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 3il5_1_D DATA FIRST_RESID 6 DATA SEQUENCE KNYARISCTS RYVPENCVTN HQLSEMMDTS DEWIHSRTGI SERRIVTQEN DATA SEQUENCE TSDLCHQVAK QLLEKSGKQA SEIDFILVAT VTPDFNMPSV ACQVQGAIGA DATA SEQUENCE TEAFAFDISA ACSGFVYALS MAEKLVLSGR YQTGLVIGGE TFSKMLDWTD DATA SEQUENCE RSTAVLFGDG AAGVLIEAAE TPHFLNEKLQ ADGQRWAALT SGYTINESPF DATA SEQUENCE YQGHKQASKT LQMEGRSIFD FAIKDVSQNI LSLVTDETVD YLLLHQANVR DATA SEQUENCE IIDKIARKTK ISREKFLTNM DKYGNTSAAS IPILLDEAVE NGTLILGSQQ DATA SEQUENCE RVVLTGFGGG LTWGSLLLTL 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.489 176.600 -0.186 0.000 0.988 6 K CA 0.000 56.216 56.287 -0.119 0.000 0.838 6 K CB 0.000 32.483 32.500 -0.027 0.000 1.064 7 N N -0.344 118.108 118.700 -0.414 0.000 2.377 7 N HA 0.104 4.844 4.740 0.000 0.000 0.259 7 N C -1.005 174.324 175.510 -0.301 0.000 1.332 7 N CA -0.272 52.594 53.050 -0.307 0.000 0.877 7 N CB -0.320 37.997 38.487 -0.284 0.000 1.299 7 N HN 0.029 nan 8.380 nan 0.000 0.501 8 Y N 1.038 121.369 120.300 0.050 0.000 2.334 8 Y HA 0.747 5.297 4.550 0.000 0.000 0.328 8 Y C 0.740 176.676 175.900 0.059 0.000 1.130 8 Y CA -1.480 56.667 58.100 0.078 0.000 1.163 8 Y CB 1.189 39.744 38.460 0.159 0.000 1.207 8 Y HN 0.172 nan 8.280 nan 0.000 0.471 9 A N 3.806 126.730 122.820 0.173 0.000 2.269 9 A HA 0.956 5.276 4.320 0.000 0.000 0.319 9 A C -0.325 177.429 177.584 0.283 0.000 1.110 9 A CA -0.757 51.315 52.037 0.059 0.000 0.847 9 A CB 0.933 19.770 19.000 -0.272 0.000 1.161 9 A HN 0.916 nan 8.150 nan 0.000 0.497 10 R N 0.054 120.680 120.500 0.209 0.000 2.663 10 R HA 0.539 4.879 4.340 0.000 0.000 0.267 10 R C -1.947 174.422 176.300 0.116 0.000 1.038 10 R CA -0.796 55.364 56.100 0.099 0.000 0.886 10 R CB 0.788 30.748 30.300 -0.568 0.000 1.249 10 R HN 0.450 nan 8.270 nan 0.000 0.463 11 I N 3.223 123.844 120.570 0.087 0.000 2.347 11 I HA 0.053 4.223 4.170 0.000 0.000 0.294 11 I C 1.154 177.283 176.117 0.020 0.000 1.090 11 I CA -0.182 61.165 61.300 0.078 0.000 1.314 11 I CB 1.581 39.630 38.000 0.082 0.000 1.423 11 I HN 0.920 nan 8.210 nan 0.000 0.503 12 S N 3.973 119.680 115.700 0.012 0.000 2.486 12 S HA 0.083 4.553 4.470 0.000 0.000 0.220 12 S C 0.429 175.033 174.600 0.006 0.000 1.011 12 S CA -0.342 57.858 58.200 -0.001 0.000 0.921 12 S CB 0.317 63.510 63.200 -0.011 0.000 0.785 12 S HN 0.657 nan 8.310 nan 0.000 0.517 13 C N 1.714 121.022 119.300 0.014 0.000 3.170 13 C HA 0.784 5.244 4.460 0.000 0.000 0.319 13 C C -0.501 174.503 174.990 0.023 0.000 1.260 13 C CA 0.175 59.200 59.018 0.012 0.000 1.374 13 C CB 1.028 28.769 27.740 0.001 0.000 1.739 13 C HN 0.682 nan 8.230 nan 0.000 0.479 14 T N 0.930 115.494 114.554 0.018 0.000 2.887 14 T HA 0.891 5.241 4.350 0.000 0.000 0.292 14 T C -0.646 174.060 174.700 0.010 0.000 1.087 14 T CA -0.539 61.572 62.100 0.019 0.000 1.009 14 T CB 1.739 70.612 68.868 0.009 0.000 1.203 14 T HN 1.383 nan 8.240 nan 0.000 0.518 15 S N -0.230 115.473 115.700 0.005 0.000 2.608 15 S HA 0.575 5.045 4.470 0.000 0.000 0.285 15 S C -1.703 172.896 174.600 -0.001 0.000 1.108 15 S CA -0.995 57.210 58.200 0.007 0.000 0.858 15 S CB 1.075 64.285 63.200 0.017 0.000 1.077 15 S HN 1.220 nan 8.310 nan 0.000 0.450 16 R N 1.925 122.428 120.500 0.005 0.000 2.808 16 R HA 0.772 5.112 4.340 0.000 0.000 0.272 16 R C -2.082 174.263 176.300 0.076 0.000 0.995 16 R CA -0.860 55.236 56.100 -0.006 0.000 0.917 16 R CB 1.419 31.664 30.300 -0.093 0.000 1.217 16 R HN 0.616 nan 8.270 nan 0.000 0.471 17 Y N 1.375 121.629 120.300 -0.076 0.000 2.358 17 Y HA 0.426 4.976 4.550 0.000 0.000 0.324 17 Y C -1.618 174.251 175.900 -0.052 0.000 1.123 17 Y CA -0.629 57.441 58.100 -0.050 0.000 1.067 17 Y CB 1.918 40.354 38.460 -0.040 0.000 1.230 17 Y HN 0.694 nan 8.280 nan 0.000 0.429 18 V N 3.300 122.893 119.914 -0.536 0.000 2.960 18 V HA 0.838 4.958 4.120 0.000 0.000 0.315 18 V C -2.832 172.955 176.094 -0.512 0.000 1.087 18 V CA -2.985 59.118 62.300 -0.329 0.000 0.982 18 V CB 1.678 33.418 31.823 -0.138 0.000 1.039 18 V HN 0.630 nan 8.190 nan 0.000 0.437 19 P HA 0.216 nan 4.420 nan 0.000 0.270 19 P C 0.320 177.549 177.300 -0.117 0.000 1.227 19 P CA 0.065 63.109 63.100 -0.094 0.000 0.788 19 P CB 0.528 32.243 31.700 0.025 0.000 0.926 20 E N -0.224 119.934 120.200 -0.070 0.000 2.250 20 E HA -0.069 4.281 4.350 0.000 0.000 0.192 20 E C 0.406 176.995 176.600 -0.018 0.000 0.986 20 E CA 0.213 56.583 56.400 -0.051 0.000 0.849 20 E CB -0.172 29.512 29.700 -0.027 0.000 0.797 20 E HN 0.425 nan 8.360 nan 0.000 0.482 21 N N 1.217 119.914 118.700 -0.005 0.000 2.427 21 N HA -0.041 4.699 4.740 0.000 0.000 0.269 21 N C -1.351 174.165 175.510 0.010 0.000 1.235 21 N CA 0.072 53.123 53.050 0.001 0.000 0.934 21 N CB 0.465 38.953 38.487 -0.000 0.000 1.121 21 N HN 0.008 nan 8.380 nan 0.000 0.480 22 C N 5.018 124.322 119.300 0.007 0.000 2.285 22 C HA 0.592 5.052 4.460 0.000 0.000 0.335 22 C C -0.348 174.653 174.990 0.018 0.000 1.267 22 C CA -0.537 58.490 59.018 0.016 0.000 1.762 22 C CB -0.860 26.883 27.740 0.005 0.000 2.365 22 C HN 0.501 nan 8.230 nan 0.000 0.527 23 V N 6.942 126.878 119.914 0.037 0.000 2.459 23 V HA 0.575 4.695 4.120 0.000 0.000 0.295 23 V C 0.676 176.803 176.094 0.055 0.000 1.029 23 V CA -0.166 62.158 62.300 0.040 0.000 0.874 23 V CB 1.969 33.827 31.823 0.059 0.000 0.985 23 V HN 1.000 nan 8.190 nan 0.000 0.438 24 T N 0.718 115.303 114.554 0.050 0.000 2.948 24 T HA 0.348 4.698 4.350 0.000 0.000 0.285 24 T C 0.858 175.614 174.700 0.093 0.000 1.019 24 T CA -0.690 61.449 62.100 0.065 0.000 1.013 24 T CB 1.238 70.151 68.868 0.075 0.000 1.117 24 T HN 0.397 nan 8.240 nan 0.000 0.533 25 N N 0.106 118.867 118.700 0.102 0.000 2.166 25 N HA -0.112 4.628 4.740 0.000 0.000 0.186 25 N C 1.594 177.204 175.510 0.168 0.000 1.019 25 N CA 1.243 54.370 53.050 0.128 0.000 0.856 25 N CB -0.823 37.739 38.487 0.124 0.000 0.993 25 N HN 0.772 nan 8.380 nan 0.000 0.426 26 H N 1.105 120.204 119.070 0.047 0.000 2.426 26 H HA -0.053 4.503 4.556 0.000 0.000 0.298 26 H C 1.532 176.879 175.328 0.032 0.000 1.107 26 H CA 1.745 57.815 56.048 0.037 0.000 1.298 26 H CB -0.016 29.762 29.762 0.026 0.000 1.377 26 H HN 0.397 nan 8.280 nan 0.000 0.519 27 Q N -0.507 119.289 119.800 -0.007 0.000 2.062 27 Q HA 0.023 4.363 4.340 0.000 0.000 0.196 27 Q C 2.487 178.482 176.000 -0.008 0.000 0.967 27 Q CA 1.238 56.987 55.803 -0.090 0.000 0.832 27 Q CB 0.145 28.850 28.738 -0.056 0.000 0.899 27 Q HN 0.422 nan 8.270 nan 0.000 0.442 28 L N 0.964 122.227 121.223 0.066 0.000 2.478 28 L HA -0.044 4.296 4.340 0.000 0.000 0.223 28 L C 2.341 179.259 176.870 0.080 0.000 1.140 28 L CA 0.699 55.604 54.840 0.108 0.000 0.842 28 L CB -0.407 41.756 42.059 0.174 0.000 0.953 28 L HN 0.262 nan 8.230 nan 0.000 0.452 29 S N -0.661 115.086 115.700 0.079 0.000 2.377 29 S HA -0.143 4.327 4.470 0.000 0.000 0.223 29 S C 1.722 176.344 174.600 0.037 0.000 1.030 29 S CA 0.510 58.748 58.200 0.064 0.000 0.970 29 S CB -0.192 63.079 63.200 0.119 0.000 0.830 29 S HN 0.258 nan 8.310 nan 0.000 0.473 30 E N 0.699 120.916 120.200 0.028 0.000 2.485 30 E HA 0.209 4.559 4.350 0.000 0.000 0.194 30 E C 1.297 177.889 176.600 -0.014 0.000 1.098 30 E CA 0.364 56.761 56.400 -0.006 0.000 0.878 30 E CB -0.473 29.189 29.700 -0.063 0.000 0.939 30 E HN 0.612 nan 8.360 nan 0.000 0.503 31 M N -1.349 118.254 119.600 0.005 0.000 2.470 31 M HA 0.232 4.712 4.480 0.000 0.000 0.262 31 M C 0.794 177.107 176.300 0.020 0.000 1.211 31 M CA 0.417 55.728 55.300 0.018 0.000 1.125 31 M CB 0.628 33.259 32.600 0.053 0.000 1.480 31 M HN 0.136 nan 8.290 nan 0.000 0.541 32 M N -0.655 118.944 119.600 -0.001 0.000 2.410 32 M HA 0.191 4.671 4.480 0.000 0.000 0.376 32 M C -0.982 175.263 176.300 -0.093 0.000 1.051 32 M CA -0.008 55.272 55.300 -0.034 0.000 0.949 32 M CB 0.562 33.142 32.600 -0.033 0.000 1.577 32 M HN -0.026 nan 8.290 nan 0.000 0.560 33 D N 1.657 122.013 120.400 -0.073 0.000 2.697 33 D HA -0.140 4.500 4.640 0.000 0.000 0.238 33 D C 0.082 176.283 176.300 -0.165 0.000 1.152 33 D CA 1.338 55.282 54.000 -0.094 0.000 0.666 33 D CB -0.530 40.215 40.800 -0.091 0.000 1.037 33 D HN 0.415 nan 8.370 nan 0.000 0.423 34 T N -2.235 112.229 114.554 -0.150 0.000 2.669 34 T HA 0.769 5.119 4.350 0.000 0.000 0.283 34 T C -0.254 174.410 174.700 -0.059 0.000 1.019 34 T CA 0.150 62.114 62.100 -0.227 0.000 1.039 34 T CB 1.542 70.203 68.868 -0.345 0.000 1.374 34 T HN 0.184 nan 8.240 nan 0.000 0.523 35 S N -0.265 115.449 115.700 0.023 0.000 2.786 35 S HA 0.514 4.984 4.470 0.000 0.000 0.307 35 S C -0.125 174.572 174.600 0.160 0.000 1.121 35 S CA -0.346 57.919 58.200 0.107 0.000 0.975 35 S CB 1.074 64.358 63.200 0.142 0.000 1.220 35 S HN 0.662 nan 8.310 nan 0.000 0.550 36 D N -0.289 120.193 120.400 0.137 0.000 2.354 36 D HA 0.162 4.802 4.640 0.000 0.000 0.209 36 D C 1.178 177.585 176.300 0.177 0.000 1.015 36 D CA 0.281 54.366 54.000 0.142 0.000 0.867 36 D CB 0.209 41.060 40.800 0.085 0.000 0.933 36 D HN 0.613 nan 8.370 nan 0.000 0.520 37 E N -1.083 119.218 120.200 0.168 0.000 2.485 37 E HA -0.007 4.343 4.350 0.000 0.000 0.213 37 E C 1.194 177.881 176.600 0.145 0.000 0.923 37 E CA -0.172 56.303 56.400 0.126 0.000 1.054 37 E CB 0.050 29.771 29.700 0.034 0.000 1.077 37 E HN 0.327 nan 8.360 nan 0.000 0.509 38 W N 1.479 122.791 121.300 0.019 0.000 2.388 38 W HA -0.052 4.608 4.660 0.000 0.000 0.294 38 W C 1.740 178.269 176.519 0.016 0.000 1.212 38 W CA 1.567 58.916 57.345 0.007 0.000 1.271 38 W CB -0.017 29.444 29.460 0.003 0.000 1.126 38 W HN -0.028 nan 8.180 nan 0.000 0.535 39 I N -0.820 120.005 120.570 0.425 0.000 2.235 39 I HA -0.296 3.874 4.170 0.000 0.000 0.241 39 I C 2.619 178.795 176.117 0.098 0.000 1.085 39 I CA 1.441 62.898 61.300 0.263 0.000 1.378 39 I CB -1.105 37.061 38.000 0.278 0.000 1.076 39 I HN 0.022 nan 8.210 nan 0.000 0.415 40 H N 1.635 120.717 119.070 0.021 0.000 2.352 40 H HA -0.162 4.394 4.556 0.000 0.000 0.299 40 H C 2.374 177.659 175.328 -0.071 0.000 1.097 40 H CA 2.097 58.133 56.048 -0.019 0.000 1.311 40 H CB -0.103 29.658 29.762 -0.001 0.000 1.377 40 H HN 0.382 nan 8.280 nan 0.000 0.504 41 S N -0.203 115.537 115.700 0.066 0.000 2.371 41 S HA -0.111 4.359 4.470 0.000 0.000 0.224 41 S C 2.386 176.903 174.600 -0.140 0.000 1.029 41 S CA 1.004 59.161 58.200 -0.072 0.000 0.978 41 S CB -0.192 62.914 63.200 -0.157 0.000 0.833 41 S HN 0.400 nan 8.310 nan 0.000 0.466 42 R N 1.561 121.902 120.500 -0.265 0.000 2.115 42 R HA -0.042 4.298 4.340 0.000 0.000 0.230 42 R C 2.252 178.417 176.300 -0.225 0.000 1.111 42 R CA 1.962 57.839 56.100 -0.372 0.000 0.976 42 R CB -0.424 29.449 30.300 -0.713 0.000 0.870 42 R HN 0.722 nan 8.270 nan 0.000 0.445 43 T N -5.938 108.534 114.554 -0.136 0.000 3.058 43 T HA 0.289 4.639 4.350 0.000 0.000 0.247 43 T C 1.341 176.006 174.700 -0.059 0.000 0.987 43 T CA 0.406 62.444 62.100 -0.102 0.000 1.062 43 T CB 0.675 69.484 68.868 -0.098 0.000 1.048 43 T HN 0.286 nan 8.240 nan 0.000 0.468 44 G N 1.582 110.368 108.800 -0.023 0.000 2.144 44 G HA2 -0.113 3.847 3.960 0.000 0.000 0.218 44 G HA3 -0.113 3.847 3.960 0.000 0.000 0.218 44 G C -0.103 174.706 174.900 -0.152 0.000 0.988 44 G CA -0.005 45.079 45.100 -0.027 0.000 0.659 44 G HN 0.687 nan 8.290 nan 0.000 0.522 45 I N 0.856 121.319 120.570 -0.178 0.000 2.460 45 I HA 0.492 4.662 4.170 0.000 0.000 0.298 45 I C 1.141 177.097 176.117 -0.269 0.000 0.989 45 I CA -0.491 60.698 61.300 -0.185 0.000 1.173 45 I CB 1.985 39.932 38.000 -0.087 0.000 1.338 45 I HN 0.009 nan 8.210 nan 0.000 0.456 46 S N 3.055 118.612 115.700 -0.239 0.000 2.564 46 S HA 0.167 4.637 4.470 0.000 0.000 0.231 46 S C 0.024 174.584 174.600 -0.067 0.000 1.067 46 S CA -0.270 57.819 58.200 -0.185 0.000 0.908 46 S CB 0.282 63.363 63.200 -0.198 0.000 0.809 46 S HN 0.815 nan 8.310 nan 0.000 0.491 47 E N 0.652 120.816 120.200 -0.061 0.000 2.401 47 E HA 0.687 5.037 4.350 0.000 0.000 0.280 47 E C -1.766 174.838 176.600 0.007 0.000 1.039 47 E CA -1.253 55.140 56.400 -0.013 0.000 0.814 47 E CB 1.267 30.952 29.700 -0.024 0.000 1.275 47 E HN 0.016 nan 8.360 nan 0.000 0.448 48 R N 0.294 120.832 120.500 0.062 0.000 2.836 48 R HA 0.588 4.928 4.340 0.000 0.000 0.269 48 R C -0.864 175.508 176.300 0.120 0.000 1.010 48 R CA -1.157 55.013 56.100 0.115 0.000 0.930 48 R CB 0.879 31.276 30.300 0.163 0.000 1.218 48 R HN 0.310 nan 8.270 nan 0.000 0.473 49 R N 1.162 121.754 120.500 0.153 0.000 2.357 49 R HA 0.464 4.804 4.340 0.000 0.000 0.296 49 R C -0.385 175.997 176.300 0.136 0.000 1.052 49 R CA -0.521 55.650 56.100 0.118 0.000 0.988 49 R CB 0.604 30.966 30.300 0.105 0.000 1.025 49 R HN 0.508 nan 8.270 nan 0.000 0.469 50 I N 3.391 124.024 120.570 0.104 0.000 2.499 50 I HA 0.155 4.325 4.170 0.000 0.000 0.288 50 I C 0.351 176.511 176.117 0.072 0.000 1.048 50 I CA -1.166 60.204 61.300 0.117 0.000 1.062 50 I CB 1.720 39.777 38.000 0.096 0.000 1.238 50 I HN 0.279 nan 8.210 nan 0.000 0.426 51 V N 3.208 123.175 119.914 0.089 0.000 2.740 51 V HA 0.401 4.521 4.120 0.000 0.000 0.303 51 V C 1.028 177.145 176.094 0.038 0.000 1.054 51 V CA 0.356 62.699 62.300 0.070 0.000 1.106 51 V CB 0.682 32.558 31.823 0.087 0.000 0.957 51 V HN 0.987 nan 8.190 nan 0.000 0.486 52 T N -0.833 113.737 114.554 0.028 0.000 2.958 52 T HA 0.233 4.583 4.350 0.000 0.000 0.256 52 T C 1.031 175.739 174.700 0.013 0.000 0.983 52 T CA 0.354 62.457 62.100 0.005 0.000 0.924 52 T CB 0.335 69.198 68.868 -0.008 0.000 1.136 52 T HN 0.684 nan 8.240 nan 0.000 0.506 53 Q N 0.114 119.932 119.800 0.030 0.000 2.237 53 Q HA 0.251 4.591 4.340 0.000 0.000 0.254 53 Q C -0.353 175.673 176.000 0.042 0.000 0.771 53 Q CA 0.144 55.965 55.803 0.031 0.000 0.958 53 Q CB 1.354 30.110 28.738 0.030 0.000 1.202 53 Q HN 0.570 nan 8.270 nan 0.000 0.492 54 E N 1.282 121.518 120.200 0.060 0.000 2.283 54 E HA 0.252 4.602 4.350 0.000 0.000 0.271 54 E C -0.426 176.212 176.600 0.064 0.000 1.031 54 E CA -0.335 56.106 56.400 0.069 0.000 0.868 54 E CB 0.942 30.703 29.700 0.102 0.000 1.094 54 E HN -0.056 nan 8.360 nan 0.000 0.401 55 N N -0.350 118.384 118.700 0.058 0.000 2.741 55 N HA 0.225 4.965 4.740 0.000 0.000 0.310 55 N C 0.573 176.115 175.510 0.053 0.000 1.295 55 N CA -0.362 52.717 53.050 0.048 0.000 0.893 55 N CB 1.303 39.810 38.487 0.033 0.000 1.247 55 N HN 0.284 nan 8.380 nan 0.000 0.596 56 T N -0.209 114.367 114.554 0.038 0.000 2.665 56 T HA -0.180 4.170 4.350 0.000 0.000 0.268 56 T C 1.862 176.588 174.700 0.043 0.000 1.035 56 T CA 2.328 64.448 62.100 0.033 0.000 1.151 56 T CB -0.525 68.347 68.868 0.006 0.000 0.862 56 T HN 0.705 nan 8.240 nan 0.000 0.438 57 S N 2.101 117.831 115.700 0.051 0.000 2.370 57 S HA -0.223 4.247 4.470 0.000 0.000 0.226 57 S C 1.719 176.362 174.600 0.071 0.000 1.033 57 S CA 1.495 59.727 58.200 0.053 0.000 1.011 57 S CB -0.647 62.590 63.200 0.061 0.000 0.852 57 S HN 0.416 nan 8.310 nan 0.000 0.457 58 D N 1.926 122.367 120.400 0.069 0.000 2.104 58 D HA -0.037 4.603 4.640 0.000 0.000 0.194 58 D C 2.137 178.415 176.300 -0.038 0.000 0.994 58 D CA 1.298 55.327 54.000 0.049 0.000 0.830 58 D CB -0.426 40.399 40.800 0.041 0.000 0.959 58 D HN 0.391 nan 8.370 nan 0.000 0.452 59 L N 0.572 121.806 121.223 0.017 0.000 1.970 59 L HA -0.212 4.128 4.340 0.000 0.000 0.212 59 L C 2.855 179.712 176.870 -0.021 0.000 1.071 59 L CA 1.196 56.059 54.840 0.038 0.000 0.751 59 L CB -0.751 41.392 42.059 0.141 0.000 0.889 59 L HN 0.144 nan 8.230 nan 0.000 0.432 60 C N -1.267 118.048 119.300 0.025 0.000 2.422 60 C HA -0.174 4.286 4.460 0.000 0.000 0.279 60 C C 2.756 177.768 174.990 0.036 0.000 1.305 60 C CA 0.554 59.588 59.018 0.027 0.000 1.757 60 C CB -1.356 26.400 27.740 0.027 0.000 1.962 60 C HN 0.562 nan 8.230 nan 0.000 0.499 61 H N 1.486 120.496 119.070 -0.100 0.000 2.289 61 H HA -0.139 4.417 4.556 0.000 0.000 0.296 61 H C 2.191 177.422 175.328 -0.162 0.000 1.091 61 H CA 2.015 57.993 56.048 -0.116 0.000 1.274 61 H CB -0.489 29.204 29.762 -0.114 0.000 1.364 61 H HN 0.358 nan 8.280 nan 0.000 0.490 62 Q N 0.249 119.851 119.800 -0.330 0.000 2.030 62 Q HA -0.106 4.234 4.340 0.000 0.000 0.204 62 Q C 2.834 178.725 176.000 -0.181 0.000 0.986 62 Q CA 1.428 56.945 55.803 -0.477 0.000 0.843 62 Q CB -0.941 27.163 28.738 -1.057 0.000 0.904 62 Q HN 0.400 nan 8.270 nan 0.000 0.420 63 V N 1.495 121.355 119.914 -0.089 0.000 2.250 63 V HA -0.363 3.757 4.120 0.000 0.000 0.253 63 V C 2.424 178.517 176.094 -0.001 0.000 1.065 63 V CA 2.326 64.625 62.300 -0.001 0.000 1.039 63 V CB -1.361 30.477 31.823 0.024 0.000 0.647 63 V HN 0.414 nan 8.190 nan 0.000 0.446 64 A N -0.333 122.494 122.820 0.011 0.000 1.858 64 A HA -0.288 4.032 4.320 0.000 0.000 0.216 64 A C 2.352 179.943 177.584 0.012 0.000 1.190 64 A CA 2.322 54.365 52.037 0.010 0.000 0.617 64 A CB -0.623 18.386 19.000 0.015 0.000 0.827 64 A HN 0.564 nan 8.150 nan 0.000 0.443 65 K N -0.484 119.938 120.400 0.037 0.000 2.059 65 K HA -0.292 4.028 4.320 0.000 0.000 0.212 65 K C 2.246 178.838 176.600 -0.014 0.000 1.050 65 K CA 2.111 58.407 56.287 0.015 0.000 0.927 65 K CB -0.263 32.213 32.500 -0.039 0.000 0.714 65 K HN 0.661 nan 8.250 nan 0.000 0.447 66 Q N 0.398 120.184 119.800 -0.023 0.000 2.020 66 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 66 Q C 2.306 178.303 176.000 -0.005 0.000 0.982 66 Q CA 1.707 57.505 55.803 -0.009 0.000 0.838 66 Q CB -0.140 28.601 28.738 0.005 0.000 0.899 66 Q HN 0.345 nan 8.270 nan 0.000 0.423 67 L N 0.215 121.435 121.223 -0.005 0.000 2.129 67 L HA -0.243 4.098 4.340 0.000 0.000 0.212 67 L C 2.142 179.002 176.870 -0.017 0.000 1.087 67 L CA 0.521 55.356 54.840 -0.009 0.000 0.757 67 L CB -0.349 41.703 42.059 -0.012 0.000 0.896 67 L HN 0.261 nan 8.230 nan 0.000 0.434 68 L N -0.385 120.827 121.223 -0.018 0.000 2.044 68 L HA -0.161 4.179 4.340 0.000 0.000 0.205 68 L C 2.442 179.303 176.870 -0.015 0.000 1.075 68 L CA 1.633 56.460 54.840 -0.021 0.000 0.747 68 L CB -0.713 41.334 42.059 -0.018 0.000 0.903 68 L HN 0.153 nan 8.230 nan 0.000 0.435 69 E N -0.480 119.714 120.200 -0.010 0.000 2.023 69 E HA -0.273 4.077 4.350 0.000 0.000 0.196 69 E C 2.220 178.817 176.600 -0.006 0.000 1.003 69 E CA 1.590 57.986 56.400 -0.007 0.000 0.809 69 E CB -0.151 29.546 29.700 -0.005 0.000 0.755 69 E HN 0.242 nan 8.360 nan 0.000 0.449 70 K N 0.140 120.538 120.400 -0.004 0.000 2.152 70 K HA -0.161 4.159 4.320 0.000 0.000 0.206 70 K C 2.006 178.604 176.600 -0.004 0.000 1.048 70 K CA 1.641 57.927 56.287 -0.002 0.000 0.933 70 K CB -0.015 32.485 32.500 0.001 0.000 0.721 70 K HN 0.175 nan 8.250 nan 0.000 0.447 71 S N -2.062 113.633 115.700 -0.008 0.000 2.492 71 S HA 0.160 4.630 4.470 0.000 0.000 0.218 71 S C 1.463 176.056 174.600 -0.012 0.000 1.016 71 S CA 0.477 58.671 58.200 -0.011 0.000 0.916 71 S CB 0.586 63.776 63.200 -0.017 0.000 0.791 71 S HN 0.493 nan 8.310 nan 0.000 0.513 72 G N 1.540 110.333 108.800 -0.012 0.000 2.205 72 G HA2 -0.248 3.712 3.960 0.000 0.000 0.261 72 G HA3 -0.248 3.712 3.960 0.000 0.000 0.261 72 G C 0.124 175.014 174.900 -0.016 0.000 0.980 72 G CA 0.314 45.407 45.100 -0.011 0.000 0.632 72 G HN 0.505 nan 8.290 nan 0.000 0.533 73 K N 0.868 121.254 120.400 -0.023 0.000 2.440 73 K HA 0.219 4.539 4.320 0.000 0.000 0.270 73 K C 0.777 177.359 176.600 -0.030 0.000 0.980 73 K CA 0.257 56.526 56.287 -0.030 0.000 0.953 73 K CB 0.353 32.826 32.500 -0.044 0.000 0.925 73 K HN 0.404 nan 8.250 nan 0.000 0.497 74 Q N 0.231 120.013 119.800 -0.031 0.000 2.214 74 Q HA 0.238 4.578 4.340 0.000 0.000 0.251 74 Q C 0.989 176.964 176.000 -0.041 0.000 0.936 74 Q CA -0.260 55.526 55.803 -0.030 0.000 0.894 74 Q CB 1.467 30.191 28.738 -0.023 0.000 1.252 74 Q HN 0.695 nan 8.270 nan 0.000 0.448 75 A N 1.508 124.304 122.820 -0.040 0.000 1.978 75 A HA -0.204 4.116 4.320 0.000 0.000 0.220 75 A C 1.971 179.521 177.584 -0.057 0.000 1.170 75 A CA 2.167 54.172 52.037 -0.053 0.000 0.636 75 A CB -0.525 18.447 19.000 -0.046 0.000 0.810 75 A HN 0.779 nan 8.150 nan 0.000 0.448 76 S N 0.203 115.879 115.700 -0.040 0.000 2.442 76 S HA -0.151 4.319 4.470 0.000 0.000 0.236 76 S C 1.318 175.897 174.600 -0.036 0.000 1.007 76 S CA 1.221 59.402 58.200 -0.032 0.000 0.965 76 S CB -0.449 62.739 63.200 -0.019 0.000 0.773 76 S HN 0.729 nan 8.310 nan 0.000 0.504 77 E N 0.665 120.837 120.200 -0.046 0.000 2.482 77 E HA 0.106 4.456 4.350 0.000 0.000 0.196 77 E C -0.186 176.363 176.600 -0.086 0.000 1.047 77 E CA 0.036 56.406 56.400 -0.050 0.000 0.869 77 E CB -0.045 29.626 29.700 -0.048 0.000 0.836 77 E HN 0.485 nan 8.360 nan 0.000 0.520 78 I N 2.465 122.965 120.570 -0.117 0.000 2.396 78 I HA -0.023 4.147 4.170 0.000 0.000 0.289 78 I C 0.740 176.735 176.117 -0.204 0.000 1.056 78 I CA 0.195 61.373 61.300 -0.203 0.000 1.365 78 I CB 0.741 38.613 38.000 -0.213 0.000 1.407 78 I HN -0.089 nan 8.210 nan 0.000 0.509 79 D N 6.056 126.294 120.400 -0.270 0.000 2.271 79 D HA 0.061 4.701 4.640 0.000 0.000 0.206 79 D C 0.055 176.115 176.300 -0.399 0.000 0.967 79 D CA 1.169 55.074 54.000 -0.158 0.000 0.867 79 D CB 0.297 41.153 40.800 0.094 0.000 0.960 79 D HN 0.517 nan 8.370 nan 0.000 0.509 80 F N -1.343 118.262 119.950 -0.574 0.000 2.725 80 F HA 0.499 5.026 4.527 0.000 0.000 0.309 80 F C -1.905 173.591 175.800 -0.507 0.000 1.132 80 F CA -1.423 56.055 58.000 -0.870 0.000 0.957 80 F CB 0.830 38.965 39.000 -1.441 0.000 1.286 80 F HN -0.358 nan 8.300 nan 0.000 0.440 81 I N 3.766 124.188 120.570 -0.247 0.000 2.468 81 I HA 0.411 4.581 4.170 0.000 0.000 0.284 81 I C -1.159 174.848 176.117 -0.182 0.000 1.038 81 I CA -0.533 60.656 61.300 -0.185 0.000 1.083 81 I CB 1.790 39.690 38.000 -0.166 0.000 1.223 81 I HN 0.523 nan 8.210 nan 0.000 0.443 82 L N 6.662 127.788 121.223 -0.162 0.000 2.309 82 L HA 0.660 5.000 4.340 0.000 0.000 0.282 82 L C -0.590 176.178 176.870 -0.170 0.000 1.036 82 L CA -0.973 53.675 54.840 -0.321 0.000 0.806 82 L CB 1.991 43.851 42.059 -0.332 0.000 1.220 82 L HN 0.249 nan 8.230 nan 0.000 0.429 83 V N 2.159 121.981 119.914 -0.153 0.000 2.483 83 V HA 0.526 4.646 4.120 0.000 0.000 0.297 83 V C 0.030 176.109 176.094 -0.026 0.000 1.027 83 V CA -0.631 61.637 62.300 -0.053 0.000 0.855 83 V CB 1.793 33.597 31.823 -0.031 0.000 0.995 83 V HN 0.844 nan 8.190 nan 0.000 0.424 84 A N 3.518 126.347 122.820 0.016 0.000 2.269 84 A HA 0.796 5.116 4.320 0.000 0.000 0.302 84 A C 0.053 177.639 177.584 0.004 0.000 1.266 84 A CA -0.130 51.921 52.037 0.023 0.000 0.894 84 A CB 0.830 19.873 19.000 0.072 0.000 1.147 84 A HN 0.859 nan 8.150 nan 0.000 0.537 85 T N 0.621 115.157 114.554 -0.030 0.000 2.840 85 T HA 0.396 4.746 4.350 0.000 0.000 0.317 85 T C -0.736 173.897 174.700 -0.111 0.000 1.401 85 T CA 0.066 62.120 62.100 -0.076 0.000 1.028 85 T CB 1.571 70.401 68.868 -0.063 0.000 1.317 85 T HN 0.997 nan 8.240 nan 0.000 0.495 86 V N 2.963 122.757 119.914 -0.200 0.000 3.252 86 V HA 0.351 4.471 4.120 0.000 0.000 0.320 86 V C 0.665 176.596 176.094 -0.271 0.000 1.459 86 V CA 0.765 62.938 62.300 -0.213 0.000 1.095 86 V CB 0.479 32.162 31.823 -0.233 0.000 0.997 86 V HN 1.064 nan 8.190 nan 0.000 0.469 87 T N -0.346 114.053 114.554 -0.259 0.000 3.516 87 T HA 0.425 4.775 4.350 0.000 0.000 0.245 87 T C -2.544 172.088 174.700 -0.112 0.000 1.077 87 T CA -1.541 60.429 62.100 -0.216 0.000 1.222 87 T CB 0.687 69.390 68.868 -0.275 0.000 1.045 87 T HN 0.297 nan 8.240 nan 0.000 0.585 88 P HA 0.213 nan 4.420 nan 0.000 0.269 88 P C 0.060 177.345 177.300 -0.024 0.000 1.215 88 P CA 0.023 63.111 63.100 -0.019 0.000 0.780 88 P CB 0.995 32.701 31.700 0.010 0.000 0.898 89 D N 1.027 121.439 120.400 0.019 0.000 2.087 89 D HA -0.088 4.552 4.640 0.000 0.000 0.192 89 D C 0.485 176.646 176.300 -0.232 0.000 0.993 89 D CA 1.798 55.765 54.000 -0.055 0.000 0.828 89 D CB -0.519 40.362 40.800 0.134 0.000 0.968 89 D HN 0.367 nan 8.370 nan 0.000 0.448 90 F N -0.164 119.777 119.950 -0.014 0.000 2.556 90 F HA 0.367 4.894 4.527 0.000 0.000 0.327 90 F C 1.474 177.261 175.800 -0.020 0.000 1.059 90 F CA -1.051 56.940 58.000 -0.016 0.000 0.953 90 F CB 0.795 39.787 39.000 -0.013 0.000 1.227 90 F HN -0.316 nan 8.300 nan 0.000 0.478 91 N N 0.603 119.397 118.700 0.156 0.000 2.188 91 N HA -0.055 4.685 4.740 0.000 0.000 0.184 91 N C -0.045 175.523 175.510 0.097 0.000 1.018 91 N CA 1.192 54.294 53.050 0.086 0.000 0.858 91 N CB 0.229 38.739 38.487 0.038 0.000 0.989 91 N HN 0.511 nan 8.380 nan 0.000 0.426 92 M N 1.241 120.921 119.600 0.134 0.000 2.267 92 M HA 0.335 4.815 4.480 0.000 0.000 0.289 92 M C -2.699 173.580 176.300 -0.035 0.000 1.043 92 M CA -1.705 53.625 55.300 0.050 0.000 0.928 92 M CB 2.735 35.346 32.600 0.018 0.000 1.613 92 M HN -0.203 nan 8.290 nan 0.000 0.450 93 P HA 0.187 nan 4.420 nan 0.000 0.274 93 P C -0.687 176.626 177.300 0.022 0.000 1.246 93 P CA -0.213 62.849 63.100 -0.064 0.000 0.795 93 P CB 0.644 32.272 31.700 -0.119 0.000 1.006 94 S N -0.079 115.642 115.700 0.035 0.000 2.584 94 S HA 0.055 4.525 4.470 0.000 0.000 0.270 94 S C 1.442 176.071 174.600 0.047 0.000 1.346 94 S CA -0.573 57.663 58.200 0.060 0.000 1.018 94 S CB 0.012 63.262 63.200 0.084 0.000 0.899 94 S HN 0.226 nan 8.310 nan 0.000 0.542 95 V N 2.392 122.335 119.914 0.049 0.000 2.295 95 V HA -0.156 3.964 4.120 0.000 0.000 0.246 95 V C 3.027 179.124 176.094 0.005 0.000 1.049 95 V CA 2.238 64.558 62.300 0.033 0.000 1.024 95 V CB -1.892 29.947 31.823 0.027 0.000 0.648 95 V HN 1.048 nan 8.190 nan 0.000 0.447 96 A N -0.896 121.924 122.820 -0.000 0.000 1.927 96 A HA -0.334 3.986 4.320 0.000 0.000 0.220 96 A C 2.351 179.919 177.584 -0.027 0.000 1.185 96 A CA 2.568 54.589 52.037 -0.027 0.000 0.639 96 A CB -1.286 17.689 19.000 -0.042 0.000 0.820 96 A HN 0.601 nan 8.150 nan 0.000 0.451 97 C N -1.172 118.126 119.300 -0.003 0.000 2.440 97 C HA -0.098 4.362 4.460 0.000 0.000 0.278 97 C C 2.910 177.872 174.990 -0.046 0.000 1.295 97 C CA 1.144 60.154 59.018 -0.013 0.000 1.738 97 C CB -1.366 26.375 27.740 0.001 0.000 1.987 97 C HN 0.685 nan 8.230 nan 0.000 0.492 98 Q N -0.180 119.593 119.800 -0.046 0.000 2.079 98 Q HA -0.144 4.196 4.340 0.000 0.000 0.200 98 Q C 2.353 178.282 176.000 -0.118 0.000 0.974 98 Q CA 1.390 57.152 55.803 -0.069 0.000 0.840 98 Q CB -0.228 28.492 28.738 -0.031 0.000 0.898 98 Q HN 0.556 nan 8.270 nan 0.000 0.430 99 V N 1.206 121.056 119.914 -0.106 0.000 2.295 99 V HA -0.272 3.848 4.120 0.000 0.000 0.246 99 V C 2.403 178.398 176.094 -0.165 0.000 1.049 99 V CA 1.820 64.026 62.300 -0.156 0.000 1.024 99 V CB -0.628 31.144 31.823 -0.084 0.000 0.648 99 V HN 0.433 nan 8.190 nan 0.000 0.447 100 Q N 0.266 119.999 119.800 -0.113 0.000 2.181 100 Q HA -0.194 4.146 4.340 0.000 0.000 0.205 100 Q C 2.143 178.081 176.000 -0.103 0.000 0.980 100 Q CA 2.185 57.928 55.803 -0.100 0.000 0.862 100 Q CB -0.376 28.320 28.738 -0.070 0.000 0.905 100 Q HN 0.663 nan 8.270 nan 0.000 0.429 101 G N -0.106 108.627 108.800 -0.111 0.000 2.426 101 G HA2 -0.046 3.914 3.960 0.000 0.000 0.214 101 G HA3 -0.046 3.914 3.960 0.000 0.000 0.214 101 G C 1.469 176.284 174.900 -0.141 0.000 1.156 101 G CA 0.687 45.724 45.100 -0.106 0.000 0.802 101 G HN 0.464 nan 8.290 nan 0.000 0.534 102 A N 1.057 123.736 122.820 -0.235 0.000 2.015 102 A HA 0.111 4.431 4.320 0.000 0.000 0.219 102 A C 2.296 179.717 177.584 -0.271 0.000 1.163 102 A CA 1.397 53.227 52.037 -0.345 0.000 0.646 102 A CB -0.361 18.169 19.000 -0.783 0.000 0.806 102 A HN 0.732 nan 8.150 nan 0.000 0.448 103 I N -5.447 114.993 120.570 -0.217 0.000 3.968 103 I HA 0.480 4.650 4.170 0.000 0.000 0.328 103 I C 1.186 177.264 176.117 -0.065 0.000 1.290 103 I CA 0.615 61.860 61.300 -0.092 0.000 1.163 103 I CB 0.143 38.105 38.000 -0.063 0.000 1.024 103 I HN 0.328 nan 8.210 nan 0.000 0.413 104 G N 2.070 110.825 108.800 -0.076 0.000 2.149 104 G HA2 -0.248 3.712 3.960 0.000 0.000 0.235 104 G HA3 -0.248 3.712 3.960 0.000 0.000 0.235 104 G C 0.536 175.405 174.900 -0.051 0.000 1.018 104 G CA 0.025 45.092 45.100 -0.054 0.000 0.728 104 G HN 0.890 nan 8.290 nan 0.000 0.508 105 A N 0.967 123.748 122.820 -0.065 0.000 3.046 105 A HA 0.550 4.870 4.320 0.000 0.000 0.259 105 A C 1.909 179.461 177.584 -0.052 0.000 1.843 105 A CA 1.556 53.552 52.037 -0.069 0.000 1.451 105 A CB -0.759 18.183 19.000 -0.098 0.000 1.025 105 A HN 1.585 nan 8.150 nan 0.000 0.625 106 T N -2.102 112.431 114.554 -0.035 0.000 3.051 106 T HA -0.049 4.301 4.350 0.000 0.000 0.269 106 T C 0.748 175.447 174.700 -0.002 0.000 1.127 106 T CA 1.370 63.459 62.100 -0.018 0.000 1.107 106 T CB -0.053 68.807 68.868 -0.013 0.000 0.898 106 T HN 0.483 nan 8.240 nan 0.000 0.517 107 E N 0.859 121.053 120.200 -0.009 0.000 2.476 107 E HA 0.483 4.833 4.350 0.000 0.000 0.196 107 E C 0.418 177.027 176.600 0.014 0.000 1.029 107 E CA -0.070 56.339 56.400 0.014 0.000 0.896 107 E CB 0.725 30.431 29.700 0.009 0.000 1.012 107 E HN 0.714 nan 8.360 nan 0.000 0.475 108 A N 1.090 123.895 122.820 -0.026 0.000 2.337 108 A HA 0.629 4.949 4.320 0.000 0.000 0.331 108 A C -0.304 177.281 177.584 0.001 0.000 1.137 108 A CA -0.753 51.227 52.037 -0.095 0.000 0.807 108 A CB 0.406 19.289 19.000 -0.196 0.000 1.250 108 A HN 0.130 nan 8.150 nan 0.000 0.468 109 F N 0.075 120.031 119.950 0.009 0.000 2.397 109 F HA 0.816 5.343 4.527 0.000 0.000 0.331 109 F C 0.174 176.011 175.800 0.062 0.000 1.090 109 F CA -0.815 57.203 58.000 0.030 0.000 1.065 109 F CB 1.250 40.263 39.000 0.023 0.000 1.184 109 F HN 0.660 nan 8.300 nan 0.000 0.499 110 A N 3.618 126.584 122.820 0.243 0.000 2.393 110 A HA 0.854 5.174 4.320 0.000 0.000 0.306 110 A C -1.475 176.288 177.584 0.299 0.000 1.050 110 A CA -0.633 51.474 52.037 0.117 0.000 0.724 110 A CB 0.976 19.991 19.000 0.024 0.000 1.248 110 A HN 1.118 nan 8.150 nan 0.000 0.424 111 F N -0.397 119.593 119.950 0.068 0.000 2.686 111 F HA 0.751 5.278 4.527 0.000 0.000 0.311 111 F C -1.392 174.425 175.800 0.030 0.000 1.128 111 F CA -1.150 56.879 58.000 0.047 0.000 0.946 111 F CB 0.962 39.995 39.000 0.055 0.000 1.336 111 F HN 0.343 nan 8.300 nan 0.000 0.457 112 D N 1.998 122.541 120.400 0.240 0.000 2.193 112 D HA 0.576 5.216 4.640 0.000 0.000 0.249 112 D C -0.337 176.105 176.300 0.237 0.000 1.034 112 D CA 0.027 54.101 54.000 0.123 0.000 0.902 112 D CB 2.239 43.088 40.800 0.081 0.000 1.182 112 D HN 0.565 nan 8.370 nan 0.000 0.436 113 I N 0.408 121.054 120.570 0.125 0.000 2.562 113 I HA 0.245 4.415 4.170 0.000 0.000 0.301 113 I C 0.028 176.180 176.117 0.059 0.000 1.003 113 I CA -0.674 60.713 61.300 0.146 0.000 1.127 113 I CB 1.909 39.986 38.000 0.128 0.000 1.304 113 I HN 0.138 nan 8.210 nan 0.000 0.446 114 S N 4.535 120.259 115.700 0.040 0.000 2.622 114 S HA 0.712 5.182 4.470 0.000 0.000 0.283 114 S C -0.283 174.280 174.600 -0.060 0.000 1.197 114 S CA -0.293 57.897 58.200 -0.016 0.000 1.146 114 S CB 0.691 63.883 63.200 -0.015 0.000 1.007 114 S HN 0.721 nan 8.310 nan 0.000 0.478 115 A N 3.597 126.343 122.820 -0.123 0.000 2.897 115 A HA 0.753 5.073 4.320 0.000 0.000 0.230 115 A C 0.869 178.325 177.584 -0.214 0.000 0.896 115 A CA 0.224 52.105 52.037 -0.260 0.000 1.114 115 A CB -0.689 17.948 19.000 -0.606 0.000 1.230 115 A HN 1.990 nan 8.150 nan 0.000 0.481 116 A N -0.935 121.814 122.820 -0.118 0.000 5.476 116 A HA -0.372 3.948 4.320 0.000 0.000 0.327 116 A C 1.739 179.255 177.584 -0.113 0.000 1.778 116 A CA 1.570 53.560 52.037 -0.079 0.000 0.721 116 A CB -1.851 17.141 19.000 -0.014 0.000 1.388 116 A HN 1.466 nan 8.150 nan 0.000 0.397 117 C N -0.091 119.127 119.300 -0.137 0.000 2.491 117 C HA 0.236 4.696 4.460 0.000 0.000 0.277 117 C C 2.556 177.387 174.990 -0.266 0.000 1.455 117 C CA 1.013 59.830 59.018 -0.334 0.000 1.758 117 C CB -1.501 25.805 27.740 -0.723 0.000 1.745 117 C HN 0.644 nan 8.230 nan 0.000 0.558 118 S N 0.706 116.320 115.700 -0.143 0.000 2.605 118 S HA 0.109 4.579 4.470 0.000 0.000 0.217 118 S C 1.929 176.488 174.600 -0.068 0.000 0.958 118 S CA 0.569 58.732 58.200 -0.062 0.000 0.919 118 S CB 0.012 63.142 63.200 -0.117 0.000 0.780 118 S HN 0.763 nan 8.310 nan 0.000 0.507 119 G N 1.171 109.929 108.800 -0.071 0.000 2.418 119 G HA2 -0.208 3.752 3.960 0.000 0.000 0.217 119 G HA3 -0.208 3.752 3.960 0.000 0.000 0.217 119 G C 1.100 176.067 174.900 0.112 0.000 1.158 119 G CA 0.466 45.554 45.100 -0.019 0.000 0.771 119 G HN 0.550 nan 8.290 nan 0.000 0.545 120 F N 1.076 121.043 119.950 0.029 0.000 2.186 120 F HA -0.018 4.509 4.527 0.000 0.000 0.299 120 F C 2.605 178.478 175.800 0.122 0.000 1.090 120 F CA 1.149 59.187 58.000 0.063 0.000 1.307 120 F CB -0.073 38.958 39.000 0.051 0.000 1.019 120 F HN 0.001 nan 8.300 nan 0.000 0.489 121 V N -0.737 119.313 119.914 0.228 0.000 2.453 121 V HA -0.276 3.844 4.120 0.000 0.000 0.247 121 V C 2.068 178.276 176.094 0.190 0.000 1.048 121 V CA 1.636 64.053 62.300 0.196 0.000 1.049 121 V CB -0.969 31.036 31.823 0.303 0.000 0.672 121 V HN 0.307 nan 8.190 nan 0.000 0.457 122 Y N 0.881 121.187 120.300 0.009 0.000 2.145 122 Y HA -0.194 4.356 4.550 0.000 0.000 0.286 122 Y C 2.551 178.420 175.900 -0.051 0.000 1.145 122 Y CA 1.222 59.318 58.100 -0.006 0.000 1.148 122 Y CB -1.124 37.344 38.460 0.013 0.000 0.981 122 Y HN 0.195 nan 8.280 nan 0.000 0.507 123 A N -0.543 122.320 122.820 0.072 0.000 1.873 123 A HA -0.159 4.161 4.320 0.000 0.000 0.215 123 A C 2.231 179.730 177.584 -0.143 0.000 1.186 123 A CA 1.541 53.544 52.037 -0.056 0.000 0.616 123 A CB -1.128 17.809 19.000 -0.105 0.000 0.823 123 A HN 0.383 nan 8.150 nan 0.000 0.442 124 L N -0.004 121.056 121.223 -0.271 0.000 2.012 124 L HA -0.139 4.201 4.340 0.000 0.000 0.210 124 L C 2.644 179.488 176.870 -0.042 0.000 1.073 124 L CA 2.508 57.224 54.840 -0.207 0.000 0.748 124 L CB -0.921 40.952 42.059 -0.309 0.000 0.891 124 L HN 0.386 nan 8.230 nan 0.000 0.431 125 S N -1.034 114.658 115.700 -0.014 0.000 2.359 125 S HA -0.327 4.143 4.470 0.000 0.000 0.223 125 S C 2.138 176.697 174.600 -0.069 0.000 1.039 125 S CA 2.149 60.341 58.200 -0.014 0.000 1.042 125 S CB -0.439 62.732 63.200 -0.048 0.000 0.915 125 S HN 0.535 nan 8.310 nan 0.000 0.439 126 M N 1.549 121.110 119.600 -0.065 0.000 2.159 126 M HA 0.069 4.549 4.480 0.000 0.000 0.263 126 M C 1.936 178.160 176.300 -0.125 0.000 1.063 126 M CA 1.849 57.109 55.300 -0.067 0.000 1.110 126 M CB -0.736 31.857 32.600 -0.012 0.000 1.374 126 M HN 0.330 nan 8.290 nan 0.000 0.411 127 A N -0.335 122.406 122.820 -0.131 0.000 1.933 127 A HA -0.186 4.134 4.320 0.000 0.000 0.218 127 A C 2.190 179.711 177.584 -0.105 0.000 1.175 127 A CA 1.887 53.857 52.037 -0.112 0.000 0.628 127 A CB -0.967 18.093 19.000 0.100 0.000 0.814 127 A HN 0.669 nan 8.150 nan 0.000 0.444 128 E N 0.304 120.368 120.200 -0.227 0.000 2.106 128 E HA -0.193 4.157 4.350 0.000 0.000 0.192 128 E C 1.418 177.909 176.600 -0.181 0.000 0.984 128 E CA 1.095 57.272 56.400 -0.371 0.000 0.806 128 E CB -0.115 29.175 29.700 -0.682 0.000 0.750 128 E HN 0.424 nan 8.360 nan 0.000 0.458 129 K N 0.509 120.835 120.400 -0.124 0.000 2.148 129 K HA -0.067 4.253 4.320 0.000 0.000 0.204 129 K C 2.377 178.956 176.600 -0.036 0.000 1.050 129 K CA 0.506 56.752 56.287 -0.069 0.000 0.942 129 K CB -0.358 32.109 32.500 -0.056 0.000 0.724 129 K HN 0.259 nan 8.250 nan 0.000 0.446 130 L N 0.426 121.622 121.223 -0.045 0.000 2.072 130 L HA -0.124 4.216 4.340 0.000 0.000 0.205 130 L C 2.406 179.375 176.870 0.166 0.000 1.079 130 L CA 0.586 55.463 54.840 0.062 0.000 0.752 130 L CB -0.433 41.488 42.059 -0.229 0.000 0.906 130 L HN -0.146 nan 8.230 nan 0.000 0.436 131 V N -0.040 119.943 119.914 0.116 0.000 2.295 131 V HA -0.285 3.835 4.120 0.000 0.000 0.246 131 V C 2.272 178.371 176.094 0.008 0.000 1.049 131 V CA 1.368 63.730 62.300 0.104 0.000 1.024 131 V CB -0.429 31.425 31.823 0.051 0.000 0.648 131 V HN 0.375 nan 8.190 nan 0.000 0.447 132 L N 1.074 122.280 121.223 -0.029 0.000 2.450 132 L HA -0.099 4.241 4.340 0.000 0.000 0.224 132 L C 2.355 179.190 176.870 -0.057 0.000 1.149 132 L CA 2.257 57.067 54.840 -0.049 0.000 0.816 132 L CB -0.605 41.434 42.059 -0.035 0.000 0.932 132 L HN 0.650 nan 8.230 nan 0.000 0.449 133 S N -1.817 113.853 115.700 -0.050 0.000 2.478 133 S HA 0.130 4.600 4.470 0.000 0.000 0.222 133 S C 1.590 176.125 174.600 -0.109 0.000 1.008 133 S CA 0.695 58.850 58.200 -0.074 0.000 0.928 133 S CB 0.469 63.626 63.200 -0.072 0.000 0.781 133 S HN 0.566 nan 8.310 nan 0.000 0.518 134 G N 1.812 110.546 108.800 -0.111 0.000 2.232 134 G HA2 -0.267 3.693 3.960 0.000 0.000 0.226 134 G HA3 -0.267 3.693 3.960 0.000 0.000 0.226 134 G C 1.073 175.867 174.900 -0.177 0.000 0.996 134 G CA 0.190 45.217 45.100 -0.121 0.000 0.626 134 G HN 0.506 nan 8.290 nan 0.000 0.509 135 R N -0.618 119.677 120.500 -0.341 0.000 2.148 135 R HA 0.199 4.539 4.340 0.000 0.000 0.223 135 R C 0.505 176.447 176.300 -0.597 0.000 1.088 135 R CA 1.099 56.843 56.100 -0.592 0.000 0.985 135 R CB -0.014 29.677 30.300 -1.016 0.000 0.880 135 R HN 0.528 nan 8.270 nan 0.000 0.451 136 Y N -1.118 119.250 120.300 0.114 0.000 2.570 136 Y HA 0.266 4.816 4.550 0.000 0.000 0.345 136 Y C 0.441 176.417 175.900 0.127 0.000 1.014 136 Y CA -1.120 57.087 58.100 0.177 0.000 1.063 136 Y CB 1.913 40.584 38.460 0.351 0.000 1.272 136 Y HN -0.272 nan 8.280 nan 0.000 0.477 137 Q N -0.543 119.407 119.800 0.251 0.000 2.043 137 Q HA 0.243 4.583 4.340 0.000 0.000 0.219 137 Q C -0.815 175.199 176.000 0.025 0.000 0.762 137 Q CA 0.120 55.989 55.803 0.109 0.000 0.943 137 Q CB 1.929 30.700 28.738 0.055 0.000 1.194 137 Q HN 0.582 nan 8.270 nan 0.000 0.447 138 T N 0.217 114.738 114.554 -0.054 0.000 2.991 138 T HA 0.752 5.102 4.350 0.000 0.000 0.303 138 T C -0.702 173.616 174.700 -0.637 0.000 1.015 138 T CA -0.491 61.470 62.100 -0.231 0.000 1.007 138 T CB 1.639 70.406 68.868 -0.167 0.000 1.034 138 T HN 0.216 nan 8.240 nan 0.000 0.446 139 G N 2.070 110.396 108.800 -0.790 0.000 2.659 139 G HA2 0.698 4.658 3.960 0.000 0.000 0.296 139 G HA3 0.698 4.658 3.960 0.000 0.000 0.296 139 G C -1.562 172.974 174.900 -0.607 0.000 1.369 139 G CA -0.764 43.509 45.100 -1.377 0.000 0.937 139 G HN 0.704 nan 8.290 nan 0.000 0.485 140 L N 0.955 121.889 121.223 -0.482 0.000 2.295 140 L HA 0.616 4.956 4.340 0.000 0.000 0.285 140 L C -0.463 176.338 176.870 -0.116 0.000 1.035 140 L CA -1.093 53.620 54.840 -0.212 0.000 0.806 140 L CB 1.878 43.839 42.059 -0.163 0.000 1.214 140 L HN 0.144 nan 8.230 nan 0.000 0.426 141 V N 5.072 124.971 119.914 -0.025 0.000 2.407 141 V HA 0.512 4.632 4.120 0.000 0.000 0.291 141 V C -0.118 176.049 176.094 0.122 0.000 1.018 141 V CA -0.269 62.034 62.300 0.005 0.000 0.842 141 V CB 1.927 33.713 31.823 -0.062 0.000 0.996 141 V HN 0.542 nan 8.190 nan 0.000 0.426 142 I N 3.467 124.100 120.570 0.106 0.000 2.533 142 I HA 0.653 4.823 4.170 0.000 0.000 0.290 142 I C 0.563 176.786 176.117 0.176 0.000 1.056 142 I CA -0.498 60.895 61.300 0.155 0.000 1.057 142 I CB 2.307 40.345 38.000 0.064 0.000 1.240 142 I HN 0.702 nan 8.210 nan 0.000 0.423 143 G N 3.318 112.247 108.800 0.214 0.000 2.356 143 G HA2 0.699 4.659 3.960 0.000 0.000 0.322 143 G HA3 0.699 4.659 3.960 0.000 0.000 0.322 143 G C -0.537 174.396 174.900 0.054 0.000 1.125 143 G CA -0.592 44.594 45.100 0.143 0.000 0.885 143 G HN 0.830 nan 8.290 nan 0.000 0.467 144 G N 0.491 109.307 108.800 0.027 0.000 2.753 144 G HA2 0.553 4.513 3.960 0.000 0.000 0.295 144 G HA3 0.553 4.513 3.960 0.000 0.000 0.295 144 G C -1.662 173.226 174.900 -0.021 0.000 1.437 144 G CA -0.452 44.657 45.100 0.014 0.000 1.094 144 G HN 0.574 nan 8.290 nan 0.000 0.540 145 E N 0.303 120.495 120.200 -0.013 0.000 2.321 145 E HA 0.626 4.976 4.350 0.000 0.000 0.278 145 E C -0.281 176.318 176.600 -0.002 0.000 0.902 145 E CA -0.687 55.674 56.400 -0.065 0.000 0.758 145 E CB 1.945 31.598 29.700 -0.079 0.000 1.213 145 E HN 0.518 nan 8.360 nan 0.000 0.426 146 T N 1.220 115.756 114.554 -0.030 0.000 3.438 146 T HA 0.240 4.590 4.350 0.000 0.000 0.244 146 T C 0.442 175.208 174.700 0.110 0.000 1.269 146 T CA -0.418 61.719 62.100 0.061 0.000 1.371 146 T CB -0.444 68.457 68.868 0.054 0.000 1.002 146 T HN 0.259 nan 8.240 nan 0.000 0.637 147 F N 2.684 122.655 119.950 0.034 0.000 2.373 147 F HA -0.066 4.461 4.527 0.000 0.000 0.300 147 F C 2.564 178.417 175.800 0.088 0.000 1.080 147 F CA 0.628 58.617 58.000 -0.019 0.000 1.417 147 F CB -0.400 38.504 39.000 -0.160 0.000 1.070 147 F HN 0.604 nan 8.300 nan 0.000 0.546 148 S N 0.552 116.498 115.700 0.409 0.000 2.419 148 S HA -0.240 4.230 4.470 0.000 0.000 0.235 148 S C 1.822 176.746 174.600 0.539 0.000 1.019 148 S CA 1.293 59.824 58.200 0.551 0.000 0.982 148 S CB -0.750 62.755 63.200 0.509 0.000 0.789 148 S HN 0.647 nan 8.310 nan 0.000 0.490 149 K N -0.325 120.276 120.400 0.335 0.000 2.444 149 K HA 0.219 4.539 4.320 0.000 0.000 0.193 149 K C 1.038 177.779 176.600 0.234 0.000 1.024 149 K CA 0.107 56.549 56.287 0.258 0.000 1.077 149 K CB -0.026 32.558 32.500 0.139 0.000 0.833 149 K HN 0.356 nan 8.250 nan 0.000 0.517 150 M N 1.309 121.069 119.600 0.267 0.000 2.412 150 M HA 0.302 4.782 4.480 0.000 0.000 0.315 150 M C -0.419 175.947 176.300 0.111 0.000 1.092 150 M CA -0.113 55.318 55.300 0.217 0.000 0.974 150 M CB 0.369 33.182 32.600 0.357 0.000 1.437 150 M HN 0.085 nan 8.290 nan 0.000 0.524 151 L N 0.444 121.702 121.223 0.057 0.000 2.334 151 L HA 0.351 4.691 4.340 0.000 0.000 0.275 151 L C 0.165 176.963 176.870 -0.120 0.000 1.036 151 L CA -0.696 54.023 54.840 -0.200 0.000 0.807 151 L CB 1.381 43.027 42.059 -0.687 0.000 1.231 151 L HN -0.051 nan 8.230 nan 0.000 0.438 152 D N 1.219 121.546 120.400 -0.122 0.000 2.402 152 D HA 0.050 4.690 4.640 0.000 0.000 0.235 152 D C 0.229 176.493 176.300 -0.059 0.000 1.226 152 D CA -0.123 53.867 54.000 -0.018 0.000 0.918 152 D CB 0.409 41.207 40.800 -0.003 0.000 1.043 152 D HN 0.272 nan 8.370 nan 0.000 0.506 153 W N 2.024 123.346 121.300 0.037 0.000 2.961 153 W HA 0.007 4.667 4.660 0.000 0.000 0.240 153 W C 2.262 178.788 176.519 0.013 0.000 1.305 153 W CA 0.661 58.024 57.345 0.030 0.000 1.465 153 W CB -0.070 29.408 29.460 0.030 0.000 1.135 153 W HN 0.465 nan 8.180 nan 0.000 0.688 154 T N -3.637 111.010 114.554 0.154 0.000 3.054 154 T HA -0.055 4.295 4.350 0.000 0.000 0.259 154 T C 0.415 175.133 174.700 0.030 0.000 1.092 154 T CA 0.351 62.502 62.100 0.085 0.000 1.121 154 T CB -0.059 68.846 68.868 0.062 0.000 0.912 154 T HN -0.089 nan 8.240 nan 0.000 0.489 155 D N 1.650 122.053 120.400 0.005 0.000 2.396 155 D HA 0.225 4.865 4.640 0.000 0.000 0.225 155 D C 1.421 177.695 176.300 -0.042 0.000 1.121 155 D CA -0.922 53.064 54.000 -0.023 0.000 0.853 155 D CB 1.121 41.906 40.800 -0.026 0.000 1.043 155 D HN 0.427 nan 8.370 nan 0.000 0.500 156 R N 1.963 122.439 120.500 -0.040 0.000 2.236 156 R HA -0.004 4.336 4.340 0.000 0.000 0.208 156 R C 1.238 177.569 176.300 0.051 0.000 1.036 156 R CA 0.332 56.414 56.100 -0.030 0.000 1.001 156 R CB -0.260 29.956 30.300 -0.140 0.000 0.896 156 R HN 0.204 nan 8.270 nan 0.000 0.464 157 S N 1.115 116.850 115.700 0.058 0.000 2.365 157 S HA -0.206 4.264 4.470 0.000 0.000 0.225 157 S C 1.984 176.586 174.600 0.004 0.000 1.039 157 S CA 2.232 60.490 58.200 0.096 0.000 1.033 157 S CB -0.346 62.885 63.200 0.051 0.000 0.887 157 S HN 0.744 nan 8.310 nan 0.000 0.447 158 T N -0.935 113.582 114.554 -0.062 0.000 3.038 158 T HA 0.426 4.776 4.350 0.000 0.000 0.244 158 T C 1.802 176.363 174.700 -0.231 0.000 1.016 158 T CA 0.470 62.484 62.100 -0.144 0.000 1.098 158 T CB -0.353 68.476 68.868 -0.066 0.000 0.954 158 T HN 0.297 nan 8.240 nan 0.000 0.469 159 A N 1.705 124.376 122.820 -0.250 0.000 2.216 159 A HA 0.262 4.582 4.320 0.000 0.000 0.214 159 A C 2.248 179.631 177.584 -0.334 0.000 1.160 159 A CA 1.180 52.928 52.037 -0.481 0.000 0.725 159 A CB -0.859 17.793 19.000 -0.581 0.000 0.784 159 A HN 0.929 nan 8.150 nan 0.000 0.472 160 V N -3.787 116.040 119.914 -0.145 0.000 3.621 160 V HA 0.255 4.375 4.120 0.000 0.000 0.285 160 V C 1.485 177.515 176.094 -0.106 0.000 1.346 160 V CA 0.532 62.811 62.300 -0.035 0.000 1.104 160 V CB -0.524 31.348 31.823 0.081 0.000 0.913 160 V HN 0.391 nan 8.190 nan 0.000 0.432 161 L N -1.015 120.039 121.223 -0.281 0.000 2.221 161 L HA 0.371 4.711 4.340 0.000 0.000 0.202 161 L C 0.869 177.505 176.870 -0.390 0.000 1.074 161 L CA 0.802 55.364 54.840 -0.463 0.000 0.795 161 L CB -0.164 41.351 42.059 -0.906 0.000 0.960 161 L HN 0.259 nan 8.230 nan 0.000 0.458 162 F N -0.028 119.885 119.950 -0.061 0.000 2.397 162 F HA 0.561 5.088 4.527 0.000 0.000 0.331 162 F C 0.845 176.704 175.800 0.099 0.000 1.090 162 F CA -0.765 57.236 58.000 0.003 0.000 1.065 162 F CB 1.404 40.339 39.000 -0.109 0.000 1.184 162 F HN -0.186 nan 8.300 nan 0.000 0.499 163 G N 0.793 109.815 108.800 0.370 0.000 2.788 163 G HA2 0.542 4.502 3.960 0.000 0.000 0.293 163 G HA3 0.542 4.502 3.960 0.000 0.000 0.293 163 G C -1.816 173.253 174.900 0.282 0.000 1.305 163 G CA -0.678 44.599 45.100 0.296 0.000 1.005 163 G HN 0.432 nan 8.290 nan 0.000 0.496 164 D N -1.143 119.389 120.400 0.221 0.000 2.299 164 D HA 0.743 5.383 4.640 0.000 0.000 0.243 164 D C 0.426 176.791 176.300 0.109 0.000 0.982 164 D CA 0.478 54.579 54.000 0.169 0.000 0.924 164 D CB 1.819 42.716 40.800 0.161 0.000 1.238 164 D HN 0.934 nan 8.370 nan 0.000 0.484 165 G N -1.196 107.652 108.800 0.080 0.000 2.350 165 G HA2 0.594 4.554 3.960 0.000 0.000 0.305 165 G HA3 0.594 4.554 3.960 0.000 0.000 0.305 165 G C -1.863 173.057 174.900 0.032 0.000 1.479 165 G CA -0.175 44.946 45.100 0.035 0.000 0.949 165 G HN 0.643 nan 8.290 nan 0.000 0.651 166 A N -0.824 122.019 122.820 0.038 0.000 2.566 166 A HA 1.235 5.555 4.320 0.000 0.000 0.292 166 A C -0.025 177.557 177.584 -0.004 0.000 1.112 166 A CA 0.213 52.266 52.037 0.027 0.000 0.707 166 A CB 1.482 20.520 19.000 0.064 0.000 1.302 166 A HN 2.754 nan 8.150 nan 0.000 0.409 167 A N -1.033 121.773 122.820 -0.023 0.000 2.564 167 A HA 0.977 5.297 4.320 0.000 0.000 0.291 167 A C -0.186 177.396 177.584 -0.004 0.000 1.102 167 A CA 0.066 52.078 52.037 -0.043 0.000 0.660 167 A CB 0.809 19.730 19.000 -0.133 0.000 1.283 167 A HN 2.621 nan 8.150 nan 0.000 0.430 168 G N -1.750 107.063 108.800 0.022 0.000 2.561 168 G HA2 0.771 4.731 3.960 0.000 0.000 0.310 168 G HA3 0.771 4.731 3.960 0.000 0.000 0.310 168 G C -1.026 173.961 174.900 0.146 0.000 1.292 168 G CA 0.434 45.623 45.100 0.148 0.000 0.811 168 G HN 2.192 nan 8.290 nan 0.000 0.482 169 V N -2.249 117.781 119.914 0.193 0.000 3.078 169 V HA 0.838 4.958 4.120 0.000 0.000 0.311 169 V C -0.582 175.547 176.094 0.058 0.000 1.138 169 V CA -1.127 61.252 62.300 0.132 0.000 1.007 169 V CB 1.745 33.690 31.823 0.203 0.000 1.045 169 V HN 0.972 nan 8.190 nan 0.000 0.432 170 L N 3.175 124.412 121.223 0.024 0.000 2.292 170 L HA 0.676 5.016 4.340 0.000 0.000 0.284 170 L C -0.618 176.248 176.870 -0.006 0.000 1.065 170 L CA -0.598 54.227 54.840 -0.025 0.000 0.806 170 L CB 1.124 43.161 42.059 -0.035 0.000 1.175 170 L HN 0.872 nan 8.230 nan 0.000 0.431 171 I N 5.273 125.817 120.570 -0.043 0.000 2.545 171 I HA 0.451 4.621 4.170 0.000 0.000 0.292 171 I C -1.179 174.911 176.117 -0.045 0.000 1.040 171 I CA -0.156 61.146 61.300 0.002 0.000 1.068 171 I CB 1.726 39.757 38.000 0.051 0.000 1.251 171 I HN 0.799 nan 8.210 nan 0.000 0.424 172 E N 6.198 126.392 120.200 -0.011 0.000 2.413 172 E HA 0.656 5.006 4.350 0.000 0.000 0.277 172 E C -1.365 175.242 176.600 0.011 0.000 0.958 172 E CA -1.164 55.226 56.400 -0.015 0.000 0.779 172 E CB 1.665 31.347 29.700 -0.029 0.000 1.278 172 E HN 0.649 nan 8.360 nan 0.000 0.456 173 A N 0.974 123.806 122.820 0.021 0.000 2.498 173 A HA 0.552 4.872 4.320 0.000 0.000 0.239 173 A C -0.122 177.490 177.584 0.046 0.000 1.068 173 A CA 0.568 52.625 52.037 0.033 0.000 0.766 173 A CB 0.117 19.127 19.000 0.017 0.000 1.003 173 A HN 0.809 nan 8.150 nan 0.000 0.497 174 A N 1.323 124.200 122.820 0.096 0.000 2.587 174 A HA 0.652 4.972 4.320 0.000 0.000 0.293 174 A C 0.214 177.933 177.584 0.226 0.000 1.087 174 A CA -0.350 51.771 52.037 0.139 0.000 0.692 174 A CB 0.819 19.897 19.000 0.130 0.000 1.291 174 A HN 0.787 nan 8.150 nan 0.000 0.407 175 E N -0.198 120.130 120.200 0.213 0.000 2.358 175 E HA 0.030 4.380 4.350 0.000 0.000 0.195 175 E C 0.514 177.345 176.600 0.386 0.000 1.010 175 E CA 1.411 57.950 56.400 0.231 0.000 0.856 175 E CB 0.202 29.988 29.700 0.143 0.000 0.795 175 E HN 0.758 nan 8.360 nan 0.000 0.504 176 T N -0.837 113.942 114.554 0.375 0.000 2.841 176 T HA 0.428 4.778 4.350 0.000 0.000 0.283 176 T C -2.817 171.934 174.700 0.086 0.000 1.000 176 T CA -2.551 59.658 62.100 0.182 0.000 0.977 176 T CB 2.003 70.910 68.868 0.065 0.000 0.979 176 T HN -0.245 nan 8.240 nan 0.000 0.446 177 P HA 0.261 nan 4.420 nan 0.000 0.268 177 P C -0.530 176.701 177.300 -0.115 0.000 1.205 177 P CA 0.021 62.814 63.100 -0.512 0.000 0.771 177 P CB 0.844 32.041 31.700 -0.837 0.000 0.858 178 H N 0.750 119.860 119.070 0.066 0.000 2.824 178 H HA 0.301 4.857 4.556 0.000 0.000 0.238 178 H C 0.050 175.388 175.328 0.017 0.000 0.931 178 H CA 0.188 56.268 56.048 0.054 0.000 1.090 178 H CB -0.399 29.419 29.762 0.094 0.000 1.433 178 H HN 0.274 nan 8.280 nan 0.000 0.437 179 F N 1.832 121.866 119.950 0.141 0.000 2.468 179 F HA 0.046 4.573 4.527 0.000 0.000 0.356 179 F C 0.509 176.335 175.800 0.043 0.000 1.167 179 F CA -0.470 57.583 58.000 0.088 0.000 1.135 179 F CB 0.690 39.746 39.000 0.092 0.000 1.197 179 F HN 0.064 nan 8.300 nan 0.000 0.569 180 L N 1.985 123.272 121.223 0.107 0.000 2.189 180 L HA 0.153 4.493 4.340 0.000 0.000 0.199 180 L C 0.631 177.540 176.870 0.065 0.000 1.074 180 L CA 0.836 55.709 54.840 0.055 0.000 0.783 180 L CB -1.020 41.040 42.059 0.001 0.000 0.955 180 L HN 0.527 nan 8.230 nan 0.000 0.460 181 N N -1.349 117.390 118.700 0.066 0.000 2.934 181 N HA 0.440 5.180 4.740 0.000 0.000 0.253 181 N C -1.621 173.931 175.510 0.069 0.000 1.466 181 N CA -0.549 52.537 53.050 0.062 0.000 0.858 181 N CB 1.791 40.302 38.487 0.039 0.000 1.459 181 N HN 0.189 nan 8.380 nan 0.000 0.532 182 E N -0.340 119.893 120.200 0.054 0.000 2.416 182 E HA 0.476 4.826 4.350 0.000 0.000 0.280 182 E C -1.716 174.895 176.600 0.019 0.000 1.055 182 E CA -0.910 55.518 56.400 0.047 0.000 0.825 182 E CB 2.028 31.758 29.700 0.049 0.000 1.312 182 E HN 0.399 nan 8.360 nan 0.000 0.452 183 K N 2.107 122.512 120.400 0.008 0.000 2.565 183 K HA 0.446 4.766 4.320 0.000 0.000 0.251 183 K C -1.951 174.599 176.600 -0.083 0.000 0.956 183 K CA -0.495 55.775 56.287 -0.028 0.000 0.809 183 K CB 1.468 33.974 32.500 0.010 0.000 1.267 183 K HN 0.583 nan 8.250 nan 0.000 0.438 184 L N 3.950 125.068 121.223 -0.175 0.000 2.346 184 L HA 0.578 4.918 4.340 0.000 0.000 0.276 184 L C -0.506 176.154 176.870 -0.350 0.000 1.006 184 L CA -0.861 53.807 54.840 -0.286 0.000 0.817 184 L CB 2.036 43.807 42.059 -0.481 0.000 1.272 184 L HN 0.695 nan 8.230 nan 0.000 0.421 185 Q N 1.698 121.200 119.800 -0.497 0.000 2.565 185 Q HA 0.901 5.241 4.340 0.000 0.000 0.294 185 Q C -1.393 174.204 176.000 -0.672 0.000 1.005 185 Q CA -0.952 54.374 55.803 -0.796 0.000 0.771 185 Q CB 3.205 31.000 28.738 -1.573 0.000 1.486 185 Q HN 0.748 nan 8.270 nan 0.000 0.422 186 A N 0.687 123.213 122.820 -0.490 0.000 2.601 186 A HA 0.634 4.954 4.320 0.000 0.000 0.291 186 A C -2.003 175.716 177.584 0.225 0.000 1.075 186 A CA -0.462 51.568 52.037 -0.012 0.000 0.671 186 A CB 2.016 21.075 19.000 0.099 0.000 1.277 186 A HN 0.652 nan 8.150 nan 0.000 0.417 187 D N 0.053 120.668 120.400 0.357 0.000 2.381 187 D HA 0.425 5.065 4.640 0.000 0.000 0.245 187 D C 0.970 177.389 176.300 0.198 0.000 1.297 187 D CA 0.486 54.657 54.000 0.286 0.000 0.931 187 D CB 0.700 41.703 40.800 0.339 0.000 1.334 187 D HN 0.716 nan 8.370 nan 0.000 0.535 188 G N 1.360 110.276 108.800 0.192 0.000 2.509 188 G HA2 -0.215 3.745 3.960 0.000 0.000 0.218 188 G HA3 -0.215 3.745 3.960 0.000 0.000 0.218 188 G C 1.033 176.098 174.900 0.276 0.000 1.124 188 G CA 0.383 45.631 45.100 0.247 0.000 0.776 188 G HN 0.476 nan 8.290 nan 0.000 0.547 189 Q N -0.465 119.437 119.800 0.171 0.000 2.515 189 Q HA 0.086 4.426 4.340 0.000 0.000 0.212 189 Q C 1.485 177.498 176.000 0.022 0.000 0.970 189 Q CA 0.353 56.219 55.803 0.104 0.000 0.941 189 Q CB 0.143 28.933 28.738 0.087 0.000 0.998 189 Q HN 0.366 nan 8.270 nan 0.000 0.518 190 R N -0.039 120.476 120.500 0.025 0.000 2.662 190 R HA 0.055 4.395 4.340 0.000 0.000 0.396 190 R C 1.235 177.508 176.300 -0.045 0.000 1.096 190 R CA -0.259 55.800 56.100 -0.068 0.000 1.081 190 R CB 0.201 30.439 30.300 -0.103 0.000 1.382 190 R HN 0.421 nan 8.270 nan 0.000 0.580 191 W N 0.105 121.401 121.300 -0.007 0.000 2.363 191 W HA -0.098 4.562 4.660 0.000 0.000 0.296 191 W C 1.054 177.577 176.519 0.006 0.000 1.212 191 W CA 1.081 58.427 57.345 0.002 0.000 1.260 191 W CB -0.525 28.949 29.460 0.023 0.000 1.131 191 W HN 0.031 nan 8.180 nan 0.000 0.530 192 A N 1.680 124.058 122.820 -0.736 0.000 2.186 192 A HA 0.075 4.395 4.320 0.000 0.000 0.219 192 A C 2.136 179.589 177.584 -0.218 0.000 1.159 192 A CA 2.065 53.617 52.037 -0.809 0.000 0.680 192 A CB -0.930 17.484 19.000 -0.977 0.000 0.787 192 A HN 0.430 nan 8.150 nan 0.000 0.467 193 A N -1.907 120.847 122.820 -0.111 0.000 2.278 193 A HA 0.519 4.839 4.320 0.000 0.000 0.212 193 A C 0.260 177.867 177.584 0.038 0.000 1.213 193 A CA 0.337 52.347 52.037 -0.044 0.000 0.840 193 A CB -0.105 18.859 19.000 -0.060 0.000 0.866 193 A HN 0.872 nan 8.150 nan 0.000 0.489 194 L N -0.009 121.273 121.223 0.097 0.000 2.973 194 L HA 0.395 4.735 4.340 0.000 0.000 0.254 194 L C -0.684 176.297 176.870 0.185 0.000 0.947 194 L CA 0.531 55.453 54.840 0.136 0.000 1.064 194 L CB 1.255 43.399 42.059 0.141 0.000 1.534 194 L HN 0.238 nan 8.230 nan 0.000 0.504 195 T N 0.554 115.214 114.554 0.177 0.000 2.916 195 T HA 1.001 5.351 4.350 0.000 0.000 0.305 195 T C -0.622 174.183 174.700 0.175 0.000 1.119 195 T CA -0.064 62.161 62.100 0.208 0.000 1.008 195 T CB 2.058 71.088 68.868 0.269 0.000 1.129 195 T HN 1.028 nan 8.240 nan 0.000 0.480 196 S N -0.340 115.467 115.700 0.179 0.000 2.567 196 S HA 0.714 5.185 4.470 0.000 0.000 0.270 196 S C 0.590 175.276 174.600 0.144 0.000 1.152 196 S CA -0.232 58.075 58.200 0.178 0.000 0.835 196 S CB 0.952 64.309 63.200 0.261 0.000 1.115 196 S HN 2.557 nan 8.310 nan 0.000 0.459 197 G N 0.016 108.895 108.800 0.133 0.000 2.137 197 G HA2 -0.261 3.699 3.960 0.000 0.000 0.237 197 G HA3 -0.261 3.699 3.960 0.000 0.000 0.237 197 G C -0.225 174.720 174.900 0.074 0.000 1.002 197 G CA 0.172 45.318 45.100 0.075 0.000 0.702 197 G HN 1.435 nan 8.290 nan 0.000 0.515 198 Y N 1.639 121.952 120.300 0.022 0.000 2.620 198 Y HA 0.437 4.987 4.550 0.000 0.000 0.330 198 Y C 0.923 176.819 175.900 -0.007 0.000 1.186 198 Y CA 0.971 59.075 58.100 0.008 0.000 1.467 198 Y CB 0.879 39.358 38.460 0.032 0.000 1.262 198 Y HN 0.330 nan 8.280 nan 0.000 0.550 199 T N 7.895 122.070 114.554 -0.633 0.000 2.779 199 T HA 0.453 4.803 4.350 0.000 0.000 0.280 199 T C -0.272 174.079 174.700 -0.583 0.000 0.987 199 T CA -1.045 60.801 62.100 -0.422 0.000 0.966 199 T CB -0.243 68.459 68.868 -0.277 0.000 0.933 199 T HN 0.660 nan 8.240 nan 0.000 0.442 200 I N 2.997 123.435 120.570 -0.219 0.000 2.648 200 I HA 0.369 4.539 4.170 0.000 0.000 0.284 200 I C 0.249 176.231 176.117 -0.225 0.000 1.153 200 I CA -0.530 60.697 61.300 -0.122 0.000 1.426 200 I CB 0.451 38.448 38.000 -0.006 0.000 1.381 200 I HN 0.529 nan 8.210 nan 0.000 0.571 201 N N 6.277 124.765 118.700 -0.353 0.000 2.439 201 N HA 0.056 4.796 4.740 0.000 0.000 0.243 201 N C -0.010 175.332 175.510 -0.281 0.000 1.088 201 N CA -0.393 52.452 53.050 -0.341 0.000 0.940 201 N CB 0.452 38.659 38.487 -0.467 0.000 1.180 201 N HN 0.753 nan 8.380 nan 0.000 0.505 202 E N 1.153 121.291 120.200 -0.103 0.000 2.651 202 E HA 0.083 4.433 4.350 0.000 0.000 0.213 202 E C -0.211 176.404 176.600 0.025 0.000 1.028 202 E CA -0.602 55.786 56.400 -0.021 0.000 1.183 202 E CB -0.245 29.448 29.700 -0.011 0.000 1.188 202 E HN 0.481 nan 8.360 nan 0.000 0.444 203 S N 1.659 117.397 115.700 0.063 0.000 2.579 203 S HA 0.094 4.564 4.470 0.000 0.000 0.275 203 S C -0.982 173.652 174.600 0.057 0.000 1.345 203 S CA -0.993 57.267 58.200 0.100 0.000 1.031 203 S CB 0.800 64.130 63.200 0.218 0.000 0.892 203 S HN 0.016 nan 8.310 nan 0.000 0.529 204 P HA -0.049 nan 4.420 nan 0.000 0.229 204 P C 0.442 177.536 177.300 -0.343 0.000 1.150 204 P CA 1.023 63.960 63.100 -0.271 0.000 0.765 204 P CB -0.199 31.231 31.700 -0.449 0.000 0.783 205 F N -2.774 117.215 119.950 0.064 0.000 2.746 205 F HA 0.161 4.688 4.527 0.000 0.000 0.297 205 F C 1.230 177.062 175.800 0.054 0.000 1.113 205 F CA -0.566 57.462 58.000 0.046 0.000 1.367 205 F CB -0.774 38.250 39.000 0.040 0.000 1.111 205 F HN -0.206 nan 8.300 nan 0.000 0.590 206 Y N 3.677 124.051 120.300 0.122 0.000 2.587 206 Y HA 0.079 4.629 4.550 0.000 0.000 0.344 206 Y C 1.360 177.255 175.900 -0.007 0.000 1.061 206 Y CA -0.426 57.709 58.100 0.059 0.000 1.370 206 Y CB 0.174 38.663 38.460 0.049 0.000 1.163 206 Y HN 0.278 nan 8.280 nan 0.000 0.527 207 Q N 3.756 123.252 119.800 -0.506 0.000 2.171 207 Q HA 0.299 4.639 4.340 0.000 0.000 0.218 207 Q C 0.740 176.319 176.000 -0.702 0.000 0.822 207 Q CA 0.028 55.564 55.803 -0.445 0.000 0.987 207 Q CB 0.457 29.055 28.738 -0.232 0.000 1.144 207 Q HN 0.790 nan 8.270 nan 0.000 0.494 208 G N 0.937 109.009 108.800 -1.213 0.000 2.441 208 G HA2 0.016 3.976 3.960 0.000 0.000 0.258 208 G HA3 0.016 3.976 3.960 0.000 0.000 0.258 208 G C -0.364 174.214 174.900 -0.537 0.000 1.487 208 G CA -0.119 44.487 45.100 -0.824 0.000 1.058 208 G HN 0.538 nan 8.290 nan 0.000 0.552 209 H N -1.392 117.772 119.070 0.158 0.000 3.043 209 H HA 0.206 4.762 4.556 0.000 0.000 0.244 209 H C -0.284 175.205 175.328 0.268 0.000 1.199 209 H CA -0.445 55.751 56.048 0.246 0.000 0.956 209 H CB 0.517 30.345 29.762 0.109 0.000 2.305 209 H HN 0.180 nan 8.280 nan 0.000 0.665 210 K N 2.303 122.990 120.400 0.478 0.000 2.351 210 K HA 0.070 4.390 4.320 0.000 0.000 0.287 210 K C -0.115 176.585 176.600 0.166 0.000 1.068 210 K CA 0.253 56.695 56.287 0.258 0.000 0.998 210 K CB 0.637 33.311 32.500 0.290 0.000 0.968 210 K HN 0.380 nan 8.250 nan 0.000 0.464 211 Q N 0.751 120.606 119.800 0.092 0.000 2.241 211 Q HA 0.612 4.952 4.340 0.000 0.000 0.262 211 Q C 0.029 176.011 176.000 -0.029 0.000 1.014 211 Q CA -0.749 55.095 55.803 0.069 0.000 0.885 211 Q CB 1.895 30.674 28.738 0.068 0.000 1.311 211 Q HN 0.685 nan 8.270 nan 0.000 0.461 212 A N 0.450 123.284 122.820 0.023 0.000 2.372 212 A HA 0.198 4.518 4.320 0.000 0.000 0.212 212 A C -0.490 177.164 177.584 0.115 0.000 2.259 212 A CA -0.104 51.995 52.037 0.104 0.000 1.442 212 A CB 0.336 19.380 19.000 0.074 0.000 0.810 212 A HN 0.361 nan 8.150 nan 0.000 0.515 213 S N 0.349 116.124 115.700 0.125 0.000 2.619 213 S HA 0.454 4.924 4.470 0.000 0.000 0.280 213 S C 0.609 175.298 174.600 0.148 0.000 1.150 213 S CA 0.084 58.353 58.200 0.114 0.000 0.978 213 S CB 1.055 64.297 63.200 0.071 0.000 1.041 213 S HN 0.468 nan 8.310 nan 0.000 0.485 214 K N 1.610 122.090 120.400 0.132 0.000 2.486 214 K HA 0.068 4.388 4.320 0.000 0.000 0.194 214 K C 0.730 177.402 176.600 0.121 0.000 1.033 214 K CA 0.475 56.841 56.287 0.131 0.000 1.004 214 K CB -0.652 31.904 32.500 0.092 0.000 0.798 214 K HN 0.603 nan 8.250 nan 0.000 0.495 215 T N -0.027 114.587 114.554 0.099 0.000 2.919 215 T HA 0.174 4.524 4.350 0.000 0.000 0.302 215 T C 0.194 174.936 174.700 0.069 0.000 1.031 215 T CA -1.001 61.146 62.100 0.078 0.000 1.127 215 T CB 0.977 69.878 68.868 0.056 0.000 0.952 215 T HN 0.261 nan 8.240 nan 0.000 0.540 216 L N 2.307 123.554 121.223 0.040 0.000 2.490 216 L HA 0.229 4.569 4.340 0.000 0.000 0.274 216 L C 0.085 176.971 176.870 0.026 0.000 1.201 216 L CA 0.183 55.034 54.840 0.018 0.000 0.869 216 L CB 0.332 42.308 42.059 -0.138 0.000 1.123 216 L HN 0.767 nan 8.230 nan 0.000 0.484 217 Q N 6.322 126.155 119.800 0.054 0.000 2.323 217 Q HA 0.540 4.880 4.340 0.000 0.000 0.271 217 Q C -1.033 175.007 176.000 0.066 0.000 1.048 217 Q CA -0.520 55.312 55.803 0.049 0.000 0.792 217 Q CB 2.397 31.161 28.738 0.043 0.000 1.280 217 Q HN 0.703 nan 8.270 nan 0.000 0.441 218 M N -0.078 119.559 119.600 0.063 0.000 2.464 218 M HA 0.574 5.054 4.480 0.000 0.000 0.308 218 M C -1.281 175.051 176.300 0.053 0.000 1.127 218 M CA -0.693 54.654 55.300 0.078 0.000 0.913 218 M CB 2.291 34.960 32.600 0.116 0.000 1.689 218 M HN 0.369 nan 8.290 nan 0.000 0.445 219 E N 2.406 122.637 120.200 0.050 0.000 1.963 219 E HA 0.270 4.620 4.350 0.000 0.000 0.274 219 E C 1.003 177.643 176.600 0.066 0.000 1.061 219 E CA -0.319 56.104 56.400 0.038 0.000 0.847 219 E CB 1.186 30.896 29.700 0.016 0.000 1.083 219 E HN 1.011 nan 8.360 nan 0.000 0.402 220 G N 3.011 111.845 108.800 0.056 0.000 2.440 220 G HA2 -0.329 3.631 3.960 0.000 0.000 0.218 220 G HA3 -0.329 3.631 3.960 0.000 0.000 0.218 220 G C 1.653 176.621 174.900 0.113 0.000 1.154 220 G CA 0.635 45.779 45.100 0.073 0.000 0.767 220 G HN 0.339 nan 8.290 nan 0.000 0.552 221 R N 1.150 121.693 120.500 0.072 0.000 2.081 221 R HA 0.001 4.341 4.340 0.000 0.000 0.235 221 R C 2.649 179.036 176.300 0.145 0.000 1.131 221 R CA 2.127 58.286 56.100 0.098 0.000 0.960 221 R CB -0.838 29.488 30.300 0.044 0.000 0.856 221 R HN 0.277 nan 8.270 nan 0.000 0.436 222 S N 0.826 116.588 115.700 0.104 0.000 2.368 222 S HA -0.072 4.398 4.470 0.000 0.000 0.224 222 S C 1.843 176.537 174.600 0.156 0.000 1.029 222 S CA 1.393 59.650 58.200 0.094 0.000 0.988 222 S CB -0.421 62.801 63.200 0.038 0.000 0.838 222 S HN 0.647 nan 8.310 nan 0.000 0.462 223 I N -1.763 118.920 120.570 0.188 0.000 3.251 223 I HA 0.168 4.338 4.170 0.000 0.000 0.277 223 I C 1.949 178.259 176.117 0.322 0.000 1.268 223 I CA 0.622 62.093 61.300 0.284 0.000 1.449 223 I CB -0.286 37.867 38.000 0.255 0.000 1.083 223 I HN 0.090 nan 8.210 nan 0.000 0.464 224 F N 2.969 122.985 119.950 0.109 0.000 2.118 224 F HA -0.085 4.442 4.527 0.000 0.000 0.293 224 F C 2.000 177.791 175.800 -0.015 0.000 1.102 224 F CA 1.701 59.726 58.000 0.041 0.000 1.247 224 F CB -0.217 38.788 39.000 0.008 0.000 1.017 224 F HN 0.016 nan 8.300 nan 0.000 0.475 225 D N 0.241 120.666 120.400 0.042 0.000 2.097 225 D HA -0.241 4.399 4.640 0.000 0.000 0.195 225 D C 2.148 178.344 176.300 -0.172 0.000 0.989 225 D CA 1.718 55.665 54.000 -0.088 0.000 0.827 225 D CB -1.123 39.703 40.800 0.044 0.000 0.966 225 D HN 0.392 nan 8.370 nan 0.000 0.456 226 F N 1.885 121.731 119.950 -0.174 0.000 2.063 226 F HA -0.347 4.180 4.527 0.000 0.000 0.298 226 F C 2.202 177.777 175.800 -0.375 0.000 1.105 226 F CA 2.473 60.329 58.000 -0.240 0.000 1.215 226 F CB -0.238 38.664 39.000 -0.163 0.000 0.972 226 F HN -0.028 nan 8.300 nan 0.000 0.483 227 A N 1.143 123.455 122.820 -0.846 0.000 1.883 227 A HA -0.164 4.156 4.320 0.000 0.000 0.217 227 A C 2.177 179.204 177.584 -0.928 0.000 1.186 227 A CA 1.941 53.310 52.037 -1.112 0.000 0.624 227 A CB -1.062 17.503 19.000 -0.724 0.000 0.822 227 A HN 0.493 nan 8.150 nan 0.000 0.444 228 I N 0.125 120.261 120.570 -0.725 0.000 2.127 228 I HA -0.229 3.941 4.170 0.000 0.000 0.241 228 I C 2.385 178.230 176.117 -0.454 0.000 1.075 228 I CA 2.076 63.032 61.300 -0.574 0.000 1.334 228 I CB -1.287 36.384 38.000 -0.548 0.000 1.040 228 I HN 0.479 nan 8.210 nan 0.000 0.405 229 K N 0.912 121.059 120.400 -0.422 0.000 1.967 229 K HA -0.183 4.137 4.320 0.000 0.000 0.212 229 K C 1.803 178.170 176.600 -0.387 0.000 1.044 229 K CA 1.826 57.919 56.287 -0.323 0.000 0.942 229 K CB -0.086 32.272 32.500 -0.237 0.000 0.726 229 K HN 0.236 nan 8.250 nan 0.000 0.440 230 D N 0.306 120.342 120.400 -0.607 0.000 2.117 230 D HA -0.127 4.513 4.640 0.000 0.000 0.198 230 D C 2.051 177.997 176.300 -0.589 0.000 0.982 230 D CA 1.246 54.839 54.000 -0.679 0.000 0.828 230 D CB 0.003 40.037 40.800 -1.276 0.000 0.967 230 D HN 0.093 nan 8.370 nan 0.000 0.464 231 V N 1.206 120.674 119.914 -0.742 0.000 2.407 231 V HA -0.198 3.922 4.120 0.000 0.000 0.248 231 V C 2.589 178.579 176.094 -0.173 0.000 1.055 231 V CA 1.347 63.396 62.300 -0.418 0.000 1.049 231 V CB -0.459 30.963 31.823 -0.668 0.000 0.662 231 V HN 0.104 nan 8.190 nan 0.000 0.455 232 S N -0.822 114.742 115.700 -0.227 0.000 2.353 232 S HA -0.262 4.208 4.470 0.000 0.000 0.222 232 S C 2.074 176.654 174.600 -0.034 0.000 1.035 232 S CA 1.412 59.547 58.200 -0.108 0.000 1.025 232 S CB -0.366 62.748 63.200 -0.143 0.000 0.902 232 S HN 0.485 nan 8.310 nan 0.000 0.440 233 Q N 1.663 121.435 119.800 -0.046 0.000 2.061 233 Q HA -0.090 4.250 4.340 0.000 0.000 0.204 233 Q C 2.081 178.132 176.000 0.086 0.000 0.984 233 Q CA 1.184 57.001 55.803 0.023 0.000 0.846 233 Q CB -0.973 27.785 28.738 0.034 0.000 0.902 233 Q HN 0.529 nan 8.270 nan 0.000 0.421 234 N N 0.210 118.996 118.700 0.144 0.000 2.036 234 N HA -0.165 4.575 4.740 0.000 0.000 0.195 234 N C 1.891 177.493 175.510 0.154 0.000 1.037 234 N CA 1.580 54.766 53.050 0.228 0.000 0.855 234 N CB -0.181 38.553 38.487 0.412 0.000 1.033 234 N HN 0.265 nan 8.380 nan 0.000 0.423 235 I N 1.091 121.741 120.570 0.133 0.000 2.361 235 I HA -0.234 3.936 4.170 0.000 0.000 0.251 235 I C 2.047 178.212 176.117 0.080 0.000 1.133 235 I CA 0.672 62.041 61.300 0.115 0.000 1.413 235 I CB -0.151 37.927 38.000 0.131 0.000 1.073 235 I HN 0.169 nan 8.210 nan 0.000 0.424 236 L N -0.292 120.973 121.223 0.070 0.000 2.395 236 L HA -0.075 4.265 4.340 0.000 0.000 0.218 236 L C 2.413 179.313 176.870 0.049 0.000 1.130 236 L CA 0.508 55.379 54.840 0.051 0.000 0.826 236 L CB -0.312 41.770 42.059 0.039 0.000 0.941 236 L HN 0.134 nan 8.230 nan 0.000 0.451 237 S N -0.259 115.479 115.700 0.064 0.000 2.453 237 S HA 0.015 4.485 4.470 0.000 0.000 0.231 237 S C 1.799 176.427 174.600 0.047 0.000 1.005 237 S CA 0.883 59.118 58.200 0.058 0.000 0.949 237 S CB 0.122 63.367 63.200 0.075 0.000 0.774 237 S HN 0.341 nan 8.310 nan 0.000 0.510 238 L N 0.172 121.424 121.223 0.049 0.000 2.445 238 L HA 0.295 4.635 4.340 0.000 0.000 0.207 238 L C 0.766 177.650 176.870 0.023 0.000 1.053 238 L CA 0.176 55.038 54.840 0.038 0.000 0.841 238 L CB 0.073 42.159 42.059 0.046 0.000 1.074 238 L HN 0.236 nan 8.230 nan 0.000 0.479 239 V N -3.445 116.481 119.914 0.020 0.000 3.119 239 V HA 0.841 4.961 4.120 0.000 0.000 0.311 239 V C -0.392 175.705 176.094 0.006 0.000 1.259 239 V CA -0.153 62.149 62.300 0.004 0.000 1.067 239 V CB 1.629 33.444 31.823 -0.013 0.000 1.123 239 V HN 0.235 nan 8.190 nan 0.000 0.463 240 T N -3.455 111.096 114.554 -0.005 0.000 2.681 240 T HA 0.435 4.785 4.350 0.000 0.000 0.296 240 T C 0.326 175.015 174.700 -0.017 0.000 1.157 240 T CA 0.453 62.552 62.100 -0.002 0.000 1.025 240 T CB 1.261 70.129 68.868 0.001 0.000 1.441 240 T HN 0.768 nan 8.240 nan 0.000 0.504 241 D N 0.126 120.519 120.400 -0.011 0.000 2.178 241 D HA -0.064 4.576 4.640 0.000 0.000 0.201 241 D C 1.646 177.923 176.300 -0.038 0.000 0.980 241 D CA 1.362 55.347 54.000 -0.025 0.000 0.842 241 D CB -0.066 40.730 40.800 -0.007 0.000 0.948 241 D HN 0.685 nan 8.370 nan 0.000 0.472 242 E N -1.144 119.040 120.200 -0.027 0.000 2.274 242 E HA -0.038 4.312 4.350 0.000 0.000 0.194 242 E C 1.424 178.004 176.600 -0.034 0.000 0.996 242 E CA 1.380 57.763 56.400 -0.028 0.000 0.840 242 E CB 0.076 29.764 29.700 -0.019 0.000 0.772 242 E HN 0.365 nan 8.360 nan 0.000 0.491 243 T N -2.558 111.975 114.554 -0.035 0.000 3.132 243 T HA 0.366 4.716 4.350 0.000 0.000 0.274 243 T C -0.004 174.669 174.700 -0.045 0.000 1.011 243 T CA -0.515 61.564 62.100 -0.034 0.000 0.899 243 T CB 0.510 69.364 68.868 -0.023 0.000 1.089 243 T HN -0.008 nan 8.240 nan 0.000 0.543 244 V N 0.043 119.918 119.914 -0.065 0.000 3.114 244 V HA 0.538 4.658 4.120 0.000 0.000 0.308 244 V C -1.104 174.915 176.094 -0.126 0.000 1.168 244 V CA -0.726 61.525 62.300 -0.082 0.000 1.015 244 V CB 2.566 34.333 31.823 -0.093 0.000 1.050 244 V HN 0.140 nan 8.190 nan 0.000 0.433 245 D N 2.200 122.523 120.400 -0.128 0.000 2.470 245 D HA 0.256 4.896 4.640 0.000 0.000 0.238 245 D C -0.795 175.198 176.300 -0.512 0.000 1.054 245 D CA 1.083 54.935 54.000 -0.247 0.000 0.896 245 D CB 0.651 41.395 40.800 -0.094 0.000 1.118 245 D HN 0.516 nan 8.370 nan 0.000 0.497 246 Y N -0.642 119.598 120.300 -0.100 0.000 2.597 246 Y HA 0.510 5.060 4.550 0.000 0.000 0.340 246 Y C -1.229 174.567 175.900 -0.174 0.000 1.097 246 Y CA -1.155 56.870 58.100 -0.125 0.000 1.037 246 Y CB 1.731 40.153 38.460 -0.063 0.000 1.305 246 Y HN -0.357 nan 8.280 nan 0.000 0.463 247 L N 3.078 124.260 121.223 -0.068 0.000 2.406 247 L HA 0.509 4.849 4.340 0.000 0.000 0.272 247 L C -1.178 175.712 176.870 0.034 0.000 0.980 247 L CA -0.354 54.411 54.840 -0.124 0.000 0.831 247 L CB 1.679 43.448 42.059 -0.483 0.000 1.253 247 L HN 0.403 nan 8.230 nan 0.000 0.406 248 L N 4.472 125.744 121.223 0.082 0.000 2.272 248 L HA 0.471 4.811 4.340 0.000 0.000 0.284 248 L C -0.682 176.289 176.870 0.168 0.000 1.045 248 L CA -0.454 54.454 54.840 0.113 0.000 0.842 248 L CB 0.925 43.028 42.059 0.074 0.000 1.224 248 L HN 0.392 nan 8.230 nan 0.000 0.430 249 L N 2.388 123.744 121.223 0.222 0.000 2.343 249 L HA 0.355 4.695 4.340 0.000 0.000 0.275 249 L C 0.363 177.339 176.870 0.177 0.000 1.056 249 L CA -0.427 54.584 54.840 0.285 0.000 0.804 249 L CB 0.911 43.220 42.059 0.417 0.000 1.203 249 L HN 0.394 nan 8.230 nan 0.000 0.440 250 H N 2.883 121.940 119.070 -0.023 0.000 3.115 250 H HA -0.039 4.517 4.556 0.000 0.000 0.324 250 H C -0.268 175.013 175.328 -0.077 0.000 1.007 250 H CA 0.498 56.431 56.048 -0.192 0.000 1.385 250 H CB 0.639 30.023 29.762 -0.631 0.000 1.351 250 H HN 0.363 nan 8.280 nan 0.000 0.592 251 Q N 4.972 124.449 119.800 -0.538 0.000 3.170 251 Q HA 0.182 4.522 4.340 0.000 0.000 0.346 251 Q C 1.278 176.967 176.000 -0.518 0.000 1.333 251 Q CA 0.436 56.028 55.803 -0.353 0.000 0.958 251 Q CB 0.130 28.810 28.738 -0.096 0.000 1.600 251 Q HN 0.782 nan 8.270 nan 0.000 0.482 252 A N 1.556 123.959 122.820 -0.694 0.000 1.877 252 A HA -0.109 4.211 4.320 0.000 0.000 0.216 252 A C 0.959 178.518 177.584 -0.041 0.000 1.186 252 A CA 1.215 53.112 52.037 -0.234 0.000 0.620 252 A CB 0.172 19.277 19.000 0.176 0.000 0.822 252 A HN 0.604 nan 8.150 nan 0.000 0.443 253 N N -1.910 116.792 118.700 0.004 0.000 4.430 253 N HA -0.009 4.731 4.740 0.000 0.000 0.181 253 N C 0.048 175.586 175.510 0.047 0.000 1.061 253 N CA 0.361 53.429 53.050 0.030 0.000 1.089 253 N CB 1.048 39.588 38.487 0.088 0.000 1.586 253 N HN 0.118 nan 8.380 nan 0.000 0.881 254 V N 4.707 124.632 119.914 0.019 0.000 2.453 254 V HA -0.171 3.950 4.120 0.000 0.000 0.252 254 V C 2.352 178.454 176.094 0.013 0.000 1.068 254 V CA 2.193 64.503 62.300 0.017 0.000 1.070 254 V CB -0.508 31.322 31.823 0.011 0.000 0.664 254 V HN 0.721 nan 8.190 nan 0.000 0.461 255 R N -0.491 120.029 120.500 0.032 0.000 2.159 255 R HA -0.097 4.244 4.340 0.000 0.000 0.237 255 R C 2.124 178.473 176.300 0.080 0.000 1.131 255 R CA 2.047 58.177 56.100 0.051 0.000 0.982 255 R CB -0.299 30.036 30.300 0.060 0.000 0.868 255 R HN 0.639 nan 8.270 nan 0.000 0.453 256 I N 0.127 120.753 120.570 0.093 0.000 2.406 256 I HA -0.218 3.952 4.170 0.000 0.000 0.249 256 I C 2.037 178.087 176.117 -0.112 0.000 1.122 256 I CA 0.903 62.192 61.300 -0.019 0.000 1.431 256 I CB -0.102 37.905 38.000 0.013 0.000 1.087 256 I HN 0.160 nan 8.210 nan 0.000 0.424 257 I N 0.809 121.339 120.570 -0.067 0.000 2.614 257 I HA -0.243 3.927 4.170 0.000 0.000 0.258 257 I C 1.830 177.744 176.117 -0.338 0.000 1.189 257 I CA 1.031 62.234 61.300 -0.161 0.000 1.462 257 I CB -0.451 37.521 38.000 -0.047 0.000 1.092 257 I HN 0.248 nan 8.210 nan 0.000 0.442 258 D N 1.056 121.332 120.400 -0.206 0.000 2.091 258 D HA -0.130 4.510 4.640 0.000 0.000 0.199 258 D C 2.165 178.337 176.300 -0.213 0.000 0.980 258 D CA 0.946 54.824 54.000 -0.203 0.000 0.831 258 D CB -0.219 40.522 40.800 -0.099 0.000 0.987 258 D HN 0.029 nan 8.370 nan 0.000 0.460 259 K N 0.712 121.013 120.400 -0.166 0.000 2.103 259 K HA -0.062 4.258 4.320 0.000 0.000 0.207 259 K C 2.264 178.734 176.600 -0.216 0.000 1.048 259 K CA 0.469 56.657 56.287 -0.165 0.000 0.930 259 K CB -0.403 31.997 32.500 -0.166 0.000 0.716 259 K HN 0.279 nan 8.250 nan 0.000 0.444 260 I N 0.329 120.731 120.570 -0.279 0.000 2.233 260 I HA -0.226 3.944 4.170 0.000 0.000 0.243 260 I C 2.409 178.354 176.117 -0.287 0.000 1.093 260 I CA 0.917 62.057 61.300 -0.266 0.000 1.380 260 I CB -0.474 37.373 38.000 -0.254 0.000 1.067 260 I HN 0.020 nan 8.210 nan 0.000 0.413 261 A N 1.427 123.892 122.820 -0.592 0.000 1.896 261 A HA -0.284 4.036 4.320 0.000 0.000 0.220 261 A C 2.415 179.896 177.584 -0.171 0.000 1.206 261 A CA 2.132 53.773 52.037 -0.660 0.000 0.647 261 A CB -0.744 17.792 19.000 -0.774 0.000 0.828 261 A HN 0.363 nan 8.150 nan 0.000 0.455 262 R N -0.953 119.451 120.500 -0.160 0.000 2.062 262 R HA -0.068 4.272 4.340 0.000 0.000 0.229 262 R C 2.443 178.710 176.300 -0.053 0.000 1.128 262 R CA 1.457 57.510 56.100 -0.078 0.000 0.960 262 R CB -0.338 29.915 30.300 -0.079 0.000 0.855 262 R HN 0.610 nan 8.270 nan 0.000 0.432 263 K N 0.307 120.662 120.400 -0.076 0.000 2.209 263 K HA -0.129 4.191 4.320 0.000 0.000 0.204 263 K C 1.831 178.414 176.600 -0.027 0.000 1.048 263 K CA 1.599 57.850 56.287 -0.059 0.000 0.940 263 K CB -0.022 32.424 32.500 -0.090 0.000 0.729 263 K HN 0.030 nan 8.250 nan 0.000 0.451 264 T N -0.122 114.431 114.554 -0.003 0.000 3.100 264 T HA 0.041 4.391 4.350 0.000 0.000 0.253 264 T C -0.099 174.637 174.700 0.060 0.000 1.118 264 T CA 0.280 62.409 62.100 0.048 0.000 1.058 264 T CB 0.014 68.959 68.868 0.129 0.000 0.953 264 T HN 0.223 nan 8.240 nan 0.000 0.515 265 K N 0.573 121.000 120.400 0.045 0.000 3.281 265 K HA -0.131 4.189 4.320 0.000 0.000 0.295 265 K C -0.280 176.359 176.600 0.066 0.000 1.233 265 K CA 0.467 56.778 56.287 0.040 0.000 0.866 265 K CB -2.636 29.877 32.500 0.023 0.000 1.265 265 K HN 0.518 nan 8.250 nan 0.000 0.482 266 I N 1.202 121.851 120.570 0.133 0.000 2.336 266 I HA 0.077 4.247 4.170 0.000 0.000 0.292 266 I C 0.971 177.221 176.117 0.222 0.000 0.991 266 I CA -0.668 60.731 61.300 0.166 0.000 1.227 266 I CB 1.700 39.827 38.000 0.213 0.000 1.366 266 I HN 0.055 nan 8.210 nan 0.000 0.466 267 S N 4.642 120.407 115.700 0.108 0.000 2.931 267 S HA -0.138 4.332 4.470 0.000 0.000 0.342 267 S C 1.348 176.075 174.600 0.213 0.000 1.220 267 S CA -0.032 58.225 58.200 0.094 0.000 1.045 267 S CB 0.115 63.321 63.200 0.010 0.000 0.758 267 S HN 0.642 nan 8.310 nan 0.000 0.508 268 R N 3.968 124.583 120.500 0.192 0.000 2.189 268 R HA -0.052 4.288 4.340 0.000 0.000 0.223 268 R C 1.524 177.976 176.300 0.254 0.000 1.092 268 R CA 2.025 58.273 56.100 0.246 0.000 0.989 268 R CB -0.363 29.980 30.300 0.071 0.000 0.876 268 R HN 0.751 nan 8.270 nan 0.000 0.457 269 E N 0.263 120.548 120.200 0.143 0.000 2.204 269 E HA -0.130 4.220 4.350 0.000 0.000 0.195 269 E C 1.491 178.170 176.600 0.133 0.000 0.990 269 E CA 1.326 57.795 56.400 0.115 0.000 0.821 269 E CB -0.017 29.715 29.700 0.052 0.000 0.750 269 E HN 0.386 nan 8.360 nan 0.000 0.477 270 K N -0.198 120.244 120.400 0.069 0.000 2.155 270 K HA 0.019 4.339 4.320 0.000 0.000 0.203 270 K C -0.084 176.548 176.600 0.053 0.000 1.052 270 K CA 0.236 56.470 56.287 -0.088 0.000 0.948 270 K CB -0.057 32.269 32.500 -0.289 0.000 0.728 270 K HN 0.087 nan 8.250 nan 0.000 0.448 271 F N 2.144 122.149 119.950 0.092 0.000 2.541 271 F HA 0.065 4.592 4.527 0.000 0.000 0.378 271 F C 0.602 176.475 175.800 0.122 0.000 1.068 271 F CA -0.116 57.949 58.000 0.107 0.000 1.199 271 F CB 0.073 39.117 39.000 0.072 0.000 1.091 271 F HN -0.129 nan 8.300 nan 0.000 0.555 272 L N 3.358 124.738 121.223 0.262 0.000 2.357 272 L HA 0.506 4.846 4.340 0.000 0.000 0.273 272 L C 0.293 177.254 176.870 0.153 0.000 1.080 272 L CA -0.328 54.619 54.840 0.178 0.000 0.803 272 L CB 1.497 43.619 42.059 0.106 0.000 1.174 272 L HN 0.581 nan 8.230 nan 0.000 0.443 273 T N 0.739 115.360 114.554 0.112 0.000 2.916 273 T HA 0.319 4.669 4.350 0.000 0.000 0.292 273 T C 0.270 175.012 174.700 0.069 0.000 1.064 273 T CA -0.446 61.706 62.100 0.087 0.000 1.011 273 T CB 2.398 71.310 68.868 0.072 0.000 1.152 273 T HN 0.774 nan 8.240 nan 0.000 0.510 274 N N -0.387 118.352 118.700 0.064 0.000 2.003 274 N HA -0.039 4.701 4.740 0.000 0.000 0.271 274 N C 1.740 177.289 175.510 0.065 0.000 1.166 274 N CA 0.026 53.132 53.050 0.094 0.000 0.760 274 N CB 0.179 38.765 38.487 0.164 0.000 1.607 274 N HN 0.542 nan 8.380 nan 0.000 0.588 275 M N 1.428 121.055 119.600 0.045 0.000 2.460 275 M HA -0.042 4.438 4.480 0.000 0.000 0.263 275 M C 0.960 177.237 176.300 -0.038 0.000 1.071 275 M CA 1.399 56.721 55.300 0.037 0.000 1.096 275 M CB -1.103 31.503 32.600 0.010 0.000 1.408 275 M HN 0.149 nan 8.290 nan 0.000 0.463 276 D N 1.123 121.474 120.400 -0.082 0.000 2.190 276 D HA -0.221 4.419 4.640 0.000 0.000 0.200 276 D C 1.357 177.551 176.300 -0.176 0.000 0.992 276 D CA 1.235 55.149 54.000 -0.143 0.000 0.854 276 D CB -0.313 40.406 40.800 -0.134 0.000 0.936 276 D HN 0.388 nan 8.370 nan 0.000 0.462 277 K N -0.487 119.760 120.400 -0.254 0.000 2.276 277 K HA 0.055 4.375 4.320 0.000 0.000 0.198 277 K C 1.674 178.049 176.600 -0.375 0.000 1.052 277 K CA 0.406 56.445 56.287 -0.414 0.000 0.984 277 K CB 0.077 32.144 32.500 -0.721 0.000 0.836 277 K HN 0.404 nan 8.250 nan 0.000 0.490 278 Y N -0.198 120.100 120.300 -0.004 0.000 2.483 278 Y HA 0.182 4.732 4.550 0.000 0.000 0.258 278 Y C 1.334 177.258 175.900 0.039 0.000 1.083 278 Y CA -0.000 58.110 58.100 0.018 0.000 1.283 278 Y CB 0.844 39.314 38.460 0.017 0.000 1.178 278 Y HN 0.172 nan 8.280 nan 0.000 0.515 279 G N 1.667 110.552 108.800 0.142 0.000 2.553 279 G HA2 -0.328 3.632 3.960 0.000 0.000 0.242 279 G HA3 -0.328 3.632 3.960 0.000 0.000 0.242 279 G C -0.697 174.277 174.900 0.123 0.000 1.277 279 G CA -0.226 44.929 45.100 0.093 0.000 0.910 279 G HN 0.288 nan 8.290 nan 0.000 0.576 280 N N 1.297 120.074 118.700 0.128 0.000 2.439 280 N HA 0.455 5.195 4.740 0.000 0.000 0.249 280 N C 1.096 176.846 175.510 0.400 0.000 1.003 280 N CA 0.562 53.749 53.050 0.229 0.000 0.942 280 N CB 0.748 39.356 38.487 0.202 0.000 1.115 280 N HN 1.014 nan 8.380 nan 0.000 0.505 281 T N 0.391 115.131 114.554 0.310 0.000 3.243 281 T HA 0.188 4.538 4.350 0.000 0.000 0.264 281 T C 0.859 175.709 174.700 0.250 0.000 1.000 281 T CA 0.041 62.302 62.100 0.268 0.000 0.901 281 T CB -0.351 68.597 68.868 0.134 0.000 1.083 281 T HN 0.483 nan 8.240 nan 0.000 0.559 282 S N 1.762 117.688 115.700 0.376 0.000 3.938 282 S HA -0.382 4.088 4.470 0.000 0.000 0.624 282 S C 1.925 176.572 174.600 0.078 0.000 2.186 282 S CA 1.644 59.984 58.200 0.234 0.000 4.144 282 S CB -1.654 61.641 63.200 0.159 0.000 0.230 282 S HN 1.609 nan 8.310 nan 0.000 0.755 283 A N 0.864 123.684 122.820 0.001 0.000 2.084 283 A HA 0.192 4.512 4.320 0.000 0.000 0.221 283 A C 2.437 180.043 177.584 0.037 0.000 1.161 283 A CA 2.728 54.776 52.037 0.018 0.000 0.653 283 A CB -1.308 17.701 19.000 0.015 0.000 0.802 283 A HN 1.735 nan 8.150 nan 0.000 0.457 284 A N -0.144 122.686 122.820 0.017 0.000 2.132 284 A HA 0.159 4.479 4.320 0.000 0.000 0.213 284 A C 2.309 179.840 177.584 -0.089 0.000 1.154 284 A CA 1.340 53.349 52.037 -0.047 0.000 0.753 284 A CB -0.666 18.316 19.000 -0.029 0.000 0.826 284 A HN 0.917 nan 8.150 nan 0.000 0.469 285 S N 0.756 116.465 115.700 0.015 0.000 2.359 285 S HA -0.200 4.270 4.470 0.000 0.000 0.224 285 S C 1.859 176.431 174.600 -0.046 0.000 1.035 285 S CA 1.610 59.832 58.200 0.037 0.000 1.018 285 S CB -0.747 62.572 63.200 0.199 0.000 0.876 285 S HN 0.480 nan 8.310 nan 0.000 0.448 286 I N 2.837 123.357 120.570 -0.083 0.000 2.163 286 I HA -0.056 4.114 4.170 0.000 0.000 0.240 286 I C -0.410 175.514 176.117 -0.322 0.000 1.081 286 I CA 1.101 62.316 61.300 -0.142 0.000 1.353 286 I CB -1.267 36.689 38.000 -0.074 0.000 1.054 286 I HN 0.317 nan 8.210 nan 0.000 0.407 287 P HA -0.126 nan 4.420 nan 0.000 0.219 287 P C 1.903 179.025 177.300 -0.298 0.000 1.150 287 P CA 1.576 64.302 63.100 -0.622 0.000 0.814 287 P CB -0.041 31.081 31.700 -0.963 0.000 0.787 288 I N -0.918 119.496 120.570 -0.259 0.000 2.226 288 I HA -0.220 3.950 4.170 0.000 0.000 0.245 288 I C 2.499 178.526 176.117 -0.151 0.000 1.100 288 I CA 0.913 62.074 61.300 -0.231 0.000 1.374 288 I CB -0.654 37.139 38.000 -0.345 0.000 1.057 288 I HN -0.084 nan 8.210 nan 0.000 0.413 289 L N 0.655 121.815 121.223 -0.104 0.000 1.989 289 L HA -0.237 4.103 4.340 0.000 0.000 0.211 289 L C 2.330 179.171 176.870 -0.047 0.000 1.071 289 L CA 1.776 56.600 54.840 -0.028 0.000 0.749 289 L CB -0.706 41.349 42.059 -0.007 0.000 0.890 289 L HN 0.146 nan 8.230 nan 0.000 0.431 290 L N -0.197 120.976 121.223 -0.084 0.000 2.042 290 L HA -0.262 4.078 4.340 0.000 0.000 0.210 290 L C 2.131 178.966 176.870 -0.058 0.000 1.076 290 L CA 2.319 57.117 54.840 -0.071 0.000 0.749 290 L CB -1.090 40.920 42.059 -0.083 0.000 0.893 290 L HN 0.500 nan 8.230 nan 0.000 0.432 291 D N -1.106 119.254 120.400 -0.066 0.000 2.263 291 D HA -0.179 4.461 4.640 0.000 0.000 0.208 291 D C 1.988 178.273 176.300 -0.025 0.000 0.971 291 D CA 1.071 55.045 54.000 -0.043 0.000 0.867 291 D CB 0.132 40.902 40.800 -0.050 0.000 0.929 291 D HN 0.561 nan 8.370 nan 0.000 0.492 292 E N -0.650 119.539 120.200 -0.019 0.000 2.140 292 E HA 0.042 4.392 4.350 0.000 0.000 0.191 292 E C 2.085 178.674 176.600 -0.020 0.000 0.973 292 E CA 0.552 56.955 56.400 0.005 0.000 0.829 292 E CB -0.002 29.728 29.700 0.050 0.000 0.781 292 E HN 0.287 nan 8.360 nan 0.000 0.466 293 A N 0.941 123.733 122.820 -0.045 0.000 1.940 293 A HA -0.142 4.178 4.320 0.000 0.000 0.219 293 A C 2.372 179.905 177.584 -0.085 0.000 1.176 293 A CA 1.131 53.113 52.037 -0.091 0.000 0.631 293 A CB -0.445 18.473 19.000 -0.137 0.000 0.814 293 A HN 0.111 nan 8.150 nan 0.000 0.446 294 V N -0.398 119.481 119.914 -0.058 0.000 2.488 294 V HA -0.156 3.964 4.120 0.000 0.000 0.246 294 V C 2.408 178.486 176.094 -0.027 0.000 1.046 294 V CA 1.853 64.128 62.300 -0.042 0.000 1.053 294 V CB -0.466 31.341 31.823 -0.026 0.000 0.679 294 V HN 0.725 nan 8.190 nan 0.000 0.458 295 E N 0.518 120.706 120.200 -0.019 0.000 2.152 295 E HA -0.199 4.151 4.350 0.000 0.000 0.192 295 E C 1.921 178.515 176.600 -0.010 0.000 0.983 295 E CA 1.390 57.785 56.400 -0.008 0.000 0.818 295 E CB -0.014 29.687 29.700 0.001 0.000 0.758 295 E HN 0.738 nan 8.360 nan 0.000 0.467 296 N N -1.060 117.630 118.700 -0.017 0.000 2.171 296 N HA -0.039 4.701 4.740 0.000 0.000 0.184 296 N C 1.129 176.626 175.510 -0.021 0.000 1.021 296 N CA 0.940 53.980 53.050 -0.017 0.000 0.854 296 N CB 0.260 38.733 38.487 -0.024 0.000 0.994 296 N HN 0.273 nan 8.380 nan 0.000 0.426 297 G N -1.059 107.721 108.800 -0.034 0.000 2.192 297 G HA2 -0.211 3.749 3.960 0.000 0.000 0.193 297 G HA3 -0.211 3.749 3.960 0.000 0.000 0.193 297 G C 0.928 175.795 174.900 -0.054 0.000 0.999 297 G CA 0.438 45.519 45.100 -0.032 0.000 0.659 297 G HN 0.266 nan 8.290 nan 0.000 0.503 298 T N 0.579 115.076 114.554 -0.095 0.000 2.821 298 T HA 0.214 4.564 4.350 0.000 0.000 0.267 298 T C 1.110 175.644 174.700 -0.277 0.000 1.046 298 T CA 1.111 63.099 62.100 -0.186 0.000 1.139 298 T CB 0.106 68.822 68.868 -0.252 0.000 0.871 298 T HN 0.370 nan 8.240 nan 0.000 0.454 299 L N 0.591 121.693 121.223 -0.201 0.000 2.354 299 L HA 0.626 4.966 4.340 0.000 0.000 0.269 299 L C -0.891 175.939 176.870 -0.067 0.000 1.005 299 L CA -0.966 53.779 54.840 -0.158 0.000 0.819 299 L CB 2.357 44.319 42.059 -0.162 0.000 1.311 299 L HN 0.059 nan 8.230 nan 0.000 0.423 300 I N 2.998 123.550 120.570 -0.031 0.000 2.512 300 I HA 0.294 4.464 4.170 0.000 0.000 0.287 300 I C -0.588 175.536 176.117 0.012 0.000 1.069 300 I CA -0.530 60.766 61.300 -0.006 0.000 1.056 300 I CB 2.296 40.299 38.000 0.006 0.000 1.229 300 I HN 0.377 nan 8.210 nan 0.000 0.429 301 L N 6.121 127.354 121.223 0.015 0.000 2.410 301 L HA 0.353 4.693 4.340 0.000 0.000 0.273 301 L C 1.292 178.189 176.870 0.045 0.000 1.144 301 L CA 0.558 55.417 54.840 0.032 0.000 0.863 301 L CB 0.411 42.484 42.059 0.024 0.000 1.140 301 L HN 1.035 nan 8.230 nan 0.000 0.463 302 G N 1.411 110.254 108.800 0.073 0.000 2.232 302 G HA2 -0.342 3.618 3.960 0.000 0.000 0.226 302 G HA3 -0.342 3.618 3.960 0.000 0.000 0.226 302 G C 1.060 175.994 174.900 0.055 0.000 0.996 302 G CA 0.489 45.636 45.100 0.078 0.000 0.626 302 G HN 0.703 nan 8.290 nan 0.000 0.509 303 S N -0.174 115.552 115.700 0.043 0.000 2.423 303 S HA 0.084 4.554 4.470 0.000 0.000 0.231 303 S C 1.422 176.035 174.600 0.022 0.000 1.014 303 S CA 1.713 59.932 58.200 0.031 0.000 0.965 303 S CB -0.178 63.041 63.200 0.031 0.000 0.785 303 S HN 1.154 nan 8.310 nan 0.000 0.495 304 Q N -0.180 119.633 119.800 0.021 0.000 2.465 304 Q HA -0.180 4.160 4.340 0.000 0.000 0.248 304 Q C -0.855 175.141 176.000 -0.006 0.000 0.819 304 Q CA 0.672 56.467 55.803 -0.013 0.000 1.219 304 Q CB -1.809 26.908 28.738 -0.035 0.000 1.472 304 Q HN 0.811 nan 8.270 nan 0.000 0.630 305 Q N 1.025 120.838 119.800 0.022 0.000 2.315 305 Q HA 0.080 4.420 4.340 0.000 0.000 0.289 305 Q C 0.104 176.116 176.000 0.021 0.000 1.044 305 Q CA 0.183 56.011 55.803 0.042 0.000 0.920 305 Q CB 0.481 29.278 28.738 0.098 0.000 1.214 305 Q HN -0.001 nan 8.270 nan 0.000 0.392 306 R N 1.926 122.431 120.500 0.009 0.000 2.343 306 R HA 0.197 4.537 4.340 0.000 0.000 0.326 306 R C -0.781 175.525 176.300 0.011 0.000 1.055 306 R CA -0.107 55.987 56.100 -0.010 0.000 0.961 306 R CB -0.268 30.015 30.300 -0.027 0.000 0.978 306 R HN 0.305 nan 8.270 nan 0.000 0.443 307 V N 3.460 123.377 119.914 0.004 0.000 2.555 307 V HA 0.380 4.500 4.120 0.000 0.000 0.302 307 V C -0.277 175.815 176.094 -0.002 0.000 1.038 307 V CA -0.985 61.326 62.300 0.019 0.000 0.887 307 V CB 2.339 34.175 31.823 0.021 0.000 0.991 307 V HN 0.486 nan 8.190 nan 0.000 0.434 308 V N 6.905 126.822 119.914 0.006 0.000 2.495 308 V HA 0.656 4.776 4.120 0.000 0.000 0.298 308 V C -0.910 175.223 176.094 0.065 0.000 1.031 308 V CA -0.417 61.897 62.300 0.024 0.000 0.871 308 V CB 1.684 33.515 31.823 0.013 0.000 0.988 308 V HN 0.741 nan 8.190 nan 0.000 0.432 309 L N 6.621 127.907 121.223 0.104 0.000 2.305 309 L HA 0.728 5.068 4.340 0.000 0.000 0.284 309 L C -0.067 176.928 176.870 0.208 0.000 1.013 309 L CA -0.323 54.615 54.840 0.163 0.000 0.819 309 L CB 1.943 44.124 42.059 0.203 0.000 1.227 309 L HN 0.842 nan 8.230 nan 0.000 0.417 310 T N -0.020 114.685 114.554 0.251 0.000 2.879 310 T HA 0.781 5.131 4.350 0.000 0.000 0.290 310 T C -0.269 174.657 174.700 0.376 0.000 0.993 310 T CA -0.558 61.737 62.100 0.326 0.000 0.975 310 T CB 1.847 70.923 68.868 0.347 0.000 0.981 310 T HN 0.676 nan 8.240 nan 0.000 0.439 311 G N 2.479 111.505 108.800 0.377 0.000 2.498 311 G HA2 0.842 4.802 3.960 0.000 0.000 0.312 311 G HA3 0.842 4.802 3.960 0.000 0.000 0.312 311 G C -1.292 173.855 174.900 0.410 0.000 1.230 311 G CA -1.238 43.993 45.100 0.217 0.000 0.968 311 G HN 0.953 nan 8.290 nan 0.000 0.481 312 F N -1.250 118.872 119.950 0.287 0.000 2.641 312 F HA 0.884 5.411 4.527 0.000 0.000 0.308 312 F C 0.168 176.119 175.800 0.252 0.000 1.105 312 F CA -0.752 57.468 58.000 0.368 0.000 0.964 312 F CB 1.654 40.879 39.000 0.375 0.000 1.294 312 F HN 1.022 nan 8.300 nan 0.000 0.442 313 G N -0.060 108.989 108.800 0.414 0.000 2.490 313 G HA2 0.522 4.482 3.960 0.000 0.000 0.308 313 G HA3 0.522 4.482 3.960 0.000 0.000 0.308 313 G C -0.657 174.377 174.900 0.222 0.000 1.286 313 G CA -0.253 44.988 45.100 0.235 0.000 0.825 313 G HN 1.104 nan 8.290 nan 0.000 0.479 314 G N -1.662 107.231 108.800 0.155 0.000 2.690 314 G HA2 0.521 4.481 3.960 0.000 0.000 0.239 314 G HA3 0.521 4.481 3.960 0.000 0.000 0.239 314 G C 1.064 176.029 174.900 0.108 0.000 1.233 314 G CA 1.397 46.574 45.100 0.130 0.000 0.847 314 G HN 2.130 nan 8.290 nan 0.000 0.588 315 G N -0.602 108.272 108.800 0.123 0.000 4.241 315 G HA2 -0.063 3.897 3.960 0.000 0.000 0.193 315 G HA3 -0.063 3.897 3.960 0.000 0.000 0.193 315 G C 0.041 175.045 174.900 0.173 0.000 1.789 315 G CA -0.045 45.130 45.100 0.125 0.000 1.025 315 G HN 0.750 nan 8.290 nan 0.000 0.346 316 L N 2.812 124.112 121.223 0.128 0.000 2.464 316 L HA 0.683 5.023 4.340 0.000 0.000 0.264 316 L C 0.998 178.031 176.870 0.272 0.000 1.199 316 L CA 0.954 55.831 54.840 0.061 0.000 0.818 316 L CB 1.239 43.118 42.059 -0.300 0.000 1.102 316 L HN 0.775 nan 8.230 nan 0.000 0.473 317 T N -0.816 113.978 114.554 0.400 0.000 2.883 317 T HA 0.778 5.128 4.350 0.000 0.000 0.301 317 T C -1.149 174.082 174.700 0.886 0.000 1.158 317 T CA -0.780 61.621 62.100 0.502 0.000 1.007 317 T CB 1.534 70.467 68.868 0.109 0.000 1.186 317 T HN 0.723 nan 8.240 nan 0.000 0.499 318 W N -0.453 121.097 121.300 0.416 0.000 3.153 318 W HA 0.765 5.425 4.660 0.000 0.000 0.316 318 W C -0.923 175.844 176.519 0.414 0.000 1.255 318 W CA -0.901 56.705 57.345 0.436 0.000 1.192 318 W CB 0.758 30.474 29.460 0.428 0.000 1.400 318 W HN 1.182 nan 8.180 nan 0.000 0.568 319 G N 0.605 109.677 108.800 0.454 0.000 2.519 319 G HA2 0.552 4.512 3.960 0.000 0.000 0.292 319 G HA3 0.552 4.512 3.960 0.000 0.000 0.292 319 G C -1.959 173.107 174.900 0.277 0.000 1.507 319 G CA -0.929 44.321 45.100 0.250 0.000 0.806 319 G HN 0.669 nan 8.290 nan 0.000 0.523 320 S N -0.633 115.178 115.700 0.186 0.000 2.536 320 S HA 0.736 5.206 4.470 0.000 0.000 0.287 320 S C -0.712 173.961 174.600 0.122 0.000 1.101 320 S CA -0.597 57.708 58.200 0.175 0.000 0.950 320 S CB 1.565 64.868 63.200 0.172 0.000 1.056 320 S HN 0.590 nan 8.310 nan 0.000 0.481 321 L N 2.779 124.074 121.223 0.121 0.000 2.333 321 L HA 0.563 4.903 4.340 0.000 0.000 0.280 321 L C -0.992 175.909 176.870 0.053 0.000 1.004 321 L CA -0.895 54.002 54.840 0.095 0.000 0.820 321 L CB 1.404 43.531 42.059 0.114 0.000 1.247 321 L HN 0.440 nan 8.230 nan 0.000 0.416 322 L N 6.305 127.550 121.223 0.036 0.000 2.260 322 L HA 0.613 4.953 4.340 0.000 0.000 0.289 322 L C -0.841 176.005 176.870 -0.041 0.000 1.057 322 L CA -0.268 54.574 54.840 0.003 0.000 0.811 322 L CB 0.980 43.045 42.059 0.010 0.000 1.184 322 L HN 0.490 nan 8.230 nan 0.000 0.429 323 L N 2.645 123.813 121.223 -0.092 0.000 2.436 323 L HA 0.641 4.981 4.340 0.000 0.000 0.268 323 L C -0.127 176.674 176.870 -0.115 0.000 0.974 323 L CA -0.580 54.152 54.840 -0.180 0.000 0.826 323 L CB 1.431 43.215 42.059 -0.458 0.000 1.291 323 L HN 0.532 nan 8.230 nan 0.000 0.406 324 T N 2.824 117.324 114.554 -0.090 0.000 2.851 324 T HA 0.542 4.892 4.350 0.000 0.000 0.298 324 T C -0.178 174.536 174.700 0.023 0.000 0.977 324 T CA -0.010 62.053 62.100 -0.062 0.000 1.126 324 T CB 0.282 69.071 68.868 -0.132 0.000 0.916 324 T HN 0.668 nan 8.240 nan 0.000 0.529 325 L N 0.000 121.247 121.223 0.040 0.000 2.949 325 L HA 0.000 4.340 4.340 0.000 0.000 0.249 325 L CA 0.000 54.885 54.840 0.074 0.000 0.813 325 L CB 0.000 42.075 42.059 0.027 0.000 0.961 325 L HN 0.000 nan 8.230 nan 0.000 0.502