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 2eus_1_A DATA FIRST_RESID 3 DATA SEQUENCE TLVHVASVEK GRSYEDFQKV YNAIALKLRE DDEYDNYIGY GPVLVRLAWH DATA SEQUENCE ISGTWDKHDN TGGSYGGTYR FKKEFNDPSN AGLQNGFKFL EPIHKEFPWI DATA SEQUENCE SSGDLFSLGG VTAVQEMQGP KIPWRCGRVD TPEDTTPDNG RLPDADKDAG DATA SEQUENCE YVRTFFQRLN MNDREVVALM GAHALGKTHL KNSGYEGPGG AANNVFTNEF DATA SEQUENCE YLNLLNEDWK LEKNDANNEQ WDSKSGYMML PTDYSLIQDP KYLSIVKEYA DATA SEQUENCE NDQDKFFKDF SKAFEKLLEN GITFPKDAPS PFIFKTLEEQ GL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.652 174.700 -0.081 0.000 1.109 3 T CA 0.000 62.067 62.100 -0.055 0.000 1.349 3 T CB 0.000 68.838 68.868 -0.049 0.000 0.612 4 L N 4.148 125.306 121.223 -0.108 0.000 2.260 4 L HA 0.735 5.075 4.340 -0.000 0.000 0.289 4 L C -0.855 175.851 176.870 -0.274 0.000 1.057 4 L CA -0.429 54.300 54.840 -0.185 0.000 0.811 4 L CB 0.651 42.599 42.059 -0.185 0.000 1.184 4 L HN 0.447 nan 8.230 nan 0.000 0.429 5 V N 4.215 123.947 119.914 -0.304 0.000 2.555 5 V HA 0.418 4.538 4.120 -0.000 0.000 0.302 5 V C -0.626 175.211 176.094 -0.428 0.000 1.038 5 V CA -0.770 61.352 62.300 -0.297 0.000 0.887 5 V CB 1.838 33.565 31.823 -0.160 0.000 0.991 5 V HN 0.569 nan 8.190 nan 0.000 0.434 6 H N 3.171 122.021 119.070 -0.368 0.000 2.685 6 H HA 0.457 5.013 4.556 -0.000 0.000 0.307 6 H C -0.662 174.303 175.328 -0.604 0.000 1.017 6 H CA -0.435 55.160 56.048 -0.754 0.000 1.237 6 H CB 1.783 30.704 29.762 -1.402 0.000 1.409 6 H HN 0.362 nan 8.280 nan 0.000 0.488 7 V N 2.674 122.462 119.914 -0.210 0.000 2.406 7 V HA 0.313 4.433 4.120 -0.000 0.000 0.272 7 V C 0.920 177.018 176.094 0.008 0.000 1.043 7 V CA -0.963 61.264 62.300 -0.122 0.000 0.915 7 V CB 0.958 32.753 31.823 -0.048 0.000 0.988 7 V HN 0.880 nan 8.190 nan 0.000 0.466 8 A N 4.186 126.925 122.820 -0.134 0.000 2.546 8 A HA 0.400 4.720 4.320 -0.000 0.000 0.243 8 A C 0.549 178.152 177.584 0.032 0.000 1.063 8 A CA 0.404 52.400 52.037 -0.068 0.000 0.757 8 A CB 0.210 19.007 19.000 -0.339 0.000 0.991 8 A HN 0.887 nan 8.150 nan 0.000 0.503 9 S N 2.623 118.366 115.700 0.071 0.000 2.774 9 S HA 0.431 4.901 4.470 -0.000 0.000 0.297 9 S C -0.475 174.185 174.600 0.101 0.000 1.143 9 S CA -0.623 57.627 58.200 0.082 0.000 1.090 9 S CB 0.460 63.716 63.200 0.092 0.000 1.019 9 S HN 0.770 nan 8.310 nan 0.000 0.482 10 V N 4.998 124.986 119.914 0.122 0.000 2.557 10 V HA 0.042 4.162 4.120 -0.000 0.000 0.301 10 V C 0.535 176.756 176.094 0.212 0.000 1.026 10 V CA 0.055 62.469 62.300 0.191 0.000 1.137 10 V CB -0.192 31.749 31.823 0.197 0.000 0.917 10 V HN 0.824 nan 8.190 nan 0.000 0.484 11 E N 3.624 124.012 120.200 0.312 0.000 2.558 11 E HA -0.020 4.330 4.350 -0.000 0.000 0.255 11 E C 0.301 176.996 176.600 0.158 0.000 0.968 11 E CA 0.308 56.874 56.400 0.277 0.000 0.939 11 E CB 0.146 30.116 29.700 0.450 0.000 0.921 11 E HN 0.525 nan 8.360 nan 0.000 0.477 12 K N 2.018 122.479 120.400 0.102 0.000 2.436 12 K HA 0.084 4.404 4.320 -0.000 0.000 0.282 12 K C 0.829 177.420 176.600 -0.016 0.000 1.044 12 K CA 0.914 57.231 56.287 0.051 0.000 1.028 12 K CB -0.068 32.460 32.500 0.046 0.000 0.919 12 K HN 0.720 nan 8.250 nan 0.000 0.474 13 G N 3.462 112.256 108.800 -0.010 0.000 2.148 13 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.254 13 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.254 13 G C -0.227 174.604 174.900 -0.115 0.000 0.981 13 G CA -0.054 45.013 45.100 -0.054 0.000 0.670 13 G HN 0.556 nan 8.290 nan 0.000 0.528 14 R N 0.423 120.863 120.500 -0.100 0.000 2.540 14 R HA 0.775 5.114 4.340 -0.000 0.000 0.287 14 R C 0.483 176.838 176.300 0.093 0.000 0.980 14 R CA 0.307 56.283 56.100 -0.207 0.000 0.966 14 R CB 1.591 31.622 30.300 -0.448 0.000 1.106 14 R HN 0.707 nan 8.270 nan 0.000 0.480 15 S N 0.113 115.849 115.700 0.061 0.000 2.806 15 S HA 0.179 4.648 4.470 -0.000 0.000 0.306 15 S C 0.807 175.523 174.600 0.192 0.000 1.167 15 S CA -0.773 57.559 58.200 0.219 0.000 0.847 15 S CB 0.575 63.845 63.200 0.117 0.000 1.216 15 S HN 0.656 nan 8.310 nan 0.000 0.532 16 Y N 1.631 121.836 120.300 -0.159 0.000 2.096 16 Y HA -0.236 4.314 4.550 -0.000 0.000 0.278 16 Y C 1.985 177.824 175.900 -0.101 0.000 1.192 16 Y CA 2.757 60.547 58.100 -0.515 0.000 1.143 16 Y CB -0.667 37.513 38.460 -0.468 0.000 0.963 16 Y HN 0.814 nan 8.280 nan 0.000 0.505 17 E N 0.238 120.389 120.200 -0.082 0.000 2.106 17 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 17 E C 1.902 178.396 176.600 -0.177 0.000 0.984 17 E CA 1.441 57.749 56.400 -0.154 0.000 0.806 17 E CB -0.298 29.390 29.700 -0.019 0.000 0.750 17 E HN 0.587 nan 8.360 nan 0.000 0.458 18 D N -0.141 120.144 120.400 -0.193 0.000 2.117 18 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 18 D C 1.677 177.837 176.300 -0.233 0.000 0.987 18 D CA 0.990 54.829 54.000 -0.268 0.000 0.829 18 D CB -0.219 40.190 40.800 -0.651 0.000 0.961 18 D HN 0.220 nan 8.370 nan 0.000 0.460 19 F N 0.958 120.898 119.950 -0.017 0.000 2.234 19 F HA -0.099 4.428 4.527 -0.000 0.000 0.299 19 F C 2.665 178.144 175.800 -0.535 0.000 1.087 19 F CA 0.551 58.482 58.000 -0.114 0.000 1.340 19 F CB -0.502 38.632 39.000 0.224 0.000 1.031 19 F HN -0.125 nan 8.300 nan 0.000 0.500 20 Q N 1.126 120.731 119.800 -0.324 0.000 2.124 20 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 20 Q C 1.866 177.673 176.000 -0.322 0.000 0.977 20 Q CA 1.738 57.275 55.803 -0.443 0.000 0.850 20 Q CB -0.203 28.283 28.738 -0.419 0.000 0.901 20 Q HN 0.301 nan 8.270 nan 0.000 0.429 21 K N -0.970 119.267 120.400 -0.271 0.000 2.097 21 K HA -0.084 4.236 4.320 -0.000 0.000 0.205 21 K C 1.952 178.248 176.600 -0.506 0.000 1.050 21 K CA 1.377 57.535 56.287 -0.215 0.000 0.938 21 K CB -0.010 32.476 32.500 -0.023 0.000 0.718 21 K HN 0.073 nan 8.250 nan 0.000 0.442 22 V N 0.597 119.996 119.914 -0.858 0.000 2.307 22 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 22 V C 2.032 177.774 176.094 -0.587 0.000 1.045 22 V CA 1.645 63.291 62.300 -1.090 0.000 1.024 22 V CB -0.640 30.585 31.823 -0.997 0.000 0.651 22 V HN 0.262 nan 8.190 nan 0.000 0.449 23 Y N 1.926 121.808 120.300 -0.696 0.000 2.102 23 Y HA -0.330 4.220 4.550 -0.000 0.000 0.280 23 Y C 2.337 178.030 175.900 -0.346 0.000 1.178 23 Y CA 2.306 60.046 58.100 -0.599 0.000 1.146 23 Y CB -0.721 37.234 38.460 -0.842 0.000 0.968 23 Y HN 0.362 nan 8.280 nan 0.000 0.504 24 N N -0.251 118.447 118.700 -0.003 0.000 2.188 24 N HA -0.167 4.573 4.740 -0.000 0.000 0.184 24 N C 1.996 177.473 175.510 -0.055 0.000 1.018 24 N CA 0.752 53.826 53.050 0.039 0.000 0.858 24 N CB -0.325 38.184 38.487 0.038 0.000 0.989 24 N HN 0.481 nan 8.380 nan 0.000 0.426 25 A N 1.498 124.270 122.820 -0.080 0.000 1.877 25 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 25 A C 2.131 179.650 177.584 -0.109 0.000 1.186 25 A CA 1.026 53.043 52.037 -0.034 0.000 0.620 25 A CB -0.645 18.441 19.000 0.142 0.000 0.822 25 A HN 0.169 nan 8.150 nan 0.000 0.443 26 I N -0.158 120.307 120.570 -0.175 0.000 2.163 26 I HA -0.309 3.861 4.170 -0.000 0.000 0.243 26 I C 2.955 179.026 176.117 -0.077 0.000 1.085 26 I CA 1.246 62.477 61.300 -0.115 0.000 1.347 26 I CB -0.338 37.534 38.000 -0.214 0.000 1.044 26 I HN 0.354 nan 8.210 nan 0.000 0.408 27 A N 0.637 123.330 122.820 -0.212 0.000 1.930 27 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 27 A C 2.288 179.853 177.584 -0.032 0.000 1.175 27 A CA 1.283 53.225 52.037 -0.159 0.000 0.627 27 A CB -0.755 18.121 19.000 -0.207 0.000 0.815 27 A HN 0.378 nan 8.150 nan 0.000 0.443 28 L N -0.820 120.386 121.223 -0.028 0.000 2.093 28 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 28 L C 2.591 179.460 176.870 -0.001 0.000 1.085 28 L CA 1.760 56.597 54.840 -0.006 0.000 0.755 28 L CB -0.313 41.739 42.059 -0.013 0.000 0.904 28 L HN 0.406 nan 8.230 nan 0.000 0.435 29 K N 0.446 120.828 120.400 -0.030 0.000 2.097 29 K HA -0.130 4.190 4.320 -0.000 0.000 0.205 29 K C 2.155 178.867 176.600 0.186 0.000 1.050 29 K CA 0.935 57.180 56.287 -0.069 0.000 0.938 29 K CB 0.023 32.258 32.500 -0.442 0.000 0.718 29 K HN 0.215 nan 8.250 nan 0.000 0.442 30 L N 0.583 121.985 121.223 0.299 0.000 2.046 30 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 30 L C 2.796 179.765 176.870 0.165 0.000 1.077 30 L CA 1.313 56.303 54.840 0.249 0.000 0.747 30 L CB -0.371 41.737 42.059 0.082 0.000 0.896 30 L HN 0.248 nan 8.230 nan 0.000 0.432 31 R N 0.270 120.834 120.500 0.107 0.000 2.075 31 R HA -0.220 4.120 4.340 -0.000 0.000 0.232 31 R C 2.201 178.561 176.300 0.099 0.000 1.126 31 R CA 1.833 57.986 56.100 0.089 0.000 0.963 31 R CB -0.127 30.210 30.300 0.060 0.000 0.858 31 R HN 0.379 nan 8.270 nan 0.000 0.435 32 E N 0.151 120.404 120.200 0.088 0.000 2.072 32 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 32 E C -0.099 176.570 176.600 0.115 0.000 0.985 32 E CA 1.167 57.613 56.400 0.077 0.000 0.801 32 E CB 0.116 29.834 29.700 0.030 0.000 0.750 32 E HN 0.243 nan 8.360 nan 0.000 0.452 33 D N 1.346 121.853 120.400 0.179 0.000 3.057 33 D HA -0.033 4.607 4.640 -0.000 0.000 0.246 33 D C -0.006 176.447 176.300 0.256 0.000 1.238 33 D CA 0.107 54.260 54.000 0.255 0.000 0.949 33 D CB 0.271 41.314 40.800 0.405 0.000 1.086 33 D HN 0.327 nan 8.370 nan 0.000 0.487 34 D N -0.646 119.852 120.400 0.165 0.000 2.347 34 D HA -0.118 4.522 4.640 -0.000 0.000 0.213 34 D C 0.938 177.249 176.300 0.018 0.000 0.985 34 D CA 0.403 54.490 54.000 0.146 0.000 0.879 34 D CB 0.198 41.106 40.800 0.181 0.000 0.919 34 D HN 0.302 nan 8.370 nan 0.000 0.526 35 E N -0.472 119.644 120.200 -0.140 0.000 2.371 35 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 35 E C 0.132 176.448 176.600 -0.473 0.000 1.012 35 E CA -0.278 55.722 56.400 -0.667 0.000 0.860 35 E CB -0.155 29.245 29.700 -0.498 0.000 0.811 35 E HN 0.347 nan 8.360 nan 0.000 0.502 36 Y N 2.796 122.903 120.300 -0.321 0.000 2.810 36 Y HA -0.143 4.407 4.550 -0.000 0.000 0.332 36 Y C 0.382 176.088 175.900 -0.325 0.000 1.243 36 Y CA 0.384 58.254 58.100 -0.385 0.000 1.537 36 Y CB 0.213 38.207 38.460 -0.777 0.000 1.265 36 Y HN -0.020 nan 8.280 nan 0.000 0.572 37 D N 5.088 124.881 120.400 -1.012 0.000 2.746 37 D HA -0.292 4.348 4.640 -0.000 0.000 0.241 37 D C -0.498 175.616 176.300 -0.309 0.000 1.140 37 D CA 1.302 54.856 54.000 -0.742 0.000 0.707 37 D CB -1.374 38.897 40.800 -0.882 0.000 1.034 37 D HN 0.845 nan 8.370 nan 0.000 0.423 38 N N 0.589 119.146 118.700 -0.239 0.000 2.705 38 N HA -0.297 4.443 4.740 -0.000 0.000 0.255 38 N C 0.039 175.619 175.510 0.117 0.000 1.008 38 N CA 1.414 54.444 53.050 -0.033 0.000 0.742 38 N CB -1.396 37.109 38.487 0.030 0.000 0.906 38 N HN 0.685 nan 8.380 nan 0.000 0.541 39 Y N -3.639 116.633 120.300 -0.047 0.000 4.729 39 Y HA -0.296 4.254 4.550 0.000 0.000 0.239 39 Y C 1.642 177.543 175.900 0.002 0.000 1.043 39 Y CA 0.858 58.955 58.100 -0.005 0.000 2.045 39 Y CB -2.093 36.371 38.460 0.008 0.000 1.599 39 Y HN 0.408 nan 8.280 nan 0.000 0.655 40 I N -0.176 120.423 120.570 0.049 0.000 2.353 40 I HA 0.025 4.195 4.170 -0.000 0.000 0.248 40 I C 1.777 177.934 176.117 0.067 0.000 1.119 40 I CA 1.348 62.677 61.300 0.047 0.000 1.417 40 I CB -0.456 37.549 38.000 0.008 0.000 1.078 40 I HN 0.544 nan 8.210 nan 0.000 0.421 41 G N -0.325 108.512 108.800 0.062 0.000 2.796 41 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.571 41 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.571 41 G C -0.200 174.766 174.900 0.111 0.000 1.370 41 G CA -0.259 44.906 45.100 0.109 0.000 0.856 41 G HN 0.166 nan 8.290 nan 0.000 0.538 42 Y N 1.627 121.923 120.300 -0.008 0.000 2.529 42 Y HA 0.230 4.780 4.550 -0.000 0.000 0.290 42 Y C 2.724 178.463 175.900 -0.268 0.000 1.177 42 Y CA 1.424 59.355 58.100 -0.281 0.000 1.305 42 Y CB 0.119 38.113 38.460 -0.777 0.000 1.047 42 Y HN 0.778 nan 8.280 nan 0.000 0.522 43 G N 1.395 110.182 108.800 -0.022 0.000 2.480 43 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 43 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 43 G C -0.595 174.304 174.900 -0.002 0.000 1.200 43 G CA 0.828 45.904 45.100 -0.039 0.000 0.782 43 G HN 0.266 nan 8.290 nan 0.000 0.554 44 P HA -0.067 nan 4.420 nan 0.000 0.215 44 P C 2.143 179.493 177.300 0.083 0.000 1.157 44 P CA 0.778 63.919 63.100 0.069 0.000 0.868 44 P CB -0.168 31.578 31.700 0.077 0.000 0.788 45 V N -0.625 119.340 119.914 0.084 0.000 2.515 45 V HA -0.185 3.935 4.120 -0.000 0.000 0.250 45 V C 2.109 178.214 176.094 0.018 0.000 1.058 45 V CA 1.499 63.844 62.300 0.075 0.000 1.064 45 V CB -1.077 30.810 31.823 0.107 0.000 0.675 45 V HN 0.004 nan 8.190 nan 0.000 0.461 46 L N -0.955 120.247 121.223 -0.036 0.000 2.093 46 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 46 L C 2.474 179.386 176.870 0.071 0.000 1.085 46 L CA 1.287 56.097 54.840 -0.049 0.000 0.755 46 L CB -0.646 41.317 42.059 -0.161 0.000 0.904 46 L HN 0.229 nan 8.230 nan 0.000 0.435 47 V N -0.159 119.822 119.914 0.111 0.000 2.295 47 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 47 V C 2.661 178.957 176.094 0.336 0.000 1.049 47 V CA 1.806 64.246 62.300 0.234 0.000 1.024 47 V CB -0.645 31.264 31.823 0.143 0.000 0.648 47 V HN 0.437 nan 8.190 nan 0.000 0.447 48 R N -0.466 120.182 120.500 0.246 0.000 2.096 48 R HA -0.176 4.164 4.340 -0.000 0.000 0.235 48 R C 2.281 178.661 176.300 0.133 0.000 1.127 48 R CA 1.668 57.937 56.100 0.282 0.000 0.968 48 R CB -0.339 30.030 30.300 0.115 0.000 0.861 48 R HN 0.444 nan 8.270 nan 0.000 0.440 49 L N 0.631 121.870 121.223 0.028 0.000 2.017 49 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 49 L C 2.239 179.115 176.870 0.010 0.000 1.073 49 L CA 2.234 57.006 54.840 -0.112 0.000 0.745 49 L CB -0.784 41.159 42.059 -0.193 0.000 0.894 49 L HN 0.195 nan 8.230 nan 0.000 0.432 50 A N -0.333 122.589 122.820 0.171 0.000 1.940 50 A HA -0.280 4.040 4.320 -0.000 0.000 0.219 50 A C 2.278 180.047 177.584 0.308 0.000 1.176 50 A CA 1.856 54.038 52.037 0.240 0.000 0.631 50 A CB -1.444 17.746 19.000 0.316 0.000 0.814 50 A HN 0.841 nan 8.150 nan 0.000 0.446 51 W N -0.080 121.383 121.300 0.272 0.000 2.379 51 W HA -0.179 4.481 4.660 -0.000 0.000 0.307 51 W C 1.820 178.540 176.519 0.336 0.000 1.200 51 W CA 1.638 59.177 57.345 0.324 0.000 1.297 51 W CB -0.708 29.018 29.460 0.443 0.000 1.140 51 W HN 0.568 nan 8.180 nan 0.000 0.507 52 H N 1.140 119.994 119.070 -0.360 0.000 2.423 52 H HA -0.153 4.403 4.556 -0.000 0.000 0.297 52 H C 2.241 177.444 175.328 -0.209 0.000 1.075 52 H CA 1.889 57.622 56.048 -0.525 0.000 1.342 52 H CB 0.082 29.628 29.762 -0.361 0.000 1.395 52 H HN 0.311 nan 8.280 nan 0.000 0.530 53 I N -1.400 119.185 120.570 0.025 0.000 2.546 53 I HA -0.066 4.104 4.170 -0.000 0.000 0.255 53 I C 2.007 178.204 176.117 0.135 0.000 1.163 53 I CA 1.051 62.407 61.300 0.094 0.000 1.457 53 I CB -0.034 38.038 38.000 0.120 0.000 1.092 53 I HN -0.100 nan 8.210 nan 0.000 0.434 54 S N 1.199 116.979 115.700 0.134 0.000 2.439 54 S HA 0.168 4.638 4.470 -0.000 0.000 0.224 54 S C 1.961 176.681 174.600 0.201 0.000 1.029 54 S CA 0.762 59.059 58.200 0.162 0.000 0.946 54 S CB -0.447 62.856 63.200 0.172 0.000 0.797 54 S HN 0.685 nan 8.310 nan 0.000 0.504 55 G N 1.794 110.653 108.800 0.098 0.000 2.848 55 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.208 55 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.208 55 G C 1.312 176.248 174.900 0.061 0.000 1.152 55 G CA 1.104 46.247 45.100 0.072 0.000 0.789 55 G HN 0.600 nan 8.290 nan 0.000 0.531 56 T N -3.526 111.072 114.554 0.074 0.000 3.118 56 T HA -0.034 4.316 4.350 -0.000 0.000 0.260 56 T C 0.901 175.708 174.700 0.180 0.000 1.139 56 T CA -0.581 61.578 62.100 0.099 0.000 1.085 56 T CB -0.113 68.817 68.868 0.103 0.000 0.934 56 T HN 0.193 nan 8.240 nan 0.000 0.518 57 W N 3.081 124.406 121.300 0.042 0.000 2.193 57 W HA 0.380 5.040 4.660 -0.000 0.000 0.338 57 W C -0.511 176.020 176.519 0.019 0.000 1.310 57 W CA -0.544 56.831 57.345 0.050 0.000 1.243 57 W CB 0.298 29.799 29.460 0.067 0.000 1.165 57 W HN 0.029 nan 8.180 nan 0.000 0.566 58 D N 5.133 125.208 120.400 -0.542 0.000 2.471 58 D HA 0.077 4.717 4.640 -0.000 0.000 0.245 58 D C 1.024 176.643 176.300 -1.133 0.000 1.116 58 D CA -0.394 53.242 54.000 -0.607 0.000 0.853 58 D CB 1.272 41.911 40.800 -0.268 0.000 1.123 58 D HN 0.586 nan 8.370 nan 0.000 0.540 59 K N 2.854 122.449 120.400 -1.342 0.000 2.280 59 K HA -0.190 4.130 4.320 -0.000 0.000 0.202 59 K C 0.648 176.855 176.600 -0.654 0.000 1.047 59 K CA 1.198 56.627 56.287 -1.429 0.000 0.942 59 K CB -0.160 31.765 32.500 -0.959 0.000 0.739 59 K HN 0.369 nan 8.250 nan 0.000 0.457 60 H N 1.596 120.404 119.070 -0.437 0.000 2.389 60 H HA -0.065 4.491 4.556 -0.000 0.000 0.299 60 H C 0.847 176.058 175.328 -0.194 0.000 1.081 60 H CA 1.789 57.690 56.048 -0.244 0.000 1.345 60 H CB 0.024 29.671 29.762 -0.192 0.000 1.393 60 H HN 0.699 nan 8.280 nan 0.000 0.520 61 D N -2.481 117.860 120.400 -0.098 0.000 2.539 61 D HA 0.044 4.684 4.640 -0.000 0.000 0.232 61 D C 0.038 176.291 176.300 -0.077 0.000 1.256 61 D CA -0.268 53.686 54.000 -0.075 0.000 0.810 61 D CB -0.489 40.280 40.800 -0.052 0.000 1.090 61 D HN 0.065 nan 8.370 nan 0.000 0.519 62 N N 0.617 119.248 118.700 -0.114 0.000 2.714 62 N HA -0.180 4.560 4.740 -0.000 0.000 0.250 62 N C -0.666 174.923 175.510 0.132 0.000 1.117 62 N CA 1.310 54.407 53.050 0.078 0.000 0.719 62 N CB -1.676 36.869 38.487 0.097 0.000 1.081 62 N HN 0.623 nan 8.380 nan 0.000 0.557 63 T N -3.248 111.330 114.554 0.040 0.000 2.874 63 T HA 0.657 5.007 4.350 -0.000 0.000 0.281 63 T C 1.317 176.140 174.700 0.205 0.000 0.994 63 T CA 0.220 62.388 62.100 0.114 0.000 1.015 63 T CB 1.572 70.464 68.868 0.039 0.000 1.028 63 T HN 1.012 nan 8.240 nan 0.000 0.523 64 G N 0.324 109.263 108.800 0.233 0.000 2.569 64 G HA2 0.316 4.276 3.960 -0.000 0.000 0.259 64 G HA3 0.316 4.276 3.960 -0.000 0.000 0.259 64 G C 0.436 175.564 174.900 0.380 0.000 1.263 64 G CA 0.138 45.397 45.100 0.266 0.000 0.928 64 G HN 2.767 nan 8.290 nan 0.000 0.572 65 G N -2.850 106.167 108.800 0.362 0.000 2.795 65 G HA2 0.286 4.246 3.960 -0.000 0.000 0.664 65 G HA3 0.286 4.246 3.960 -0.000 0.000 0.664 65 G C 1.197 176.216 174.900 0.199 0.000 1.381 65 G CA 1.231 46.494 45.100 0.272 0.000 0.853 65 G HN 2.486 nan 8.290 nan 0.000 0.545 66 S N -1.191 114.589 115.700 0.133 0.000 2.453 66 S HA -0.073 4.397 4.470 -0.000 0.000 0.231 66 S C 1.900 176.587 174.600 0.145 0.000 1.005 66 S CA 1.768 60.059 58.200 0.152 0.000 0.949 66 S CB -0.267 63.000 63.200 0.112 0.000 0.774 66 S HN 1.329 nan 8.310 nan 0.000 0.510 67 Y N 2.808 123.084 120.300 -0.040 0.000 2.128 67 Y HA 0.005 4.555 4.550 -0.000 0.000 0.284 67 Y C 2.353 178.190 175.900 -0.106 0.000 1.154 67 Y CA 1.581 59.602 58.100 -0.133 0.000 1.149 67 Y CB -0.873 37.403 38.460 -0.306 0.000 0.976 67 Y HN 0.359 nan 8.280 nan 0.000 0.505 68 G N -1.350 107.491 108.800 0.070 0.000 2.813 68 G HA2 0.165 4.125 3.960 -0.000 0.000 0.209 68 G HA3 0.165 4.125 3.960 -0.000 0.000 0.209 68 G C 1.235 176.195 174.900 0.099 0.000 1.150 68 G CA 0.298 45.432 45.100 0.056 0.000 0.785 68 G HN 0.883 nan 8.290 nan 0.000 0.535 69 G N 0.425 109.310 108.800 0.141 0.000 2.249 69 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.273 69 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.273 69 G C 1.139 176.238 174.900 0.331 0.000 1.036 69 G CA 1.410 46.650 45.100 0.234 0.000 0.824 69 G HN 1.106 nan 8.290 nan 0.000 0.504 70 T N -3.486 111.274 114.554 0.343 0.000 3.118 70 T HA -0.018 4.332 4.350 -0.000 0.000 0.260 70 T C 1.761 176.654 174.700 0.322 0.000 1.139 70 T CA 1.272 63.600 62.100 0.381 0.000 1.085 70 T CB -0.114 68.986 68.868 0.386 0.000 0.934 70 T HN 0.680 nan 8.240 nan 0.000 0.518 71 Y N 3.341 123.775 120.300 0.223 0.000 2.384 71 Y HA -0.141 4.409 4.550 -0.000 0.000 0.289 71 Y C 2.444 178.399 175.900 0.092 0.000 1.152 71 Y CA 1.208 59.374 58.100 0.110 0.000 1.258 71 Y CB -0.268 38.154 38.460 -0.063 0.000 0.979 71 Y HN 0.284 nan 8.280 nan 0.000 0.549 72 R N -0.968 119.604 120.500 0.120 0.000 2.285 72 R HA -0.074 4.266 4.340 -0.000 0.000 0.213 72 R C -0.529 175.659 176.300 -0.188 0.000 1.068 72 R CA 0.399 56.447 56.100 -0.086 0.000 1.004 72 R CB -0.750 29.511 30.300 -0.065 0.000 0.873 72 R HN 0.178 nan 8.270 nan 0.000 0.467 73 F N 2.636 122.608 119.950 0.037 0.000 2.385 73 F HA 0.247 4.774 4.527 -0.000 0.000 0.336 73 F C 1.532 176.997 175.800 -0.559 0.000 1.100 73 F CA -1.629 56.301 58.000 -0.117 0.000 1.116 73 F CB 1.692 40.648 39.000 -0.074 0.000 1.166 73 F HN -0.118 nan 8.300 nan 0.000 0.511 74 K N 1.498 121.537 120.400 -0.602 0.000 2.152 74 K HA -0.232 4.088 4.320 -0.000 0.000 0.206 74 K C 1.707 177.785 176.600 -0.870 0.000 1.048 74 K CA 1.840 57.258 56.287 -1.448 0.000 0.933 74 K CB -0.170 31.876 32.500 -0.756 0.000 0.721 74 K HN 0.619 nan 8.250 nan 0.000 0.447 75 K N 1.322 121.478 120.400 -0.406 0.000 2.032 75 K HA -0.240 4.080 4.320 -0.000 0.000 0.209 75 K C 2.232 178.694 176.600 -0.231 0.000 1.048 75 K CA 2.046 58.184 56.287 -0.248 0.000 0.927 75 K CB -0.011 32.409 32.500 -0.133 0.000 0.712 75 K HN 0.417 nan 8.250 nan 0.000 0.441 76 E N -0.373 119.698 120.200 -0.215 0.000 2.076 76 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 76 E C 1.870 178.362 176.600 -0.181 0.000 0.979 76 E CA 0.870 57.205 56.400 -0.109 0.000 0.807 76 E CB -0.173 29.539 29.700 0.021 0.000 0.761 76 E HN 0.439 nan 8.360 nan 0.000 0.454 77 F N 0.406 120.102 119.950 -0.424 0.000 2.365 77 F HA 0.082 4.609 4.527 -0.000 0.000 0.300 77 F C 1.200 176.863 175.800 -0.228 0.000 1.090 77 F CA 0.879 58.505 58.000 -0.622 0.000 1.408 77 F CB -0.699 37.664 39.000 -1.062 0.000 1.060 77 F HN -0.075 nan 8.300 nan 0.000 0.534 78 N N -0.062 118.548 118.700 -0.150 0.000 2.336 78 N HA -0.081 4.659 4.740 -0.000 0.000 0.189 78 N C -0.134 175.374 175.510 -0.004 0.000 1.113 78 N CA -0.080 52.956 53.050 -0.023 0.000 0.858 78 N CB -0.197 38.212 38.487 -0.130 0.000 0.970 78 N HN 0.130 nan 8.380 nan 0.000 0.471 79 D N 1.590 121.990 120.400 -0.000 0.000 2.586 79 D HA -0.044 4.596 4.640 -0.000 0.000 0.234 79 D C -1.499 174.844 176.300 0.072 0.000 1.132 79 D CA -1.397 52.624 54.000 0.036 0.000 0.860 79 D CB 1.044 41.880 40.800 0.059 0.000 1.159 79 D HN 0.083 nan 8.370 nan 0.000 0.490 80 P HA -0.110 nan 4.420 nan 0.000 0.217 80 P C 1.213 178.577 177.300 0.107 0.000 1.148 80 P CA 0.925 64.070 63.100 0.074 0.000 0.828 80 P CB 0.215 31.948 31.700 0.055 0.000 0.783 81 S N -0.853 114.912 115.700 0.109 0.000 2.442 81 S HA -0.084 4.386 4.470 -0.000 0.000 0.236 81 S C 1.376 176.134 174.600 0.263 0.000 1.007 81 S CA 0.967 59.258 58.200 0.152 0.000 0.965 81 S CB -0.772 62.467 63.200 0.064 0.000 0.773 81 S HN 0.234 nan 8.310 nan 0.000 0.504 82 N N 1.359 120.201 118.700 0.237 0.000 2.270 82 N HA 0.273 5.013 4.740 -0.000 0.000 0.198 82 N C 0.057 175.682 175.510 0.192 0.000 1.117 82 N CA -0.009 53.207 53.050 0.278 0.000 0.845 82 N CB 0.054 38.745 38.487 0.341 0.000 0.980 82 N HN 0.305 nan 8.380 nan 0.000 0.486 83 A N -0.063 122.849 122.820 0.155 0.000 2.548 83 A HA 0.444 4.764 4.320 -0.000 0.000 0.247 83 A C 1.475 179.120 177.584 0.101 0.000 1.067 83 A CA 0.835 52.944 52.037 0.120 0.000 0.757 83 A CB -0.327 18.733 19.000 0.101 0.000 0.996 83 A HN 0.437 nan 8.150 nan 0.000 0.504 84 G N 1.222 110.074 108.800 0.086 0.000 2.254 84 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.225 84 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.225 84 G C 0.857 175.808 174.900 0.085 0.000 1.003 84 G CA 0.316 45.452 45.100 0.061 0.000 0.622 84 G HN 0.753 nan 8.290 nan 0.000 0.507 85 L N 0.734 122.015 121.223 0.096 0.000 2.376 85 L HA 0.005 4.345 4.340 -0.000 0.000 0.219 85 L C 2.872 179.832 176.870 0.151 0.000 1.133 85 L CA 1.551 56.434 54.840 0.072 0.000 0.816 85 L CB -0.321 41.743 42.059 0.008 0.000 0.933 85 L HN 0.320 nan 8.230 nan 0.000 0.449 86 Q N -0.056 119.852 119.800 0.180 0.000 2.181 86 Q HA -0.193 4.147 4.340 -0.000 0.000 0.205 86 Q C 1.950 178.054 176.000 0.174 0.000 0.980 86 Q CA 1.356 57.253 55.803 0.158 0.000 0.862 86 Q CB -0.250 28.518 28.738 0.050 0.000 0.905 86 Q HN 0.473 nan 8.270 nan 0.000 0.429 87 N N -0.212 118.580 118.700 0.153 0.000 2.120 87 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 87 N C 1.809 177.410 175.510 0.152 0.000 1.024 87 N CA 1.533 54.685 53.050 0.170 0.000 0.852 87 N CB -0.492 38.109 38.487 0.191 0.000 1.003 87 N HN 0.418 nan 8.380 nan 0.000 0.424 88 G N 0.324 109.185 108.800 0.103 0.000 2.402 88 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 88 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 88 G C 1.402 176.348 174.900 0.077 0.000 1.162 88 G CA 0.137 45.255 45.100 0.030 0.000 0.777 88 G HN 0.273 nan 8.290 nan 0.000 0.539 89 F N 1.510 121.453 119.950 -0.011 0.000 2.134 89 F HA 0.015 4.542 4.527 -0.000 0.000 0.299 89 F C 2.685 178.514 175.800 0.049 0.000 1.097 89 F CA 1.810 59.836 58.000 0.043 0.000 1.264 89 F CB -0.014 39.055 39.000 0.116 0.000 1.001 89 F HN 0.030 nan 8.300 nan 0.000 0.479 90 K N -0.655 119.828 120.400 0.139 0.000 2.057 90 K HA -0.212 4.107 4.320 -0.000 0.000 0.207 90 K C 2.051 178.573 176.600 -0.130 0.000 1.049 90 K CA 1.743 58.031 56.287 0.001 0.000 0.931 90 K CB -0.648 31.892 32.500 0.066 0.000 0.714 90 K HN 0.335 nan 8.250 nan 0.000 0.440 91 F N 1.735 121.489 119.950 -0.326 0.000 2.126 91 F HA -0.190 4.337 4.527 -0.000 0.000 0.299 91 F C 1.635 177.217 175.800 -0.363 0.000 1.096 91 F CA 1.428 59.123 58.000 -0.508 0.000 1.255 91 F CB -0.100 38.406 39.000 -0.825 0.000 0.997 91 F HN -0.093 nan 8.300 nan 0.000 0.479 92 L N -0.207 120.976 121.223 -0.067 0.000 2.395 92 L HA -0.107 4.233 4.340 -0.000 0.000 0.218 92 L C 2.265 178.983 176.870 -0.253 0.000 1.130 92 L CA 0.762 55.525 54.840 -0.128 0.000 0.826 92 L CB -0.676 41.372 42.059 -0.019 0.000 0.941 92 L HN 0.192 nan 8.230 nan 0.000 0.451 93 E N 0.672 120.671 120.200 -0.335 0.000 2.049 93 E HA -0.219 4.131 4.350 -0.000 0.000 0.198 93 E C -0.599 175.879 176.600 -0.202 0.000 1.007 93 E CA 1.605 57.830 56.400 -0.292 0.000 0.809 93 E CB -0.877 28.660 29.700 -0.272 0.000 0.749 93 E HN 0.448 nan 8.360 nan 0.000 0.450 94 P HA -0.122 nan 4.420 nan 0.000 0.222 94 P C 1.351 178.538 177.300 -0.188 0.000 1.147 94 P CA 1.008 63.982 63.100 -0.211 0.000 0.790 94 P CB -0.045 31.503 31.700 -0.253 0.000 0.780 95 I N -0.338 120.114 120.570 -0.196 0.000 2.202 95 I HA -0.195 3.975 4.170 -0.000 0.000 0.242 95 I C 2.575 178.669 176.117 -0.037 0.000 1.091 95 I CA 1.548 62.788 61.300 -0.101 0.000 1.368 95 I CB -1.921 35.988 38.000 -0.152 0.000 1.058 95 I HN 0.098 nan 8.210 nan 0.000 0.410 96 H N 0.944 119.910 119.070 -0.173 0.000 2.387 96 H HA -0.187 4.369 4.556 -0.000 0.000 0.299 96 H C 2.376 177.593 175.328 -0.185 0.000 1.090 96 H CA 1.570 57.504 56.048 -0.190 0.000 1.332 96 H CB 0.295 29.932 29.762 -0.210 0.000 1.386 96 H HN 0.170 nan 8.280 nan 0.000 0.516 97 K N 0.652 121.031 120.400 -0.035 0.000 2.097 97 K HA -0.192 4.128 4.320 -0.000 0.000 0.206 97 K C 2.136 178.633 176.600 -0.171 0.000 1.049 97 K CA 1.733 57.957 56.287 -0.105 0.000 0.933 97 K CB 0.050 32.477 32.500 -0.122 0.000 0.717 97 K HN 0.357 nan 8.250 nan 0.000 0.442 98 E N -0.768 119.279 120.200 -0.256 0.000 2.152 98 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 98 E C -0.424 175.689 176.600 -0.813 0.000 0.983 98 E CA 0.654 56.734 56.400 -0.533 0.000 0.818 98 E CB 0.229 29.541 29.700 -0.646 0.000 0.758 98 E HN 0.231 nan 8.360 nan 0.000 0.467 99 F N -0.044 119.751 119.950 -0.258 0.000 2.523 99 F HA 0.322 4.848 4.527 -0.000 0.000 0.322 99 F C -2.061 173.387 175.800 -0.588 0.000 1.361 99 F CA -2.115 55.562 58.000 -0.538 0.000 1.151 99 F CB 1.514 40.016 39.000 -0.829 0.000 1.391 99 F HN -0.037 nan 8.300 nan 0.000 0.566 100 P HA -0.143 nan 4.420 nan 0.000 0.226 100 P C 1.603 178.932 177.300 0.049 0.000 1.153 100 P CA 1.074 64.181 63.100 0.013 0.000 0.777 100 P CB -0.128 31.579 31.700 0.012 0.000 0.794 101 W N -0.774 120.589 121.300 0.105 0.000 2.595 101 W HA 0.138 4.798 4.660 -0.000 0.000 0.257 101 W C 0.585 177.154 176.519 0.084 0.000 1.267 101 W CA -0.402 56.987 57.345 0.074 0.000 1.300 101 W CB -1.227 28.253 29.460 0.033 0.000 1.120 101 W HN -0.097 nan 8.180 nan 0.000 0.618 102 I N 3.686 124.044 120.570 -0.354 0.000 2.575 102 I HA 0.033 4.202 4.170 -0.000 0.000 0.285 102 I C 1.145 177.235 176.117 -0.045 0.000 1.085 102 I CA -0.103 61.050 61.300 -0.244 0.000 1.403 102 I CB 1.158 38.722 38.000 -0.726 0.000 1.409 102 I HN -0.110 nan 8.210 nan 0.000 0.557 103 S N 4.169 119.894 115.700 0.041 0.000 2.593 103 S HA 0.148 4.618 4.470 -0.000 0.000 0.269 103 S C 0.976 175.489 174.600 -0.144 0.000 1.334 103 S CA -0.403 57.798 58.200 0.001 0.000 1.015 103 S CB 1.592 64.780 63.200 -0.020 0.000 0.912 103 S HN 0.723 nan 8.310 nan 0.000 0.541 104 S N 2.001 117.613 115.700 -0.147 0.000 2.368 104 S HA -0.011 4.459 4.470 -0.000 0.000 0.225 104 S C 2.120 176.269 174.600 -0.752 0.000 1.030 104 S CA 1.325 59.232 58.200 -0.488 0.000 0.999 104 S CB -1.174 61.839 63.200 -0.312 0.000 0.844 104 S HN 0.956 nan 8.310 nan 0.000 0.459 105 G N 1.629 110.259 108.800 -0.283 0.000 2.418 105 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.217 105 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.217 105 G C 1.033 175.937 174.900 0.007 0.000 1.158 105 G CA 1.006 46.061 45.100 -0.074 0.000 0.771 105 G HN 0.371 nan 8.290 nan 0.000 0.545 106 D N -0.010 120.407 120.400 0.027 0.000 2.117 106 D HA -0.085 4.555 4.640 -0.000 0.000 0.197 106 D C 2.367 178.767 176.300 0.166 0.000 0.987 106 D CA 0.488 54.671 54.000 0.305 0.000 0.829 106 D CB -0.307 40.740 40.800 0.413 0.000 0.961 106 D HN 0.226 nan 8.370 nan 0.000 0.460 107 L N -0.009 121.111 121.223 -0.171 0.000 2.017 107 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 107 L C 1.919 178.742 176.870 -0.079 0.000 1.073 107 L CA 1.512 56.181 54.840 -0.285 0.000 0.745 107 L CB -0.618 41.096 42.059 -0.574 0.000 0.894 107 L HN -0.111 nan 8.230 nan 0.000 0.432 108 F N -0.127 119.830 119.950 0.011 0.000 2.146 108 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 108 F C 2.891 178.723 175.800 0.053 0.000 1.096 108 F CA 1.118 59.133 58.000 0.024 0.000 1.275 108 F CB -1.779 37.254 39.000 0.054 0.000 1.008 108 F HN 0.314 nan 8.300 nan 0.000 0.480 109 S N 0.275 116.152 115.700 0.296 0.000 2.368 109 S HA -0.145 4.325 4.470 -0.000 0.000 0.224 109 S C 2.004 176.722 174.600 0.197 0.000 1.029 109 S CA 0.918 59.291 58.200 0.289 0.000 0.988 109 S CB -1.067 62.372 63.200 0.399 0.000 0.838 109 S HN 0.264 nan 8.310 nan 0.000 0.462 110 L N 2.945 124.174 121.223 0.011 0.000 2.131 110 L HA 0.191 4.531 4.340 -0.000 0.000 0.210 110 L C 2.390 179.117 176.870 -0.239 0.000 1.092 110 L CA 1.710 56.269 54.840 -0.468 0.000 0.759 110 L CB -1.459 40.123 42.059 -0.794 0.000 0.903 110 L HN 0.384 nan 8.230 nan 0.000 0.435 111 G N -0.876 107.861 108.800 -0.105 0.000 2.476 111 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.218 111 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.218 111 G C 1.518 176.405 174.900 -0.021 0.000 1.164 111 G CA 0.675 45.730 45.100 -0.074 0.000 0.768 111 G HN 0.582 nan 8.290 nan 0.000 0.560 112 G N 0.161 109.028 108.800 0.112 0.000 2.402 112 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.216 112 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.216 112 G C 1.789 176.863 174.900 0.290 0.000 1.162 112 G CA 1.139 46.401 45.100 0.270 0.000 0.777 112 G HN 0.327 nan 8.290 nan 0.000 0.539 113 V N 1.083 121.156 119.914 0.266 0.000 2.295 113 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 113 V C 3.184 179.341 176.094 0.104 0.000 1.049 113 V CA 2.416 64.863 62.300 0.245 0.000 1.024 113 V CB -0.954 31.007 31.823 0.229 0.000 0.648 113 V HN 0.393 nan 8.190 nan 0.000 0.447 114 T N 0.358 114.870 114.554 -0.071 0.000 2.720 114 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 114 T C 2.059 176.627 174.700 -0.219 0.000 1.037 114 T CA 1.666 63.556 62.100 -0.350 0.000 1.144 114 T CB -0.476 67.969 68.868 -0.704 0.000 0.864 114 T HN 0.578 nan 8.240 nan 0.000 0.444 115 A N 1.046 123.781 122.820 -0.142 0.000 1.883 115 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 115 A C 2.614 180.147 177.584 -0.086 0.000 1.186 115 A CA 1.561 53.536 52.037 -0.103 0.000 0.624 115 A CB -1.140 17.816 19.000 -0.074 0.000 0.822 115 A HN 0.342 nan 8.150 nan 0.000 0.444 116 V N 0.115 119.961 119.914 -0.114 0.000 2.287 116 V HA -0.347 3.773 4.120 -0.000 0.000 0.248 116 V C 2.702 178.651 176.094 -0.242 0.000 1.053 116 V CA 2.382 64.510 62.300 -0.286 0.000 1.027 116 V CB -0.958 30.582 31.823 -0.472 0.000 0.646 116 V HN 0.648 nan 8.190 nan 0.000 0.447 117 Q N -0.714 119.026 119.800 -0.100 0.000 2.079 117 Q HA -0.185 4.155 4.340 -0.000 0.000 0.200 117 Q C 2.263 178.280 176.000 0.029 0.000 0.974 117 Q CA 1.277 57.075 55.803 -0.009 0.000 0.840 117 Q CB -0.182 28.662 28.738 0.177 0.000 0.898 117 Q HN 0.610 nan 8.270 nan 0.000 0.430 118 E N 0.277 120.490 120.200 0.021 0.000 2.274 118 E HA -0.054 4.296 4.350 -0.000 0.000 0.194 118 E C 1.374 177.991 176.600 0.027 0.000 0.996 118 E CA 0.694 57.111 56.400 0.028 0.000 0.840 118 E CB 0.047 29.732 29.700 -0.024 0.000 0.772 118 E HN 0.454 nan 8.360 nan 0.000 0.491 119 M N 0.165 119.773 119.600 0.012 0.000 2.581 119 M HA 0.032 4.512 4.480 -0.000 0.000 0.224 119 M C -0.271 176.077 176.300 0.080 0.000 1.171 119 M CA 0.316 55.646 55.300 0.051 0.000 0.993 119 M CB -0.001 32.640 32.600 0.069 0.000 1.685 119 M HN -0.058 nan 8.290 nan 0.000 0.479 120 Q N -1.227 118.605 119.800 0.054 0.000 2.493 120 Q HA -0.132 4.208 4.340 -0.000 0.000 0.260 120 Q C 0.441 176.491 176.000 0.083 0.000 0.905 120 Q CA 0.274 56.131 55.803 0.090 0.000 1.140 120 Q CB -2.328 26.490 28.738 0.134 0.000 1.435 120 Q HN 0.735 nan 8.270 nan 0.000 0.581 121 G N 1.048 109.759 108.800 -0.148 0.000 2.535 121 G HA2 0.550 4.510 3.960 -0.000 0.000 0.282 121 G HA3 0.550 4.510 3.960 -0.000 0.000 0.282 121 G C -2.206 172.329 174.900 -0.607 0.000 1.350 121 G CA -0.832 43.878 45.100 -0.650 0.000 1.039 121 G HN 0.029 nan 8.290 nan 0.000 0.509 122 P HA 0.176 nan 4.420 nan 0.000 0.272 122 P C -0.566 176.595 177.300 -0.231 0.000 1.230 122 P CA -0.463 62.384 63.100 -0.423 0.000 0.788 122 P CB 0.687 32.121 31.700 -0.444 0.000 0.949 123 K N 1.799 122.152 120.400 -0.077 0.000 2.448 123 K HA 0.194 4.514 4.320 -0.000 0.000 0.278 123 K C 0.215 176.807 176.600 -0.013 0.000 1.009 123 K CA 0.146 56.421 56.287 -0.020 0.000 0.995 123 K CB -0.021 32.481 32.500 0.004 0.000 0.917 123 K HN 0.409 nan 8.250 nan 0.000 0.481 124 I N 5.583 126.183 120.570 0.050 0.000 2.382 124 I HA 0.228 4.398 4.170 -0.000 0.000 0.285 124 I C -2.246 173.947 176.117 0.128 0.000 1.007 124 I CA -2.787 58.571 61.300 0.098 0.000 1.142 124 I CB 1.115 39.237 38.000 0.204 0.000 1.289 124 I HN 0.143 nan 8.210 nan 0.000 0.453 125 P HA 0.055 nan 4.420 nan 0.000 0.269 125 P C -1.066 176.298 177.300 0.106 0.000 1.209 125 P CA 0.157 63.273 63.100 0.026 0.000 0.776 125 P CB 0.579 32.238 31.700 -0.069 0.000 0.876 126 W N 3.722 124.954 121.300 -0.114 0.000 3.129 126 W HA 0.461 5.121 4.660 0.000 0.000 0.333 126 W C -1.110 175.279 176.519 -0.218 0.000 1.141 126 W CA -0.605 56.703 57.345 -0.062 0.000 1.224 126 W CB 1.725 31.301 29.460 0.193 0.000 1.393 126 W HN 0.200 nan 8.180 nan 0.000 0.499 127 R N 4.505 124.355 120.500 -1.083 0.000 2.562 127 R HA 0.567 4.907 4.340 -0.000 0.000 0.298 127 R C -0.025 175.320 176.300 -1.593 0.000 0.961 127 R CA -0.724 54.659 56.100 -1.194 0.000 0.881 127 R CB 1.270 30.931 30.300 -1.065 0.000 1.159 127 R HN 0.672 nan 8.270 nan 0.000 0.450 128 C N -0.424 118.145 119.300 -1.218 0.000 2.396 128 C HA 0.873 5.333 4.460 -0.000 0.000 0.359 128 C C 1.360 176.195 174.990 -0.258 0.000 1.307 128 C CA 0.544 59.073 59.018 -0.815 0.000 2.392 128 C CB 0.452 27.831 27.740 -0.602 0.000 2.245 128 C HN 1.050 nan 8.230 nan 0.000 0.615 129 G N 0.530 109.284 108.800 -0.076 0.000 2.183 129 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.168 129 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.168 129 G C -0.028 174.815 174.900 -0.096 0.000 1.008 129 G CA -0.294 44.803 45.100 -0.005 0.000 0.677 129 G HN 0.966 nan 8.290 nan 0.000 0.498 130 R N -0.055 120.337 120.500 -0.180 0.000 2.590 130 R HA 0.471 4.811 4.340 -0.000 0.000 0.274 130 R C -0.104 175.856 176.300 -0.567 0.000 1.061 130 R CA 0.114 55.917 56.100 -0.495 0.000 1.081 130 R CB 1.212 31.344 30.300 -0.279 0.000 0.984 130 R HN 0.092 nan 8.270 nan 0.000 0.448 131 V N 3.043 122.303 119.914 -1.091 0.000 2.487 131 V HA 0.092 4.212 4.120 -0.000 0.000 0.298 131 V C -0.508 175.353 176.094 -0.390 0.000 1.028 131 V CA -1.040 60.950 62.300 -0.518 0.000 0.860 131 V CB 1.833 33.490 31.823 -0.277 0.000 0.991 131 V HN 0.679 nan 8.190 nan 0.000 0.427 132 D N 3.332 123.645 120.400 -0.145 0.000 2.493 132 D HA 0.281 4.921 4.640 -0.000 0.000 0.240 132 D C 0.597 176.931 176.300 0.057 0.000 1.142 132 D CA 0.535 54.520 54.000 -0.025 0.000 0.872 132 D CB 1.015 41.832 40.800 0.029 0.000 1.173 132 D HN 0.795 nan 8.370 nan 0.000 0.467 133 T N -0.731 113.905 114.554 0.136 0.000 2.942 133 T HA 0.707 5.057 4.350 -0.000 0.000 0.289 133 T C -2.670 172.188 174.700 0.264 0.000 1.044 133 T CA -2.091 60.121 62.100 0.186 0.000 1.023 133 T CB 1.874 70.860 68.868 0.197 0.000 1.123 133 T HN -0.045 nan 8.240 nan 0.000 0.512 134 P HA 0.293 nan 4.420 nan 0.000 0.274 134 P C 0.780 177.958 177.300 -0.203 0.000 1.256 134 P CA -0.515 62.630 63.100 0.075 0.000 0.795 134 P CB 0.504 32.213 31.700 0.014 0.000 1.038 135 E N 0.656 120.407 120.200 -0.747 0.000 2.171 135 E HA -0.265 4.085 4.350 -0.000 0.000 0.197 135 E C 1.034 177.322 176.600 -0.521 0.000 0.997 135 E CA 1.531 57.136 56.400 -1.325 0.000 0.810 135 E CB -0.229 28.724 29.700 -1.245 0.000 0.738 135 E HN 0.484 nan 8.360 nan 0.000 0.467 136 D N -0.611 119.625 120.400 -0.273 0.000 2.378 136 D HA -0.115 4.524 4.640 -0.000 0.000 0.227 136 D C 1.520 177.784 176.300 -0.060 0.000 1.012 136 D CA 1.325 55.242 54.000 -0.138 0.000 0.905 136 D CB -0.433 40.312 40.800 -0.091 0.000 0.895 136 D HN 0.226 nan 8.370 nan 0.000 0.532 137 T N -3.844 110.695 114.554 -0.025 0.000 3.107 137 T HA 0.069 4.419 4.350 -0.000 0.000 0.249 137 T C 0.731 175.486 174.700 0.091 0.000 1.096 137 T CA -0.334 61.804 62.100 0.064 0.000 1.012 137 T CB -0.698 68.250 68.868 0.133 0.000 0.977 137 T HN -0.092 nan 8.240 nan 0.000 0.527 138 T N 5.829 120.414 114.554 0.052 0.000 2.853 138 T HA 0.266 4.616 4.350 -0.000 0.000 0.298 138 T C -2.326 172.413 174.700 0.065 0.000 0.978 138 T CA -0.807 61.353 62.100 0.099 0.000 1.152 138 T CB 0.750 69.658 68.868 0.067 0.000 0.914 138 T HN 0.324 nan 8.240 nan 0.000 0.539 139 P HA 0.208 nan 4.420 nan 0.000 0.275 139 P C -0.362 176.957 177.300 0.033 0.000 1.228 139 P CA -0.535 62.602 63.100 0.062 0.000 0.786 139 P CB 0.677 32.427 31.700 0.084 0.000 0.927 140 D N 1.311 121.720 120.400 0.015 0.000 2.378 140 D HA 0.061 4.701 4.640 -0.000 0.000 0.238 140 D C 0.586 176.891 176.300 0.009 0.000 1.180 140 D CA 0.338 54.339 54.000 0.002 0.000 0.895 140 D CB 0.084 40.882 40.800 -0.004 0.000 1.192 140 D HN 0.344 nan 8.370 nan 0.000 0.438 141 N N -0.328 118.373 118.700 0.002 0.000 2.381 141 N HA 0.280 5.020 4.740 -0.000 0.000 0.241 141 N C 1.030 176.551 175.510 0.019 0.000 1.279 141 N CA 0.370 53.426 53.050 0.010 0.000 0.896 141 N CB 0.531 39.020 38.487 0.005 0.000 1.118 141 N HN 0.565 nan 8.380 nan 0.000 0.438 142 G N 0.124 108.940 108.800 0.028 0.000 2.168 142 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.197 142 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.197 142 G C 0.719 175.662 174.900 0.071 0.000 0.997 142 G CA -0.333 44.795 45.100 0.046 0.000 0.658 142 G HN 0.576 nan 8.290 nan 0.000 0.513 143 R N -0.633 119.904 120.500 0.061 0.000 2.290 143 R HA 0.394 4.734 4.340 -0.000 0.000 0.197 143 R C 0.972 177.383 176.300 0.184 0.000 0.913 143 R CA 0.058 56.215 56.100 0.096 0.000 1.040 143 R CB 0.240 30.567 30.300 0.046 0.000 0.992 143 R HN 0.386 nan 8.270 nan 0.000 0.500 144 L N 2.308 123.562 121.223 0.052 0.000 2.379 144 L HA 0.362 4.702 4.340 -0.000 0.000 0.269 144 L C -2.008 174.803 176.870 -0.099 0.000 1.084 144 L CA -2.252 52.538 54.840 -0.083 0.000 0.802 144 L CB 0.738 42.557 42.059 -0.400 0.000 1.175 144 L HN -0.137 nan 8.230 nan 0.000 0.448 145 P HA 0.166 nan 4.420 nan 0.000 0.277 145 P C -1.411 175.862 177.300 -0.044 0.000 1.240 145 P CA -0.572 62.259 63.100 -0.448 0.000 0.798 145 P CB 0.849 31.931 31.700 -1.031 0.000 0.979 146 D N 0.750 121.190 120.400 0.066 0.000 2.341 146 D HA 0.269 4.909 4.640 -0.000 0.000 0.245 146 D C 0.905 177.197 176.300 -0.014 0.000 1.106 146 D CA -0.235 53.761 54.000 -0.007 0.000 0.905 146 D CB 0.975 41.678 40.800 -0.162 0.000 1.202 146 D HN 0.351 nan 8.370 nan 0.000 0.426 147 A N 1.334 124.166 122.820 0.021 0.000 2.348 147 A HA -0.028 4.292 4.320 -0.000 0.000 0.224 147 A C 1.050 178.610 177.584 -0.040 0.000 1.227 147 A CA -0.038 51.978 52.037 -0.035 0.000 0.885 147 A CB 0.075 18.957 19.000 -0.196 0.000 0.933 147 A HN 0.495 nan 8.150 nan 0.000 0.506 148 D N -0.393 120.015 120.400 0.013 0.000 2.340 148 D HA 0.034 4.674 4.640 -0.000 0.000 0.220 148 D C 0.384 176.680 176.300 -0.007 0.000 1.039 148 D CA 0.268 54.302 54.000 0.056 0.000 0.866 148 D CB 0.182 41.037 40.800 0.092 0.000 0.913 148 D HN 0.086 nan 8.370 nan 0.000 0.523 149 K N 0.756 121.108 120.400 -0.081 0.000 2.416 149 K HA 0.307 4.627 4.320 -0.000 0.000 0.244 149 K C 0.305 176.963 176.600 0.096 0.000 1.044 149 K CA -0.521 55.706 56.287 -0.099 0.000 0.972 149 K CB 0.822 33.008 32.500 -0.523 0.000 1.286 149 K HN 0.145 nan 8.250 nan 0.000 0.500 150 D N -1.697 118.805 120.400 0.169 0.000 2.588 150 D HA 0.338 4.978 4.640 -0.000 0.000 0.268 150 D C 0.691 177.168 176.300 0.295 0.000 1.176 150 D CA -0.605 53.526 54.000 0.218 0.000 1.080 150 D CB 0.282 41.191 40.800 0.182 0.000 1.186 150 D HN 0.305 nan 8.370 nan 0.000 0.619 151 A N -0.366 122.619 122.820 0.275 0.000 1.930 151 A HA 0.086 4.406 4.320 -0.000 0.000 0.217 151 A C 2.062 179.839 177.584 0.322 0.000 1.175 151 A CA 2.020 54.270 52.037 0.356 0.000 0.627 151 A CB -1.558 17.627 19.000 0.307 0.000 0.815 151 A HN 0.663 nan 8.150 nan 0.000 0.443 152 G N -1.450 107.486 108.800 0.228 0.000 2.440 152 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.218 152 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.218 152 G C 1.548 176.595 174.900 0.246 0.000 1.154 152 G CA 1.329 46.543 45.100 0.191 0.000 0.767 152 G HN 0.636 nan 8.290 nan 0.000 0.552 153 Y N 1.089 121.498 120.300 0.181 0.000 2.200 153 Y HA -0.093 4.457 4.550 -0.000 0.000 0.290 153 Y C 2.789 178.852 175.900 0.272 0.000 1.137 153 Y CA 1.634 59.851 58.100 0.194 0.000 1.163 153 Y CB -0.275 38.279 38.460 0.156 0.000 0.988 153 Y HN 0.033 nan 8.280 nan 0.000 0.518 154 V N 1.213 121.352 119.914 0.375 0.000 2.295 154 V HA -0.321 3.799 4.120 -0.000 0.000 0.246 154 V C 2.557 178.928 176.094 0.461 0.000 1.049 154 V CA 2.357 64.898 62.300 0.402 0.000 1.024 154 V CB -0.785 31.317 31.823 0.465 0.000 0.648 154 V HN 0.390 nan 8.190 nan 0.000 0.447 155 R N -0.235 120.518 120.500 0.421 0.000 2.073 155 R HA -0.173 4.167 4.340 -0.000 0.000 0.234 155 R C 2.381 178.825 176.300 0.240 0.000 1.134 155 R CA 2.194 58.513 56.100 0.366 0.000 0.952 155 R CB -0.537 29.899 30.300 0.226 0.000 0.850 155 R HN 0.511 nan 8.270 nan 0.000 0.433 156 T N 0.654 115.294 114.554 0.143 0.000 2.746 156 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 156 T C 1.294 175.991 174.700 -0.004 0.000 1.039 156 T CA 1.495 63.630 62.100 0.059 0.000 1.142 156 T CB -0.360 68.527 68.868 0.031 0.000 0.866 156 T HN 0.296 nan 8.240 nan 0.000 0.444 157 F N 1.080 120.906 119.950 -0.207 0.000 2.075 157 F HA -0.061 4.466 4.527 -0.000 0.000 0.297 157 F C 1.671 177.386 175.800 -0.141 0.000 1.113 157 F CA 1.253 59.072 58.000 -0.301 0.000 1.218 157 F CB -0.472 38.192 39.000 -0.559 0.000 0.984 157 F HN 0.092 nan 8.300 nan 0.000 0.472 158 F N 0.444 120.459 119.950 0.107 0.000 2.407 158 F HA -0.113 4.414 4.527 -0.000 0.000 0.299 158 F C 2.433 178.236 175.800 0.005 0.000 1.097 158 F CA 0.892 58.944 58.000 0.087 0.000 1.422 158 F CB -0.687 38.451 39.000 0.229 0.000 1.067 158 F HN 0.041 nan 8.300 nan 0.000 0.539 159 Q N 0.101 119.989 119.800 0.146 0.000 2.226 159 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 159 Q C 2.342 178.344 176.000 0.003 0.000 0.975 159 Q CA 0.888 56.742 55.803 0.085 0.000 0.866 159 Q CB -0.376 28.403 28.738 0.067 0.000 0.915 159 Q HN 0.389 nan 8.270 nan 0.000 0.440 160 R N 0.133 120.566 120.500 -0.112 0.000 2.148 160 R HA -0.034 4.306 4.340 -0.000 0.000 0.227 160 R C 1.487 177.705 176.300 -0.135 0.000 1.103 160 R CA 0.611 56.615 56.100 -0.160 0.000 0.983 160 R CB 0.064 30.178 30.300 -0.310 0.000 0.874 160 R HN 0.209 nan 8.270 nan 0.000 0.451 161 L N 0.559 121.797 121.223 0.025 0.000 2.653 161 L HA 0.105 4.445 4.340 -0.000 0.000 0.231 161 L C 0.231 177.361 176.870 0.434 0.000 1.153 161 L CA -0.213 54.849 54.840 0.370 0.000 0.933 161 L CB -0.199 42.101 42.059 0.402 0.000 1.175 161 L HN 0.222 nan 8.230 nan 0.000 0.473 162 N N 0.787 119.644 118.700 0.261 0.000 2.725 162 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 162 N C -0.402 175.219 175.510 0.186 0.000 1.103 162 N CA 0.784 53.962 53.050 0.213 0.000 0.707 162 N CB -0.386 38.276 38.487 0.292 0.000 1.043 162 N HN 0.119 nan 8.380 nan 0.000 0.553 163 M N 0.551 120.276 119.600 0.209 0.000 2.336 163 M HA 0.342 4.822 4.480 -0.000 0.000 0.342 163 M C 0.718 177.104 176.300 0.143 0.000 1.128 163 M CA -0.664 54.736 55.300 0.167 0.000 1.016 163 M CB 1.402 34.123 32.600 0.200 0.000 1.665 163 M HN 0.323 nan 8.290 nan 0.000 0.445 164 N N 1.055 119.814 118.700 0.098 0.000 2.604 164 N HA 0.280 5.020 4.740 -0.000 0.000 0.297 164 N C 0.067 175.648 175.510 0.119 0.000 1.266 164 N CA -0.412 52.700 53.050 0.103 0.000 0.961 164 N CB 0.383 38.917 38.487 0.078 0.000 1.166 164 N HN 0.340 nan 8.380 nan 0.000 0.601 165 D N -0.286 120.205 120.400 0.153 0.000 2.104 165 D HA -0.099 4.541 4.640 -0.000 0.000 0.194 165 D C 1.737 178.149 176.300 0.187 0.000 0.994 165 D CA 1.458 55.617 54.000 0.264 0.000 0.830 165 D CB -0.065 40.862 40.800 0.212 0.000 0.959 165 D HN 0.484 nan 8.370 nan 0.000 0.452 166 R N 0.459 121.034 120.500 0.125 0.000 2.081 166 R HA -0.087 4.253 4.340 -0.000 0.000 0.235 166 R C 2.232 178.617 176.300 0.141 0.000 1.131 166 R CA 1.051 57.229 56.100 0.130 0.000 0.960 166 R CB -0.175 30.195 30.300 0.116 0.000 0.856 166 R HN 0.344 nan 8.270 nan 0.000 0.436 167 E N 0.056 120.297 120.200 0.070 0.000 2.110 167 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 167 E C 2.045 178.570 176.600 -0.124 0.000 0.988 167 E CA 1.259 57.659 56.400 0.001 0.000 0.804 167 E CB 0.026 29.720 29.700 -0.010 0.000 0.745 167 E HN 0.088 nan 8.360 nan 0.000 0.458 168 V N 0.721 120.510 119.914 -0.208 0.000 2.295 168 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 168 V C 2.294 178.197 176.094 -0.319 0.000 1.049 168 V CA 1.385 63.375 62.300 -0.517 0.000 1.024 168 V CB -0.300 31.280 31.823 -0.405 0.000 0.648 168 V HN 0.141 nan 8.190 nan 0.000 0.447 169 V N 0.195 120.046 119.914 -0.105 0.000 2.358 169 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 169 V C 2.662 178.972 176.094 0.359 0.000 1.047 169 V CA 1.878 64.229 62.300 0.085 0.000 1.035 169 V CB -1.092 30.809 31.823 0.130 0.000 0.658 169 V HN 0.551 nan 8.190 nan 0.000 0.452 170 A N -0.163 122.897 122.820 0.401 0.000 1.877 170 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 170 A C 2.222 180.085 177.584 0.464 0.000 1.186 170 A CA 1.749 54.066 52.037 0.468 0.000 0.620 170 A CB -0.564 18.611 19.000 0.291 0.000 0.822 170 A HN 0.480 nan 8.150 nan 0.000 0.443 171 L N -1.847 119.452 121.223 0.126 0.000 2.083 171 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 171 L C 2.719 179.543 176.870 -0.078 0.000 1.083 171 L CA 1.632 56.492 54.840 0.033 0.000 0.752 171 L CB -0.343 41.568 42.059 -0.247 0.000 0.899 171 L HN 0.415 nan 8.230 nan 0.000 0.433 172 M N -0.088 119.353 119.600 -0.266 0.000 2.374 172 M HA -0.064 4.415 4.480 -0.000 0.000 0.264 172 M C 1.918 177.611 176.300 -1.011 0.000 1.067 172 M CA 1.256 56.178 55.300 -0.629 0.000 1.103 172 M CB -0.521 31.794 32.600 -0.475 0.000 1.402 172 M HN 0.163 nan 8.290 nan 0.000 0.444 173 G N -0.885 107.583 108.800 -0.554 0.000 2.498 173 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.219 173 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.219 173 G C 1.500 176.021 174.900 -0.631 0.000 1.119 173 G CA 0.742 45.380 45.100 -0.770 0.000 0.766 173 G HN 0.611 nan 8.290 nan 0.000 0.552 174 A N 0.248 122.811 122.820 -0.428 0.000 2.131 174 A HA -0.076 4.244 4.320 -0.000 0.000 0.220 174 A C 1.826 179.222 177.584 -0.314 0.000 1.158 174 A CA 1.296 53.121 52.037 -0.354 0.000 0.665 174 A CB -0.707 18.234 19.000 -0.098 0.000 0.795 174 A HN 0.628 nan 8.150 nan 0.000 0.460 175 H N -0.925 117.816 119.070 -0.550 0.000 2.561 175 H HA 0.082 4.638 4.556 -0.000 0.000 0.278 175 H C 2.273 177.431 175.328 -0.283 0.000 1.014 175 H CA 0.097 55.892 56.048 -0.422 0.000 1.211 175 H CB 0.106 29.567 29.762 -0.500 0.000 1.365 175 H HN 0.609 nan 8.280 nan 0.000 0.594 176 A N 1.148 123.822 122.820 -0.243 0.000 1.978 176 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 176 A C 1.102 178.601 177.584 -0.142 0.000 1.170 176 A CA 0.721 52.649 52.037 -0.182 0.000 0.636 176 A CB -0.415 18.407 19.000 -0.296 0.000 0.810 176 A HN 0.231 nan 8.150 nan 0.000 0.448 177 L N -0.908 120.235 121.223 -0.133 0.000 2.349 177 L HA 0.512 4.851 4.340 -0.000 0.000 0.275 177 L C 1.343 178.200 176.870 -0.021 0.000 1.115 177 L CA 0.281 55.086 54.840 -0.059 0.000 0.820 177 L CB 0.359 42.405 42.059 -0.022 0.000 1.135 177 L HN 0.636 nan 8.230 nan 0.000 0.445 178 G N 2.910 111.703 108.800 -0.010 0.000 2.528 178 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.262 178 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.262 178 G C -0.642 174.220 174.900 -0.063 0.000 1.200 178 G CA 0.316 45.415 45.100 -0.002 0.000 0.951 178 G HN 0.997 nan 8.290 nan 0.000 0.566 179 K N -1.880 118.442 120.400 -0.131 0.000 2.658 179 K HA 0.644 4.964 4.320 -0.000 0.000 0.293 179 K C -0.426 175.920 176.600 -0.423 0.000 1.026 179 K CA -0.219 55.915 56.287 -0.254 0.000 0.871 179 K CB 0.926 33.263 32.500 -0.272 0.000 1.524 179 K HN 1.404 nan 8.250 nan 0.000 0.400 180 T N -0.682 113.677 114.554 -0.324 0.000 2.889 180 T HA 0.405 4.755 4.350 -0.000 0.000 0.291 180 T C -0.672 173.812 174.700 -0.359 0.000 0.995 180 T CA -0.404 61.553 62.100 -0.238 0.000 1.092 180 T CB 0.292 69.147 68.868 -0.023 0.000 0.954 180 T HN 0.602 nan 8.240 nan 0.000 0.506 181 H N 1.773 120.875 119.070 0.054 0.000 2.589 181 H HA 0.410 4.966 4.556 -0.000 0.000 0.335 181 H C 0.654 176.006 175.328 0.040 0.000 1.019 181 H CA -0.926 55.142 56.048 0.034 0.000 1.213 181 H CB 1.571 31.342 29.762 0.015 0.000 1.472 181 H HN 0.460 nan 8.280 nan 0.000 0.508 182 L N 2.522 123.819 121.223 0.123 0.000 2.043 182 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 182 L C 1.554 178.452 176.870 0.047 0.000 1.075 182 L CA 1.902 56.775 54.840 0.055 0.000 0.752 182 L CB -0.137 41.935 42.059 0.022 0.000 0.891 182 L HN 0.554 nan 8.230 nan 0.000 0.432 183 K N -0.999 119.439 120.400 0.062 0.000 2.288 183 K HA -0.057 4.263 4.320 -0.000 0.000 0.201 183 K C 1.730 178.362 176.600 0.053 0.000 1.048 183 K CA 0.964 57.276 56.287 0.041 0.000 0.956 183 K CB -0.129 32.387 32.500 0.028 0.000 0.746 183 K HN 0.324 nan 8.250 nan 0.000 0.461 184 N N -0.050 118.703 118.700 0.089 0.000 2.197 184 N HA -0.068 4.672 4.740 -0.000 0.000 0.184 184 N C 1.547 177.125 175.510 0.114 0.000 1.030 184 N CA 1.692 54.803 53.050 0.102 0.000 0.851 184 N CB 0.133 38.705 38.487 0.141 0.000 1.003 184 N HN 0.182 nan 8.380 nan 0.000 0.430 185 S N -2.412 113.370 115.700 0.136 0.000 2.632 185 S HA 0.376 4.846 4.470 -0.000 0.000 0.237 185 S C 1.196 175.837 174.600 0.068 0.000 1.037 185 S CA 0.373 58.674 58.200 0.168 0.000 1.009 185 S CB 0.953 64.324 63.200 0.285 0.000 0.974 185 S HN 0.376 nan 8.310 nan 0.000 0.544 186 G N 0.531 109.306 108.800 -0.041 0.000 2.143 186 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.248 186 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.248 186 G C -0.303 174.268 174.900 -0.548 0.000 0.991 186 G CA 0.479 45.423 45.100 -0.259 0.000 0.689 186 G HN 0.578 nan 8.290 nan 0.000 0.522 187 Y N -0.730 119.581 120.300 0.019 0.000 2.499 187 Y HA 0.712 5.261 4.550 -0.000 0.000 0.347 187 Y C 0.099 175.997 175.900 -0.004 0.000 0.987 187 Y CA -1.307 56.795 58.100 0.003 0.000 1.044 187 Y CB 2.234 40.693 38.460 -0.002 0.000 1.245 187 Y HN 0.129 nan 8.280 nan 0.000 0.461 188 E N 0.965 121.246 120.200 0.135 0.000 2.263 188 E HA 0.706 5.056 4.350 -0.000 0.000 0.268 188 E C -0.608 176.024 176.600 0.054 0.000 0.884 188 E CA -0.325 56.111 56.400 0.061 0.000 0.766 188 E CB 1.719 31.443 29.700 0.041 0.000 1.196 188 E HN 0.907 nan 8.360 nan 0.000 0.416 189 G N 3.815 112.617 108.800 0.003 0.000 2.362 189 G HA2 0.099 4.059 3.960 -0.000 0.000 0.656 189 G HA3 0.099 4.059 3.960 -0.000 0.000 0.656 189 G C -3.051 171.849 174.900 -0.001 0.000 1.376 189 G CA -0.513 44.603 45.100 0.027 0.000 0.971 189 G HN 0.475 nan 8.290 nan 0.000 0.636 190 P HA 0.422 nan 4.420 nan 0.000 0.278 190 P C 0.858 178.196 177.300 0.063 0.000 1.266 190 P CA 0.445 63.554 63.100 0.015 0.000 0.807 190 P CB 1.502 33.221 31.700 0.031 0.000 1.094 191 G N -1.052 107.736 108.800 -0.020 0.000 2.986 191 G HA2 0.458 4.418 3.960 -0.000 0.000 0.213 191 G HA3 0.458 4.418 3.960 -0.000 0.000 0.213 191 G C 0.535 175.259 174.900 -0.293 0.000 1.156 191 G CA 0.315 45.412 45.100 -0.004 0.000 0.763 191 G HN 0.860 nan 8.290 nan 0.000 0.547 192 G N -2.052 106.378 108.800 -0.617 0.000 2.428 192 G HA2 0.509 4.469 3.960 -0.000 0.000 0.304 192 G HA3 0.509 4.469 3.960 -0.000 0.000 0.304 192 G C 0.410 174.920 174.900 -0.650 0.000 1.303 192 G CA 0.146 44.505 45.100 -1.235 0.000 0.825 192 G HN 0.525 nan 8.290 nan 0.000 0.484 193 A N -0.962 121.621 122.820 -0.394 0.000 2.021 193 A HA 0.609 4.929 4.320 -0.000 0.000 0.216 193 A C 1.645 179.202 177.584 -0.046 0.000 1.163 193 A CA 1.985 53.989 52.037 -0.055 0.000 0.676 193 A CB -0.259 18.780 19.000 0.065 0.000 0.818 193 A HN 2.006 nan 8.150 nan 0.000 0.453 194 A N 1.499 124.273 122.820 -0.077 0.000 2.880 194 A HA 0.446 4.765 4.320 -0.000 0.000 0.328 194 A C 0.354 177.907 177.584 -0.053 0.000 1.440 194 A CA -0.277 51.738 52.037 -0.038 0.000 1.068 194 A CB -0.511 18.475 19.000 -0.024 0.000 1.163 194 A HN 0.485 nan 8.150 nan 0.000 0.510 195 N N 0.815 119.493 118.700 -0.037 0.000 2.204 195 N HA -0.024 4.716 4.740 -0.000 0.000 0.219 195 N C -0.119 175.387 175.510 -0.006 0.000 1.151 195 N CA 0.082 53.108 53.050 -0.040 0.000 0.867 195 N CB 0.099 38.556 38.487 -0.049 0.000 1.043 195 N HN 0.497 nan 8.380 nan 0.000 0.516 196 N N -0.691 118.019 118.700 0.016 0.000 2.305 196 N HA 0.128 4.868 4.740 -0.000 0.000 0.248 196 N C -1.349 174.194 175.510 0.056 0.000 1.290 196 N CA -0.447 52.626 53.050 0.039 0.000 0.873 196 N CB 0.375 38.893 38.487 0.052 0.000 1.261 196 N HN -0.086 nan 8.380 nan 0.000 0.504 197 V N 1.176 121.122 119.914 0.053 0.000 2.588 197 V HA 0.435 4.555 4.120 -0.000 0.000 0.304 197 V C -1.000 175.157 176.094 0.106 0.000 1.042 197 V CA -0.977 61.378 62.300 0.091 0.000 0.877 197 V CB 1.758 33.631 31.823 0.083 0.000 0.996 197 V HN 0.182 nan 8.190 nan 0.000 0.425 198 F N 5.214 125.166 119.950 0.003 0.000 2.438 198 F HA 0.560 5.087 4.527 -0.000 0.000 0.360 198 F C 0.714 176.631 175.800 0.195 0.000 1.118 198 F CA 0.450 58.438 58.000 -0.020 0.000 1.164 198 F CB 0.624 39.496 39.000 -0.213 0.000 1.131 198 F HN 0.725 nan 8.300 nan 0.000 0.527 199 T N 1.285 115.850 114.554 0.017 0.000 2.696 199 T HA 0.240 4.590 4.350 -0.000 0.000 0.291 199 T C 0.167 174.963 174.700 0.161 0.000 1.095 199 T CA -0.853 61.392 62.100 0.241 0.000 1.026 199 T CB 1.243 70.177 68.868 0.111 0.000 1.390 199 T HN 0.452 nan 8.240 nan 0.000 0.513 200 N N -0.342 118.469 118.700 0.185 0.000 2.362 200 N HA 0.034 4.774 4.740 -0.000 0.000 0.211 200 N C 0.875 176.392 175.510 0.011 0.000 1.170 200 N CA 0.050 53.128 53.050 0.048 0.000 0.828 200 N CB -0.117 38.441 38.487 0.120 0.000 1.034 200 N HN 0.855 nan 8.380 nan 0.000 0.475 201 E N 0.055 120.226 120.200 -0.049 0.000 2.118 201 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 201 E C 1.149 177.695 176.600 -0.091 0.000 0.992 201 E CA 0.816 57.180 56.400 -0.061 0.000 0.804 201 E CB -0.230 29.418 29.700 -0.086 0.000 0.741 201 E HN 0.383 nan 8.360 nan 0.000 0.458 202 F N 0.301 120.021 119.950 -0.383 0.000 2.091 202 F HA -0.303 4.224 4.527 -0.000 0.000 0.299 202 F C 1.523 177.063 175.800 -0.432 0.000 1.103 202 F CA 1.888 59.594 58.000 -0.491 0.000 1.228 202 F CB -0.474 38.051 39.000 -0.791 0.000 0.984 202 F HN 0.113 nan 8.300 nan 0.000 0.477 203 Y N -0.097 120.113 120.300 -0.151 0.000 2.220 203 Y HA -0.109 4.441 4.550 -0.000 0.000 0.291 203 Y C 2.397 178.209 175.900 -0.146 0.000 1.129 203 Y CA 1.283 59.264 58.100 -0.197 0.000 1.161 203 Y CB -1.036 37.368 38.460 -0.092 0.000 0.997 203 Y HN 0.043 nan 8.280 nan 0.000 0.522 204 L N -0.115 121.137 121.223 0.048 0.000 2.017 204 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 204 L C 2.023 178.909 176.870 0.027 0.000 1.073 204 L CA 1.406 56.265 54.840 0.032 0.000 0.745 204 L CB -0.543 41.533 42.059 0.028 0.000 0.894 204 L HN 0.228 nan 8.230 nan 0.000 0.432 205 N N -0.032 118.680 118.700 0.020 0.000 2.188 205 N HA -0.138 4.602 4.740 -0.000 0.000 0.184 205 N C 1.927 177.627 175.510 0.315 0.000 1.018 205 N CA 1.042 54.181 53.050 0.148 0.000 0.858 205 N CB -0.376 38.213 38.487 0.169 0.000 0.989 205 N HN 0.228 nan 8.380 nan 0.000 0.426 206 L N 0.357 121.602 121.223 0.037 0.000 2.043 206 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 206 L C 1.982 178.945 176.870 0.156 0.000 1.075 206 L CA 1.120 55.944 54.840 -0.026 0.000 0.752 206 L CB -0.274 41.518 42.059 -0.446 0.000 0.891 206 L HN 0.180 nan 8.230 nan 0.000 0.432 207 L N -1.380 119.878 121.223 0.057 0.000 2.209 207 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 207 L C 1.696 178.598 176.870 0.053 0.000 1.094 207 L CA 1.168 56.030 54.840 0.037 0.000 0.790 207 L CB -0.266 41.795 42.059 0.004 0.000 0.932 207 L HN 0.340 nan 8.230 nan 0.000 0.447 208 N N -1.658 117.074 118.700 0.052 0.000 2.368 208 N HA 0.025 4.765 4.740 -0.000 0.000 0.178 208 N C 0.170 175.632 175.510 -0.079 0.000 1.076 208 N CA -0.223 52.824 53.050 -0.004 0.000 0.889 208 N CB 0.741 39.228 38.487 0.000 0.000 1.040 208 N HN 0.141 nan 8.380 nan 0.000 0.463 209 E N 1.220 121.323 120.200 -0.162 0.000 2.349 209 E HA 0.036 4.386 4.350 -0.000 0.000 0.262 209 E C -0.864 175.372 176.600 -0.607 0.000 1.088 209 E CA 0.044 56.132 56.400 -0.520 0.000 0.899 209 E CB 0.890 29.951 29.700 -1.065 0.000 1.044 209 E HN 0.039 nan 8.360 nan 0.000 0.420 210 D N 1.892 121.968 120.400 -0.540 0.000 2.456 210 D HA 0.126 4.766 4.640 -0.000 0.000 0.219 210 D C -1.102 175.033 176.300 -0.275 0.000 1.126 210 D CA -0.449 53.381 54.000 -0.283 0.000 0.890 210 D CB -0.099 40.607 40.800 -0.157 0.000 1.025 210 D HN 0.191 nan 8.370 nan 0.000 0.511 211 W N 3.330 124.722 121.300 0.153 0.000 2.316 211 W HA 0.342 5.002 4.660 0.000 0.000 0.311 211 W C 0.797 177.504 176.519 0.314 0.000 1.217 211 W CA -0.984 56.507 57.345 0.243 0.000 1.199 211 W CB 0.998 30.637 29.460 0.299 0.000 1.202 211 W HN 0.119 nan 8.180 nan 0.000 0.528 212 K N 3.549 124.237 120.400 0.479 0.000 2.323 212 K HA 0.413 4.733 4.320 -0.000 0.000 0.259 212 K C -1.119 175.502 176.600 0.035 0.000 0.947 212 K CA -1.043 55.392 56.287 0.248 0.000 0.819 212 K CB 1.040 33.603 32.500 0.105 0.000 1.109 212 K HN 0.442 nan 8.250 nan 0.000 0.429 213 L N 4.351 125.354 121.223 -0.368 0.000 2.418 213 L HA 0.195 4.535 4.340 -0.000 0.000 0.274 213 L C -0.868 175.753 176.870 -0.415 0.000 1.135 213 L CA 1.100 55.409 54.840 -0.885 0.000 0.870 213 L CB 0.176 41.477 42.059 -1.263 0.000 1.154 213 L HN 0.713 nan 8.230 nan 0.000 0.462 214 E N 4.291 124.290 120.200 -0.336 0.000 2.393 214 E HA 0.401 4.751 4.350 -0.000 0.000 0.273 214 E C -1.121 175.384 176.600 -0.159 0.000 0.918 214 E CA -1.146 55.145 56.400 -0.182 0.000 0.773 214 E CB 1.915 31.560 29.700 -0.092 0.000 1.275 214 E HN 0.429 nan 8.360 nan 0.000 0.451 215 K N 1.654 121.987 120.400 -0.112 0.000 2.144 215 K HA 0.200 4.520 4.320 -0.000 0.000 0.270 215 K C -0.010 176.553 176.600 -0.062 0.000 1.005 215 K CA -0.435 55.799 56.287 -0.088 0.000 0.932 215 K CB 0.602 33.055 32.500 -0.077 0.000 1.021 215 K HN 0.471 nan 8.250 nan 0.000 0.462 216 N N 0.166 118.829 118.700 -0.060 0.000 2.538 216 N HA 0.083 4.823 4.740 -0.000 0.000 0.292 216 N C 0.058 175.535 175.510 -0.055 0.000 1.262 216 N CA -0.426 52.596 53.050 -0.046 0.000 0.976 216 N CB 0.319 38.783 38.487 -0.039 0.000 1.161 216 N HN 0.301 nan 8.380 nan 0.000 0.598 217 D N -1.215 119.158 120.400 -0.045 0.000 2.348 217 D HA 0.030 4.670 4.640 -0.000 0.000 0.216 217 D C 0.773 177.040 176.300 -0.055 0.000 0.970 217 D CA 0.788 54.763 54.000 -0.041 0.000 0.889 217 D CB -0.296 40.488 40.800 -0.026 0.000 0.912 217 D HN 0.669 nan 8.370 nan 0.000 0.524 218 A N 0.155 122.925 122.820 -0.083 0.000 2.345 218 A HA 0.118 4.438 4.320 -0.000 0.000 0.225 218 A C 0.601 178.119 177.584 -0.110 0.000 1.243 218 A CA -0.141 51.834 52.037 -0.102 0.000 0.875 218 A CB -0.347 18.564 19.000 -0.148 0.000 0.929 218 A HN 0.113 nan 8.150 nan 0.000 0.502 219 N N -0.322 118.321 118.700 -0.094 0.000 2.782 219 N HA -0.132 4.608 4.740 -0.000 0.000 0.251 219 N C -0.939 174.511 175.510 -0.101 0.000 1.101 219 N CA 1.020 54.020 53.050 -0.084 0.000 0.764 219 N CB -1.176 37.272 38.487 -0.065 0.000 1.122 219 N HN 0.601 nan 8.380 nan 0.000 0.561 220 N N 0.948 119.562 118.700 -0.144 0.000 2.443 220 N HA 0.200 4.940 4.740 -0.000 0.000 0.295 220 N C -0.273 175.191 175.510 -0.076 0.000 1.076 220 N CA -0.266 52.696 53.050 -0.147 0.000 0.919 220 N CB 0.860 39.129 38.487 -0.363 0.000 1.176 220 N HN 0.197 nan 8.380 nan 0.000 0.487 221 E N 1.062 121.244 120.200 -0.030 0.000 2.338 221 E HA 0.080 4.430 4.350 -0.000 0.000 0.272 221 E C -0.111 176.502 176.600 0.021 0.000 1.029 221 E CA -0.061 56.297 56.400 -0.071 0.000 0.872 221 E CB 0.724 30.344 29.700 -0.134 0.000 1.015 221 E HN 0.501 nan 8.360 nan 0.000 0.417 222 Q N 1.810 121.560 119.800 -0.082 0.000 2.511 222 Q HA 0.408 4.748 4.340 -0.000 0.000 0.289 222 Q C -1.480 174.399 176.000 -0.202 0.000 1.021 222 Q CA -1.054 54.730 55.803 -0.032 0.000 0.785 222 Q CB 1.006 29.846 28.738 0.169 0.000 1.472 222 Q HN 0.394 nan 8.270 nan 0.000 0.411 223 W N 1.257 122.515 121.300 -0.069 0.000 2.335 223 W HA 0.463 5.123 4.660 -0.000 0.000 0.307 223 W C -0.838 175.805 176.519 0.206 0.000 1.117 223 W CA 0.129 57.443 57.345 -0.051 0.000 1.228 223 W CB 1.382 30.643 29.460 -0.333 0.000 1.240 223 W HN 0.460 nan 8.180 nan 0.000 0.468 224 D N 1.438 122.134 120.400 0.493 0.000 2.481 224 D HA 0.392 5.032 4.640 -0.000 0.000 0.244 224 D C -0.444 176.080 176.300 0.373 0.000 1.057 224 D CA -0.468 53.783 54.000 0.418 0.000 0.848 224 D CB 2.011 42.919 40.800 0.181 0.000 1.388 224 D HN 0.220 nan 8.370 nan 0.000 0.475 225 S N 0.411 116.214 115.700 0.171 0.000 2.621 225 S HA 0.325 4.795 4.470 -0.000 0.000 0.302 225 S C 1.048 175.538 174.600 -0.183 0.000 1.093 225 S CA -0.729 57.349 58.200 -0.203 0.000 1.017 225 S CB 2.240 65.036 63.200 -0.673 0.000 1.077 225 S HN 0.295 nan 8.310 nan 0.000 0.517 226 K N 1.432 121.706 120.400 -0.211 0.000 2.280 226 K HA -0.085 4.235 4.320 -0.000 0.000 0.202 226 K C 1.445 177.898 176.600 -0.246 0.000 1.047 226 K CA 2.027 58.207 56.287 -0.179 0.000 0.942 226 K CB -1.659 30.751 32.500 -0.150 0.000 0.739 226 K HN 0.698 nan 8.250 nan 0.000 0.457 227 S N -0.627 114.829 115.700 -0.407 0.000 2.603 227 S HA 0.252 4.722 4.470 -0.000 0.000 0.220 227 S C 1.265 175.470 174.600 -0.658 0.000 0.967 227 S CA 0.132 57.984 58.200 -0.580 0.000 0.920 227 S CB -0.445 62.261 63.200 -0.825 0.000 0.773 227 S HN 0.653 nan 8.310 nan 0.000 0.529 228 G N 0.185 108.744 108.800 -0.402 0.000 2.130 228 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 228 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 228 G C -0.313 174.622 174.900 0.058 0.000 0.999 228 G CA -0.013 44.995 45.100 -0.154 0.000 0.686 228 G HN 0.449 nan 8.290 nan 0.000 0.515 229 Y N -0.624 119.730 120.300 0.090 0.000 2.534 229 Y HA 0.879 5.429 4.550 -0.000 0.000 0.329 229 Y C 0.500 176.620 175.900 0.368 0.000 1.154 229 Y CA -1.629 56.591 58.100 0.199 0.000 1.192 229 Y CB 1.425 40.029 38.460 0.241 0.000 1.275 229 Y HN 0.433 nan 8.280 nan 0.000 0.491 230 M N 0.770 120.681 119.600 0.519 0.000 2.618 230 M HA 0.810 5.290 4.480 -0.000 0.000 0.281 230 M C -1.659 174.699 176.300 0.097 0.000 1.267 230 M CA -0.825 54.704 55.300 0.382 0.000 0.845 230 M CB 2.385 35.118 32.600 0.222 0.000 1.732 230 M HN 0.280 nan 8.290 nan 0.000 0.461 231 M N 2.329 121.871 119.600 -0.097 0.000 2.393 231 M HA 0.555 5.035 4.480 -0.000 0.000 0.299 231 M C -1.213 175.068 176.300 -0.032 0.000 1.103 231 M CA -0.506 54.668 55.300 -0.210 0.000 0.910 231 M CB 2.042 34.281 32.600 -0.602 0.000 1.659 231 M HN 0.893 nan 8.290 nan 0.000 0.445 232 L N 3.664 124.841 121.223 -0.076 0.000 2.473 232 L HA 0.110 4.450 4.340 -0.000 0.000 0.268 232 L C -1.220 175.682 176.870 0.053 0.000 1.215 232 L CA -1.247 53.505 54.840 -0.147 0.000 0.823 232 L CB 0.031 41.928 42.059 -0.270 0.000 1.099 232 L HN 0.454 nan 8.230 nan 0.000 0.483 233 P HA -0.179 nan 4.420 nan 0.000 0.216 233 P C 1.441 178.851 177.300 0.182 0.000 1.150 233 P CA 1.601 64.842 63.100 0.235 0.000 0.843 233 P CB -0.047 31.757 31.700 0.174 0.000 0.787 234 T N -4.003 110.618 114.554 0.111 0.000 2.867 234 T HA -0.119 4.231 4.350 -0.000 0.000 0.268 234 T C 1.418 176.209 174.700 0.152 0.000 1.057 234 T CA 1.168 63.361 62.100 0.154 0.000 1.136 234 T CB -0.953 68.016 68.868 0.169 0.000 0.874 234 T HN 0.025 nan 8.240 nan 0.000 0.466 235 D N 0.532 121.019 120.400 0.144 0.000 2.084 235 D HA -0.072 4.568 4.640 -0.000 0.000 0.194 235 D C 1.682 177.969 176.300 -0.023 0.000 0.990 235 D CA 1.155 55.261 54.000 0.176 0.000 0.826 235 D CB -0.572 40.330 40.800 0.169 0.000 0.971 235 D HN 0.472 nan 8.370 nan 0.000 0.453 236 Y N 1.709 121.869 120.300 -0.232 0.000 2.352 236 Y HA -0.205 4.345 4.550 -0.000 0.000 0.292 236 Y C 2.427 178.176 175.900 -0.252 0.000 1.136 236 Y CA 1.484 59.313 58.100 -0.451 0.000 1.227 236 Y CB -0.155 37.828 38.460 -0.796 0.000 0.991 236 Y HN -0.035 nan 8.280 nan 0.000 0.545 237 S N -0.273 115.442 115.700 0.025 0.000 2.419 237 S HA -0.208 4.262 4.470 -0.000 0.000 0.235 237 S C 1.823 176.462 174.600 0.065 0.000 1.019 237 S CA 1.469 59.717 58.200 0.080 0.000 0.982 237 S CB -0.981 62.339 63.200 0.200 0.000 0.789 237 S HN 0.555 nan 8.310 nan 0.000 0.490 238 L N 1.034 122.248 121.223 -0.015 0.000 2.362 238 L HA 0.123 4.463 4.340 -0.000 0.000 0.219 238 L C 2.288 179.131 176.870 -0.046 0.000 1.134 238 L CA 1.142 55.985 54.840 0.006 0.000 0.807 238 L CB -0.692 41.328 42.059 -0.064 0.000 0.927 238 L HN 0.551 nan 8.230 nan 0.000 0.447 239 I N -4.779 115.642 120.570 -0.249 0.000 3.956 239 I HA 0.022 4.192 4.170 -0.000 0.000 0.333 239 I C 1.878 177.840 176.117 -0.259 0.000 1.302 239 I CA 0.222 61.350 61.300 -0.288 0.000 1.122 239 I CB 0.037 37.775 38.000 -0.437 0.000 1.013 239 I HN 0.134 nan 8.210 nan 0.000 0.405 240 Q N 1.190 120.869 119.800 -0.202 0.000 2.204 240 Q HA 0.066 4.406 4.340 -0.000 0.000 0.198 240 Q C 0.579 176.569 176.000 -0.017 0.000 0.946 240 Q CA 0.551 56.298 55.803 -0.093 0.000 0.859 240 Q CB 0.245 28.971 28.738 -0.020 0.000 0.946 240 Q HN 0.528 nan 8.270 nan 0.000 0.474 241 D N 0.766 121.183 120.400 0.029 0.000 2.312 241 D HA 0.039 4.679 4.640 -0.000 0.000 0.252 241 D C -1.968 174.318 176.300 -0.024 0.000 1.150 241 D CA -1.976 52.023 54.000 -0.003 0.000 0.870 241 D CB 1.649 42.432 40.800 -0.028 0.000 1.153 241 D HN -0.115 nan 8.370 nan 0.000 0.457 242 P HA -0.105 nan 4.420 nan 0.000 0.217 242 P C 1.010 178.284 177.300 -0.043 0.000 1.150 242 P CA 1.215 64.291 63.100 -0.041 0.000 0.832 242 P CB 0.370 32.046 31.700 -0.040 0.000 0.787 243 K N -1.637 118.711 120.400 -0.086 0.000 2.057 243 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 243 K C 2.176 178.788 176.600 0.019 0.000 1.050 243 K CA 1.284 57.524 56.287 -0.078 0.000 0.935 243 K CB -0.566 31.839 32.500 -0.158 0.000 0.715 243 K HN 0.119 nan 8.250 nan 0.000 0.439 244 Y N 0.999 121.287 120.300 -0.021 0.000 2.181 244 Y HA -0.176 4.373 4.550 -0.000 0.000 0.288 244 Y C 2.172 178.042 175.900 -0.050 0.000 1.146 244 Y CA 0.416 58.504 58.100 -0.020 0.000 1.164 244 Y CB -0.795 37.669 38.460 0.006 0.000 0.982 244 Y HN 0.010 nan 8.280 nan 0.000 0.515 245 L N -0.669 120.610 121.223 0.092 0.000 2.046 245 L HA -0.180 4.159 4.340 -0.000 0.000 0.208 245 L C 2.583 179.435 176.870 -0.031 0.000 1.077 245 L CA 2.074 56.915 54.840 0.000 0.000 0.747 245 L CB -1.129 40.910 42.059 -0.033 0.000 0.896 245 L HN 0.159 nan 8.230 nan 0.000 0.432 246 S N -0.625 115.056 115.700 -0.033 0.000 2.370 246 S HA -0.191 4.279 4.470 -0.000 0.000 0.226 246 S C 1.993 176.518 174.600 -0.125 0.000 1.033 246 S CA 1.887 60.047 58.200 -0.066 0.000 1.011 246 S CB -0.468 62.699 63.200 -0.054 0.000 0.852 246 S HN 0.530 nan 8.310 nan 0.000 0.457 247 I N 0.755 121.242 120.570 -0.137 0.000 2.353 247 I HA -0.080 4.090 4.170 -0.000 0.000 0.248 247 I C 2.257 178.108 176.117 -0.443 0.000 1.119 247 I CA 0.600 61.704 61.300 -0.327 0.000 1.417 247 I CB -0.378 37.477 38.000 -0.242 0.000 1.078 247 I HN 0.165 nan 8.210 nan 0.000 0.421 248 V N 1.205 121.016 119.914 -0.172 0.000 2.287 248 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 248 V C 2.467 178.493 176.094 -0.113 0.000 1.053 248 V CA 1.946 64.216 62.300 -0.050 0.000 1.027 248 V CB -0.716 31.144 31.823 0.062 0.000 0.646 248 V HN 0.397 nan 8.190 nan 0.000 0.447 249 K N -0.268 120.066 120.400 -0.110 0.000 2.057 249 K HA -0.250 4.070 4.320 -0.000 0.000 0.207 249 K C 2.242 178.772 176.600 -0.115 0.000 1.049 249 K CA 1.809 58.044 56.287 -0.087 0.000 0.931 249 K CB -0.224 32.233 32.500 -0.070 0.000 0.714 249 K HN 0.562 nan 8.250 nan 0.000 0.440 250 E N 0.039 120.121 120.200 -0.198 0.000 2.058 250 E HA -0.221 4.128 4.350 -0.000 0.000 0.194 250 E C 1.667 178.202 176.600 -0.109 0.000 0.997 250 E CA 1.391 57.675 56.400 -0.194 0.000 0.801 250 E CB 0.011 29.521 29.700 -0.317 0.000 0.746 250 E HN 0.307 nan 8.360 nan 0.000 0.450 251 Y N -0.234 119.914 120.300 -0.255 0.000 2.337 251 Y HA 0.098 4.648 4.550 -0.000 0.000 0.293 251 Y C 2.209 177.948 175.900 -0.268 0.000 1.123 251 Y CA 0.540 58.411 58.100 -0.381 0.000 1.201 251 Y CB -0.942 36.884 38.460 -1.057 0.000 1.011 251 Y HN 0.141 nan 8.280 nan 0.000 0.545 252 A N 0.337 123.137 122.820 -0.033 0.000 1.933 252 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 252 A C 2.113 179.713 177.584 0.026 0.000 1.175 252 A CA 2.099 54.163 52.037 0.045 0.000 0.628 252 A CB -0.851 18.178 19.000 0.048 0.000 0.814 252 A HN 0.494 nan 8.150 nan 0.000 0.444 253 N N -0.946 117.759 118.700 0.009 0.000 2.416 253 N HA -0.048 4.692 4.740 -0.000 0.000 0.177 253 N C -0.584 174.938 175.510 0.020 0.000 1.036 253 N CA 0.977 54.032 53.050 0.008 0.000 0.901 253 N CB 0.211 38.695 38.487 -0.005 0.000 0.976 253 N HN 0.250 nan 8.380 nan 0.000 0.444 254 D N -0.278 120.149 120.400 0.045 0.000 2.328 254 D HA 0.071 4.711 4.640 -0.000 0.000 0.243 254 D C 0.099 176.448 176.300 0.081 0.000 1.324 254 D CA -0.261 53.770 54.000 0.053 0.000 0.966 254 D CB 0.786 41.626 40.800 0.067 0.000 1.324 254 D HN 0.149 nan 8.370 nan 0.000 0.549 255 Q N 2.024 121.832 119.800 0.013 0.000 2.170 255 Q HA -0.149 4.191 4.340 -0.000 0.000 0.203 255 Q C 0.512 176.419 176.000 -0.154 0.000 0.976 255 Q CA 1.393 57.176 55.803 -0.033 0.000 0.858 255 Q CB 0.391 29.013 28.738 -0.193 0.000 0.907 255 Q HN 0.400 nan 8.270 nan 0.000 0.433 256 D N 0.331 120.648 120.400 -0.139 0.000 2.117 256 D HA -0.167 4.473 4.640 -0.000 0.000 0.197 256 D C 1.736 178.056 176.300 0.033 0.000 0.987 256 D CA 1.211 55.151 54.000 -0.100 0.000 0.829 256 D CB -0.077 40.696 40.800 -0.045 0.000 0.961 256 D HN 0.094 nan 8.370 nan 0.000 0.460 257 K N 0.502 120.954 120.400 0.087 0.000 2.057 257 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 257 K C 1.929 178.618 176.600 0.148 0.000 1.049 257 K CA 0.652 57.032 56.287 0.155 0.000 0.931 257 K CB -0.788 31.845 32.500 0.221 0.000 0.714 257 K HN 0.084 nan 8.250 nan 0.000 0.440 258 F N 0.353 120.257 119.950 -0.077 0.000 2.095 258 F HA -0.161 4.365 4.527 -0.000 0.000 0.298 258 F C 1.639 177.475 175.800 0.061 0.000 1.104 258 F CA 1.426 59.171 58.000 -0.425 0.000 1.232 258 F CB -0.703 38.086 39.000 -0.352 0.000 0.987 258 F HN -0.004 nan 8.300 nan 0.000 0.475 259 F N 1.286 120.984 119.950 -0.421 0.000 2.095 259 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 259 F C 2.644 178.324 175.800 -0.200 0.000 1.104 259 F CA 1.821 59.594 58.000 -0.377 0.000 1.232 259 F CB -1.371 37.538 39.000 -0.152 0.000 0.987 259 F HN 0.055 nan 8.300 nan 0.000 0.475 260 K N 0.102 120.558 120.400 0.094 0.000 2.026 260 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 260 K C 1.689 178.299 176.600 0.017 0.000 1.048 260 K CA 1.957 58.275 56.287 0.051 0.000 0.929 260 K CB -0.159 32.380 32.500 0.065 0.000 0.713 260 K HN 0.066 nan 8.250 nan 0.000 0.439 261 D N -0.234 120.176 120.400 0.017 0.000 2.149 261 D HA -0.118 4.522 4.640 -0.000 0.000 0.201 261 D C 1.570 177.864 176.300 -0.011 0.000 0.972 261 D CA 0.660 54.682 54.000 0.036 0.000 0.835 261 D CB -0.186 40.694 40.800 0.134 0.000 0.966 261 D HN 0.193 nan 8.370 nan 0.000 0.476 262 F N 1.263 121.089 119.950 -0.208 0.000 2.102 262 F HA -0.204 4.323 4.527 0.000 0.000 0.298 262 F C 2.519 178.243 175.800 -0.127 0.000 1.105 262 F CA 1.491 59.369 58.000 -0.204 0.000 1.239 262 F CB -0.285 38.433 39.000 -0.470 0.000 0.991 262 F HN -0.141 nan 8.300 nan 0.000 0.474 263 S N -0.054 115.603 115.700 -0.071 0.000 2.370 263 S HA -0.210 4.260 4.470 -0.000 0.000 0.226 263 S C 2.144 176.684 174.600 -0.099 0.000 1.033 263 S CA 1.541 59.697 58.200 -0.075 0.000 1.011 263 S CB -0.310 62.867 63.200 -0.038 0.000 0.852 263 S HN 0.256 nan 8.310 nan 0.000 0.457 264 K N 1.726 122.075 120.400 -0.084 0.000 2.026 264 K HA 0.203 4.522 4.320 -0.000 0.000 0.208 264 K C 2.279 178.820 176.600 -0.098 0.000 1.048 264 K CA 1.441 57.685 56.287 -0.073 0.000 0.929 264 K CB -1.231 31.244 32.500 -0.041 0.000 0.713 264 K HN 0.411 nan 8.250 nan 0.000 0.439 265 A N -0.265 122.474 122.820 -0.135 0.000 1.930 265 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 265 A C 2.165 179.657 177.584 -0.152 0.000 1.175 265 A CA 1.209 53.164 52.037 -0.137 0.000 0.627 265 A CB -0.670 18.243 19.000 -0.145 0.000 0.815 265 A HN 0.286 nan 8.150 nan 0.000 0.443 266 F N 0.598 120.251 119.950 -0.495 0.000 2.163 266 F HA -0.058 4.469 4.527 -0.000 0.000 0.297 266 F C 2.206 177.900 175.800 -0.176 0.000 1.094 266 F CA 1.734 59.474 58.000 -0.434 0.000 1.290 266 F CB -0.296 38.267 39.000 -0.729 0.000 1.017 266 F HN 0.449 nan 8.300 nan 0.000 0.483 267 E N 0.352 120.490 120.200 -0.104 0.000 2.058 267 E HA -0.306 4.044 4.350 -0.000 0.000 0.194 267 E C 2.363 178.868 176.600 -0.158 0.000 0.997 267 E CA 1.623 57.944 56.400 -0.132 0.000 0.801 267 E CB -0.284 29.360 29.700 -0.095 0.000 0.746 267 E HN 0.401 nan 8.360 nan 0.000 0.450 268 K N 0.282 120.605 120.400 -0.127 0.000 2.057 268 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 268 K C 2.336 178.863 176.600 -0.122 0.000 1.049 268 K CA 1.282 57.503 56.287 -0.110 0.000 0.931 268 K CB -0.221 32.238 32.500 -0.070 0.000 0.714 268 K HN 0.182 nan 8.250 nan 0.000 0.440 269 L N 1.114 122.278 121.223 -0.099 0.000 2.012 269 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 269 L C 1.874 178.683 176.870 -0.102 0.000 1.073 269 L CA 1.511 56.328 54.840 -0.037 0.000 0.748 269 L CB -0.398 41.685 42.059 0.040 0.000 0.891 269 L HN 0.172 nan 8.230 nan 0.000 0.431 270 L N -0.575 120.527 121.223 -0.202 0.000 2.376 270 L HA -0.080 4.260 4.340 -0.000 0.000 0.219 270 L C 2.185 178.987 176.870 -0.112 0.000 1.133 270 L CA 1.373 56.116 54.840 -0.163 0.000 0.816 270 L CB -0.773 41.153 42.059 -0.221 0.000 0.933 270 L HN 0.407 nan 8.230 nan 0.000 0.449 271 E N -1.705 118.413 120.200 -0.136 0.000 2.489 271 E HA 0.074 4.423 4.350 -0.000 0.000 0.204 271 E C 0.135 176.600 176.600 -0.226 0.000 1.006 271 E CA -0.342 56.012 56.400 -0.076 0.000 0.936 271 E CB 0.269 29.973 29.700 0.007 0.000 1.002 271 E HN 0.348 nan 8.360 nan 0.000 0.488 272 N N 0.814 119.254 118.700 -0.433 0.000 2.412 272 N HA -0.017 4.723 4.740 -0.000 0.000 0.254 272 N C 0.971 175.815 175.510 -1.110 0.000 1.232 272 N CA 1.433 53.894 53.050 -0.982 0.000 0.880 272 N CB 1.099 38.751 38.487 -1.391 0.000 1.076 272 N HN 0.343 nan 8.380 nan 0.000 0.458 273 G N 1.402 109.615 108.800 -0.978 0.000 2.195 273 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.246 273 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.246 273 G C 0.097 174.891 174.900 -0.176 0.000 0.984 273 G CA -0.117 44.780 45.100 -0.337 0.000 0.633 273 G HN 0.546 nan 8.290 nan 0.000 0.525 274 I N 1.963 122.376 120.570 -0.262 0.000 2.336 274 I HA 0.398 4.568 4.170 -0.000 0.000 0.292 274 I C 0.121 175.997 176.117 -0.402 0.000 0.991 274 I CA -0.597 60.484 61.300 -0.365 0.000 1.227 274 I CB 1.843 39.561 38.000 -0.471 0.000 1.366 274 I HN -0.038 nan 8.210 nan 0.000 0.466 275 T N 6.404 120.720 114.554 -0.396 0.000 2.744 275 T HA 0.415 4.765 4.350 -0.000 0.000 0.291 275 T C -0.414 174.037 174.700 -0.415 0.000 0.957 275 T CA -0.159 61.773 62.100 -0.280 0.000 1.002 275 T CB 0.078 68.845 68.868 -0.169 0.000 0.919 275 T HN 0.115 nan 8.240 nan 0.000 0.468 276 F N 5.329 125.233 119.950 -0.077 0.000 2.391 276 F HA 0.356 4.883 4.527 -0.000 0.000 0.359 276 F C -1.550 174.210 175.800 -0.066 0.000 1.122 276 F CA -2.471 55.478 58.000 -0.085 0.000 1.120 276 F CB 0.509 39.432 39.000 -0.128 0.000 1.142 276 F HN 0.360 nan 8.300 nan 0.000 0.483 277 P HA 0.097 nan 4.420 nan 0.000 0.270 277 P C 0.332 177.657 177.300 0.042 0.000 1.223 277 P CA -0.355 62.767 63.100 0.037 0.000 0.785 277 P CB 0.978 32.692 31.700 0.024 0.000 0.923 278 K N 0.648 121.060 120.400 0.020 0.000 2.283 278 K HA -0.095 4.225 4.320 -0.000 0.000 0.202 278 K C 1.270 177.871 176.600 0.002 0.000 1.048 278 K CA 1.296 57.588 56.287 0.008 0.000 0.948 278 K CB -0.414 32.087 32.500 0.001 0.000 0.742 278 K HN 0.568 nan 8.250 nan 0.000 0.458 279 D N -0.481 119.925 120.400 0.010 0.000 2.349 279 D HA -0.017 4.623 4.640 -0.000 0.000 0.224 279 D C 0.280 176.588 176.300 0.012 0.000 1.029 279 D CA 0.040 54.046 54.000 0.010 0.000 0.879 279 D CB 0.023 40.833 40.800 0.017 0.000 0.906 279 D HN 0.026 nan 8.370 nan 0.000 0.528 280 A N 2.052 124.881 122.820 0.014 0.000 2.386 280 A HA 0.373 4.693 4.320 -0.000 0.000 0.248 280 A C -2.045 175.512 177.584 -0.045 0.000 1.082 280 A CA -0.998 51.046 52.037 0.011 0.000 0.789 280 A CB -0.193 18.843 19.000 0.060 0.000 1.025 280 A HN 0.007 nan 8.150 nan 0.000 0.490 281 P HA 0.121 nan 4.420 nan 0.000 0.267 281 P C 0.014 177.168 177.300 -0.244 0.000 1.200 281 P CA -0.001 63.038 63.100 -0.101 0.000 0.772 281 P CB 0.288 31.949 31.700 -0.065 0.000 0.855 282 S N 3.018 118.602 115.700 -0.195 0.000 2.569 282 S HA 0.132 4.601 4.470 -0.000 0.000 0.274 282 S C -2.034 172.312 174.600 -0.424 0.000 1.353 282 S CA -0.518 57.532 58.200 -0.249 0.000 1.023 282 S CB -0.859 62.250 63.200 -0.151 0.000 0.876 282 S HN 0.402 nan 8.310 nan 0.000 0.540 283 P HA 0.112 nan 4.420 nan 0.000 0.266 283 P C -0.786 176.333 177.300 -0.301 0.000 1.195 283 P CA 0.097 62.908 63.100 -0.482 0.000 0.768 283 P CB 0.176 31.666 31.700 -0.351 0.000 0.838 284 F N 2.300 122.133 119.950 -0.195 0.000 2.396 284 F HA 0.380 4.907 4.527 -0.000 0.000 0.343 284 F C 0.888 176.461 175.800 -0.378 0.000 1.104 284 F CA -0.613 57.228 58.000 -0.266 0.000 1.161 284 F CB 0.135 38.952 39.000 -0.306 0.000 1.146 284 F HN 0.098 nan 8.300 nan 0.000 0.522 285 I N 4.348 124.837 120.570 -0.135 0.000 2.382 285 I HA 0.237 4.407 4.170 -0.000 0.000 0.285 285 I C -0.892 175.148 176.117 -0.128 0.000 1.007 285 I CA -0.544 60.668 61.300 -0.147 0.000 1.142 285 I CB 0.657 38.613 38.000 -0.073 0.000 1.289 285 I HN 0.263 nan 8.210 nan 0.000 0.453 286 F N 5.229 125.223 119.950 0.074 0.000 2.399 286 F HA 0.324 4.851 4.527 -0.000 0.000 0.342 286 F C 0.864 176.474 175.800 -0.317 0.000 1.106 286 F CA -0.550 57.314 58.000 -0.227 0.000 1.196 286 F CB 0.516 39.103 39.000 -0.688 0.000 1.163 286 F HN 0.272 nan 8.300 nan 0.000 0.547 287 K N 1.114 121.458 120.400 -0.092 0.000 2.237 287 K HA 0.293 4.613 4.320 -0.000 0.000 0.270 287 K C 0.334 176.804 176.600 -0.217 0.000 1.015 287 K CA -0.557 55.676 56.287 -0.091 0.000 0.949 287 K CB 0.591 33.084 32.500 -0.011 0.000 0.976 287 K HN 0.751 nan 8.250 nan 0.000 0.472 288 T N -0.788 113.750 114.554 -0.027 0.000 2.813 288 T HA 0.108 4.458 4.350 -0.000 0.000 0.297 288 T C 1.564 176.341 174.700 0.129 0.000 1.036 288 T CA -0.620 61.558 62.100 0.129 0.000 1.044 288 T CB 0.419 69.369 68.868 0.136 0.000 0.993 288 T HN 0.451 nan 8.240 nan 0.000 0.535 289 L N 0.066 121.406 121.223 0.195 0.000 2.042 289 L HA -0.117 4.222 4.340 -0.000 0.000 0.210 289 L C 3.063 179.981 176.870 0.079 0.000 1.076 289 L CA 2.012 56.925 54.840 0.122 0.000 0.749 289 L CB -0.701 41.422 42.059 0.106 0.000 0.893 289 L HN 0.904 nan 8.230 nan 0.000 0.432 290 E N 0.574 120.821 120.200 0.078 0.000 2.085 290 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 290 E C 1.969 178.599 176.600 0.050 0.000 0.994 290 E CA 1.508 57.944 56.400 0.060 0.000 0.801 290 E CB 0.043 29.779 29.700 0.061 0.000 0.743 290 E HN 0.499 nan 8.360 nan 0.000 0.453 291 E N -0.175 120.055 120.200 0.050 0.000 2.204 291 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 291 E C 1.911 178.532 176.600 0.034 0.000 0.990 291 E CA 1.006 57.429 56.400 0.039 0.000 0.821 291 E CB 0.061 29.781 29.700 0.034 0.000 0.750 291 E HN 0.381 nan 8.360 nan 0.000 0.477 292 Q N -0.983 118.839 119.800 0.037 0.000 2.392 292 Q HA 0.114 4.454 4.340 -0.000 0.000 0.203 292 Q C 0.828 176.847 176.000 0.032 0.000 0.917 292 Q CA 0.353 56.175 55.803 0.032 0.000 0.939 292 Q CB 1.066 29.823 28.738 0.031 0.000 1.063 292 Q HN 0.329 nan 8.270 nan 0.000 0.516 293 G N 1.155 109.975 108.800 0.034 0.000 2.176 293 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.252 293 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.252 293 G C -0.119 174.799 174.900 0.031 0.000 1.024 293 G CA 0.182 45.301 45.100 0.031 0.000 0.755 293 G HN 0.217 nan 8.290 nan 0.000 0.507 294 L N 0.000 121.245 121.223 0.037 0.000 2.949 294 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 294 L CA 0.000 54.862 54.840 0.036 0.000 0.813 294 L CB 0.000 42.083 42.059 0.040 0.000 0.961 294 L HN 0.000 nan 8.230 nan 0.000 0.502