 P C -0.601 176.727 177.300 0.046 0.000 1.187 506 P CA -0.245 62.866 63.100 0.019 0.000 0.766 506 P CB 0.405 32.116 31.700 0.019 0.000 0.820 507 L N 3.299 124.538 121.223 0.027 0.000 2.490 507 L HA 0.130 4.474 4.340 0.007 0.000 0.274 507 L C 0.132 177.069 176.870 0.111 0.000 1.201 507 L CA 0.617 55.485 54.840 0.047 0.000 0.869 507 L CB -0.270 41.770 42.059 -0.031 0.000 1.123 507 L HN 0.243 nan 8.230 nan 0.000 0.484 508 D N 6.415 126.953 120.400 0.230 0.000 2.441 508 D HA 0.372 5.016 4.640 0.007 0.000 0.231 508 D C -1.987 174.426 176.300 0.189 0.000 1.073 508 D CA -2.292 51.806 54.000 0.164 0.000 0.850 508 D CB 1.725 42.595 40.800 0.116 0.000 1.062 508 D HN 0.326 nan 8.370 nan 0.000 0.524 509 P HA -0.088 nan 4.420 nan 0.000 0.220 509 P C 0.151 177.507 177.300 0.092 0.000 1.144 509 P CA 1.170 64.329 63.100 0.098 0.000 0.800 509 P CB 0.236 31.970 31.700 0.055 0.000 0.772 510 N N -1.974 116.765 118.700 0.066 0.000 2.254 510 N HA 0.041 4.786 4.740 0.007 0.000 0.190 510 N C 0.799 176.312 175.510 0.005 0.000 1.107 510 N CA -0.354 52.716 53.050 0.033 0.000 0.869 510 N CB 0.161 38.655 38.487 0.011 0.000 0.983 510 N HN -0.001 nan 8.380 nan 0.000 0.487 511 R N 1.667 122.161 120.500 -0.009 0.000 2.490 511 R HA 0.242 4.586 4.340 0.007 0.000 0.280 511 R C -0.523 175.678 176.300 -0.165 0.000 1.077 511 R CA -0.271 55.728 56.100 -0.168 0.000 1.065 511 R CB 0.598 30.673 30.300 -0.374 0.000 1.003 511 R HN 0.023 nan 8.270 nan 0.000 0.470 512 R N 3.229 123.619 120.500 -0.183 0.000 2.207 512 R HA 0.179 4.524 4.340 0.007 0.000 0.334 512 R C -1.170 175.110 176.300 -0.034 0.000 1.013 512 R CA -0.213 55.874 56.100 -0.021 0.000 0.858 512 R CB 0.824 31.091 30.300 -0.055 0.000 1.094 512 R HN 0.496 nan 8.270 nan 0.000 0.457 513 Y N 2.291 122.696 120.300 0.174 0.000 2.342 513 Y HA 0.245 4.800 4.550 0.007 0.000 0.334 513 Y C 0.074 176.030 175.900 0.094 0.000 1.067 513 Y CA -1.081 57.095 58.100 0.127 0.000 1.128 513 Y CB 1.272 39.767 38.460 0.058 0.000 1.200 513 Y HN 0.374 nan 8.280 nan 0.000 0.464 514 L N 3.641 124.922 121.223 0.097 0.000 2.313 514 L HA 0.671 5.016 4.340 0.007 0.000 0.282 514 L C -0.191 176.521 176.870 -0.263 0.000 1.092 514 L CA 0.059 54.699 54.840 -0.334 0.000 0.831 514 L CB -0.262 41.535 42.059 -0.436 0.000 1.159 514 L HN 0.713 nan 8.230 nan 0.000 0.442 515 A N 4.421 126.971 122.820 -0.450 0.000 2.322 515 A HA 0.984 5.308 4.320 0.007 0.000 0.327 515 A C -0.888 176.271 177.584 -0.708 0.000 1.134 515 A CA -0.154 51.611 52.037 -0.453 0.000 0.831 515 A CB 1.399 20.168 19.000 -0.386 0.000 1.288 515 A HN 1.085 nan 8.150 nan 0.000 0.472 516 A N -0.458 122.125 122.820 -0.395 0.000 2.414 516 A HA 0.911 5.235 4.320 0.007 0.000 0.306 516 A C -0.454 177.148 177.584 0.030 0.000 1.054 516 A CA 0.041 51.907 52.037 -0.284 0.000 0.724 516 A CB 1.416 20.299 19.000 -0.194 0.000 1.267 516 A HN 2.551 nan 8.150 nan 0.000 0.418 517 A N 0.913 123.859 122.820 0.210 0.000 2.566 517 A HA 0.781 5.106 4.320 0.007 0.000 0.297 517 A C -1.207 176.618 177.584 0.402 0.000 1.059 517 A CA -0.395 51.843 52.037 0.335 0.000 0.691 517 A CB 0.787 20.009 19.000 0.371 0.000 1.282 517 A HN 2.104 nan 8.150 nan 0.000 0.401 518 Y N -0.998 119.393 120.300 0.152 0.000 2.581 518 Y HA 0.682 5.237 4.550 0.007 0.000 0.345 518 Y C 0.823 176.674 175.900 -0.080 0.000 1.036 518 Y CA -0.633 57.511 58.100 0.074 0.000 1.042 518 Y CB 1.423 39.882 38.460 -0.003 0.000 1.289 518 Y HN 2.206 nan 8.280 nan 0.000 0.471 519 G N -0.146 108.501 108.800 -0.256 0.000 2.153 519 G HA2 0.080 4.044 3.960 0.007 0.000 0.252 519 G HA3 0.080 4.044 3.960 0.007 0.000 0.252 519 G C 0.099 175.001 174.900 0.002 0.000 0.994 519 G CA 0.482 45.182 45.100 -0.666 0.000 0.698 519 G HN 1.709 nan 8.290 nan 0.000 0.521 520 G N -1.820 107.036 108.800 0.094 0.000 3.085 520 G HA2 0.663 4.627 3.960 0.007 0.000 0.264 520 G HA3 0.663 4.627 3.960 0.007 0.000 0.264 520 G C 0.232 175.143 174.900 0.019 0.000 1.206 520 G CA -0.055 45.102 45.100 0.095 0.000 0.809 520 G HN 0.296 nan 8.290 nan 0.000 0.592 521 R N -0.875 119.580 120.500 -0.076 0.000 2.531 521 R HA 0.215 4.559 4.340 0.007 0.000 0.316 521 R C 1.861 177.996 176.300 -0.275 0.000 0.955 521 R CA -0.348 55.647 56.100 -0.175 0.000 1.120 521 R CB 0.275 30.494 30.300 -0.137 0.000 1.361 521 R HN 0.292 nan 8.270 nan 0.000 0.534 522 L N 2.541 123.603 121.223 -0.268 0.000 2.081 522 L HA -0.259 4.086 4.340 0.007 0.000 0.212 522 L C 2.414 178.870 176.870 -0.689 0.000 1.080 522 L CA 1.924 56.546 54.840 -0.364 0.000 0.754 522 L CB -0.328 41.545 42.059 -0.310 0.000 0.893 522 L HN 0.236 nan 8.230 nan 0.000 0.433 523 Q N -0.411 118.809 119.800 -0.967 0.000 2.226 523 Q HA -0.244 4.100 4.340 0.007 0.000 0.204 523 Q C 2.037 177.537 176.000 -0.834 0.000 0.975 523 Q CA 1.545 56.442 55.803 -1.511 0.000 0.866 523 Q CB -0.732 27.300 28.738 -1.176 0.000 0.915 523 Q HN 0.544 nan 8.270 nan 0.000 0.440 524 R N 0.979 121.150 120.500 -0.548 0.000 2.127 524 R HA -0.079 4.266 4.340 0.007 0.000 0.238 524 R C 2.218 178.355 176.300 -0.273 0.000 1.134 524 R CA 1.630 57.523 56.100 -0.346 0.000 0.975 524 R CB -0.342 29.802 30.300 -0.260 0.000 0.865 524 R HN 0.368 nan 8.270 nan 0.000 0.447 525 V N -2.836 116.903 119.914 -0.291 0.000 3.596 525 V HA 0.358 4.482 4.120 0.007 0.000 0.289 525 V C 0.574 176.585 176.094 -0.139 0.000 1.336 525 V CA 0.034 62.227 62.300 -0.179 0.000 1.137 525 V CB 0.262 32.004 31.823 -0.135 0.000 0.966 525 V HN 0.153 nan 8.190 nan 0.000 0.428 526 G N -0.211 108.450 108.800 -0.232 0.000 2.552 526 G HA2 0.613 4.577 3.960 0.007 0.000 0.324 526 G HA3 0.613 4.577 3.960 0.007 0.000 0.324 526 G C -1.066 173.867 174.900 0.055 0.000 1.217 526 G CA -0.745 44.340 45.100 -0.024 0.000 0.989 526 G HN 0.371 nan 8.290 nan 0.000 0.490 527 E N 0.254 120.585 120.200 0.219 0.000 2.035 527 E HA 0.480 4.834 4.350 0.007 0.000 0.271 527 E C 0.479 177.264 176.600 0.308 0.000 0.953 527 E CA -0.376 56.154 56.400 0.217 0.000 0.777 527 E CB 1.199 31.029 29.700 0.217 0.000 1.104 527 E HN 0.676 nan 8.360 nan 0.000 0.408 528 A N 4.330 127.287 122.820 0.228 0.000 2.587 528 A HA -0.097 4.227 4.320 0.007 0.000 0.235 528 A C 0.385 178.125 177.584 0.260 0.000 1.044 528 A CA 0.372 52.563 52.037 0.256 0.000 0.754 528 A CB 0.201 19.323 19.000 0.203 0.000 0.968 528 A HN 0.561 nan 8.150 nan 0.000 0.509 529 K N 3.739 124.263 120.400 0.207 0.000 2.378 529 K HA 0.157 4.482 4.320 0.007 0.000 0.288 529 K C -2.180 174.549 176.600 0.215 0.000 1.057 529 K CA -1.392 55.004 56.287 0.180 0.000 0.971 529 K CB 0.333 32.831 32.500 -0.005 0.000 0.975 529 K HN 0.520 nan 8.250 nan 0.000 0.475 530 P HA 0.006 nan 4.420 nan 0.000 0.268 530 P C 0.512 177.906 177.300 0.156 0.000 1.205 530 P CA 0.475 63.670 63.100 0.159 0.000 0.771 530 P CB 0.807 32.585 31.700 0.129 0.000 0.858 531 G N 1.390 110.270 108.800 0.132 0.000 2.225 531 G HA2 -0.286 3.679 3.960 0.007 0.000 0.254 531 G HA3 -0.286 3.679 3.960 0.007 0.000 0.254 531 G C -0.272 174.715 174.900 0.146 0.000 0.988 531 G CA 0.160 45.332 45.100 0.120 0.000 0.625 531 G HN 0.663 nan 8.290 nan 0.000 0.527 532 Y N 1.904 122.235 120.300 0.051 0.000 2.320 532 Y HA 0.623 5.177 4.550 0.007 0.000 0.334 532 Y C 0.114 176.028 175.900 0.024 0.000 1.055 532 Y CA -0.827 57.290 58.100 0.028 0.000 1.143 532 Y CB 1.121 39.570 38.460 -0.019 0.000 1.193 532 Y HN 0.231 nan 8.280 nan 0.000 0.477 533 E N 8.563 128.279 120.200 -0.807 0.000 2.113 533 E HA 0.385 4.739 4.350 0.007 0.000 0.273 533 E C -2.697 173.291 176.600 -1.019 0.000 0.924 533 E CA -2.592 53.428 56.400 -0.633 0.000 0.764 533 E CB 0.953 30.465 29.700 -0.314 0.000 1.104 533 E HN 0.447 nan 8.360 nan 0.000 0.406 534 P HA -0.025 nan 4.420 nan 0.000 0.264 534 P C -1.132 175.974 177.300 -0.325 0.000 1.183 534 P CA 0.405 63.234 63.100 -0.453 0.000 0.763 534 P CB 0.334 31.741 31.700 -0.488 0.000 0.807 535 R N 2.452 122.832 120.500 -0.200 0.000 2.774 535 R HA 0.660 5.004 4.340 0.007 0.000 0.272 535 R C -3.159 173.074 176.300 -0.111 0.000 1.000 535 R CA -2.726 53.307 56.100 -0.113 0.000 0.906 535 R CB 0.528 30.799 30.300 -0.048 0.000 1.227 535 R HN 0.077 nan 8.270 nan 0.000 0.468 536 P HA -0.039 nan 4.420 nan 0.000 0.261 536 P C 0.563 177.654 177.300 -0.349 0.000 1.183 536 P CA -0.078 62.805 63.100 -0.360 0.000 0.761 536 P CB 0.339 31.680 31.700 -0.600 0.000 0.785 537 I N 5.169 125.529 120.570 -0.350 0.000 2.236 537 I HA -0.322 3.852 4.170 0.007 0.000 0.249 537 I C 1.675 177.693 176.117 -0.165 0.000 1.102 537 I CA 1.815 62.922 61.300 -0.321 0.000 1.365 537 I CB -0.740 36.844 38.000 -0.693 0.000 1.051 537 I HN 0.390 nan 8.210 nan 0.000 0.420 538 Y N -0.264 120.097 120.300 0.102 0.000 2.333 538 Y HA -0.047 4.508 4.550 0.008 0.000 0.290 538 Y C 2.128 178.081 175.900 0.088 0.000 1.144 538 Y CA 1.003 59.170 58.100 0.111 0.000 1.228 538 Y CB -1.481 37.152 38.460 0.288 0.000 0.985 538 Y HN 0.164 nan 8.280 nan 0.000 0.542 539 E N 0.848 121.236 120.200 0.315 0.000 2.107 539 E HA -0.090 4.264 4.350 0.007 0.000 0.191 539 E C 2.445 179.139 176.600 0.157 0.000 0.982 539 E CA 1.222 57.825 56.400 0.338 0.000 0.809 539 E CB -0.400 29.468 29.700 0.279 0.000 0.756 539 E HN 0.485 nan 8.360 nan 0.000 0.459 540 V N 1.705 121.672 119.914 0.088 0.000 2.343 540 V HA -0.225 3.900 4.120 0.007 0.000 0.247 540 V C 2.510 178.618 176.094 0.023 0.000 1.051 540 V CA 1.298 63.636 62.300 0.065 0.000 1.036 540 V CB -0.504 31.365 31.823 0.078 0.000 0.654 540 V HN 0.183 nan 8.190 nan 0.000 0.451 541 L N 0.022 121.232 121.223 -0.021 0.000 2.027 541 L HA -0.109 4.235 4.340 0.007 0.000 0.206 541 L C 2.755 179.594 176.870 -0.052 0.000 1.074 541 L CA 1.541 56.356 54.840 -0.041 0.000 0.745 541 L CB -0.829 41.198 42.059 -0.053 0.000 0.898 541 L HN 0.348 nan 8.230 nan 0.000 0.433 542 A N -0.211 122.505 122.820 -0.173 0.000 1.902 542 A HA -0.232 4.092 4.320 0.007 0.000 0.217 542 A C 2.177 179.725 177.584 -0.060 0.000 1.181 542 A CA 1.676 53.550 52.037 -0.271 0.000 0.623 542 A CB -0.447 18.277 19.000 -0.460 0.000 0.818 542 A HN 0.417 nan 8.150 nan 0.000 0.443 543 E N -1.676 118.540 120.200 0.028 0.000 2.051 543 E HA -0.222 4.133 4.350 0.007 0.000 0.192 543 E C 1.874 178.495 176.600 0.034 0.000 0.991 543 E CA 1.584 58.014 56.400 0.049 0.000 0.799 543 E CB -0.309 29.429 29.700 0.064 0.000 0.748 543 E HN 0.774 nan 8.360 nan 0.000 0.449 544 Y N 1.187 121.440 120.300 -0.079 0.000 2.114 544 Y HA -0.216 4.339 4.550 0.007 0.000 0.284 544 Y C 1.903 177.752 175.900 -0.085 0.000 1.143 544 Y CA 1.510 59.555 58.100 -0.092 0.000 1.135 544 Y CB -0.346 38.042 38.460 -0.119 0.000 0.980 544 Y HN -0.039 nan 8.280 nan 0.000 0.499 545 L N 0.038 121.166 121.223 -0.158 0.000 2.012 545 L HA -0.268 4.077 4.340 0.007 0.000 0.210 545 L C 2.660 179.406 176.870 -0.207 0.000 1.073 545 L CA 1.810 56.511 54.840 -0.231 0.000 0.748 545 L CB -0.602 41.399 42.059 -0.096 0.000 0.891 545 L HN 0.168 nan 8.230 nan 0.000 0.431 546 R N -0.706 119.716 120.500 -0.131 0.000 2.105 546 R HA -0.186 4.158 4.340 0.007 0.000 0.239 546 R C 2.586 178.822 176.300 -0.105 0.000 1.135 546 R CA 1.664 57.714 56.100 -0.084 0.000 0.967 546 R CB -0.579 29.705 30.300 -0.026 0.000 0.861 546 R HN 0.316 nan 8.270 nan 0.000 0.442 547 S N 0.575 116.188 115.700 -0.145 0.000 2.345 547 S HA -0.100 4.374 4.470 0.007 0.000 0.220 547 S C 2.135 176.622 174.600 -0.188 0.000 1.031 547 S CA 1.475 59.587 58.200 -0.146 0.000 0.996 547 S CB -0.180 62.939 63.200 -0.136 0.000 0.882 547 S HN 0.293 nan 8.310 nan 0.000 0.445 548 V N -1.142 118.579 119.914 -0.322 0.000 2.719 548 V HA 0.347 4.471 4.120 0.007 0.000 0.252 548 V C 2.090 178.071 176.094 -0.189 0.000 1.065 548 V CA 1.421 63.543 62.300 -0.297 0.000 1.086 548 V CB -1.506 30.024 31.823 -0.487 0.000 0.700 548 V HN 0.749 nan 8.190 nan 0.000 0.467 549 G N 0.948 109.646 108.800 -0.170 0.000 2.562 549 G HA2 -0.335 3.630 3.960 0.007 0.000 0.241 549 G HA3 -0.335 3.630 3.960 0.007 0.000 0.241 549 G C 0.492 175.346 174.900 -0.077 0.000 1.120 549 G CA 0.744 45.784 45.100 -0.099 0.000 0.673 549 G HN 0.733 nan 8.290 nan 0.000 0.519 550 R N -0.572 119.877 120.500 -0.085 0.000 2.725 550 R HA 0.643 4.988 4.340 0.007 0.000 0.277 550 R C -0.578 175.690 176.300 -0.053 0.000 0.987 550 R CA -0.268 55.803 56.100 -0.049 0.000 0.901 550 R CB 2.916 33.199 30.300 -0.028 0.000 1.207 550 R HN 0.794 nan 8.270 nan 0.000 0.463 551 V N -1.114 118.789 119.914 -0.018 0.000 2.914 551 V HA 0.703 4.827 4.120 0.007 0.000 0.314 551 V C -0.507 175.597 176.094 0.017 0.000 1.084 551 V CA -0.973 61.328 62.300 0.001 0.000 0.963 551 V CB 2.205 34.041 31.823 0.022 0.000 1.025 551 V HN 0.876 nan 8.190 nan 0.000 0.432 552 R N 2.445 122.957 120.500 0.020 0.000 2.754 552 R HA 0.480 4.824 4.340 0.007 0.000 0.255 552 R C -1.823 174.494 176.300 0.028 0.000 1.723 552 R CA -0.247 55.869 56.100 0.028 0.000 1.596 552 R CB 1.464 31.779 30.300 0.025 0.000 1.424 552 R HN 0.756 nan 8.270 nan 0.000 0.662 553 V N 5.330 125.256 119.914 0.021 0.000 2.455 553 V HA 0.271 4.395 4.120 0.007 0.000 0.273 553 V C 0.672 176.797 176.094 0.052 0.000 1.045 553 V CA -0.188 62.119 62.300 0.012 0.000 0.976 553 V CB 0.808 32.602 31.823 -0.049 0.000 0.993 553 V HN 0.502 nan 8.190 nan 0.000 0.475 554 R N 6.430 126.973 120.500 0.072 0.000 2.474 554 R HA 0.538 4.882 4.340 0.007 0.000 0.295 554 R C -2.885 173.503 176.300 0.147 0.000 0.980 554 R CA -2.175 53.985 56.100 0.099 0.000 0.934 554 R CB 1.476 31.821 30.300 0.075 0.000 1.101 554 R HN 0.372 nan 8.270 nan 0.000 0.469 555 P HA 0.079 nan 4.420 nan 0.000 0.270 555 P C -1.234 176.135 177.300 0.116 0.000 1.242 555 P CA 0.069 63.339 63.100 0.283 0.000 0.768 555 P CB 0.392 32.292 31.700 0.335 0.000 0.820 556 E N 4.936 125.145 120.200 0.015 0.000 3.132 556 E HA 0.239 4.594 4.350 0.007 0.000 0.241 556 E C -2.359 173.893 176.600 -0.581 0.000 1.196 556 E CA -2.054 54.241 56.400 -0.175 0.000 0.869 556 E CB 0.553 30.229 29.700 -0.041 0.000 1.387 556 E HN 0.395 nan 8.360 nan 0.000 0.393 557 P HA -0.071 nan 4.420 nan 0.000 0.262 557 P C -0.133 176.794 177.300 -0.622 0.000 1.182 557 P CA 0.069 62.478 63.100 -1.152 0.000 0.761 557 P CB 0.595 31.832 31.700 -0.773 0.000 0.795 558 N N 1.730 120.138 118.700 -0.487 0.000 2.276 558 N HA 0.074 4.818 4.740 0.007 0.000 0.212 558 N C -0.542 174.746 175.510 -0.371 0.000 1.127 558 N CA -0.202 52.672 53.050 -0.293 0.000 0.834 558 N CB 0.053 38.460 38.487 -0.134 0.000 1.014 558 N HN 0.088 nan 8.380 nan 0.000 0.491 559 V N -0.169 119.433 119.914 -0.521 0.000 2.789 559 V HA 0.416 4.541 4.120 0.007 0.000 0.311 559 V C -0.360 175.407 176.094 -0.544 0.000 1.073 559 V CA -0.969 60.923 62.300 -0.679 0.000 0.921 559 V CB 2.438 33.771 31.823 -0.816 0.000 1.009 559 V HN -0.021 nan 8.190 nan 0.000 0.426 560 K N 2.098 122.236 120.400 -0.437 0.000 2.358 560 K HA 0.690 5.015 4.320 0.007 0.000 0.260 560 K C -1.329 175.131 176.600 -0.233 0.000 0.956 560 K CA -0.553 55.566 56.287 -0.280 0.000 0.834 560 K CB 2.117 34.502 32.500 -0.191 0.000 1.102 560 K HN 0.527 nan 8.250 nan 0.000 0.431 561 V N 5.380 125.196 119.914 -0.163 0.000 2.350 561 V HA 0.239 4.364 4.120 0.007 0.000 0.276 561 V C 0.283 176.334 176.094 -0.072 0.000 1.028 561 V CA -0.942 61.294 62.300 -0.108 0.000 0.860 561 V CB 0.808 32.613 31.823 -0.031 0.000 0.990 561 V HN 0.623 nan 8.190 nan 0.000 0.453 562 I N 4.331 124.851 120.570 -0.083 0.000 2.556 562 I HA 0.336 4.511 4.170 0.007 0.000 0.284 562 I C 1.452 177.535 176.117 -0.057 0.000 1.114 562 I CA 0.916 62.179 61.300 -0.062 0.000 1.418 562 I CB 0.108 38.072 38.000 -0.060 0.000 1.394 562 I HN 0.963 nan 8.210 nan 0.000 0.552 563 G N 5.986 114.763 108.800 -0.037 0.000 2.162 563 G HA2 -0.220 3.745 3.960 0.007 0.000 0.260 563 G HA3 -0.220 3.745 3.960 0.007 0.000 0.260 563 G C 0.350 175.238 174.900 -0.020 0.000 0.976 563 G CA -0.211 44.871 45.100 -0.030 0.000 0.655 563 G HN 0.523 nan 8.290 nan 0.000 0.533 564 R N -0.480 120.013 120.500 -0.011 0.000 2.771 564 R HA 0.426 4.770 4.340 0.007 0.000 0.274 564 R C -1.017 175.303 176.300 0.032 0.000 0.987 564 R CA -1.103 55.004 56.100 0.012 0.000 0.908 564 R CB 0.760 31.074 30.300 0.023 0.000 1.213 564 R HN 0.094 nan 8.270 nan 0.000 0.468 565 N N 1.857 120.578 118.700 0.035 0.000 2.437 565 N HA 0.073 4.818 4.740 0.007 0.000 0.243 565 N C -0.923 174.617 175.510 0.049 0.000 1.041 565 N CA -0.116 52.958 53.050 0.041 0.000 0.940 565 N CB 0.403 38.905 38.487 0.024 0.000 1.133 565 N HN 0.412 nan 8.380 nan 0.000 0.506 566 Y N 3.901 124.188 120.300 -0.021 0.000 2.480 566 Y HA 0.135 4.690 4.550 0.008 0.000 0.341 566 Y C 0.228 176.113 175.900 -0.025 0.000 1.031 566 Y CA -0.278 57.806 58.100 -0.025 0.000 1.295 566 Y CB 0.344 38.775 38.460 -0.049 0.000 1.162 566 Y HN 0.231 nan 8.280 nan 0.000 0.523 567 R N 6.561 126.689 120.500 -0.619 0.000 2.536 567 R HA 0.583 4.927 4.340 0.007 0.000 0.279 567 R C -1.203 174.783 176.300 -0.523 0.000 1.001 567 R CA -0.866 54.986 56.100 -0.414 0.000 1.027 567 R CB 1.320 31.463 30.300 -0.262 0.000 1.096 567 R HN 0.767 nan 8.270 nan 0.000 0.502 568 L N 2.521 123.579 121.223 -0.275 0.000 2.354 568 L HA 0.564 4.908 4.340 0.007 0.000 0.264 568 L C -2.025 174.710 176.870 -0.226 0.000 1.008 568 L CA -1.967 52.749 54.840 -0.207 0.000 0.819 568 L CB 2.493 44.564 42.059 0.020 0.000 1.339 568 L HN 0.397 nan 8.230 nan 0.000 0.420 569 P HA 0.224 nan 4.420 nan 0.000 0.284 569 P C -1.344 175.990 177.300 0.057 0.000 1.292 569 P CA -0.526 62.538 63.100 -0.061 0.000 0.800 569 P CB 0.963 32.520 31.700 -0.237 0.000 1.188 570 E N 0.034 120.304 120.200 0.117 0.000 2.167 570 E HA 0.193 4.547 4.350 0.007 0.000 0.284 570 E C 0.403 177.074 176.600 0.118 0.000 1.016 570 E CA -0.546 55.918 56.400 0.106 0.000 0.817 570 E CB 0.211 29.970 29.700 0.099 0.000 1.080 570 E HN 0.212 nan 8.360 nan 0.000 0.397 571 V N 1.675 121.661 119.914 0.119 0.000 3.647 571 V HA 0.255 4.379 4.120 0.007 0.000 0.279 571 V C 0.554 176.714 176.094 0.110 0.000 1.314 571 V CA 0.652 63.037 62.300 0.141 0.000 1.125 571 V CB -0.857 31.072 31.823 0.176 0.000 0.907 571 V HN 0.631 nan 8.190 nan 0.000 0.434 572 T N -2.697 111.906 114.554 0.083 0.000 2.927 572 T HA 0.856 5.210 4.350 0.007 0.000 0.286 572 T C 0.300 175.024 174.700 0.039 0.000 1.040 572 T CA -0.007 62.127 62.100 0.056 0.000 1.010 572 T CB 1.612 70.507 68.868 0.044 0.000 1.177 572 T HN 1.884 nan 8.240 nan 0.000 0.546 573 G N 0.000 108.810 108.800 0.017 0.000 5.446 573 G HA2 0.000 3.964 3.960 0.007 0.000 0.244 573 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 573 G CA 0.000 45.096 45.100 -0.006 0.000 0.502 573 G HN 0.000 nan 8.290 nan 0.000 0.925