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 3cvx_1_A DATA FIRST_RESID 4 DATA SEQUENCE QRSTLVHWFR KGLRLHDNPA LSHIFTAANA APGRYFVRPI FILDPGILDW DATA SEQUENCE MQVGANRWRF LQQTLEDLDN QLRKLNSRLF VVRGKPAEVF PRIFKSWRVE DATA SEQUENCE MLTFETDIEP YSVTRDAAVQ KLAKAEGVRV ETHCSHTIYN PELVIAKNLG DATA SEQUENCE KAPITYQKFL GIVEQLKVPK VLGVPEKLKN MPTPPKDEVE QKDSAAYDCP DATA SEQUENCE TMKQLVKRPE ELGPNKFPGG ETEALRRMEE SLKDEIWVAR FEKPNTAPNS DATA SEQUENCE LEPSTTVLSP YLKFGCLSAR LFNQKLKEII KRQPKHSQPP VSLIGQLMWR DATA SEQUENCE EFYYTVAAAE PNFDRMLGNV YCMQIPWQEH PDHLEAWTHG RTGYPFIDAI DATA SEQUENCE MRQLRQEGWI HHLARMAVAC FLTRGDLWIS WEEGQRVFEQ LLLDQDWALN DATA SEQUENCE AGNWMWLSAS AFFHQYFRVY SPVAFGKKTD PQGHYIRKYV PELSKYPAGC DATA SEQUENCE IYEPWKASLV DQRAYGCVLG TDYPHRIVKH EVVHKENIKR MGAAYKVNRE DATA SEQUENCE VR 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.032 176.000 0.054 0.000 1.003 4 Q CA 0.000 55.887 55.803 0.140 0.000 1.022 4 Q CB 0.000 28.784 28.738 0.076 0.000 1.108 5 R N -0.082 120.456 120.500 0.064 0.000 3.234 5 R HA 0.822 5.152 4.340 -0.017 0.000 0.223 5 R C 0.051 176.326 176.300 -0.043 0.000 1.644 5 R CA -0.767 55.234 56.100 -0.164 0.000 1.009 5 R CB 0.945 30.891 30.300 -0.589 0.000 1.959 5 R HN 0.364 nan 8.270 nan 0.000 0.534 6 S N -0.503 115.116 115.700 -0.135 0.000 2.607 6 S HA 0.437 4.897 4.470 -0.017 0.000 0.303 6 S C -0.893 173.833 174.600 0.210 0.000 1.086 6 S CA -0.474 57.758 58.200 0.053 0.000 0.995 6 S CB 1.769 64.975 63.200 0.011 0.000 1.084 6 S HN 0.394 nan 8.310 nan 0.000 0.507 7 T N 3.418 118.150 114.554 0.298 0.000 2.794 7 T HA 0.509 4.849 4.350 -0.017 0.000 0.280 7 T C -0.763 174.117 174.700 0.301 0.000 0.987 7 T CA -0.373 61.910 62.100 0.305 0.000 0.993 7 T CB 0.534 69.571 68.868 0.280 0.000 0.939 7 T HN 0.488 nan 8.240 nan 0.000 0.449 8 L N 3.470 124.830 121.223 0.228 0.000 2.272 8 L HA 0.612 4.942 4.340 -0.017 0.000 0.289 8 L C -0.532 176.455 176.870 0.195 0.000 1.032 8 L CA -0.950 53.991 54.840 0.168 0.000 0.810 8 L CB 1.463 43.531 42.059 0.015 0.000 1.205 8 L HN 0.304 nan 8.230 nan 0.000 0.422 9 V N 2.130 122.203 119.914 0.264 0.000 2.384 9 V HA 0.257 4.367 4.120 -0.017 0.000 0.287 9 V C -0.575 175.731 176.094 0.352 0.000 1.020 9 V CA -0.648 61.841 62.300 0.314 0.000 0.850 9 V CB 1.485 33.534 31.823 0.376 0.000 0.987 9 V HN 0.630 nan 8.190 nan 0.000 0.436 10 H N 4.318 123.537 119.070 0.248 0.000 2.467 10 H HA 0.426 4.971 4.556 -0.017 0.000 0.326 10 H C -1.252 174.222 175.328 0.243 0.000 1.094 10 H CA -0.535 55.620 56.048 0.179 0.000 1.253 10 H CB 0.945 30.716 29.762 0.014 0.000 1.439 10 H HN 0.686 nan 8.280 nan 0.000 0.479 11 W N 7.893 128.903 121.300 -0.484 0.000 2.294 11 W HA 0.310 4.960 4.660 -0.017 0.000 0.314 11 W C -1.707 174.542 176.519 -0.449 0.000 1.044 11 W CA -1.786 55.415 57.345 -0.240 0.000 1.284 11 W CB -0.134 29.369 29.460 0.072 0.000 1.231 11 W HN 0.493 nan 8.180 nan 0.000 0.419 12 F N 6.611 126.619 119.950 0.098 0.000 2.427 12 F HA 0.334 4.851 4.527 -0.016 0.000 0.352 12 F C 1.041 176.784 175.800 -0.095 0.000 1.100 12 F CA 0.056 58.126 58.000 0.116 0.000 1.191 12 F CB 0.965 40.240 39.000 0.459 0.000 1.128 12 F HN 0.346 nan 8.300 nan 0.000 0.533 13 R N 1.207 121.742 120.500 0.058 0.000 3.815 13 R HA 0.297 4.627 4.340 -0.017 0.000 0.133 13 R C -0.140 176.337 176.300 0.295 0.000 1.740 13 R CA -0.388 55.691 56.100 -0.037 0.000 1.270 13 R CB -0.025 29.996 30.300 -0.465 0.000 1.340 13 R HN 0.341 nan 8.270 nan 0.000 0.449 14 K N 0.107 120.600 120.400 0.155 0.000 2.399 14 K HA 0.473 4.783 4.320 -0.017 0.000 0.247 14 K C -0.069 176.727 176.600 0.328 0.000 1.036 14 K CA -0.008 56.424 56.287 0.243 0.000 0.977 14 K CB 0.579 33.099 32.500 0.034 0.000 1.272 14 K HN 0.463 nan 8.250 nan 0.000 0.501 15 G N 1.163 110.182 108.800 0.364 0.000 2.370 15 G HA2 -0.221 3.729 3.960 -0.017 0.000 0.295 15 G HA3 -0.221 3.729 3.960 -0.017 0.000 0.295 15 G C -0.327 174.832 174.900 0.431 0.000 1.045 15 G CA -0.163 45.149 45.100 0.353 0.000 1.199 15 G HN 0.353 nan 8.290 nan 0.000 0.513 16 L N 1.370 122.792 121.223 0.332 0.000 2.466 16 L HA 0.480 4.810 4.340 -0.017 0.000 0.248 16 L C 1.144 178.058 176.870 0.073 0.000 1.240 16 L CA -0.334 54.605 54.840 0.165 0.000 1.180 16 L CB -0.197 41.900 42.059 0.064 0.000 1.413 16 L HN 0.662 nan 8.230 nan 0.000 0.406 17 R N 0.398 120.970 120.500 0.120 0.000 2.692 17 R HA 0.490 4.820 4.340 -0.017 0.000 0.269 17 R C -0.425 175.906 176.300 0.051 0.000 1.030 17 R CA -0.992 55.129 56.100 0.035 0.000 0.882 17 R CB 1.177 31.412 30.300 -0.108 0.000 1.250 17 R HN 0.091 nan 8.270 nan 0.000 0.465 18 L N 0.375 121.607 121.223 0.014 0.000 2.253 18 L HA 0.119 4.449 4.340 -0.017 0.000 0.205 18 L C 1.161 177.998 176.870 -0.055 0.000 1.078 18 L CA -0.003 54.820 54.840 -0.029 0.000 0.805 18 L CB -0.482 41.550 42.059 -0.046 0.000 0.963 18 L HN 0.676 nan 8.230 nan 0.000 0.459 19 H N 0.593 119.646 119.070 -0.028 0.000 2.815 19 H HA -0.043 4.503 4.556 -0.016 0.000 0.350 19 H C -0.372 174.949 175.328 -0.013 0.000 1.080 19 H CA 0.015 56.046 56.048 -0.028 0.000 1.433 19 H CB 0.507 30.256 29.762 -0.022 0.000 1.432 19 H HN 0.124 nan 8.280 nan 0.000 0.592 20 D N 1.449 121.841 120.400 -0.013 0.000 2.755 20 D HA -0.247 4.383 4.640 -0.017 0.000 0.227 20 D C -0.849 175.378 176.300 -0.122 0.000 1.211 20 D CA 0.742 54.711 54.000 -0.052 0.000 0.663 20 D CB -1.138 39.675 40.800 0.022 0.000 0.983 20 D HN 0.701 nan 8.370 nan 0.000 0.407 21 N N 0.917 119.540 118.700 -0.128 0.000 2.746 21 N HA 0.256 4.986 4.740 -0.017 0.000 0.250 21 N C -1.956 173.432 175.510 -0.203 0.000 1.146 21 N CA -1.879 51.089 53.050 -0.137 0.000 0.828 21 N CB 1.333 39.746 38.487 -0.124 0.000 1.158 21 N HN 0.016 nan 8.380 nan 0.000 0.519 22 P HA -0.114 nan 4.420 nan 0.000 0.216 22 P C 1.027 177.945 177.300 -0.636 0.000 1.150 22 P CA 0.918 63.795 63.100 -0.371 0.000 0.837 22 P CB 0.333 31.826 31.700 -0.345 0.000 0.786 23 A N -0.383 122.064 122.820 -0.622 0.000 1.972 23 A HA -0.156 4.154 4.320 -0.017 0.000 0.219 23 A C 2.218 179.642 177.584 -0.267 0.000 1.169 23 A CA 1.489 53.315 52.037 -0.351 0.000 0.635 23 A CB -1.499 17.542 19.000 0.068 0.000 0.810 23 A HN 0.196 nan 8.150 nan 0.000 0.446 24 L N -0.824 120.069 121.223 -0.551 0.000 2.095 24 L HA 0.038 4.367 4.340 -0.017 0.000 0.204 24 L C 2.495 179.258 176.870 -0.179 0.000 1.080 24 L CA 2.267 56.739 54.840 -0.613 0.000 0.759 24 L CB -0.610 41.025 42.059 -0.707 0.000 0.914 24 L HN 0.234 nan 8.230 nan 0.000 0.439 25 S N -1.218 114.370 115.700 -0.187 0.000 2.383 25 S HA -0.286 4.174 4.470 -0.017 0.000 0.229 25 S C 1.950 176.573 174.600 0.038 0.000 1.030 25 S CA 1.558 59.711 58.200 -0.079 0.000 1.002 25 S CB -0.581 62.561 63.200 -0.097 0.000 0.829 25 S HN 0.722 nan 8.310 nan 0.000 0.467 26 H N 0.964 119.992 119.070 -0.070 0.000 2.387 26 H HA 0.000 4.546 4.556 -0.017 0.000 0.299 26 H C 1.883 177.227 175.328 0.028 0.000 1.090 26 H CA 1.607 57.647 56.048 -0.013 0.000 1.332 26 H CB -0.076 29.685 29.762 -0.003 0.000 1.386 26 H HN 0.240 nan 8.280 nan 0.000 0.516 27 I N -0.297 120.388 120.570 0.191 0.000 2.202 27 I HA -0.248 3.912 4.170 -0.017 0.000 0.242 27 I C 1.804 177.962 176.117 0.068 0.000 1.091 27 I CA 1.192 62.577 61.300 0.141 0.000 1.368 27 I CB -1.081 37.059 38.000 0.234 0.000 1.058 27 I HN 0.270 nan 8.210 nan 0.000 0.410 28 F N 1.660 121.579 119.950 -0.051 0.000 2.113 28 F HA -0.184 4.333 4.527 -0.017 0.000 0.297 28 F C 2.859 178.615 175.800 -0.073 0.000 1.103 28 F CA 1.923 59.899 58.000 -0.041 0.000 1.248 28 F CB -1.203 37.785 39.000 -0.019 0.000 0.999 28 F HN 0.151 nan 8.300 nan 0.000 0.475 29 T N -2.411 112.191 114.554 0.081 0.000 3.035 29 T HA 0.064 4.404 4.350 -0.017 0.000 0.268 29 T C 2.029 176.663 174.700 -0.109 0.000 1.109 29 T CA 0.748 62.837 62.100 -0.018 0.000 1.119 29 T CB -0.565 68.279 68.868 -0.040 0.000 0.900 29 T HN 0.164 nan 8.240 nan 0.000 0.503 30 A N 1.795 124.500 122.820 -0.191 0.000 1.872 30 A HA 0.497 4.807 4.320 -0.017 0.000 0.214 30 A C 2.802 180.252 177.584 -0.224 0.000 1.187 30 A CA 1.366 53.252 52.037 -0.252 0.000 0.614 30 A CB -1.368 17.425 19.000 -0.345 0.000 0.826 30 A HN 0.649 nan 8.150 nan 0.000 0.442 31 A N 0.409 123.088 122.820 -0.234 0.000 1.858 31 A HA -0.209 4.101 4.320 -0.017 0.000 0.216 31 A C 1.902 179.453 177.584 -0.054 0.000 1.190 31 A CA 2.001 53.931 52.037 -0.178 0.000 0.617 31 A CB -0.708 18.171 19.000 -0.202 0.000 0.827 31 A HN 0.504 nan 8.150 nan 0.000 0.443 32 N N 0.139 118.810 118.700 -0.049 0.000 2.309 32 N HA -0.007 4.723 4.740 -0.017 0.000 0.182 32 N C 1.336 176.845 175.510 -0.003 0.000 1.018 32 N CA 1.235 54.278 53.050 -0.010 0.000 0.876 32 N CB -0.397 38.098 38.487 0.013 0.000 0.972 32 N HN 0.451 nan 8.380 nan 0.000 0.434 33 A N -0.832 121.977 122.820 -0.017 0.000 2.302 33 A HA 0.587 4.897 4.320 -0.017 0.000 0.219 33 A C 0.630 178.221 177.584 0.011 0.000 1.243 33 A CA 0.338 52.369 52.037 -0.010 0.000 0.856 33 A CB 0.015 18.999 19.000 -0.027 0.000 0.893 33 A HN 0.139 nan 8.150 nan 0.000 0.491 34 A N 0.325 123.168 122.820 0.039 0.000 3.448 34 A HA 0.569 4.879 4.320 -0.017 0.000 0.232 34 A C -2.996 174.649 177.584 0.101 0.000 1.018 34 A CA -0.931 51.165 52.037 0.099 0.000 0.996 34 A CB 0.029 19.162 19.000 0.222 0.000 1.283 34 A HN 0.161 nan 8.150 nan 0.000 0.586 35 P HA 0.279 nan 4.420 nan 0.000 0.266 35 P C 1.285 178.575 177.300 -0.017 0.000 1.193 35 P CA 2.133 65.242 63.100 0.015 0.000 0.770 35 P CB 0.672 32.373 31.700 0.003 0.000 0.836 36 G N 2.077 110.849 108.800 -0.047 0.000 2.186 36 G HA2 -0.351 3.599 3.960 -0.017 0.000 0.266 36 G HA3 -0.351 3.599 3.960 -0.017 0.000 0.266 36 G C 1.106 175.885 174.900 -0.202 0.000 0.982 36 G CA 0.494 45.528 45.100 -0.110 0.000 0.670 36 G HN 0.634 nan 8.290 nan 0.000 0.533 37 R N -1.235 119.135 120.500 -0.216 0.000 2.334 37 R HA 0.376 4.706 4.340 -0.017 0.000 0.212 37 R C -0.180 175.681 176.300 -0.731 0.000 0.897 37 R CA 0.207 56.041 56.100 -0.444 0.000 1.056 37 R CB 0.314 30.336 30.300 -0.464 0.000 1.046 37 R HN 0.420 nan 8.270 nan 0.000 0.513 38 Y N -1.483 118.622 120.300 -0.325 0.000 2.576 38 Y HA 0.419 4.959 4.550 -0.017 0.000 0.346 38 Y C -0.798 174.800 175.900 -0.505 0.000 1.018 38 Y CA -1.052 56.857 58.100 -0.318 0.000 1.050 38 Y CB 1.467 39.840 38.460 -0.145 0.000 1.280 38 Y HN -0.245 nan 8.280 nan 0.000 0.474 39 F N 0.695 120.722 119.950 0.129 0.000 2.520 39 F HA 0.645 5.162 4.527 -0.017 0.000 0.322 39 F C -0.536 175.255 175.800 -0.016 0.000 1.103 39 F CA -1.365 56.641 58.000 0.011 0.000 0.926 39 F CB 1.555 40.517 39.000 -0.063 0.000 1.154 39 F HN 0.013 nan 8.300 nan 0.000 0.453 40 V N 4.160 124.158 119.914 0.141 0.000 2.427 40 V HA 0.536 4.646 4.120 -0.017 0.000 0.286 40 V C -0.094 176.031 176.094 0.052 0.000 1.034 40 V CA -0.841 61.481 62.300 0.038 0.000 0.893 40 V CB 1.504 33.248 31.823 -0.132 0.000 0.982 40 V HN 0.568 nan 8.190 nan 0.000 0.452 41 R N 4.604 125.124 120.500 0.033 0.000 2.443 41 R HA 0.320 4.650 4.340 -0.017 0.000 0.287 41 R C -2.924 173.560 176.300 0.306 0.000 1.425 41 R CA -1.765 54.299 56.100 -0.061 0.000 1.300 41 R CB 1.738 31.664 30.300 -0.623 0.000 1.129 41 R HN 0.424 nan 8.270 nan 0.000 0.577 42 P HA 0.178 nan 4.420 nan 0.000 0.279 42 P C -0.069 177.685 177.300 0.757 0.000 1.318 42 P CA -0.156 63.350 63.100 0.678 0.000 0.819 42 P CB 0.320 32.498 31.700 0.796 0.000 0.927 43 I N 0.104 121.068 120.570 0.657 0.000 2.648 43 I HA 0.728 4.888 4.170 -0.017 0.000 0.304 43 I C -1.049 175.519 176.117 0.752 0.000 1.009 43 I CA -1.270 60.389 61.300 0.599 0.000 1.114 43 I CB 2.007 40.215 38.000 0.347 0.000 1.293 43 I HN 0.038 nan 8.210 nan 0.000 0.449 44 F N 5.458 125.678 119.950 0.450 0.000 2.518 44 F HA 0.639 5.156 4.527 -0.016 0.000 0.323 44 F C -0.892 175.095 175.800 0.311 0.000 1.129 44 F CA -0.765 57.499 58.000 0.440 0.000 0.920 44 F CB 1.480 40.667 39.000 0.313 0.000 1.160 44 F HN 0.353 nan 8.300 nan 0.000 0.440 45 I N 7.337 127.848 120.570 -0.098 0.000 2.301 45 I HA 0.217 4.377 4.170 -0.017 0.000 0.292 45 I C -1.033 175.012 176.117 -0.120 0.000 1.046 45 I CA -0.675 60.558 61.300 -0.112 0.000 1.282 45 I CB 1.129 39.007 38.000 -0.203 0.000 1.409 45 I HN 0.388 nan 8.210 nan 0.000 0.484 46 L N 7.427 128.715 121.223 0.108 0.000 2.296 46 L HA 0.424 4.754 4.340 -0.017 0.000 0.286 46 L C -0.359 176.608 176.870 0.163 0.000 1.023 46 L CA -0.072 54.911 54.840 0.239 0.000 0.812 46 L CB 1.298 43.574 42.059 0.362 0.000 1.223 46 L HN 0.398 nan 8.230 nan 0.000 0.421 47 D N 6.907 127.423 120.400 0.193 0.000 2.411 47 D HA 0.288 4.918 4.640 -0.017 0.000 0.225 47 D C -1.853 174.541 176.300 0.157 0.000 1.156 47 D CA -1.771 52.326 54.000 0.163 0.000 0.874 47 D CB 1.747 42.665 40.800 0.198 0.000 1.034 47 D HN 0.416 nan 8.370 nan 0.000 0.502 48 P HA 0.027 nan 4.420 nan 0.000 0.229 48 P C 1.309 178.640 177.300 0.052 0.000 1.160 48 P CA 0.261 63.395 63.100 0.057 0.000 0.777 48 P CB 0.355 32.080 31.700 0.042 0.000 0.814 49 G N 1.620 110.469 108.800 0.082 0.000 2.422 49 G HA2 -0.165 3.785 3.960 -0.017 0.000 0.218 49 G HA3 -0.165 3.785 3.960 -0.017 0.000 0.218 49 G C 1.075 176.058 174.900 0.139 0.000 1.146 49 G CA 0.364 45.516 45.100 0.087 0.000 0.769 49 G HN 0.455 nan 8.290 nan 0.000 0.547 50 I N -1.424 119.277 120.570 0.218 0.000 2.410 50 I HA 0.487 4.647 4.170 -0.017 0.000 0.288 50 I C 0.663 176.989 176.117 0.348 0.000 1.106 50 I CA -0.205 61.327 61.300 0.386 0.000 1.389 50 I CB 0.386 38.749 38.000 0.606 0.000 1.561 50 I HN -0.070 nan 8.210 nan 0.000 0.605 51 L N 1.353 122.643 121.223 0.112 0.000 2.537 51 L HA 0.243 4.573 4.340 -0.017 0.000 0.224 51 L C 0.380 177.222 176.870 -0.046 0.000 1.065 51 L CA 0.257 54.958 54.840 -0.233 0.000 0.860 51 L CB 0.097 41.905 42.059 -0.418 0.000 1.086 51 L HN 0.542 nan 8.230 nan 0.000 0.482 52 D N -2.115 118.356 120.400 0.119 0.000 2.772 52 D HA 0.018 4.648 4.640 -0.017 0.000 0.272 52 D C -0.314 176.158 176.300 0.288 0.000 1.314 52 D CA -0.385 53.714 54.000 0.166 0.000 0.835 52 D CB -0.153 40.700 40.800 0.088 0.000 1.080 52 D HN 0.080 nan 8.370 nan 0.000 0.482 53 W N 2.196 123.599 121.300 0.171 0.000 2.332 53 W HA 0.344 4.994 4.660 -0.016 0.000 0.306 53 W C 1.042 177.657 176.519 0.160 0.000 1.149 53 W CA -1.686 55.746 57.345 0.145 0.000 1.271 53 W CB 0.598 30.139 29.460 0.136 0.000 1.243 53 W HN -0.119 nan 8.180 nan 0.000 0.459 54 M N 3.210 123.040 119.600 0.382 0.000 2.240 54 M HA -0.359 4.111 4.480 -0.017 0.000 0.250 54 M C 1.654 177.923 176.300 -0.051 0.000 1.075 54 M CA 2.104 57.508 55.300 0.173 0.000 1.072 54 M CB -0.936 31.800 32.600 0.226 0.000 1.305 54 M HN 0.526 nan 8.290 nan 0.000 0.414 55 Q N 0.069 119.676 119.800 -0.321 0.000 2.557 55 Q HA 0.026 4.356 4.340 -0.017 0.000 0.217 55 Q C -0.259 175.454 176.000 -0.477 0.000 0.978 55 Q CA 0.439 56.010 55.803 -0.387 0.000 0.950 55 Q CB -0.402 28.110 28.738 -0.377 0.000 0.991 55 Q HN 0.380 nan 8.270 nan 0.000 0.533 56 V N 0.218 119.872 119.914 -0.433 0.000 2.380 56 V HA 0.455 4.565 4.120 -0.017 0.000 0.286 56 V C 0.601 176.578 176.094 -0.195 0.000 1.015 56 V CA -0.907 61.126 62.300 -0.446 0.000 0.834 56 V CB 1.215 32.571 31.823 -0.779 0.000 1.009 56 V HN 0.145 nan 8.190 nan 0.000 0.428 57 G N 2.762 111.464 108.800 -0.165 0.000 2.636 57 G HA2 0.412 4.362 3.960 -0.017 0.000 0.246 57 G HA3 0.412 4.362 3.960 -0.017 0.000 0.246 57 G C 1.108 176.054 174.900 0.077 0.000 1.216 57 G CA 0.200 45.292 45.100 -0.014 0.000 0.854 57 G HN 0.988 nan 8.290 nan 0.000 0.572 58 A N 0.910 123.843 122.820 0.190 0.000 1.933 58 A HA -0.130 4.180 4.320 -0.017 0.000 0.218 58 A C 2.338 180.049 177.584 0.211 0.000 1.175 58 A CA 1.759 53.964 52.037 0.280 0.000 0.628 58 A CB -0.451 18.661 19.000 0.186 0.000 0.814 58 A HN 0.613 nan 8.150 nan 0.000 0.444 59 N N -0.401 118.371 118.700 0.119 0.000 2.104 59 N HA -0.187 4.543 4.740 -0.017 0.000 0.190 59 N C 1.867 177.454 175.510 0.129 0.000 1.024 59 N CA 1.647 54.766 53.050 0.114 0.000 0.853 59 N CB -0.377 38.159 38.487 0.082 0.000 1.008 59 N HN 0.629 nan 8.380 nan 0.000 0.424 60 R N -0.438 120.081 120.500 0.032 0.000 2.115 60 R HA -0.050 4.280 4.340 -0.017 0.000 0.226 60 R C 2.056 178.388 176.300 0.054 0.000 1.100 60 R CA 0.991 57.093 56.100 0.002 0.000 0.980 60 R CB -0.203 29.985 30.300 -0.187 0.000 0.875 60 R HN 0.284 nan 8.270 nan 0.000 0.445 61 W N 0.316 121.681 121.300 0.110 0.000 2.363 61 W HA -0.129 4.521 4.660 -0.018 0.000 0.296 61 W C 2.464 179.017 176.519 0.056 0.000 1.212 61 W CA 0.942 58.336 57.345 0.081 0.000 1.260 61 W CB -0.069 29.424 29.460 0.055 0.000 1.131 61 W HN 0.132 nan 8.180 nan 0.000 0.530 62 R N -0.165 120.507 120.500 0.286 0.000 2.081 62 R HA -0.200 4.130 4.340 -0.017 0.000 0.235 62 R C 2.137 178.500 176.300 0.104 0.000 1.131 62 R CA 1.767 57.964 56.100 0.163 0.000 0.960 62 R CB -0.888 29.494 30.300 0.136 0.000 0.856 62 R HN 0.161 nan 8.270 nan 0.000 0.436 63 F N 0.721 120.669 119.950 -0.003 0.000 2.095 63 F HA -0.229 4.288 4.527 -0.017 0.000 0.298 63 F C 1.942 177.581 175.800 -0.268 0.000 1.104 63 F CA 1.494 59.434 58.000 -0.100 0.000 1.232 63 F CB -0.259 38.710 39.000 -0.051 0.000 0.987 63 F HN 0.108 nan 8.300 nan 0.000 0.475 64 L N 0.303 121.483 121.223 -0.072 0.000 2.056 64 L HA -0.209 4.121 4.340 -0.017 0.000 0.207 64 L C 2.496 179.244 176.870 -0.204 0.000 1.078 64 L CA 1.773 56.452 54.840 -0.268 0.000 0.749 64 L CB -1.114 40.927 42.059 -0.030 0.000 0.901 64 L HN 0.222 nan 8.230 nan 0.000 0.433 65 Q N -0.281 119.484 119.800 -0.059 0.000 2.096 65 Q HA -0.272 4.058 4.340 -0.017 0.000 0.204 65 Q C 2.149 178.063 176.000 -0.144 0.000 0.982 65 Q CA 2.236 57.999 55.803 -0.067 0.000 0.850 65 Q CB -0.179 28.560 28.738 0.002 0.000 0.901 65 Q HN 0.703 nan 8.270 nan 0.000 0.422 66 Q N -0.941 118.744 119.800 -0.191 0.000 2.172 66 Q HA -0.069 4.261 4.340 -0.017 0.000 0.200 66 Q C 2.018 177.840 176.000 -0.296 0.000 0.964 66 Q CA 1.721 57.383 55.803 -0.236 0.000 0.855 66 Q CB 0.117 28.691 28.738 -0.274 0.000 0.918 66 Q HN 0.383 nan 8.270 nan 0.000 0.444 67 T N 1.255 115.573 114.554 -0.393 0.000 2.777 67 T HA -0.065 4.275 4.350 -0.017 0.000 0.266 67 T C 1.835 176.342 174.700 -0.322 0.000 1.040 67 T CA 0.790 62.659 62.100 -0.384 0.000 1.141 67 T CB -0.127 68.448 68.868 -0.488 0.000 0.868 67 T HN 0.164 nan 8.240 nan 0.000 0.444 68 L N 0.626 121.648 121.223 -0.334 0.000 2.141 68 L HA -0.028 4.302 4.340 -0.017 0.000 0.209 68 L C 2.775 179.515 176.870 -0.217 0.000 1.094 68 L CA 1.232 55.883 54.840 -0.315 0.000 0.763 68 L CB -0.427 41.442 42.059 -0.317 0.000 0.908 68 L HN 0.312 nan 8.230 nan 0.000 0.437 69 E N 0.074 120.165 120.200 -0.182 0.000 2.107 69 E HA -0.254 4.086 4.350 -0.017 0.000 0.191 69 E C 1.670 178.190 176.600 -0.133 0.000 0.982 69 E CA 1.235 57.553 56.400 -0.136 0.000 0.809 69 E CB 0.179 29.809 29.700 -0.116 0.000 0.756 69 E HN 0.369 nan 8.360 nan 0.000 0.459 70 D N 0.157 120.465 120.400 -0.154 0.000 2.091 70 D HA -0.164 4.466 4.640 -0.017 0.000 0.199 70 D C 2.051 178.272 176.300 -0.132 0.000 0.980 70 D CA 0.603 54.524 54.000 -0.132 0.000 0.831 70 D CB -0.208 40.510 40.800 -0.136 0.000 0.987 70 D HN 0.157 nan 8.370 nan 0.000 0.460 71 L N 0.862 121.979 121.223 -0.177 0.000 2.051 71 L HA -0.191 4.139 4.340 -0.017 0.000 0.214 71 L C 1.791 178.567 176.870 -0.158 0.000 1.076 71 L CA 2.134 56.849 54.840 -0.208 0.000 0.758 71 L CB -0.939 40.906 42.059 -0.357 0.000 0.890 71 L HN 0.070 nan 8.230 nan 0.000 0.433 72 D N -1.188 119.124 120.400 -0.147 0.000 2.117 72 D HA -0.190 4.440 4.640 -0.017 0.000 0.197 72 D C 1.825 178.079 176.300 -0.077 0.000 0.987 72 D CA 1.223 55.157 54.000 -0.110 0.000 0.829 72 D CB -0.081 40.651 40.800 -0.112 0.000 0.961 72 D HN 0.356 nan 8.370 nan 0.000 0.460 73 N N -0.030 118.624 118.700 -0.077 0.000 2.223 73 N HA -0.112 4.618 4.740 -0.017 0.000 0.185 73 N C 1.676 177.162 175.510 -0.040 0.000 1.016 73 N CA 0.728 53.745 53.050 -0.056 0.000 0.863 73 N CB -0.168 38.283 38.487 -0.060 0.000 0.983 73 N HN 0.334 nan 8.380 nan 0.000 0.429 74 Q N 0.324 120.097 119.800 -0.046 0.000 2.187 74 Q HA 0.132 4.462 4.340 -0.017 0.000 0.199 74 Q C 2.271 178.268 176.000 -0.005 0.000 0.957 74 Q CA 0.416 56.202 55.803 -0.029 0.000 0.857 74 Q CB -0.223 28.491 28.738 -0.038 0.000 0.929 74 Q HN 0.403 nan 8.270 nan 0.000 0.453 75 L N 0.178 121.404 121.223 0.005 0.000 2.156 75 L HA -0.071 4.259 4.340 -0.017 0.000 0.208 75 L C 2.630 179.549 176.870 0.081 0.000 1.095 75 L CA 0.726 55.611 54.840 0.075 0.000 0.770 75 L CB -0.267 41.853 42.059 0.102 0.000 0.914 75 L HN 0.138 nan 8.230 nan 0.000 0.439 76 R N 0.746 121.261 120.500 0.025 0.000 2.091 76 R HA -0.194 4.136 4.340 -0.017 0.000 0.238 76 R C 2.171 178.493 176.300 0.037 0.000 1.136 76 R CA 1.517 57.628 56.100 0.019 0.000 0.959 76 R CB 0.008 30.301 30.300 -0.011 0.000 0.856 76 R HN 0.255 nan 8.270 nan 0.000 0.437 77 K N 0.051 120.470 120.400 0.031 0.000 2.211 77 K HA -0.071 4.239 4.320 -0.017 0.000 0.203 77 K C 1.293 177.929 176.600 0.060 0.000 1.050 77 K CA 0.845 57.152 56.287 0.032 0.000 0.945 77 K CB 0.075 32.584 32.500 0.014 0.000 0.732 77 K HN 0.258 nan 8.250 nan 0.000 0.451 78 L N 1.233 122.516 121.223 0.099 0.000 2.688 78 L HA 0.109 4.439 4.340 -0.017 0.000 0.234 78 L C -0.500 176.490 176.870 0.201 0.000 1.192 78 L CA -0.274 54.668 54.840 0.170 0.000 0.984 78 L CB -0.441 41.760 42.059 0.236 0.000 1.232 78 L HN 0.218 nan 8.230 nan 0.000 0.465 79 N N -0.973 117.802 118.700 0.125 0.000 2.741 79 N HA -0.197 4.533 4.740 -0.017 0.000 0.250 79 N C 0.149 175.723 175.510 0.107 0.000 1.115 79 N CA 1.184 54.292 53.050 0.098 0.000 0.724 79 N CB -1.205 37.331 38.487 0.083 0.000 1.090 79 N HN 0.467 nan 8.380 nan 0.000 0.558 80 S N -0.927 114.855 115.700 0.137 0.000 3.255 80 S HA 0.880 5.340 4.470 -0.017 0.000 0.305 80 S C -0.609 174.028 174.600 0.061 0.000 1.067 80 S CA -0.075 58.208 58.200 0.138 0.000 0.966 80 S CB 1.466 64.819 63.200 0.254 0.000 1.366 80 S HN 0.501 nan 8.310 nan 0.000 0.717 81 R N -0.525 119.979 120.500 0.006 0.000 2.752 81 R HA 0.609 4.939 4.340 -0.017 0.000 0.277 81 R C -2.116 174.017 176.300 -0.279 0.000 1.024 81 R CA -0.874 55.119 56.100 -0.178 0.000 0.866 81 R CB 0.071 30.176 30.300 -0.326 0.000 1.278 81 R HN 0.460 nan 8.270 nan 0.000 0.473 82 L N 0.614 121.662 121.223 -0.292 0.000 2.379 82 L HA 0.585 4.915 4.340 -0.017 0.000 0.269 82 L C -1.372 175.249 176.870 -0.416 0.000 1.084 82 L CA -0.224 54.512 54.840 -0.173 0.000 0.802 82 L CB 1.045 43.061 42.059 -0.072 0.000 1.175 82 L HN 0.610 nan 8.230 nan 0.000 0.448 83 F N 4.027 124.090 119.950 0.188 0.000 2.532 83 F HA 0.347 4.864 4.527 -0.016 0.000 0.365 83 F C -0.230 175.678 175.800 0.179 0.000 1.112 83 F CA -0.809 57.280 58.000 0.149 0.000 1.082 83 F CB 1.255 40.260 39.000 0.009 0.000 1.319 83 F HN 0.022 nan 8.300 nan 0.000 0.457 84 V N 4.482 124.605 119.914 0.348 0.000 2.287 84 V HA 0.130 4.240 4.120 -0.017 0.000 0.246 84 V C 0.228 176.530 176.094 0.346 0.000 1.165 84 V CA -0.538 61.976 62.300 0.357 0.000 1.088 84 V CB -0.042 31.950 31.823 0.283 0.000 1.242 84 V HN 0.412 nan 8.190 nan 0.000 0.497 85 V N 5.680 125.718 119.914 0.206 0.000 2.488 85 V HA 0.312 4.422 4.120 -0.017 0.000 0.277 85 V C 0.636 176.809 176.094 0.131 0.000 1.046 85 V CA -0.559 61.803 62.300 0.103 0.000 0.986 85 V CB 0.984 32.674 31.823 -0.221 0.000 0.989 85 V HN 0.749 nan 8.190 nan 0.000 0.475 86 R N 2.973 123.587 120.500 0.189 0.000 2.390 86 R HA 0.701 5.031 4.340 -0.017 0.000 0.291 86 R C 0.521 176.845 176.300 0.039 0.000 1.070 86 R CA 0.847 57.018 56.100 0.118 0.000 1.014 86 R CB 1.136 31.509 30.300 0.121 0.000 1.007 86 R HN 1.175 nan 8.270 nan 0.000 0.466 87 G N 1.228 110.040 108.800 0.019 0.000 2.347 87 G HA2 -0.066 3.884 3.960 -0.017 0.000 0.477 87 G HA3 -0.066 3.884 3.960 -0.017 0.000 0.477 87 G C -1.398 173.478 174.900 -0.039 0.000 1.349 87 G CA -1.144 43.944 45.100 -0.021 0.000 1.000 87 G HN 0.427 nan 8.290 nan 0.000 0.605 88 K N 1.168 121.544 120.400 -0.041 0.000 2.249 88 K HA 0.375 4.685 4.320 -0.017 0.000 0.280 88 K C -1.497 175.027 176.600 -0.127 0.000 1.033 88 K CA -1.499 54.767 56.287 -0.036 0.000 0.946 88 K CB 1.690 34.189 32.500 -0.002 0.000 1.005 88 K HN 0.127 nan 8.250 nan 0.000 0.469 89 P HA -0.248 nan 4.420 nan 0.000 0.216 89 P C 0.806 178.035 177.300 -0.118 0.000 1.150 89 P CA 1.279 64.214 63.100 -0.276 0.000 0.843 89 P CB 0.175 31.825 31.700 -0.084 0.000 0.787 90 A N -0.046 122.755 122.820 -0.032 0.000 1.940 90 A HA -0.240 4.070 4.320 -0.017 0.000 0.219 90 A C 2.387 179.955 177.584 -0.027 0.000 1.176 90 A CA 1.760 53.798 52.037 0.002 0.000 0.631 90 A CB -1.110 17.889 19.000 -0.003 0.000 0.814 90 A HN 0.141 nan 8.150 nan 0.000 0.446 91 E N 0.080 120.238 120.200 -0.070 0.000 2.051 91 E HA -0.074 4.266 4.350 -0.017 0.000 0.189 91 E C 2.098 178.606 176.600 -0.153 0.000 0.979 91 E CA 1.380 57.730 56.400 -0.085 0.000 0.803 91 E CB -0.259 29.398 29.700 -0.072 0.000 0.761 91 E HN 0.285 nan 8.360 nan 0.000 0.451 92 V N 1.034 120.793 119.914 -0.259 0.000 2.261 92 V HA -0.238 3.872 4.120 -0.017 0.000 0.246 92 V C 2.340 178.110 176.094 -0.540 0.000 1.047 92 V CA 1.811 63.856 62.300 -0.425 0.000 1.015 92 V CB -0.753 30.733 31.823 -0.563 0.000 0.642 92 V HN 0.157 nan 8.190 nan 0.000 0.446 93 F N 0.185 119.833 119.950 -0.504 0.000 2.065 93 F HA -0.125 4.392 4.527 -0.017 0.000 0.298 93 F C 0.193 175.643 175.800 -0.583 0.000 1.112 93 F CA 2.200 59.747 58.000 -0.755 0.000 1.212 93 F CB -2.368 36.226 39.000 -0.676 0.000 0.975 93 F HN 0.269 nan 8.300 nan 0.000 0.476 94 P HA -0.217 nan 4.420 nan 0.000 0.216 94 P C 1.591 178.890 177.300 -0.001 0.000 1.153 94 P CA 1.995 65.171 63.100 0.126 0.000 0.858 94 P CB -0.194 31.545 31.700 0.066 0.000 0.789 95 R N 0.665 121.082 120.500 -0.139 0.000 2.070 95 R HA -0.152 4.177 4.340 -0.017 0.000 0.232 95 R C 2.184 178.290 176.300 -0.323 0.000 1.138 95 R CA 2.273 58.258 56.100 -0.191 0.000 0.936 95 R CB -1.025 29.149 30.300 -0.210 0.000 0.839 95 R HN 0.175 nan 8.270 nan 0.000 0.429 96 I N -1.621 118.590 120.570 -0.598 0.000 2.676 96 I HA -0.027 4.133 4.170 -0.017 0.000 0.259 96 I C 1.474 177.257 176.117 -0.556 0.000 1.194 96 I CA 1.030 61.685 61.300 -1.074 0.000 1.473 96 I CB -0.397 36.490 38.000 -1.855 0.000 1.096 96 I HN -0.011 nan 8.210 nan 0.000 0.443 97 F N 1.988 121.809 119.950 -0.216 0.000 2.102 97 F HA -0.045 4.472 4.527 -0.016 0.000 0.298 97 F C 2.424 178.216 175.800 -0.013 0.000 1.105 97 F CA 1.391 59.365 58.000 -0.044 0.000 1.239 97 F CB -0.714 38.277 39.000 -0.016 0.000 0.991 97 F HN 0.037 nan 8.300 nan 0.000 0.474 98 K N -0.200 120.289 120.400 0.149 0.000 2.044 98 K HA -0.074 4.236 4.320 -0.017 0.000 0.204 98 K C 2.162 178.813 176.600 0.085 0.000 1.049 98 K CA 1.580 57.924 56.287 0.095 0.000 0.945 98 K CB -0.406 32.126 32.500 0.053 0.000 0.724 98 K HN 0.256 nan 8.250 nan 0.000 0.440 99 S N -0.257 115.453 115.700 0.017 0.000 2.461 99 S HA -0.077 4.383 4.470 -0.017 0.000 0.228 99 S C 1.263 176.032 174.600 0.282 0.000 1.005 99 S CA 0.233 58.476 58.200 0.072 0.000 0.942 99 S CB -0.201 62.987 63.200 -0.019 0.000 0.776 99 S HN 0.336 nan 8.310 nan 0.000 0.514 100 W N 1.554 122.888 121.300 0.057 0.000 3.107 100 W HA 0.472 5.122 4.660 -0.017 0.000 0.293 100 W C 0.425 177.016 176.519 0.119 0.000 1.239 100 W CA -1.139 56.245 57.345 0.064 0.000 1.653 100 W CB -0.675 28.802 29.460 0.027 0.000 1.068 100 W HN 0.238 nan 8.180 nan 0.000 0.615 101 R N -0.316 120.377 120.500 0.321 0.000 3.267 101 R HA -0.156 4.174 4.340 -0.017 0.000 0.254 101 R C -0.409 176.052 176.300 0.268 0.000 0.993 101 R CA 0.213 56.456 56.100 0.238 0.000 0.670 101 R CB -2.475 27.934 30.300 0.182 0.000 1.125 101 R HN -0.215 nan 8.270 nan 0.000 0.434 102 V N 0.965 121.086 119.914 0.345 0.000 2.529 102 V HA -0.048 4.062 4.120 -0.017 0.000 0.292 102 V C 1.771 178.017 176.094 0.254 0.000 1.028 102 V CA 0.704 63.229 62.300 0.375 0.000 1.074 102 V CB 1.381 33.546 31.823 0.569 0.000 0.958 102 V HN 0.427 nan 8.190 nan 0.000 0.481 103 E N 3.791 124.138 120.200 0.245 0.000 2.307 103 E HA 0.196 4.536 4.350 -0.017 0.000 0.195 103 E C 0.466 177.162 176.600 0.161 0.000 0.975 103 E CA 0.190 56.704 56.400 0.190 0.000 0.878 103 E CB 0.528 30.382 29.700 0.256 0.000 0.845 103 E HN 0.704 nan 8.360 nan 0.000 0.488 104 M N 1.211 120.928 119.600 0.195 0.000 2.421 104 M HA 0.369 4.839 4.480 -0.017 0.000 0.287 104 M C -2.197 174.242 176.300 0.231 0.000 1.183 104 M CA -0.634 54.769 55.300 0.170 0.000 0.916 104 M CB 2.197 34.879 32.600 0.137 0.000 1.701 104 M HN -0.034 nan 8.290 nan 0.000 0.470 105 L N 3.449 124.805 121.223 0.221 0.000 2.385 105 L HA 0.792 5.122 4.340 -0.017 0.000 0.273 105 L C -0.928 176.081 176.870 0.232 0.000 0.990 105 L CA -0.223 54.792 54.840 0.292 0.000 0.821 105 L CB 2.260 44.525 42.059 0.343 0.000 1.279 105 L HN 0.897 nan 8.230 nan 0.000 0.412 106 T N 0.684 115.412 114.554 0.290 0.000 2.900 106 T HA 0.812 5.152 4.350 -0.017 0.000 0.295 106 T C -0.763 174.110 174.700 0.289 0.000 1.044 106 T CA -0.599 61.613 62.100 0.187 0.000 0.995 106 T CB 1.890 70.901 68.868 0.238 0.000 1.072 106 T HN 0.451 nan 8.240 nan 0.000 0.473 107 F N -1.746 118.292 119.950 0.148 0.000 2.719 107 F HA 0.698 5.215 4.527 -0.017 0.000 0.309 107 F C -0.736 175.109 175.800 0.075 0.000 1.138 107 F CA -1.343 56.660 58.000 0.006 0.000 0.943 107 F CB 1.140 40.086 39.000 -0.091 0.000 1.304 107 F HN 0.763 nan 8.300 nan 0.000 0.445 108 E N 1.497 121.858 120.200 0.268 0.000 2.373 108 E HA 0.346 4.686 4.350 -0.017 0.000 0.267 108 E C -0.311 176.438 176.600 0.249 0.000 1.032 108 E CA -0.333 56.191 56.400 0.206 0.000 0.889 108 E CB 1.117 30.928 29.700 0.185 0.000 0.984 108 E HN 0.791 nan 8.360 nan 0.000 0.425 109 T N 1.282 115.940 114.554 0.173 0.000 2.918 109 T HA 0.169 4.509 4.350 -0.017 0.000 0.302 109 T C -0.232 174.530 174.700 0.104 0.000 1.045 109 T CA -0.796 61.408 62.100 0.173 0.000 1.114 109 T CB 1.129 70.067 68.868 0.117 0.000 0.965 109 T HN 0.308 nan 8.240 nan 0.000 0.540 110 D N 1.051 121.495 120.400 0.073 0.000 2.542 110 D HA 0.299 4.929 4.640 -0.017 0.000 0.252 110 D C 1.202 177.524 176.300 0.037 0.000 1.222 110 D CA -0.978 53.031 54.000 0.015 0.000 0.895 110 D CB 0.843 41.601 40.800 -0.069 0.000 1.207 110 D HN 0.628 nan 8.370 nan 0.000 0.558 111 I N 0.200 120.832 120.570 0.102 0.000 2.567 111 I HA 0.042 4.202 4.170 -0.017 0.000 0.257 111 I C 0.568 176.667 176.117 -0.030 0.000 1.184 111 I CA 0.508 61.864 61.300 0.094 0.000 1.451 111 I CB -0.326 37.792 38.000 0.198 0.000 1.089 111 I HN 0.207 nan 8.210 nan 0.000 0.441 112 E N 2.457 122.571 120.200 -0.142 0.000 2.467 112 E HA -0.053 4.287 4.350 -0.017 0.000 0.264 112 E C -1.540 174.833 176.600 -0.379 0.000 1.020 112 E CA -0.801 55.300 56.400 -0.497 0.000 0.945 112 E CB 0.082 29.496 29.700 -0.475 0.000 0.942 112 E HN 0.182 nan 8.360 nan 0.000 0.449 113 P HA -0.191 nan 4.420 nan 0.000 0.214 113 P C 1.137 178.377 177.300 -0.101 0.000 1.162 113 P CA 1.084 64.064 63.100 -0.200 0.000 0.879 113 P CB -0.087 31.527 31.700 -0.143 0.000 0.786 114 Y N 1.285 121.450 120.300 -0.225 0.000 2.228 114 Y HA -0.259 4.281 4.550 -0.017 0.000 0.285 114 Y C 2.217 178.063 175.900 -0.090 0.000 1.178 114 Y CA 2.171 60.197 58.100 -0.123 0.000 1.202 114 Y CB -0.707 37.688 38.460 -0.109 0.000 0.974 114 Y HN 0.032 nan 8.280 nan 0.000 0.527 115 S N -2.377 113.270 115.700 -0.089 0.000 2.421 115 S HA -0.075 4.385 4.470 -0.017 0.000 0.224 115 S C 2.013 176.546 174.600 -0.111 0.000 1.035 115 S CA 0.707 58.832 58.200 -0.126 0.000 0.953 115 S CB -0.835 62.306 63.200 -0.098 0.000 0.810 115 S HN 0.184 nan 8.310 nan 0.000 0.497 116 V N 3.441 123.305 119.914 -0.083 0.000 2.282 116 V HA -0.216 3.894 4.120 -0.017 0.000 0.249 116 V C 3.249 179.319 176.094 -0.039 0.000 1.057 116 V CA 2.432 64.710 62.300 -0.037 0.000 1.032 116 V CB -1.426 30.384 31.823 -0.022 0.000 0.645 116 V HN 0.883 nan 8.190 nan 0.000 0.447 117 T N -1.624 112.887 114.554 -0.071 0.000 2.904 117 T HA -0.199 4.141 4.350 -0.017 0.000 0.267 117 T C 1.962 176.606 174.700 -0.092 0.000 1.059 117 T CA 1.317 63.376 62.100 -0.070 0.000 1.137 117 T CB -0.308 68.516 68.868 -0.073 0.000 0.879 117 T HN 0.441 nan 8.240 nan 0.000 0.467 118 R N 1.196 121.605 120.500 -0.152 0.000 2.073 118 R HA -0.095 4.235 4.340 -0.017 0.000 0.229 118 R C 1.664 177.941 176.300 -0.038 0.000 1.120 118 R CA 1.794 57.815 56.100 -0.132 0.000 0.967 118 R CB -0.409 29.758 30.300 -0.222 0.000 0.862 118 R HN 0.315 nan 8.270 nan 0.000 0.436 119 D N 0.666 121.041 120.400 -0.043 0.000 2.097 119 D HA -0.106 4.524 4.640 -0.017 0.000 0.195 119 D C 1.787 178.116 176.300 0.047 0.000 0.989 119 D CA 1.645 55.636 54.000 -0.016 0.000 0.827 119 D CB -0.335 40.454 40.800 -0.018 0.000 0.966 119 D HN 0.362 nan 8.370 nan 0.000 0.456 120 A N 0.914 123.755 122.820 0.035 0.000 1.940 120 A HA -0.098 4.212 4.320 -0.017 0.000 0.219 120 A C 2.283 179.875 177.584 0.014 0.000 1.176 120 A CA 2.321 54.379 52.037 0.035 0.000 0.631 120 A CB -0.824 18.188 19.000 0.019 0.000 0.814 120 A HN 0.241 nan 8.150 nan 0.000 0.446 121 A N -0.668 122.150 122.820 -0.004 0.000 1.933 121 A HA 0.015 4.325 4.320 -0.017 0.000 0.218 121 A C 2.228 179.805 177.584 -0.012 0.000 1.175 121 A CA 1.801 53.832 52.037 -0.010 0.000 0.628 121 A CB -0.822 18.166 19.000 -0.020 0.000 0.814 121 A HN 0.394 nan 8.150 nan 0.000 0.444 122 V N -0.475 119.423 119.914 -0.026 0.000 2.307 122 V HA -0.272 3.838 4.120 -0.017 0.000 0.245 122 V C 2.642 178.704 176.094 -0.054 0.000 1.045 122 V CA 2.191 64.430 62.300 -0.102 0.000 1.024 122 V CB -0.794 30.875 31.823 -0.258 0.000 0.651 122 V HN 0.700 nan 8.190 nan 0.000 0.449 123 Q N -0.390 119.421 119.800 0.018 0.000 2.226 123 Q HA -0.188 4.142 4.340 -0.017 0.000 0.204 123 Q C 2.288 178.286 176.000 -0.003 0.000 0.975 123 Q CA 1.385 57.215 55.803 0.045 0.000 0.866 123 Q CB 0.000 28.800 28.738 0.104 0.000 0.915 123 Q HN 0.567 nan 8.270 nan 0.000 0.440 124 K N -0.128 120.267 120.400 -0.008 0.000 2.001 124 K HA -0.158 4.152 4.320 -0.017 0.000 0.208 124 K C 1.997 178.571 176.600 -0.043 0.000 1.048 124 K CA 1.084 57.358 56.287 -0.021 0.000 0.932 124 K CB -0.219 32.273 32.500 -0.012 0.000 0.715 124 K HN 0.172 nan 8.250 nan 0.000 0.437 125 L N 1.295 122.495 121.223 -0.038 0.000 2.127 125 L HA -0.151 4.179 4.340 -0.017 0.000 0.211 125 L C 2.109 178.880 176.870 -0.165 0.000 1.089 125 L CA 1.731 56.540 54.840 -0.051 0.000 0.757 125 L CB -0.655 41.423 42.059 0.033 0.000 0.899 125 L HN 0.130 nan 8.230 nan 0.000 0.434 126 A N -0.370 122.343 122.820 -0.177 0.000 1.865 126 A HA -0.295 4.015 4.320 -0.017 0.000 0.217 126 A C 2.402 179.846 177.584 -0.232 0.000 1.191 126 A CA 2.121 53.983 52.037 -0.291 0.000 0.623 126 A CB -0.674 18.246 19.000 -0.132 0.000 0.826 126 A HN 0.443 nan 8.150 nan 0.000 0.444 127 K N -0.042 120.280 120.400 -0.130 0.000 2.097 127 K HA 0.032 4.342 4.320 -0.017 0.000 0.206 127 K C 1.925 178.464 176.600 -0.101 0.000 1.049 127 K CA 1.504 57.734 56.287 -0.096 0.000 0.933 127 K CB -0.491 31.974 32.500 -0.058 0.000 0.717 127 K HN 0.342 nan 8.250 nan 0.000 0.442 128 A N 0.518 123.276 122.820 -0.104 0.000 2.019 128 A HA -0.093 4.217 4.320 -0.017 0.000 0.219 128 A C 1.329 178.845 177.584 -0.112 0.000 1.164 128 A CA 1.567 53.551 52.037 -0.088 0.000 0.644 128 A CB -0.238 18.722 19.000 -0.066 0.000 0.805 128 A HN 0.317 nan 8.150 nan 0.000 0.449 129 E N -1.238 118.848 120.200 -0.190 0.000 2.501 129 E HA 0.235 4.575 4.350 -0.017 0.000 0.201 129 E C 0.791 177.273 176.600 -0.196 0.000 1.016 129 E CA 0.455 56.725 56.400 -0.216 0.000 0.920 129 E CB -0.088 29.391 29.700 -0.367 0.000 1.023 129 E HN 0.678 nan 8.360 nan 0.000 0.474 130 G N 1.673 110.377 108.800 -0.161 0.000 2.359 130 G HA2 -0.248 3.701 3.960 -0.017 0.000 0.298 130 G HA3 -0.248 3.701 3.960 -0.017 0.000 0.298 130 G C 0.075 174.897 174.900 -0.129 0.000 1.030 130 G CA 0.440 45.472 45.100 -0.113 0.000 1.149 130 G HN 0.099 nan 8.290 nan 0.000 0.512 131 V N 1.040 120.838 119.914 -0.193 0.000 2.378 131 V HA 0.446 4.556 4.120 -0.017 0.000 0.288 131 V C 0.990 177.039 176.094 -0.075 0.000 1.016 131 V CA -1.185 61.017 62.300 -0.164 0.000 0.840 131 V CB 1.626 33.222 31.823 -0.378 0.000 0.994 131 V HN 0.586 nan 8.190 nan 0.000 0.431 132 R N 3.062 123.558 120.500 -0.008 0.000 2.522 132 R HA 0.407 4.737 4.340 -0.017 0.000 0.284 132 R C -1.185 175.127 176.300 0.019 0.000 1.032 132 R CA 0.091 56.196 56.100 0.008 0.000 1.049 132 R CB 0.814 31.137 30.300 0.038 0.000 0.956 132 R HN 0.560 nan 8.270 nan 0.000 0.422 133 V N 4.660 124.568 119.914 -0.011 0.000 2.483 133 V HA 0.249 4.359 4.120 -0.017 0.000 0.297 133 V C -0.565 175.465 176.094 -0.107 0.000 1.027 133 V CA -0.582 61.702 62.300 -0.026 0.000 0.855 133 V CB 1.704 33.529 31.823 0.004 0.000 0.995 133 V HN 0.789 nan 8.190 nan 0.000 0.424 134 E N 3.191 123.295 120.200 -0.160 0.000 2.279 134 E HA 0.435 4.775 4.350 -0.017 0.000 0.252 134 E C -0.320 176.093 176.600 -0.311 0.000 0.894 134 E CA -0.387 55.865 56.400 -0.247 0.000 0.785 134 E CB 1.591 31.123 29.700 -0.280 0.000 1.237 134 E HN 0.837 nan 8.360 nan 0.000 0.418 135 T N 0.843 115.147 114.554 -0.416 0.000 2.874 135 T HA 0.404 4.744 4.350 -0.017 0.000 0.281 135 T C -0.059 174.412 174.700 -0.382 0.000 0.994 135 T CA -0.502 61.328 62.100 -0.450 0.000 1.015 135 T CB 1.288 69.882 68.868 -0.456 0.000 1.028 135 T HN 0.408 nan 8.240 nan 0.000 0.523 136 H N -0.821 118.153 119.070 -0.159 0.000 2.851 136 H HA 0.377 4.923 4.556 -0.017 0.000 0.372 136 H C -0.978 174.342 175.328 -0.013 0.000 1.158 136 H CA -0.808 55.198 56.048 -0.069 0.000 1.159 136 H CB 1.872 31.606 29.762 -0.046 0.000 1.757 136 H HN 0.683 nan 8.280 nan 0.000 0.546 137 C N 2.829 122.192 119.300 0.105 0.000 2.184 137 C HA 0.186 4.635 4.460 -0.017 0.000 0.328 137 C C 1.272 176.318 174.990 0.093 0.000 1.081 137 C CA -0.226 58.849 59.018 0.095 0.000 1.533 137 C CB -1.334 26.447 27.740 0.068 0.000 1.905 137 C HN 0.798 nan 8.230 nan 0.000 0.439 138 S N -0.423 115.343 115.700 0.109 0.000 2.787 138 S HA 0.022 4.482 4.470 -0.017 0.000 0.255 138 S C 0.968 175.614 174.600 0.077 0.000 1.051 138 S CA 0.039 58.282 58.200 0.072 0.000 1.124 138 S CB -0.428 62.807 63.200 0.059 0.000 1.104 138 S HN 0.774 nan 8.310 nan 0.000 0.623 139 H N 3.634 122.707 119.070 0.005 0.000 2.299 139 H HA 0.123 4.669 4.556 -0.017 0.000 0.302 139 H C 0.829 176.092 175.328 -0.109 0.000 1.078 139 H CA 2.321 58.352 56.048 -0.030 0.000 1.323 139 H CB -0.311 29.438 29.762 -0.022 0.000 1.381 139 H HN 0.527 nan 8.280 nan 0.000 0.498 140 T N -1.482 113.008 114.554 -0.107 0.000 2.934 140 T HA 0.275 4.615 4.350 -0.017 0.000 0.283 140 T C 1.719 176.358 174.700 -0.103 0.000 1.005 140 T CA -0.343 61.653 62.100 -0.174 0.000 1.041 140 T CB 1.529 70.314 68.868 -0.140 0.000 1.042 140 T HN 0.201 nan 8.240 nan 0.000 0.505 141 I N -0.609 119.873 120.570 -0.146 0.000 2.142 141 I HA -0.052 4.108 4.170 -0.017 0.000 0.240 141 I C 0.166 176.059 176.117 -0.373 0.000 1.078 141 I CA 1.186 62.303 61.300 -0.306 0.000 1.343 141 I CB -0.187 37.528 38.000 -0.476 0.000 1.046 141 I HN 0.546 nan 8.210 nan 0.000 0.405 142 Y N 0.569 120.885 120.300 0.026 0.000 2.342 142 Y HA 0.288 4.828 4.550 -0.017 0.000 0.334 142 Y C 0.273 176.206 175.900 0.056 0.000 1.067 142 Y CA -1.483 56.634 58.100 0.030 0.000 1.128 142 Y CB 0.304 38.776 38.460 0.020 0.000 1.200 142 Y HN -0.052 nan 8.280 nan 0.000 0.464 143 N N 4.407 123.228 118.700 0.201 0.000 2.431 143 N HA 0.136 4.866 4.740 -0.017 0.000 0.265 143 N C -2.064 173.547 175.510 0.168 0.000 1.184 143 N CA -1.765 51.375 53.050 0.151 0.000 0.943 143 N CB 0.986 39.534 38.487 0.103 0.000 1.080 143 N HN 0.258 nan 8.380 nan 0.000 0.477 144 P HA -0.172 nan 4.420 nan 0.000 0.216 144 P C 0.673 178.059 177.300 0.143 0.000 1.153 144 P CA 1.360 64.574 63.100 0.190 0.000 0.858 144 P CB 0.243 32.062 31.700 0.199 0.000 0.789 145 E N -0.783 119.488 120.200 0.118 0.000 2.160 145 E HA -0.153 4.187 4.350 -0.017 0.000 0.195 145 E C 1.914 178.559 176.600 0.075 0.000 0.991 145 E CA 0.851 57.306 56.400 0.092 0.000 0.810 145 E CB -0.487 29.259 29.700 0.077 0.000 0.742 145 E HN 0.258 nan 8.360 nan 0.000 0.466 146 L N 0.006 121.273 121.223 0.072 0.000 2.109 146 L HA -0.138 4.192 4.340 -0.017 0.000 0.207 146 L C 2.418 179.310 176.870 0.036 0.000 1.086 146 L CA 0.514 55.384 54.840 0.050 0.000 0.760 146 L CB -0.389 41.700 42.059 0.050 0.000 0.910 146 L HN 0.032 nan 8.230 nan 0.000 0.437 147 V N 0.474 120.418 119.914 0.051 0.000 2.295 147 V HA -0.281 3.829 4.120 -0.017 0.000 0.246 147 V C 2.367 178.496 176.094 0.059 0.000 1.049 147 V CA 1.878 64.193 62.300 0.025 0.000 1.024 147 V CB -0.381 31.490 31.823 0.080 0.000 0.648 147 V HN 0.299 nan 8.190 nan 0.000 0.447 148 I N 0.661 121.290 120.570 0.097 0.000 2.163 148 I HA -0.253 3.907 4.170 -0.017 0.000 0.243 148 I C 2.721 178.880 176.117 0.071 0.000 1.085 148 I CA 1.601 62.962 61.300 0.101 0.000 1.347 148 I CB -0.733 37.334 38.000 0.113 0.000 1.044 148 I HN 0.279 nan 8.210 nan 0.000 0.408 149 A N 0.851 123.705 122.820 0.056 0.000 1.865 149 A HA -0.287 4.023 4.320 -0.017 0.000 0.217 149 A C 2.297 179.896 177.584 0.026 0.000 1.191 149 A CA 2.195 54.255 52.037 0.039 0.000 0.623 149 A CB -0.592 18.428 19.000 0.034 0.000 0.826 149 A HN 0.263 nan 8.150 nan 0.000 0.444 150 K N -0.126 120.281 120.400 0.012 0.000 2.280 150 K HA -0.111 4.199 4.320 -0.017 0.000 0.202 150 K C 0.846 177.443 176.600 -0.005 0.000 1.047 150 K CA 1.287 57.569 56.287 -0.008 0.000 0.942 150 K CB -0.275 32.204 32.500 -0.036 0.000 0.739 150 K HN 0.458 nan 8.250 nan 0.000 0.457 151 N N 0.436 119.145 118.700 0.015 0.000 2.558 151 N HA 0.121 4.851 4.740 -0.017 0.000 0.281 151 N C -1.047 174.490 175.510 0.045 0.000 1.219 151 N CA -0.055 53.014 53.050 0.031 0.000 0.942 151 N CB -0.393 38.128 38.487 0.056 0.000 1.241 151 N HN 0.182 nan 8.380 nan 0.000 0.511 152 L N -0.653 120.590 121.223 0.033 0.000 3.660 152 L HA -0.262 4.068 4.340 -0.017 0.000 0.440 152 L C 0.958 177.855 176.870 0.045 0.000 1.262 152 L CA 0.360 55.221 54.840 0.034 0.000 0.837 152 L CB -2.260 39.818 42.059 0.031 0.000 1.689 152 L HN 0.406 nan 8.230 nan 0.000 0.890 153 G N -0.559 108.272 108.800 0.051 0.000 2.198 153 G HA2 -0.310 3.640 3.960 -0.017 0.000 0.260 153 G HA3 -0.310 3.640 3.960 -0.017 0.000 0.260 153 G C 0.148 175.093 174.900 0.075 0.000 1.025 153 G CA 0.788 45.923 45.100 0.058 0.000 0.769 153 G HN 0.518 nan 8.290 nan 0.000 0.507 154 K N -0.183 120.271 120.400 0.090 0.000 2.565 154 K HA 0.617 4.927 4.320 -0.017 0.000 0.249 154 K C 0.208 176.902 176.600 0.157 0.000 0.958 154 K CA -0.218 56.141 56.287 0.119 0.000 0.806 154 K CB 1.784 34.349 32.500 0.108 0.000 1.194 154 K HN 0.580 nan 8.250 nan 0.000 0.434 155 A N 4.570 127.510 122.820 0.200 0.000 2.492 155 A HA 0.268 4.578 4.320 -0.017 0.000 0.254 155 A C -2.256 175.497 177.584 0.280 0.000 1.091 155 A CA -0.841 51.335 52.037 0.233 0.000 0.768 155 A CB -0.509 18.641 19.000 0.249 0.000 1.028 155 A HN 0.332 nan 8.150 nan 0.000 0.498 156 P HA 0.074 nan 4.420 nan 0.000 0.264 156 P C 0.682 178.252 177.300 0.449 0.000 1.193 156 P CA 0.132 63.437 63.100 0.342 0.000 0.763 156 P CB 0.346 32.280 31.700 0.389 0.000 0.810 157 I N -0.037 120.813 120.570 0.468 0.000 3.860 157 I HA 0.143 4.303 4.170 -0.017 0.000 0.319 157 I C 0.225 176.752 176.117 0.683 0.000 1.279 157 I CA -0.014 61.661 61.300 0.625 0.000 1.220 157 I CB -0.243 38.083 38.000 0.543 0.000 1.027 157 I HN 0.199 nan 8.210 nan 0.000 0.428 158 T N -3.634 111.193 114.554 0.454 0.000 2.924 158 T HA 0.314 4.654 4.350 -0.017 0.000 0.291 158 T C 0.263 174.961 174.700 -0.003 0.000 1.045 158 T CA -0.581 61.671 62.100 0.254 0.000 1.015 158 T CB 1.977 70.974 68.868 0.215 0.000 1.103 158 T HN 0.153 nan 8.240 nan 0.000 0.496 159 Y N 1.013 121.096 120.300 -0.362 0.000 2.220 159 Y HA -0.011 4.529 4.550 -0.017 0.000 0.291 159 Y C 2.652 178.397 175.900 -0.258 0.000 1.129 159 Y CA 1.444 59.152 58.100 -0.653 0.000 1.161 159 Y CB -0.152 37.811 38.460 -0.828 0.000 0.997 159 Y HN 0.555 nan 8.280 nan 0.000 0.522 160 Q N 0.227 119.983 119.800 -0.074 0.000 2.167 160 Q HA -0.174 4.156 4.340 -0.017 0.000 0.202 160 Q C 2.145 178.087 176.000 -0.096 0.000 0.970 160 Q CA 1.369 57.116 55.803 -0.093 0.000 0.855 160 Q CB -0.278 28.470 28.738 0.018 0.000 0.911 160 Q HN 0.277 nan 8.270 nan 0.000 0.438 161 K N 0.521 120.910 120.400 -0.019 0.000 2.057 161 K HA -0.113 4.197 4.320 -0.017 0.000 0.207 161 K C 1.757 178.345 176.600 -0.020 0.000 1.049 161 K CA 0.835 57.127 56.287 0.008 0.000 0.931 161 K CB -0.569 31.983 32.500 0.086 0.000 0.714 161 K HN 0.117 nan 8.250 nan 0.000 0.440 162 F N 0.753 120.606 119.950 -0.161 0.000 2.102 162 F HA -0.128 4.389 4.527 -0.017 0.000 0.298 162 F C 1.580 177.190 175.800 -0.317 0.000 1.105 162 F CA 1.423 59.312 58.000 -0.186 0.000 1.239 162 F CB -0.245 38.679 39.000 -0.126 0.000 0.991 162 F HN -0.026 nan 8.300 nan 0.000 0.474 163 L N -0.057 120.902 121.223 -0.440 0.000 2.042 163 L HA -0.203 4.127 4.340 -0.017 0.000 0.210 163 L C 2.774 179.404 176.870 -0.400 0.000 1.076 163 L CA 1.499 56.038 54.840 -0.501 0.000 0.749 163 L CB -1.531 40.259 42.059 -0.448 0.000 0.893 163 L HN 0.372 nan 8.230 nan 0.000 0.432 164 G N -0.057 108.572 108.800 -0.285 0.000 2.422 164 G HA2 -0.203 3.747 3.960 -0.017 0.000 0.218 164 G HA3 -0.203 3.747 3.960 -0.017 0.000 0.218 164 G C 1.476 176.230 174.900 -0.243 0.000 1.146 164 G CA 0.399 45.373 45.100 -0.210 0.000 0.769 164 G HN 0.165 nan 8.290 nan 0.000 0.547 165 I N 1.546 121.934 120.570 -0.304 0.000 2.233 165 I HA -0.097 4.063 4.170 -0.017 0.000 0.243 165 I C 3.116 178.967 176.117 -0.443 0.000 1.093 165 I CA 1.174 62.288 61.300 -0.310 0.000 1.380 165 I CB -1.258 36.585 38.000 -0.262 0.000 1.067 165 I HN 0.218 nan 8.210 nan 0.000 0.413 166 V N 0.546 120.028 119.914 -0.719 0.000 2.591 166 V HA -0.101 4.009 4.120 -0.017 0.000 0.249 166 V C 2.017 177.716 176.094 -0.658 0.000 1.053 166 V CA 1.346 63.054 62.300 -0.987 0.000 1.068 166 V CB -1.289 29.531 31.823 -1.671 0.000 0.689 166 V HN 0.589 nan 8.190 nan 0.000 0.462 167 E N 2.142 122.093 120.200 -0.414 0.000 2.516 167 E HA -0.186 4.154 4.350 -0.017 0.000 0.199 167 E C 1.643 178.160 176.600 -0.139 0.000 1.069 167 E CA 0.802 57.078 56.400 -0.208 0.000 0.876 167 E CB -0.241 29.361 29.700 -0.164 0.000 0.843 167 E HN 0.910 nan 8.360 nan 0.000 0.530 168 Q N 0.832 120.533 119.800 -0.166 0.000 2.175 168 Q HA 0.304 4.634 4.340 -0.017 0.000 0.225 168 Q C -0.224 175.727 176.000 -0.081 0.000 0.837 168 Q CA -0.277 55.465 55.803 -0.102 0.000 1.032 168 Q CB 0.309 28.989 28.738 -0.096 0.000 1.137 168 Q HN 0.189 nan 8.270 nan 0.000 0.483 169 L N 1.235 122.410 121.223 -0.080 0.000 2.346 169 L HA 0.518 4.848 4.340 -0.017 0.000 0.274 169 L C -0.403 176.524 176.870 0.095 0.000 1.007 169 L CA -1.158 53.679 54.840 -0.004 0.000 0.818 169 L CB 2.132 44.172 42.059 -0.032 0.000 1.284 169 L HN 0.002 nan 8.230 nan 0.000 0.424 170 K N 1.524 121.970 120.400 0.076 0.000 2.350 170 K HA 0.291 4.601 4.320 -0.017 0.000 0.279 170 K C -0.806 175.840 176.600 0.077 0.000 1.027 170 K CA -0.410 55.916 56.287 0.065 0.000 0.969 170 K CB 1.225 33.745 32.500 0.033 0.000 0.954 170 K HN 0.232 nan 8.250 nan 0.000 0.474 171 V N 5.796 125.729 119.914 0.031 0.000 2.385 171 V HA 0.131 4.241 4.120 -0.017 0.000 0.269 171 V C -1.766 174.303 176.094 -0.041 0.000 1.043 171 V CA -1.715 60.551 62.300 -0.057 0.000 0.906 171 V CB 0.431 32.185 31.823 -0.115 0.000 0.995 171 V HN 0.729 nan 8.190 nan 0.000 0.467 172 P HA 0.152 nan 4.420 nan 0.000 0.270 172 P C -0.194 177.096 177.300 -0.017 0.000 1.227 172 P CA -0.389 62.703 63.100 -0.014 0.000 0.788 172 P CB 0.438 32.136 31.700 -0.004 0.000 0.926 173 K N 0.130 120.529 120.400 -0.002 0.000 2.436 173 K HA 0.204 4.514 4.320 -0.017 0.000 0.275 173 K C -0.528 176.072 176.600 -0.001 0.000 0.999 173 K CA -0.370 55.916 56.287 -0.001 0.000 0.980 173 K CB 0.231 32.735 32.500 0.007 0.000 0.919 173 K HN 0.121 nan 8.250 nan 0.000 0.484 174 V N 5.249 125.164 119.914 0.001 0.000 2.406 174 V HA 0.184 4.294 4.120 -0.017 0.000 0.272 174 V C 0.251 176.355 176.094 0.017 0.000 1.043 174 V CA -0.585 61.722 62.300 0.012 0.000 0.915 174 V CB 0.411 32.247 31.823 0.020 0.000 0.988 174 V HN 0.538 nan 8.190 nan 0.000 0.466 175 L N 3.800 125.033 121.223 0.016 0.000 2.416 175 L HA 0.685 5.015 4.340 -0.017 0.000 0.262 175 L C 1.242 178.128 176.870 0.027 0.000 1.093 175 L CA -0.179 54.666 54.840 0.009 0.000 0.801 175 L CB 0.835 42.885 42.059 -0.014 0.000 1.191 175 L HN 0.725 nan 8.230 nan 0.000 0.459 176 G N 0.364 109.172 108.800 0.014 0.000 2.829 176 G HA2 0.422 4.372 3.960 -0.017 0.000 0.173 176 G HA3 0.422 4.372 3.960 -0.017 0.000 0.173 176 G C -0.438 174.469 174.900 0.013 0.000 1.476 176 G CA -0.413 44.701 45.100 0.022 0.000 1.072 176 G HN 0.272 nan 8.290 nan 0.000 0.577 177 V N 2.101 122.012 119.914 -0.004 0.000 2.567 177 V HA 0.303 4.413 4.120 -0.017 0.000 0.289 177 V C -1.591 174.457 176.094 -0.078 0.000 1.049 177 V CA -0.945 61.332 62.300 -0.039 0.000 0.969 177 V CB 1.275 33.083 31.823 -0.025 0.000 0.995 177 V HN 0.475 nan 8.190 nan 0.000 0.471 178 P HA 0.104 nan 4.420 nan 0.000 0.271 178 P C -0.276 176.993 177.300 -0.052 0.000 1.238 178 P CA -0.286 62.697 63.100 -0.194 0.000 0.794 178 P CB 0.386 31.711 31.700 -0.624 0.000 0.959 179 E N 0.116 120.363 120.200 0.079 0.000 2.383 179 E HA 0.052 4.392 4.350 -0.017 0.000 0.264 179 E C 0.050 176.787 176.600 0.227 0.000 1.050 179 E CA -0.353 56.127 56.400 0.134 0.000 0.896 179 E CB 0.357 30.137 29.700 0.133 0.000 0.982 179 E HN 0.233 nan 8.360 nan 0.000 0.424 180 K N 2.864 123.352 120.400 0.147 0.000 2.436 180 K HA 0.032 4.342 4.320 -0.017 0.000 0.282 180 K C -0.457 176.231 176.600 0.146 0.000 1.044 180 K CA -0.133 56.245 56.287 0.152 0.000 1.028 180 K CB 0.207 32.760 32.500 0.088 0.000 0.919 180 K HN 0.414 nan 8.250 nan 0.000 0.474 181 L N 6.096 127.413 121.223 0.157 0.000 2.597 181 L HA -0.014 4.316 4.340 -0.017 0.000 0.271 181 L C 0.372 177.266 176.870 0.040 0.000 1.157 181 L CA 0.417 55.288 54.840 0.052 0.000 0.928 181 L CB 0.051 42.086 42.059 -0.040 0.000 1.216 181 L HN 0.488 nan 8.230 nan 0.000 0.481 182 K N 4.912 125.329 120.400 0.028 0.000 2.297 182 K HA 0.150 4.460 4.320 -0.017 0.000 0.286 182 K C -0.083 176.527 176.600 0.018 0.000 1.053 182 K CA -0.650 55.652 56.287 0.025 0.000 0.940 182 K CB 0.484 32.997 32.500 0.022 0.000 1.019 182 K HN 0.544 nan 8.250 nan 0.000 0.475 183 N N 1.995 120.709 118.700 0.023 0.000 2.608 183 N HA -0.210 4.520 4.740 -0.017 0.000 0.273 183 N C -1.049 174.479 175.510 0.029 0.000 1.133 183 N CA 0.728 53.792 53.050 0.023 0.000 0.726 183 N CB -0.708 37.787 38.487 0.012 0.000 0.890 183 N HN 0.538 nan 8.380 nan 0.000 0.548 184 M N 1.745 121.376 119.600 0.051 0.000 2.031 184 M HA 0.363 4.833 4.480 -0.017 0.000 0.273 184 M C -2.387 173.988 176.300 0.124 0.000 0.904 184 M CA -1.482 53.870 55.300 0.087 0.000 0.963 184 M CB 1.302 33.938 32.600 0.060 0.000 1.707 184 M HN 0.041 nan 8.290 nan 0.000 0.427 185 P HA 0.322 nan 4.420 nan 0.000 0.274 185 P C -0.775 176.613 177.300 0.147 0.000 1.246 185 P CA -0.234 62.960 63.100 0.157 0.000 0.795 185 P CB 0.146 31.958 31.700 0.187 0.000 1.006 186 T N -1.113 113.474 114.554 0.055 0.000 2.902 186 T HA 0.215 4.555 4.350 -0.017 0.000 0.301 186 T C -2.245 172.330 174.700 -0.208 0.000 1.012 186 T CA -1.297 60.801 62.100 -0.003 0.000 1.151 186 T CB -0.886 67.990 68.868 0.013 0.000 0.946 186 T HN 0.221 nan 8.240 nan 0.000 0.542 187 P HA 0.154 nan 4.420 nan 0.000 0.264 187 P C -2.091 174.868 177.300 -0.568 0.000 1.183 187 P CA -0.969 61.594 63.100 -0.896 0.000 0.763 187 P CB -0.448 30.837 31.700 -0.692 0.000 0.807 188 P HA 0.027 nan 4.420 nan 0.000 0.266 188 P C -0.462 176.741 177.300 -0.160 0.000 1.195 188 P CA 0.150 63.090 63.100 -0.266 0.000 0.768 188 P CB 0.542 32.127 31.700 -0.191 0.000 0.838 189 K N 2.623 122.982 120.400 -0.068 0.000 2.436 189 K HA 0.023 4.333 4.320 -0.017 0.000 0.282 189 K C 0.947 177.575 176.600 0.047 0.000 1.044 189 K CA 0.008 56.294 56.287 -0.003 0.000 1.028 189 K CB 0.078 32.579 32.500 0.002 0.000 0.919 189 K HN 0.534 nan 8.250 nan 0.000 0.474 190 D N 2.406 122.889 120.400 0.137 0.000 2.356 190 D HA -0.051 4.579 4.640 -0.017 0.000 0.258 190 D C 0.536 176.905 176.300 0.115 0.000 1.279 190 D CA -0.126 53.996 54.000 0.203 0.000 1.016 190 D CB 0.506 41.573 40.800 0.446 0.000 1.107 190 D HN 0.316 nan 8.370 nan 0.000 0.544 191 E N -0.951 119.306 120.200 0.096 0.000 2.153 191 E HA -0.054 4.286 4.350 -0.017 0.000 0.194 191 E C 1.888 178.501 176.600 0.022 0.000 0.988 191 E CA 0.788 57.215 56.400 0.044 0.000 0.811 191 E CB -0.335 29.382 29.700 0.028 0.000 0.746 191 E HN 0.366 nan 8.360 nan 0.000 0.466 192 V N 0.580 120.513 119.914 0.032 0.000 2.407 192 V HA -0.160 3.950 4.120 -0.017 0.000 0.245 192 V C 1.861 177.888 176.094 -0.111 0.000 1.041 192 V CA 1.589 63.868 62.300 -0.036 0.000 1.040 192 V CB -0.385 31.422 31.823 -0.025 0.000 0.671 192 V HN 0.198 nan 8.190 nan 0.000 0.455 193 E N -0.113 120.030 120.200 -0.095 0.000 2.208 193 E HA -0.201 4.139 4.350 -0.017 0.000 0.193 193 E C 2.324 178.894 176.600 -0.050 0.000 0.988 193 E CA 0.783 57.117 56.400 -0.110 0.000 0.828 193 E CB -0.080 29.601 29.700 -0.033 0.000 0.763 193 E HN 0.650 nan 8.360 nan 0.000 0.478 194 Q N 0.513 120.301 119.800 -0.020 0.000 2.084 194 Q HA -0.156 4.174 4.340 -0.017 0.000 0.202 194 Q C 1.778 177.765 176.000 -0.021 0.000 0.978 194 Q CA 1.257 57.053 55.803 -0.012 0.000 0.844 194 Q CB 0.058 28.797 28.738 0.001 0.000 0.898 194 Q HN 0.060 nan 8.270 nan 0.000 0.426 195 K N -0.213 120.170 120.400 -0.029 0.000 2.305 195 K HA -0.031 4.279 4.320 -0.017 0.000 0.199 195 K C -0.278 176.299 176.600 -0.038 0.000 1.047 195 K CA 0.642 56.911 56.287 -0.029 0.000 0.976 195 K CB 0.487 32.971 32.500 -0.026 0.000 0.765 195 K HN 0.004 nan 8.250 nan 0.000 0.474 196 D N -1.185 119.180 120.400 -0.059 0.000 2.613 196 D HA 0.033 4.663 4.640 -0.017 0.000 0.230 196 D C 0.437 176.687 176.300 -0.083 0.000 1.365 196 D CA -0.304 53.659 54.000 -0.063 0.000 0.976 196 D CB 1.267 42.029 40.800 -0.064 0.000 1.415 196 D HN -0.051 nan 8.370 nan 0.000 0.589 197 S N 2.348 118.015 115.700 -0.054 0.000 2.419 197 S HA -0.099 4.361 4.470 -0.017 0.000 0.233 197 S C 1.622 176.196 174.600 -0.045 0.000 1.016 197 S CA 0.764 58.938 58.200 -0.044 0.000 0.974 197 S CB -0.057 63.131 63.200 -0.019 0.000 0.786 197 S HN 0.482 nan 8.310 nan 0.000 0.492 198 A N 0.437 123.230 122.820 -0.045 0.000 2.476 198 A HA 0.805 5.115 4.320 -0.017 0.000 0.263 198 A C 1.857 179.415 177.584 -0.042 0.000 1.342 198 A CA 0.353 52.375 52.037 -0.026 0.000 0.926 198 A CB -0.808 18.183 19.000 -0.015 0.000 1.019 198 A HN 0.667 nan 8.150 nan 0.000 0.515 199 A N -0.866 121.870 122.820 -0.140 0.000 2.015 199 A HA 0.006 4.316 4.320 -0.017 0.000 0.219 199 A C 1.301 178.827 177.584 -0.096 0.000 1.163 199 A CA 1.167 53.068 52.037 -0.226 0.000 0.646 199 A CB -0.415 18.293 19.000 -0.487 0.000 0.806 199 A HN 0.553 nan 8.150 nan 0.000 0.448 200 Y N 0.565 120.951 120.300 0.144 0.000 2.584 200 Y HA 0.237 4.777 4.550 -0.017 0.000 0.254 200 Y C -0.282 175.693 175.900 0.125 0.000 1.177 200 Y CA -1.892 56.325 58.100 0.196 0.000 1.216 200 Y CB -0.478 38.203 38.460 0.368 0.000 1.172 200 Y HN 0.164 nan 8.280 nan 0.000 0.529 201 D N -0.556 119.950 120.400 0.178 0.000 2.361 201 D HA 0.016 4.646 4.640 -0.017 0.000 0.239 201 D C 0.093 176.438 176.300 0.075 0.000 1.200 201 D CA -0.093 53.957 54.000 0.083 0.000 0.915 201 D CB 0.759 41.581 40.800 0.037 0.000 1.170 201 D HN 0.014 nan 8.370 nan 0.000 0.444 202 C N 3.021 122.334 119.300 0.022 0.000 2.633 202 C HA 0.122 4.572 4.460 -0.017 0.000 0.415 202 C C -1.750 173.246 174.990 0.010 0.000 1.393 202 C CA -1.078 57.941 59.018 0.002 0.000 1.700 202 C CB -0.781 26.934 27.740 -0.041 0.000 2.541 202 C HN 0.397 nan 8.230 nan 0.000 0.603 203 P HA 0.106 nan 4.420 nan 0.000 0.263 203 P C 0.217 177.512 177.300 -0.010 0.000 1.195 203 P CA 0.386 63.494 63.100 0.012 0.000 0.762 203 P CB 0.253 31.966 31.700 0.022 0.000 0.799 204 T N 0.388 114.935 114.554 -0.013 0.000 2.766 204 T HA 0.137 4.477 4.350 -0.017 0.000 0.295 204 T C 1.779 176.467 174.700 -0.019 0.000 1.024 204 T CA -0.790 61.299 62.100 -0.019 0.000 1.018 204 T CB 0.311 69.168 68.868 -0.017 0.000 1.002 204 T HN 0.146 nan 8.240 nan 0.000 0.532 205 M N 0.714 120.304 119.600 -0.016 0.000 2.113 205 M HA -0.164 4.306 4.480 -0.017 0.000 0.255 205 M C 2.239 178.529 176.300 -0.017 0.000 1.073 205 M CA 2.009 57.304 55.300 -0.008 0.000 1.091 205 M CB -1.328 31.270 32.600 -0.004 0.000 1.309 205 M HN 0.756 nan 8.290 nan 0.000 0.407 206 K N -0.270 120.118 120.400 -0.020 0.000 2.127 206 K HA -0.232 4.078 4.320 -0.017 0.000 0.208 206 K C 2.047 178.620 176.600 -0.045 0.000 1.047 206 K CA 1.627 57.898 56.287 -0.027 0.000 0.927 206 K CB -0.143 32.344 32.500 -0.021 0.000 0.716 206 K HN 0.563 nan 8.250 nan 0.000 0.450 207 Q N 0.110 119.882 119.800 -0.046 0.000 2.062 207 Q HA -0.033 4.297 4.340 -0.017 0.000 0.196 207 Q C 2.266 178.193 176.000 -0.121 0.000 0.967 207 Q CA 0.876 56.641 55.803 -0.063 0.000 0.832 207 Q CB 0.049 28.765 28.738 -0.036 0.000 0.899 207 Q HN 0.288 nan 8.270 nan 0.000 0.442 208 L N 0.430 121.584 121.223 -0.115 0.000 2.095 208 L HA 0.001 4.331 4.340 -0.017 0.000 0.204 208 L C 0.617 177.294 176.870 -0.322 0.000 1.080 208 L CA 0.465 55.175 54.840 -0.217 0.000 0.759 208 L CB 0.346 42.387 42.059 -0.030 0.000 0.914 208 L HN 0.018 nan 8.230 nan 0.000 0.439 209 V N 1.050 120.888 119.914 -0.128 0.000 2.304 209 V HA 0.113 4.223 4.120 -0.017 0.000 0.262 209 V C 0.888 176.934 176.094 -0.080 0.000 1.061 209 V CA -0.298 61.961 62.300 -0.069 0.000 0.872 209 V CB 0.798 32.647 31.823 0.043 0.000 1.077 209 V HN 0.190 nan 8.190 nan 0.000 0.480 210 K N 3.212 123.536 120.400 -0.126 0.000 2.400 210 K HA 0.205 4.515 4.320 -0.017 0.000 0.194 210 K C 0.718 177.309 176.600 -0.014 0.000 1.033 210 K CA 0.394 56.636 56.287 -0.075 0.000 1.021 210 K CB 0.330 32.771 32.500 -0.099 0.000 0.808 210 K HN 0.469 nan 8.250 nan 0.000 0.505 211 R N 1.110 121.621 120.500 0.018 0.000 2.629 211 R HA 0.142 4.472 4.340 -0.017 0.000 0.277 211 R C -2.079 174.256 176.300 0.058 0.000 1.637 211 R CA -1.056 55.072 56.100 0.046 0.000 1.663 211 R CB 1.042 31.384 30.300 0.069 0.000 1.228 211 R HN -0.102 nan 8.270 nan 0.000 0.632 212 P HA -0.150 nan 4.420 nan 0.000 0.234 212 P C 0.694 178.020 177.300 0.043 0.000 1.167 212 P CA 0.906 64.033 63.100 0.045 0.000 0.763 212 P CB 0.416 32.133 31.700 0.028 0.000 0.835 213 E N 0.858 121.083 120.200 0.042 0.000 2.358 213 E HA -0.139 4.201 4.350 -0.017 0.000 0.195 213 E C 1.252 177.880 176.600 0.047 0.000 1.010 213 E CA 0.782 57.205 56.400 0.038 0.000 0.856 213 E CB -0.618 29.103 29.700 0.034 0.000 0.795 213 E HN 0.362 nan 8.360 nan 0.000 0.504 214 E N 0.659 120.895 120.200 0.059 0.000 2.435 214 E HA 0.113 4.453 4.350 -0.017 0.000 0.195 214 E C 0.333 176.970 176.600 0.062 0.000 1.029 214 E CA -0.128 56.311 56.400 0.064 0.000 0.865 214 E CB 0.144 29.893 29.700 0.080 0.000 0.833 214 E HN 0.235 nan 8.360 nan 0.000 0.510 215 L N 1.578 122.839 121.223 0.063 0.000 2.418 215 L HA 0.115 4.445 4.340 -0.017 0.000 0.274 215 L C 0.917 177.814 176.870 0.046 0.000 1.135 215 L CA -0.507 54.370 54.840 0.062 0.000 0.870 215 L CB 0.681 42.776 42.059 0.060 0.000 1.154 215 L HN 0.035 nan 8.230 nan 0.000 0.462 216 G N 4.370 113.199 108.800 0.048 0.000 2.543 216 G HA2 0.484 4.434 3.960 -0.017 0.000 0.267 216 G HA3 0.484 4.434 3.960 -0.017 0.000 0.267 216 G C -2.492 172.422 174.900 0.024 0.000 1.406 216 G CA -0.852 44.270 45.100 0.038 0.000 1.048 216 G HN 0.432 nan 8.290 nan 0.000 0.548 217 P HA 0.047 nan 4.420 nan 0.000 0.271 217 P C -0.538 176.738 177.300 -0.039 0.000 1.216 217 P CA -0.147 62.940 63.100 -0.022 0.000 0.771 217 P CB 0.718 32.395 31.700 -0.037 0.000 0.864 218 N N 2.598 121.270 118.700 -0.046 0.000 3.178 218 N HA 0.000 4.730 4.740 -0.017 0.000 0.300 218 N C 0.909 176.343 175.510 -0.127 0.000 1.242 218 N CA -0.257 52.766 53.050 -0.044 0.000 1.192 218 N CB 0.024 38.498 38.487 -0.021 0.000 1.463 218 N HN 0.270 nan 8.380 nan 0.000 0.539 219 K N 0.365 120.598 120.400 -0.279 0.000 2.217 219 K HA -0.045 4.265 4.320 -0.017 0.000 0.202 219 K C -0.390 175.765 176.600 -0.742 0.000 1.051 219 K CA 0.920 56.832 56.287 -0.626 0.000 0.952 219 K CB 0.221 32.126 32.500 -0.992 0.000 0.736 219 K HN 0.287 nan 8.250 nan 0.000 0.453 220 F N 1.181 121.190 119.950 0.098 0.000 2.564 220 F HA 0.317 4.836 4.527 -0.014 0.000 0.368 220 F C -2.547 173.376 175.800 0.205 0.000 1.127 220 F CA -3.303 54.801 58.000 0.172 0.000 1.170 220 F CB 0.826 39.919 39.000 0.154 0.000 1.397 220 F HN -0.253 nan 8.300 nan 0.000 0.493 221 P HA 0.161 nan 4.420 nan 0.000 0.268 221 P C 0.587 177.794 177.300 -0.155 0.000 1.205 221 P CA 0.045 63.157 63.100 0.019 0.000 0.771 221 P CB 0.864 32.564 31.700 -0.000 0.000 0.858 222 G N 1.217 109.584 108.800 -0.721 0.000 2.562 222 G HA2 0.555 4.505 3.960 -0.017 0.000 0.275 222 G HA3 0.555 4.505 3.960 -0.017 0.000 0.275 222 G C -0.019 174.575 174.900 -0.510 0.000 1.196 222 G CA -0.016 44.230 45.100 -1.424 0.000 0.908 222 G HN 0.823 nan 8.290 nan 0.000 0.524 223 G N -1.073 107.524 108.800 -0.339 0.000 2.539 223 G HA2 -0.094 3.856 3.960 -0.017 0.000 0.686 223 G HA3 -0.094 3.856 3.960 -0.017 0.000 0.686 223 G C 0.437 175.355 174.900 0.030 0.000 1.258 223 G CA 0.411 45.434 45.100 -0.129 0.000 0.846 223 G HN 0.788 nan 8.290 nan 0.000 0.647 224 E N -0.610 119.601 120.200 0.017 0.000 2.077 224 E HA -0.137 4.203 4.350 -0.017 0.000 0.193 224 E C 2.436 179.026 176.600 -0.017 0.000 0.989 224 E CA 2.057 58.494 56.400 0.062 0.000 0.800 224 E CB -0.137 29.614 29.700 0.085 0.000 0.746 224 E HN 0.594 nan 8.360 nan 0.000 0.452 225 T N 0.597 115.121 114.554 -0.050 0.000 2.708 225 T HA -0.204 4.136 4.350 -0.017 0.000 0.266 225 T C 1.748 176.375 174.700 -0.120 0.000 1.037 225 T CA 1.649 63.700 62.100 -0.081 0.000 1.146 225 T CB -0.272 68.552 68.868 -0.073 0.000 0.865 225 T HN 0.219 nan 8.240 nan 0.000 0.435 226 E N 1.449 121.576 120.200 -0.123 0.000 2.152 226 E HA 0.079 4.419 4.350 -0.017 0.000 0.192 226 E C 2.186 178.536 176.600 -0.416 0.000 0.983 226 E CA 1.047 57.341 56.400 -0.178 0.000 0.818 226 E CB -0.538 29.126 29.700 -0.059 0.000 0.758 226 E HN 0.420 nan 8.360 nan 0.000 0.467 227 A N 0.678 123.215 122.820 -0.472 0.000 1.883 227 A HA -0.156 4.154 4.320 -0.017 0.000 0.217 227 A C 2.267 179.604 177.584 -0.412 0.000 1.186 227 A CA 1.615 53.258 52.037 -0.656 0.000 0.624 227 A CB -0.820 18.064 19.000 -0.194 0.000 0.822 227 A HN 0.351 nan 8.150 nan 0.000 0.444 228 L N -1.213 119.849 121.223 -0.268 0.000 2.056 228 L HA -0.146 4.184 4.340 -0.017 0.000 0.207 228 L C 2.815 179.557 176.870 -0.213 0.000 1.078 228 L CA 1.528 56.223 54.840 -0.241 0.000 0.749 228 L CB -0.505 41.420 42.059 -0.223 0.000 0.901 228 L HN 0.437 nan 8.230 nan 0.000 0.433 229 R N 0.661 121.041 120.500 -0.201 0.000 2.073 229 R HA -0.210 4.120 4.340 -0.017 0.000 0.234 229 R C 2.451 178.644 176.300 -0.178 0.000 1.134 229 R CA 1.809 57.810 56.100 -0.164 0.000 0.952 229 R CB -0.172 30.045 30.300 -0.139 0.000 0.850 229 R HN 0.240 nan 8.270 nan 0.000 0.433 230 R N 0.035 120.385 120.500 -0.250 0.000 2.092 230 R HA -0.073 4.257 4.340 -0.017 0.000 0.231 230 R C 2.420 178.585 176.300 -0.226 0.000 1.119 230 R CA 1.390 57.346 56.100 -0.240 0.000 0.970 230 R CB -0.176 29.925 30.300 -0.330 0.000 0.864 230 R HN 0.260 nan 8.270 nan 0.000 0.440 231 M N 0.586 120.025 119.600 -0.269 0.000 2.059 231 M HA -0.172 4.298 4.480 -0.017 0.000 0.259 231 M C 1.569 177.803 176.300 -0.110 0.000 1.072 231 M CA 1.750 56.907 55.300 -0.239 0.000 1.117 231 M CB -0.068 32.361 32.600 -0.286 0.000 1.320 231 M HN 0.087 nan 8.290 nan 0.000 0.408 232 E N 0.309 120.446 120.200 -0.104 0.000 2.097 232 E HA -0.279 4.061 4.350 -0.017 0.000 0.196 232 E C 1.716 178.285 176.600 -0.052 0.000 1.000 232 E CA 1.722 58.085 56.400 -0.060 0.000 0.804 232 E CB -0.608 29.049 29.700 -0.072 0.000 0.740 232 E HN 0.572 nan 8.360 nan 0.000 0.454 233 E N 1.032 121.183 120.200 -0.081 0.000 2.070 233 E HA -0.151 4.189 4.350 -0.017 0.000 0.197 233 E C 2.052 178.601 176.600 -0.084 0.000 1.004 233 E CA 1.891 58.240 56.400 -0.085 0.000 0.805 233 E CB -0.195 29.443 29.700 -0.104 0.000 0.744 233 E HN 0.061 nan 8.360 nan 0.000 0.451 234 S N -0.162 115.495 115.700 -0.072 0.000 2.371 234 S HA -0.026 4.434 4.470 -0.017 0.000 0.224 234 S C 1.830 176.483 174.600 0.088 0.000 1.029 234 S CA 1.059 59.235 58.200 -0.040 0.000 0.978 234 S CB -0.232 62.991 63.200 0.037 0.000 0.833 234 S HN 0.282 nan 8.310 nan 0.000 0.466 235 L N 1.468 122.753 121.223 0.104 0.000 2.622 235 L HA 0.064 4.393 4.340 -0.017 0.000 0.233 235 L C 2.292 179.216 176.870 0.089 0.000 1.156 235 L CA 0.548 55.468 54.840 0.134 0.000 0.866 235 L CB -0.371 41.758 42.059 0.118 0.000 0.980 235 L HN 0.268 nan 8.230 nan 0.000 0.448 236 K N 0.579 121.007 120.400 0.046 0.000 2.026 236 K HA -0.187 4.123 4.320 -0.017 0.000 0.208 236 K C 0.816 177.448 176.600 0.053 0.000 1.048 236 K CA 1.235 57.538 56.287 0.027 0.000 0.929 236 K CB 0.086 32.580 32.500 -0.010 0.000 0.713 236 K HN 0.073 nan 8.250 nan 0.000 0.439 237 D N 1.623 122.068 120.400 0.075 0.000 2.508 237 D HA 0.000 4.630 4.640 -0.017 0.000 0.224 237 D C 0.161 176.590 176.300 0.215 0.000 1.171 237 D CA 0.206 54.283 54.000 0.129 0.000 1.006 237 D CB 0.505 41.376 40.800 0.119 0.000 1.073 237 D HN 0.190 nan 8.370 nan 0.000 0.513 238 E N 2.201 122.490 120.200 0.147 0.000 2.265 238 E HA -0.138 4.202 4.350 -0.017 0.000 0.196 238 E C 1.721 178.409 176.600 0.146 0.000 0.996 238 E CA 0.486 56.967 56.400 0.135 0.000 0.832 238 E CB 0.436 30.184 29.700 0.080 0.000 0.756 238 E HN 0.570 nan 8.360 nan 0.000 0.491 239 I N -0.199 120.467 120.570 0.160 0.000 2.163 239 I HA -0.222 3.938 4.170 -0.017 0.000 0.240 239 I C 2.294 178.532 176.117 0.201 0.000 1.081 239 I CA 1.064 62.456 61.300 0.153 0.000 1.353 239 I CB -1.401 36.681 38.000 0.137 0.000 1.054 239 I HN 0.298 nan 8.210 nan 0.000 0.407 240 W N 2.141 123.494 121.300 0.087 0.000 2.335 240 W HA -0.196 4.456 4.660 -0.013 0.000 0.311 240 W C 2.516 179.139 176.519 0.173 0.000 1.213 240 W CA 1.900 59.320 57.345 0.124 0.000 1.274 240 W CB -0.426 29.105 29.460 0.118 0.000 1.148 240 W HN -0.165 nan 8.180 nan 0.000 0.498 241 V N 1.453 121.564 119.914 0.328 0.000 2.255 241 V HA -0.356 3.753 4.120 -0.017 0.000 0.247 241 V C 2.529 178.612 176.094 -0.018 0.000 1.051 241 V CA 2.480 64.841 62.300 0.102 0.000 1.018 241 V CB -1.803 30.135 31.823 0.191 0.000 0.641 241 V HN 0.369 nan 8.190 nan 0.000 0.445 242 A N -0.185 122.663 122.820 0.046 0.000 1.902 242 A HA -0.193 4.117 4.320 -0.017 0.000 0.217 242 A C 2.271 179.892 177.584 0.062 0.000 1.181 242 A CA 1.743 53.815 52.037 0.059 0.000 0.623 242 A CB -0.388 18.666 19.000 0.090 0.000 0.818 242 A HN 0.563 nan 8.150 nan 0.000 0.443 243 R N -2.162 118.347 120.500 0.015 0.000 2.334 243 R HA 0.203 4.533 4.340 -0.017 0.000 0.216 243 R C -0.201 176.052 176.300 -0.079 0.000 0.905 243 R CA -0.488 55.605 56.100 -0.011 0.000 1.064 243 R CB -0.165 30.131 30.300 -0.007 0.000 1.046 243 R HN 0.475 nan 8.270 nan 0.000 0.508 244 F N 3.073 122.824 119.950 -0.331 0.000 2.579 244 F HA -0.160 4.356 4.527 -0.018 0.000 0.397 244 F C -0.074 175.600 175.800 -0.210 0.000 1.027 244 F CA 0.842 58.583 58.000 -0.433 0.000 1.217 244 F CB 0.360 39.008 39.000 -0.587 0.000 0.986 244 F HN -0.024 nan 8.300 nan 0.000 0.551 245 E N 5.282 125.098 120.200 -0.641 0.000 2.244 245 E HA 0.116 4.456 4.350 -0.017 0.000 0.260 245 E C 0.318 176.559 176.600 -0.599 0.000 0.884 245 E CA -0.824 55.337 56.400 -0.399 0.000 0.777 245 E CB 1.871 31.451 29.700 -0.201 0.000 1.197 245 E HN 0.496 nan 8.360 nan 0.000 0.416 246 K N 3.421 123.588 120.400 -0.388 0.000 2.059 246 K HA -0.147 4.163 4.320 -0.017 0.000 0.212 246 K C -1.044 175.479 176.600 -0.128 0.000 1.050 246 K CA 1.970 58.110 56.287 -0.246 0.000 0.927 246 K CB -0.808 31.666 32.500 -0.043 0.000 0.714 246 K HN 0.297 nan 8.250 nan 0.000 0.447 247 P HA -0.038 nan 4.420 nan 0.000 0.222 247 P C 0.149 177.432 177.300 -0.029 0.000 1.147 247 P CA 1.054 64.155 63.100 0.002 0.000 0.790 247 P CB -0.008 31.697 31.700 0.008 0.000 0.780 248 N N -1.157 117.477 118.700 -0.111 0.000 2.494 248 N HA -0.035 4.695 4.740 -0.017 0.000 0.182 248 N C 0.429 175.881 175.510 -0.097 0.000 1.076 248 N CA 0.724 53.708 53.050 -0.110 0.000 0.908 248 N CB -0.934 37.470 38.487 -0.139 0.000 0.967 248 N HN 0.264 nan 8.380 nan 0.000 0.449 249 T N -1.076 113.424 114.554 -0.089 0.000 2.851 249 T HA 0.562 4.902 4.350 -0.017 0.000 0.298 249 T C 0.337 174.984 174.700 -0.088 0.000 0.977 249 T CA -0.979 61.126 62.100 0.008 0.000 1.126 249 T CB 1.460 70.448 68.868 0.201 0.000 0.916 249 T HN 0.163 nan 8.240 nan 0.000 0.529 250 A N 5.570 128.293 122.820 -0.161 0.000 2.450 250 A HA 0.489 4.799 4.320 -0.017 0.000 0.255 250 A C -0.833 176.372 177.584 -0.633 0.000 1.096 250 A CA -1.609 50.259 52.037 -0.283 0.000 0.778 250 A CB 0.142 19.051 19.000 -0.152 0.000 1.031 250 A HN 0.753 nan 8.150 nan 0.000 0.494 251 P HA -0.065 nan 4.420 nan 0.000 0.224 251 P C 0.219 177.281 177.300 -0.396 0.000 1.157 251 P CA 1.090 63.886 63.100 -0.508 0.000 0.799 251 P CB 0.064 31.706 31.700 -0.096 0.000 0.809 252 N N -1.087 117.394 118.700 -0.364 0.000 2.282 252 N HA 0.029 4.759 4.740 -0.017 0.000 0.240 252 N C -0.102 175.331 175.510 -0.128 0.000 1.182 252 N CA -0.418 52.302 53.050 -0.550 0.000 0.874 252 N CB -0.680 37.574 38.487 -0.389 0.000 1.126 252 N HN -0.052 nan 8.380 nan 0.000 0.516 253 S N -0.268 115.416 115.700 -0.027 0.000 2.562 253 S HA 0.223 4.683 4.470 -0.017 0.000 0.281 253 S C 1.280 176.029 174.600 0.247 0.000 1.333 253 S CA -0.750 57.516 58.200 0.111 0.000 1.052 253 S CB 0.850 64.100 63.200 0.083 0.000 0.884 253 S HN 0.223 nan 8.310 nan 0.000 0.506 254 L N 0.443 121.820 121.223 0.256 0.000 2.017 254 L HA 0.017 4.347 4.340 -0.017 0.000 0.208 254 L C 1.097 178.118 176.870 0.251 0.000 1.073 254 L CA 1.128 56.141 54.840 0.287 0.000 0.745 254 L CB -0.339 41.818 42.059 0.165 0.000 0.894 254 L HN 0.648 nan 8.230 nan 0.000 0.432 255 E N -0.201 120.104 120.200 0.174 0.000 2.231 255 E HA 0.287 4.627 4.350 -0.017 0.000 0.277 255 E C -2.164 174.550 176.600 0.190 0.000 0.999 255 E CA -2.563 53.931 56.400 0.155 0.000 0.827 255 E CB 0.655 30.401 29.700 0.076 0.000 1.101 255 E HN -0.097 nan 8.360 nan 0.000 0.393 256 P HA -0.053 nan 4.420 nan 0.000 0.262 256 P C 0.633 178.077 177.300 0.240 0.000 1.182 256 P CA 0.437 63.686 63.100 0.248 0.000 0.761 256 P CB 0.475 32.174 31.700 -0.001 0.000 0.795 257 S N 0.812 116.727 115.700 0.358 0.000 2.496 257 S HA -0.001 4.459 4.470 -0.017 0.000 0.224 257 S C 0.893 175.840 174.600 0.578 0.000 0.996 257 S CA 0.611 59.031 58.200 0.365 0.000 0.927 257 S CB -0.771 62.584 63.200 0.258 0.000 0.774 257 S HN 0.585 nan 8.310 nan 0.000 0.524 258 T N -0.961 113.957 114.554 0.607 0.000 2.870 258 T HA 0.480 4.820 4.350 -0.017 0.000 0.277 258 T C 1.442 176.369 174.700 0.378 0.000 1.000 258 T CA 0.039 62.546 62.100 0.680 0.000 0.982 258 T CB 0.811 70.057 68.868 0.630 0.000 1.249 258 T HN 0.199 nan 8.240 nan 0.000 0.589 259 T N -1.458 113.298 114.554 0.337 0.000 2.821 259 T HA -0.059 4.281 4.350 -0.017 0.000 0.267 259 T C 1.208 175.862 174.700 -0.076 0.000 1.046 259 T CA 0.974 63.151 62.100 0.128 0.000 1.139 259 T CB -1.132 67.817 68.868 0.134 0.000 0.871 259 T HN 1.374 nan 8.240 nan 0.000 0.454 260 V N 0.780 120.603 119.914 -0.153 0.000 6.110 260 V HA -0.150 3.960 4.120 -0.017 0.000 0.322 260 V C 0.862 176.825 176.094 -0.219 0.000 0.518 260 V CA 0.909 62.918 62.300 -0.486 0.000 0.655 260 V CB -2.619 28.563 31.823 -1.068 0.000 0.283 260 V HN 0.635 nan 8.190 nan 0.000 0.990 261 L N 0.304 121.493 121.223 -0.057 0.000 2.693 261 L HA 0.106 4.436 4.340 -0.017 0.000 0.235 261 L C 2.173 179.116 176.870 0.121 0.000 1.127 261 L CA 0.859 55.746 54.840 0.079 0.000 0.914 261 L CB 0.649 42.587 42.059 -0.202 0.000 1.193 261 L HN 0.702 nan 8.230 nan 0.000 0.502 262 S N 0.269 115.997 115.700 0.048 0.000 2.382 262 S HA -0.041 4.419 4.470 -0.017 0.000 0.228 262 S C -0.635 173.940 174.600 -0.042 0.000 1.027 262 S CA 0.771 59.003 58.200 0.053 0.000 0.991 262 S CB -1.370 61.901 63.200 0.119 0.000 0.823 262 S HN 0.216 nan 8.310 nan 0.000 0.469 263 P HA 0.024 nan 4.420 nan 0.000 0.219 263 P C 0.726 177.879 177.300 -0.245 0.000 1.150 263 P CA 0.943 63.767 63.100 -0.459 0.000 0.814 263 P CB -0.229 30.899 31.700 -0.952 0.000 0.787 264 Y N -0.859 119.511 120.300 0.118 0.000 2.263 264 Y HA -0.012 4.528 4.550 -0.018 0.000 0.292 264 Y C 2.277 178.275 175.900 0.163 0.000 1.130 264 Y CA 0.723 58.962 58.100 0.232 0.000 1.179 264 Y CB -1.306 37.237 38.460 0.138 0.000 0.998 264 Y HN -0.169 nan 8.280 nan 0.000 0.532 265 L N 0.105 121.456 121.223 0.213 0.000 2.156 265 L HA -0.147 4.183 4.340 -0.017 0.000 0.208 265 L C 2.633 179.570 176.870 0.112 0.000 1.095 265 L CA 1.050 55.963 54.840 0.121 0.000 0.770 265 L CB -0.395 41.712 42.059 0.081 0.000 0.914 265 L HN 0.132 nan 8.230 nan 0.000 0.439 266 K N 0.909 121.370 120.400 0.101 0.000 2.001 266 K HA -0.180 4.130 4.320 -0.017 0.000 0.208 266 K C 2.008 178.671 176.600 0.106 0.000 1.048 266 K CA 1.839 58.165 56.287 0.065 0.000 0.932 266 K CB -0.311 32.104 32.500 -0.141 0.000 0.715 266 K HN 0.197 nan 8.250 nan 0.000 0.437 267 F N 0.227 120.281 119.950 0.173 0.000 2.558 267 F HA 0.094 4.611 4.527 -0.017 0.000 0.298 267 F C 1.328 177.282 175.800 0.256 0.000 1.119 267 F CA 0.856 58.984 58.000 0.214 0.000 1.451 267 F CB 0.273 39.414 39.000 0.235 0.000 1.091 267 F HN 0.445 nan 8.300 nan 0.000 0.563 268 G N -0.562 108.483 108.800 0.408 0.000 2.171 268 G HA2 -0.277 3.673 3.960 -0.017 0.000 0.238 268 G HA3 -0.277 3.673 3.960 -0.017 0.000 0.238 268 G C 0.614 175.671 174.900 0.263 0.000 1.039 268 G CA 0.149 45.436 45.100 0.312 0.000 0.759 268 G HN 0.419 nan 8.290 nan 0.000 0.501 269 C N -1.025 118.465 119.300 0.317 0.000 2.514 269 C HA 0.498 4.948 4.460 -0.017 0.000 0.271 269 C C 0.991 176.155 174.990 0.291 0.000 1.399 269 C CA 0.527 59.715 59.018 0.284 0.000 1.765 269 C CB -0.772 27.194 27.740 0.377 0.000 1.893 269 C HN 0.632 nan 8.230 nan 0.000 0.531 270 L N 0.506 121.886 121.223 0.262 0.000 2.356 270 L HA 0.464 4.794 4.340 -0.017 0.000 0.277 270 L C 0.012 176.993 176.870 0.186 0.000 0.996 270 L CA 0.070 55.055 54.840 0.241 0.000 0.822 270 L CB 1.406 43.520 42.059 0.091 0.000 1.256 270 L HN -0.055 nan 8.230 nan 0.000 0.413 271 S N 3.593 119.462 115.700 0.282 0.000 2.465 271 S HA 0.393 4.853 4.470 -0.017 0.000 0.280 271 S C 1.399 176.081 174.600 0.137 0.000 1.232 271 S CA 0.091 58.371 58.200 0.133 0.000 1.066 271 S CB 0.814 64.091 63.200 0.128 0.000 0.929 271 S HN 0.885 nan 8.310 nan 0.000 0.494 272 A N 6.176 129.031 122.820 0.059 0.000 2.019 272 A HA -0.097 4.213 4.320 -0.017 0.000 0.219 272 A C 2.179 179.796 177.584 0.056 0.000 1.164 272 A CA 1.350 53.433 52.037 0.077 0.000 0.644 272 A CB -0.329 18.652 19.000 -0.030 0.000 0.805 272 A HN 0.927 nan 8.150 nan 0.000 0.449 273 R N -1.177 119.330 120.500 0.012 0.000 2.075 273 R HA -0.051 4.279 4.340 -0.017 0.000 0.232 273 R C 2.080 178.397 176.300 0.027 0.000 1.126 273 R CA 1.374 57.462 56.100 -0.020 0.000 0.963 273 R CB -0.512 29.769 30.300 -0.032 0.000 0.858 273 R HN 0.478 nan 8.270 nan 0.000 0.435 274 L N -0.051 121.228 121.223 0.093 0.000 2.056 274 L HA -0.083 4.247 4.340 -0.017 0.000 0.207 274 L C 1.951 178.912 176.870 0.153 0.000 1.078 274 L CA 1.541 56.448 54.840 0.111 0.000 0.749 274 L CB -0.506 41.644 42.059 0.152 0.000 0.901 274 L HN 0.046 nan 8.230 nan 0.000 0.433 275 F N 0.658 120.606 119.950 -0.004 0.000 2.134 275 F HA -0.250 4.268 4.527 -0.016 0.000 0.299 275 F C 2.465 178.248 175.800 -0.028 0.000 1.097 275 F CA 1.850 59.839 58.000 -0.017 0.000 1.264 275 F CB -0.941 38.054 39.000 -0.009 0.000 1.001 275 F HN 0.389 nan 8.300 nan 0.000 0.479 276 N N 0.019 118.678 118.700 -0.068 0.000 2.043 276 N HA -0.283 4.447 4.740 -0.017 0.000 0.193 276 N C 2.063 177.501 175.510 -0.119 0.000 1.037 276 N CA 1.585 54.535 53.050 -0.166 0.000 0.851 276 N CB -0.340 38.076 38.487 -0.119 0.000 1.027 276 N HN 0.498 nan 8.380 nan 0.000 0.422 277 Q N 0.459 120.226 119.800 -0.054 0.000 2.084 277 Q HA -0.128 4.202 4.340 -0.017 0.000 0.202 277 Q C 1.872 177.851 176.000 -0.035 0.000 0.978 277 Q CA 1.235 57.014 55.803 -0.040 0.000 0.844 277 Q CB 0.137 28.866 28.738 -0.015 0.000 0.898 277 Q HN 0.212 nan 8.270 nan 0.000 0.426 278 K N 0.248 120.645 120.400 -0.006 0.000 2.097 278 K HA -0.114 4.196 4.320 -0.017 0.000 0.206 278 K C 2.102 178.684 176.600 -0.030 0.000 1.049 278 K CA 0.845 57.138 56.287 0.011 0.000 0.933 278 K CB -0.168 32.385 32.500 0.087 0.000 0.717 278 K HN 0.306 nan 8.250 nan 0.000 0.442 279 L N 0.796 121.955 121.223 -0.107 0.000 2.044 279 L HA -0.152 4.178 4.340 -0.017 0.000 0.205 279 L C 2.444 179.237 176.870 -0.130 0.000 1.075 279 L CA 1.204 55.947 54.840 -0.162 0.000 0.747 279 L CB -0.327 41.536 42.059 -0.327 0.000 0.903 279 L HN 0.103 nan 8.230 nan 0.000 0.435 280 K N 0.343 120.670 120.400 -0.121 0.000 2.044 280 K HA -0.252 4.058 4.320 -0.017 0.000 0.210 280 K C 1.942 178.484 176.600 -0.096 0.000 1.049 280 K CA 2.114 58.337 56.287 -0.107 0.000 0.927 280 K CB -0.255 32.195 32.500 -0.083 0.000 0.713 280 K HN 0.511 nan 8.250 nan 0.000 0.443 281 E N 0.791 120.950 120.200 -0.069 0.000 2.268 281 E HA -0.159 4.181 4.350 -0.017 0.000 0.195 281 E C 1.940 178.507 176.600 -0.055 0.000 0.995 281 E CA 0.908 57.276 56.400 -0.054 0.000 0.836 281 E CB -0.248 29.432 29.700 -0.033 0.000 0.763 281 E HN 0.344 nan 8.360 nan 0.000 0.491 282 I N 0.984 121.519 120.570 -0.058 0.000 2.286 282 I HA -0.203 3.957 4.170 -0.017 0.000 0.245 282 I C 2.441 178.504 176.117 -0.089 0.000 1.104 282 I CA 0.434 61.706 61.300 -0.047 0.000 1.397 282 I CB -0.177 37.810 38.000 -0.020 0.000 1.072 282 I HN 0.105 nan 8.210 nan 0.000 0.417 283 I N 1.406 121.882 120.570 -0.157 0.000 2.145 283 I HA -0.336 3.824 4.170 -0.017 0.000 0.244 283 I C 2.388 178.316 176.117 -0.315 0.000 1.075 283 I CA 1.916 63.019 61.300 -0.328 0.000 1.332 283 I CB -1.111 36.649 38.000 -0.399 0.000 1.033 283 I HN 0.280 nan 8.210 nan 0.000 0.410 284 K N 0.033 120.322 120.400 -0.185 0.000 2.209 284 K HA -0.150 4.160 4.320 -0.017 0.000 0.204 284 K C 2.183 178.749 176.600 -0.056 0.000 1.048 284 K CA 1.088 57.311 56.287 -0.106 0.000 0.940 284 K CB -0.111 32.348 32.500 -0.069 0.000 0.729 284 K HN 0.315 nan 8.250 nan 0.000 0.451 285 R N -0.005 120.465 120.500 -0.049 0.000 2.173 285 R HA 0.059 4.389 4.340 -0.017 0.000 0.208 285 R C 0.238 176.541 176.300 0.005 0.000 1.035 285 R CA 0.450 56.541 56.100 -0.015 0.000 1.004 285 R CB 0.445 30.740 30.300 -0.009 0.000 0.917 285 R HN 0.066 nan 8.270 nan 0.000 0.462 286 Q N 0.315 120.116 119.800 0.000 0.000 2.400 286 Q HA 0.182 4.512 4.340 -0.017 0.000 0.255 286 Q C -2.107 173.970 176.000 0.129 0.000 1.008 286 Q CA -1.929 53.905 55.803 0.051 0.000 0.841 286 Q CB 1.753 30.526 28.738 0.057 0.000 1.220 286 Q HN 0.004 nan 8.270 nan 0.000 0.474 287 P HA -0.113 nan 4.420 nan 0.000 0.216 287 P C -0.307 177.101 177.300 0.181 0.000 1.153 287 P CA 1.148 64.345 63.100 0.163 0.000 0.848 287 P CB 0.409 32.157 31.700 0.080 0.000 0.787 288 K N 0.450 120.916 120.400 0.109 0.000 2.250 288 K HA 0.231 4.541 4.320 -0.017 0.000 0.285 288 K C -0.277 176.376 176.600 0.089 0.000 1.097 288 K CA -0.241 56.068 56.287 0.036 0.000 0.913 288 K CB -0.225 32.289 32.500 0.023 0.000 1.179 288 K HN 0.401 nan 8.250 nan 0.000 0.462 289 H N -1.084 117.989 119.070 0.006 0.000 2.974 289 H HA 0.346 4.892 4.556 -0.017 0.000 0.366 289 H C -0.623 174.708 175.328 0.005 0.000 1.155 289 H CA -1.157 54.894 56.048 0.004 0.000 1.186 289 H CB 0.942 30.705 29.762 0.002 0.000 1.799 289 H HN 0.340 nan 8.280 nan 0.000 0.541 290 S N 2.576 118.331 115.700 0.091 0.000 2.593 290 S HA 0.233 4.693 4.470 -0.017 0.000 0.269 290 S C -0.191 174.469 174.600 0.101 0.000 1.334 290 S CA -0.881 57.350 58.200 0.052 0.000 1.015 290 S CB 0.933 64.167 63.200 0.056 0.000 0.912 290 S HN 0.718 nan 8.310 nan 0.000 0.541 291 Q N 0.484 120.324 119.800 0.066 0.000 2.351 291 Q HA 0.506 4.836 4.340 -0.017 0.000 0.273 291 Q C -2.747 173.315 176.000 0.104 0.000 1.077 291 Q CA -2.345 53.508 55.803 0.082 0.000 0.843 291 Q CB 1.271 30.036 28.738 0.046 0.000 1.367 291 Q HN 0.438 nan 8.270 nan 0.000 0.449 292 P HA 0.008 nan 4.420 nan 0.000 0.268 292 P C -1.753 175.668 177.300 0.201 0.000 1.208 292 P CA -0.615 62.595 63.100 0.183 0.000 0.777 292 P CB 0.207 32.013 31.700 0.177 0.000 0.875 293 P HA -0.041 nan 4.420 nan 0.000 0.235 293 P C 1.077 178.528 177.300 0.252 0.000 1.177 293 P CA 0.699 63.942 63.100 0.238 0.000 0.785 293 P CB -0.068 31.711 31.700 0.132 0.000 0.885 294 V N -1.741 118.271 119.914 0.164 0.000 3.041 294 V HA -0.010 4.100 4.120 -0.017 0.000 0.260 294 V C 1.224 177.430 176.094 0.187 0.000 1.105 294 V CA 0.618 62.990 62.300 0.119 0.000 1.125 294 V CB -1.767 30.084 31.823 0.046 0.000 0.730 294 V HN 0.152 nan 8.190 nan 0.000 0.479 295 S N -0.287 115.529 115.700 0.192 0.000 2.589 295 S HA 0.284 4.744 4.470 -0.017 0.000 0.265 295 S C 0.950 175.666 174.600 0.193 0.000 1.342 295 S CA -0.031 58.291 58.200 0.203 0.000 1.005 295 S CB 1.320 64.594 63.200 0.125 0.000 0.909 295 S HN 0.365 nan 8.310 nan 0.000 0.555 296 L N 0.669 121.910 121.223 0.029 0.000 2.093 296 L HA -0.037 4.293 4.340 -0.017 0.000 0.208 296 L C 2.209 178.955 176.870 -0.208 0.000 1.085 296 L CA 1.232 55.880 54.840 -0.320 0.000 0.755 296 L CB -0.383 41.331 42.059 -0.575 0.000 0.904 296 L HN 0.762 nan 8.230 nan 0.000 0.435 297 I N -0.865 119.616 120.570 -0.148 0.000 2.315 297 I HA -0.196 3.964 4.170 -0.017 0.000 0.248 297 I C 2.538 178.659 176.117 0.007 0.000 1.117 297 I CA 1.154 62.381 61.300 -0.121 0.000 1.404 297 I CB -0.987 36.954 38.000 -0.098 0.000 1.071 297 I HN 0.303 nan 8.210 nan 0.000 0.419 298 G N 0.653 109.505 108.800 0.086 0.000 2.442 298 G HA2 -0.228 3.722 3.960 -0.017 0.000 0.219 298 G HA3 -0.228 3.722 3.960 -0.017 0.000 0.219 298 G C 1.572 176.651 174.900 0.299 0.000 1.141 298 G CA 0.405 45.625 45.100 0.199 0.000 0.763 298 G HN 0.305 nan 8.290 nan 0.000 0.554 299 Q N 0.241 120.193 119.800 0.253 0.000 2.084 299 Q HA 0.038 4.368 4.340 -0.017 0.000 0.202 299 Q C 2.729 178.876 176.000 0.245 0.000 0.978 299 Q CA 0.659 56.623 55.803 0.269 0.000 0.844 299 Q CB -0.677 28.132 28.738 0.117 0.000 0.898 299 Q HN 0.493 nan 8.270 nan 0.000 0.426 300 L N -0.159 121.148 121.223 0.140 0.000 2.083 300 L HA -0.171 4.159 4.340 -0.017 0.000 0.209 300 L C 2.306 179.286 176.870 0.185 0.000 1.083 300 L CA 0.767 55.685 54.840 0.130 0.000 0.752 300 L CB -0.296 41.771 42.059 0.014 0.000 0.899 300 L HN 0.233 nan 8.230 nan 0.000 0.433 301 M N -1.902 117.814 119.600 0.193 0.000 2.229 301 M HA -0.193 4.277 4.480 -0.017 0.000 0.264 301 M C 2.002 178.443 176.300 0.235 0.000 1.063 301 M CA 1.545 56.982 55.300 0.228 0.000 1.114 301 M CB -1.254 31.426 32.600 0.132 0.000 1.387 301 M HN 0.290 nan 8.290 nan 0.000 0.420 302 W N 0.617 122.062 121.300 0.242 0.000 2.358 302 W HA -0.150 4.500 4.660 -0.017 0.000 0.303 302 W C 2.765 179.366 176.519 0.137 0.000 1.208 302 W CA 1.248 58.650 57.345 0.096 0.000 1.274 302 W CB -0.442 28.972 29.460 -0.078 0.000 1.138 302 W HN 0.233 nan 8.180 nan 0.000 0.515 303 R N 0.852 121.605 120.500 0.422 0.000 2.083 303 R HA -0.201 4.129 4.340 -0.017 0.000 0.237 303 R C 1.960 178.473 176.300 0.356 0.000 1.137 303 R CA 1.915 58.250 56.100 0.393 0.000 0.951 303 R CB -0.359 30.106 30.300 0.275 0.000 0.851 303 R HN 0.083 nan 8.270 nan 0.000 0.434 304 E N -0.020 120.337 120.200 0.262 0.000 2.110 304 E HA -0.210 4.130 4.350 -0.017 0.000 0.193 304 E C 1.722 178.335 176.600 0.021 0.000 0.988 304 E CA 1.011 57.578 56.400 0.278 0.000 0.804 304 E CB -0.382 29.618 29.700 0.500 0.000 0.745 304 E HN 0.370 nan 8.360 nan 0.000 0.458 305 F N 0.925 120.546 119.950 -0.548 0.000 2.084 305 F HA -0.227 4.290 4.527 -0.017 0.000 0.296 305 F C 2.083 177.530 175.800 -0.588 0.000 1.111 305 F CA 1.272 58.540 58.000 -1.219 0.000 1.224 305 F CB -0.521 37.797 39.000 -1.136 0.000 0.991 305 F HN -0.102 nan 8.300 nan 0.000 0.471 306 Y N -0.922 119.153 120.300 -0.375 0.000 2.224 306 Y HA -0.201 4.338 4.550 -0.017 0.000 0.289 306 Y C 2.389 178.035 175.900 -0.422 0.000 1.146 306 Y CA 1.636 59.458 58.100 -0.463 0.000 1.182 306 Y CB -1.352 37.032 38.460 -0.127 0.000 0.983 306 Y HN 0.138 nan 8.280 nan 0.000 0.524 307 Y N 0.047 120.287 120.300 -0.099 0.000 2.145 307 Y HA -0.277 4.262 4.550 -0.017 0.000 0.286 307 Y C 2.610 178.445 175.900 -0.107 0.000 1.145 307 Y CA 2.200 60.273 58.100 -0.044 0.000 1.148 307 Y CB -0.833 37.682 38.460 0.091 0.000 0.981 307 Y HN 0.024 nan 8.280 nan 0.000 0.507 308 T N -0.206 114.367 114.554 0.031 0.000 2.635 308 T HA -0.231 4.108 4.350 -0.017 0.000 0.267 308 T C 2.085 176.743 174.700 -0.070 0.000 1.040 308 T CA 2.195 64.315 62.100 0.034 0.000 1.156 308 T CB -0.993 67.945 68.868 0.116 0.000 0.863 308 T HN 0.356 nan 8.240 nan 0.000 0.430 309 V N 0.942 120.677 119.914 -0.298 0.000 2.490 309 V HA -0.009 4.101 4.120 -0.017 0.000 0.250 309 V C 2.657 178.600 176.094 -0.252 0.000 1.061 309 V CA 1.444 63.598 62.300 -0.243 0.000 1.064 309 V CB -1.582 29.930 31.823 -0.517 0.000 0.670 309 V HN 0.457 nan 8.190 nan 0.000 0.461 310 A N 0.568 122.993 122.820 -0.658 0.000 2.014 310 A HA 0.232 4.542 4.320 -0.017 0.000 0.218 310 A C 2.449 180.008 177.584 -0.042 0.000 1.163 310 A CA 1.756 53.295 52.037 -0.830 0.000 0.652 310 A CB -0.835 17.553 19.000 -1.019 0.000 0.808 310 A HN 0.890 nan 8.150 nan 0.000 0.449 311 A N -0.021 122.820 122.820 0.035 0.000 1.933 311 A HA 0.166 4.476 4.320 -0.017 0.000 0.218 311 A C 2.414 180.094 177.584 0.159 0.000 1.175 311 A CA 1.901 54.018 52.037 0.133 0.000 0.628 311 A CB -0.795 18.286 19.000 0.135 0.000 0.814 311 A HN 0.985 nan 8.150 nan 0.000 0.444 312 A N -0.886 122.043 122.820 0.182 0.000 2.014 312 A HA 0.125 4.435 4.320 -0.017 0.000 0.218 312 A C 1.058 178.778 177.584 0.227 0.000 1.163 312 A CA 1.396 53.556 52.037 0.204 0.000 0.652 312 A CB -0.090 19.056 19.000 0.243 0.000 0.808 312 A HN 0.477 nan 8.150 nan 0.000 0.449 313 E N -0.255 120.143 120.200 0.331 0.000 2.182 313 E HA 0.361 4.701 4.350 -0.017 0.000 0.258 313 E C -2.190 174.676 176.600 0.444 0.000 0.879 313 E CA -2.351 54.269 56.400 0.365 0.000 0.754 313 E CB 1.734 31.730 29.700 0.493 0.000 1.162 313 E HN 0.062 nan 8.360 nan 0.000 0.419 314 P HA -0.005 nan 4.420 nan 0.000 0.229 314 P C -0.177 177.396 177.300 0.455 0.000 1.160 314 P CA 0.433 63.756 63.100 0.371 0.000 0.777 314 P CB 0.398 32.222 31.700 0.207 0.000 0.814 315 N N -0.533 118.395 118.700 0.380 0.000 2.378 315 N HA 0.069 4.799 4.740 -0.017 0.000 0.243 315 N C 0.725 176.460 175.510 0.373 0.000 1.137 315 N CA -0.265 52.985 53.050 0.333 0.000 0.862 315 N CB -0.701 37.911 38.487 0.208 0.000 1.116 315 N HN 0.068 nan 8.380 nan 0.000 0.499 316 F N 2.110 122.235 119.950 0.292 0.000 2.234 316 F HA -0.154 4.363 4.527 -0.017 0.000 0.299 316 F C 1.540 177.356 175.800 0.026 0.000 1.087 316 F CA 1.235 59.296 58.000 0.101 0.000 1.340 316 F CB 0.237 39.133 39.000 -0.173 0.000 1.031 316 F HN 0.110 nan 8.300 nan 0.000 0.500 317 D N -0.999 119.487 120.400 0.143 0.000 2.349 317 D HA -0.007 4.623 4.640 -0.017 0.000 0.224 317 D C 0.381 176.762 176.300 0.134 0.000 1.029 317 D CA 0.326 54.387 54.000 0.101 0.000 0.879 317 D CB -0.207 40.683 40.800 0.151 0.000 0.906 317 D HN 0.187 nan 8.370 nan 0.000 0.528 318 R N -0.489 120.111 120.500 0.167 0.000 2.807 318 R HA 0.414 4.744 4.340 -0.017 0.000 0.276 318 R C 0.766 177.162 176.300 0.160 0.000 0.979 318 R CA -0.700 55.401 56.100 0.001 0.000 0.928 318 R CB 1.969 32.273 30.300 0.007 0.000 1.191 318 R HN -0.032 nan 8.270 nan 0.000 0.471 319 M N 1.427 121.045 119.600 0.030 0.000 2.098 319 M HA 0.041 4.511 4.480 -0.017 0.000 0.262 319 M C 0.078 176.447 176.300 0.116 0.000 1.072 319 M CA 1.454 56.887 55.300 0.222 0.000 1.133 319 M CB 0.236 32.935 32.600 0.166 0.000 1.344 319 M HN 0.357 nan 8.290 nan 0.000 0.414 320 L N 1.697 122.944 121.223 0.041 0.000 2.462 320 L HA 0.238 4.568 4.340 -0.017 0.000 0.272 320 L C 0.932 177.831 176.870 0.049 0.000 1.166 320 L CA 1.380 56.239 54.840 0.032 0.000 0.880 320 L CB 0.370 42.432 42.059 0.004 0.000 1.142 320 L HN 0.689 nan 8.230 nan 0.000 0.473 321 G N 2.527 111.354 108.800 0.046 0.000 2.136 321 G HA2 -0.282 3.668 3.960 -0.017 0.000 0.242 321 G HA3 -0.282 3.668 3.960 -0.017 0.000 0.242 321 G C 0.204 175.144 174.900 0.066 0.000 0.989 321 G CA 0.084 45.214 45.100 0.051 0.000 0.682 321 G HN 0.682 nan 8.290 nan 0.000 0.522 322 N N 0.008 118.749 118.700 0.068 0.000 2.424 322 N HA 0.435 5.165 4.740 -0.017 0.000 0.271 322 N C 1.215 176.720 175.510 -0.009 0.000 0.985 322 N CA 0.145 53.240 53.050 0.074 0.000 0.921 322 N CB 1.828 40.390 38.487 0.125 0.000 1.149 322 N HN 0.130 nan 8.380 nan 0.000 0.492 323 V N 4.978 124.821 119.914 -0.119 0.000 2.759 323 V HA -0.156 3.954 4.120 -0.017 0.000 0.256 323 V C 0.651 176.567 176.094 -0.296 0.000 1.080 323 V CA 1.708 63.853 62.300 -0.258 0.000 1.101 323 V CB -0.524 31.070 31.823 -0.381 0.000 0.698 323 V HN 0.643 nan 8.190 nan 0.000 0.477 324 Y N -1.420 118.886 120.300 0.010 0.000 2.441 324 Y HA 0.296 4.836 4.550 -0.016 0.000 0.288 324 Y C 1.642 177.446 175.900 -0.160 0.000 1.118 324 Y CA 0.089 58.135 58.100 -0.090 0.000 1.215 324 Y CB -0.694 37.669 38.460 -0.162 0.000 1.118 324 Y HN 0.231 nan 8.280 nan 0.000 0.547 325 C N 2.902 122.219 119.300 0.028 0.000 2.566 325 C HA 0.367 4.817 4.460 -0.017 0.000 0.393 325 C C 0.678 175.678 174.990 0.017 0.000 1.309 325 C CA -1.239 57.776 59.018 -0.005 0.000 1.801 325 C CB -1.724 26.077 27.740 0.102 0.000 2.493 325 C HN 0.348 nan 8.230 nan 0.000 0.575 326 M N 6.069 125.663 119.600 -0.011 0.000 2.252 326 M HA 0.128 4.598 4.480 -0.017 0.000 0.348 326 M C 0.297 176.610 176.300 0.021 0.000 1.334 326 M CA 1.047 56.328 55.300 -0.031 0.000 1.071 326 M CB 0.431 32.991 32.600 -0.068 0.000 1.763 326 M HN 0.621 nan 8.290 nan 0.000 0.452 327 Q N 6.231 126.019 119.800 -0.020 0.000 2.296 327 Q HA 0.374 4.704 4.340 -0.017 0.000 0.263 327 Q C -1.039 174.898 176.000 -0.104 0.000 1.026 327 Q CA 0.467 56.254 55.803 -0.027 0.000 0.912 327 Q CB 0.004 28.724 28.738 -0.030 0.000 1.198 327 Q HN 0.675 nan 8.270 nan 0.000 0.407 328 I N 5.001 125.438 120.570 -0.223 0.000 2.447 328 I HA 0.230 4.390 4.170 -0.017 0.000 0.287 328 I C -2.102 173.592 176.117 -0.704 0.000 1.023 328 I CA -2.263 58.711 61.300 -0.543 0.000 1.083 328 I CB 2.583 39.998 38.000 -0.975 0.000 1.245 328 I HN 0.263 nan 8.210 nan 0.000 0.434 329 P HA -0.010 nan 4.420 nan 0.000 0.252 329 P C -0.866 176.352 177.300 -0.137 0.000 1.694 329 P CA 0.008 63.010 63.100 -0.164 0.000 1.163 329 P CB -0.524 31.180 31.700 0.007 0.000 1.934 330 W N 1.707 122.906 121.300 -0.169 0.000 2.158 330 W HA 0.205 4.856 4.660 -0.016 0.000 0.339 330 W C 0.922 177.385 176.519 -0.094 0.000 1.294 330 W CA -0.528 56.586 57.345 -0.385 0.000 1.231 330 W CB 0.503 29.700 29.460 -0.439 0.000 1.143 330 W HN 0.240 nan 8.180 nan 0.000 0.571 331 Q N 1.814 121.783 119.800 0.282 0.000 2.309 331 Q HA 0.185 4.515 4.340 -0.017 0.000 0.264 331 Q C -0.329 175.777 176.000 0.177 0.000 1.008 331 Q CA -1.026 54.940 55.803 0.271 0.000 0.853 331 Q CB 1.906 30.884 28.738 0.400 0.000 1.314 331 Q HN 0.327 nan 8.270 nan 0.000 0.448 332 E N 2.088 122.354 120.200 0.110 0.000 2.344 332 E HA 0.048 4.388 4.350 -0.017 0.000 0.270 332 E C -0.507 176.157 176.600 0.107 0.000 1.021 332 E CA 0.316 56.754 56.400 0.064 0.000 0.887 332 E CB 0.670 30.378 29.700 0.013 0.000 0.997 332 E HN 0.442 nan 8.360 nan 0.000 0.429 333 H N 3.903 122.990 119.070 0.027 0.000 2.750 333 H HA 0.180 4.726 4.556 -0.017 0.000 0.261 333 H C -2.156 173.185 175.328 0.022 0.000 1.387 333 H CA -1.763 54.299 56.048 0.023 0.000 1.557 333 H CB 0.992 30.799 29.762 0.074 0.000 1.756 333 H HN 0.194 nan 8.280 nan 0.000 0.580 334 P HA -0.135 nan 4.420 nan 0.000 0.217 334 P C 1.188 178.582 177.300 0.156 0.000 1.148 334 P CA 1.068 64.221 63.100 0.088 0.000 0.828 334 P CB 0.693 32.405 31.700 0.019 0.000 0.783 335 D N -1.586 118.927 120.400 0.190 0.000 2.077 335 D HA -0.143 4.487 4.640 -0.017 0.000 0.196 335 D C 1.891 178.368 176.300 0.295 0.000 0.986 335 D CA 1.296 55.420 54.000 0.206 0.000 0.829 335 D CB -0.909 39.975 40.800 0.140 0.000 0.983 335 D HN 0.372 nan 8.370 nan 0.000 0.453 336 H N -0.594 118.662 119.070 0.310 0.000 2.491 336 H HA -0.038 4.508 4.556 -0.017 0.000 0.290 336 H C 1.928 177.365 175.328 0.181 0.000 1.050 336 H CA -0.042 56.066 56.048 0.099 0.000 1.309 336 H CB 0.321 29.933 29.762 -0.251 0.000 1.392 336 H HN 0.014 nan 8.280 nan 0.000 0.554 337 L N 0.997 122.401 121.223 0.302 0.000 2.072 337 L HA -0.108 4.222 4.340 -0.017 0.000 0.205 337 L C 2.333 179.396 176.870 0.321 0.000 1.079 337 L CA 1.594 56.583 54.840 0.249 0.000 0.752 337 L CB -0.218 41.926 42.059 0.142 0.000 0.906 337 L HN 0.097 nan 8.230 nan 0.000 0.436 338 E N -0.066 120.305 120.200 0.285 0.000 2.085 338 E HA -0.212 4.128 4.350 -0.017 0.000 0.194 338 E C 2.066 178.886 176.600 0.367 0.000 0.994 338 E CA 1.638 58.226 56.400 0.313 0.000 0.801 338 E CB -0.325 29.511 29.700 0.225 0.000 0.743 338 E HN 0.537 nan 8.360 nan 0.000 0.453 339 A N -0.147 122.864 122.820 0.319 0.000 1.873 339 A HA -0.150 4.160 4.320 -0.017 0.000 0.215 339 A C 2.159 179.918 177.584 0.291 0.000 1.186 339 A CA 1.492 53.697 52.037 0.280 0.000 0.616 339 A CB -1.363 17.802 19.000 0.275 0.000 0.823 339 A HN 0.637 nan 8.150 nan 0.000 0.442 340 W N 1.286 122.684 121.300 0.162 0.000 2.358 340 W HA -0.157 4.494 4.660 -0.015 0.000 0.303 340 W C 2.103 178.664 176.519 0.070 0.000 1.208 340 W CA 2.474 59.898 57.345 0.131 0.000 1.274 340 W CB -0.439 29.122 29.460 0.168 0.000 1.138 340 W HN 0.284 nan 8.180 nan 0.000 0.515 341 T N -0.829 113.856 114.554 0.218 0.000 2.881 341 T HA -0.223 4.117 4.350 -0.017 0.000 0.270 341 T C 0.559 175.002 174.700 -0.427 0.000 1.068 341 T CA 1.931 63.956 62.100 -0.125 0.000 1.131 341 T CB -0.429 68.394 68.868 -0.073 0.000 0.871 341 T HN 0.288 nan 8.240 nan 0.000 0.479 342 H N -0.691 118.361 119.070 -0.030 0.000 2.672 342 H HA 0.457 5.003 4.556 -0.017 0.000 0.277 342 H C 1.313 176.599 175.328 -0.069 0.000 1.074 342 H CA -0.026 55.996 56.048 -0.043 0.000 1.173 342 H CB 0.416 30.182 29.762 0.006 0.000 1.558 342 H HN 0.339 nan 8.280 nan 0.000 0.539 343 G N 1.772 110.545 108.800 -0.045 0.000 2.324 343 G HA2 -0.327 3.622 3.960 -0.017 0.000 0.292 343 G HA3 -0.327 3.622 3.960 -0.017 0.000 0.292 343 G C 0.356 175.259 174.900 0.005 0.000 1.079 343 G CA -0.083 44.978 45.100 -0.064 0.000 1.026 343 G HN 0.493 nan 8.290 nan 0.000 0.506 344 R N -0.355 120.160 120.500 0.025 0.000 2.698 344 R HA 0.197 4.527 4.340 -0.017 0.000 0.422 344 R C 2.067 178.365 176.300 -0.004 0.000 1.073 344 R CA 0.460 56.542 56.100 -0.031 0.000 1.054 344 R CB 0.136 30.436 30.300 0.000 0.000 1.373 344 R HN 0.463 nan 8.270 nan 0.000 0.593 345 T N -3.379 111.208 114.554 0.055 0.000 2.904 345 T HA 0.038 4.378 4.350 -0.017 0.000 0.267 345 T C 1.607 176.390 174.700 0.137 0.000 1.059 345 T CA 1.314 63.518 62.100 0.174 0.000 1.137 345 T CB 0.251 69.251 68.868 0.220 0.000 0.879 345 T HN 0.407 nan 8.240 nan 0.000 0.467 346 G N 0.087 108.884 108.800 -0.006 0.000 2.213 346 G HA2 -0.205 3.745 3.960 -0.017 0.000 0.226 346 G HA3 -0.205 3.745 3.960 -0.017 0.000 0.226 346 G C -0.115 174.939 174.900 0.256 0.000 0.992 346 G CA -0.118 44.958 45.100 -0.041 0.000 0.632 346 G HN 0.611 nan 8.290 nan 0.000 0.511 347 Y N 1.252 121.714 120.300 0.271 0.000 2.477 347 Y HA 0.421 4.961 4.550 -0.017 0.000 0.349 347 Y C -0.934 175.122 175.900 0.260 0.000 0.977 347 Y CA -1.698 56.600 58.100 0.330 0.000 1.214 347 Y CB 1.528 40.050 38.460 0.104 0.000 1.124 347 Y HN 0.009 nan 8.280 nan 0.000 0.521 348 P HA -0.269 nan 4.420 nan 0.000 0.215 348 P C 1.682 179.080 177.300 0.164 0.000 1.157 348 P CA 1.438 64.635 63.100 0.162 0.000 0.874 348 P CB 0.051 31.686 31.700 -0.108 0.000 0.790 349 F N 0.277 120.288 119.950 0.103 0.000 2.095 349 F HA -0.192 4.325 4.527 -0.017 0.000 0.298 349 F C 1.949 177.808 175.800 0.098 0.000 1.104 349 F CA 1.444 59.529 58.000 0.142 0.000 1.232 349 F CB -0.776 38.399 39.000 0.291 0.000 0.987 349 F HN -0.242 nan 8.300 nan 0.000 0.475 350 I N 0.552 121.090 120.570 -0.055 0.000 2.226 350 I HA -0.266 3.894 4.170 -0.017 0.000 0.245 350 I C 1.995 177.964 176.117 -0.247 0.000 1.100 350 I CA 1.459 62.590 61.300 -0.281 0.000 1.374 350 I CB -1.452 36.284 38.000 -0.441 0.000 1.057 350 I HN 0.159 nan 8.210 nan 0.000 0.413 351 D N 1.097 121.443 120.400 -0.091 0.000 2.117 351 D HA -0.072 4.558 4.640 -0.017 0.000 0.198 351 D C 2.298 178.539 176.300 -0.099 0.000 0.982 351 D CA 1.501 55.465 54.000 -0.059 0.000 0.828 351 D CB -0.092 40.774 40.800 0.111 0.000 0.967 351 D HN 0.273 nan 8.370 nan 0.000 0.464 352 A N 0.603 123.379 122.820 -0.074 0.000 1.933 352 A HA -0.142 4.168 4.320 -0.017 0.000 0.218 352 A C 2.343 179.781 177.584 -0.242 0.000 1.175 352 A CA 0.940 52.910 52.037 -0.112 0.000 0.628 352 A CB -0.666 18.316 19.000 -0.031 0.000 0.814 352 A HN 0.201 nan 8.150 nan 0.000 0.444 353 I N -0.971 119.487 120.570 -0.185 0.000 2.233 353 I HA -0.229 3.931 4.170 -0.017 0.000 0.243 353 I C 2.518 178.435 176.117 -0.334 0.000 1.093 353 I CA 1.007 62.168 61.300 -0.232 0.000 1.380 353 I CB -0.299 37.485 38.000 -0.361 0.000 1.067 353 I HN 0.221 nan 8.210 nan 0.000 0.413 354 M N 0.255 119.641 119.600 -0.357 0.000 2.213 354 M HA -0.163 4.307 4.480 -0.017 0.000 0.263 354 M C 2.342 178.456 176.300 -0.311 0.000 1.062 354 M CA 1.706 56.762 55.300 -0.406 0.000 1.105 354 M CB -1.234 31.062 32.600 -0.507 0.000 1.385 354 M HN 0.198 nan 8.290 nan 0.000 0.417 355 R N -0.516 119.837 120.500 -0.246 0.000 2.090 355 R HA -0.118 4.212 4.340 -0.017 0.000 0.228 355 R C 2.218 178.395 176.300 -0.206 0.000 1.110 355 R CA 1.033 57.038 56.100 -0.159 0.000 0.973 355 R CB -0.315 29.953 30.300 -0.055 0.000 0.869 355 R HN 0.513 nan 8.270 nan 0.000 0.440 356 Q N 0.894 120.422 119.800 -0.453 0.000 2.119 356 Q HA -0.158 4.172 4.340 -0.017 0.000 0.201 356 Q C 2.069 177.911 176.000 -0.263 0.000 0.972 356 Q CA 1.082 56.537 55.803 -0.579 0.000 0.847 356 Q CB 0.043 28.159 28.738 -1.036 0.000 0.903 356 Q HN 0.201 nan 8.270 nan 0.000 0.433 357 L N 0.947 121.998 121.223 -0.286 0.000 2.017 357 L HA -0.178 4.152 4.340 -0.017 0.000 0.208 357 L C 2.464 179.225 176.870 -0.181 0.000 1.073 357 L CA 2.047 56.726 54.840 -0.267 0.000 0.745 357 L CB -0.555 41.266 42.059 -0.396 0.000 0.894 357 L HN 0.138 nan 8.230 nan 0.000 0.432 358 R N -1.185 119.215 120.500 -0.166 0.000 2.075 358 R HA -0.156 4.174 4.340 -0.017 0.000 0.232 358 R C 2.295 178.573 176.300 -0.036 0.000 1.126 358 R CA 1.781 57.822 56.100 -0.100 0.000 0.963 358 R CB -0.149 30.096 30.300 -0.092 0.000 0.858 358 R HN 0.574 nan 8.270 nan 0.000 0.435 359 Q N -0.471 119.318 119.800 -0.019 0.000 2.062 359 Q HA -0.115 4.215 4.340 -0.017 0.000 0.196 359 Q C 1.542 177.576 176.000 0.056 0.000 0.967 359 Q CA 1.641 57.465 55.803 0.034 0.000 0.832 359 Q CB 0.247 29.032 28.738 0.079 0.000 0.899 359 Q HN 0.440 nan 8.270 nan 0.000 0.442 360 E N -1.630 118.612 120.200 0.069 0.000 2.413 360 E HA 0.122 4.462 4.350 -0.017 0.000 0.203 360 E C 0.703 177.421 176.600 0.197 0.000 0.957 360 E CA 0.394 56.876 56.400 0.138 0.000 0.950 360 E CB 1.015 30.832 29.700 0.196 0.000 0.957 360 E HN 0.442 nan 8.360 nan 0.000 0.497 361 G N 1.226 110.090 108.800 0.107 0.000 2.176 361 G HA2 -0.269 3.681 3.960 -0.017 0.000 0.253 361 G HA3 -0.269 3.681 3.960 -0.017 0.000 0.253 361 G C -0.557 174.410 174.900 0.112 0.000 0.979 361 G CA 0.351 45.492 45.100 0.068 0.000 0.641 361 G HN 0.257 nan 8.290 nan 0.000 0.530 362 W N 0.926 122.210 121.300 -0.027 0.000 3.129 362 W HA 0.681 5.331 4.660 -0.016 0.000 0.333 362 W C -0.501 175.975 176.519 -0.071 0.000 1.141 362 W CA -1.135 56.155 57.345 -0.092 0.000 1.224 362 W CB 0.980 30.357 29.460 -0.138 0.000 1.393 362 W HN 0.430 nan 8.180 nan 0.000 0.499 363 I N 2.169 122.204 120.570 -0.892 0.000 2.828 363 I HA 0.406 4.566 4.170 -0.017 0.000 0.302 363 I C 0.041 175.235 176.117 -1.538 0.000 1.101 363 I CA -1.349 59.415 61.300 -0.893 0.000 1.031 363 I CB 1.878 39.559 38.000 -0.532 0.000 1.231 363 I HN 0.436 nan 8.210 nan 0.000 0.427 364 H N 4.120 122.521 119.070 -1.115 0.000 2.929 364 H HA -0.033 4.512 4.556 -0.017 0.000 0.358 364 H C 0.726 175.797 175.328 -0.430 0.000 1.111 364 H CA 0.965 56.602 56.048 -0.687 0.000 1.409 364 H CB 0.831 30.497 29.762 -0.161 0.000 1.373 364 H HN 0.866 nan 8.280 nan 0.000 0.610 365 H N 4.664 123.281 119.070 -0.754 0.000 2.352 365 H HA -0.130 4.416 4.556 -0.017 0.000 0.299 365 H C 1.836 177.032 175.328 -0.220 0.000 1.097 365 H CA 1.927 57.704 56.048 -0.452 0.000 1.311 365 H CB 0.266 29.772 29.762 -0.427 0.000 1.377 365 H HN 0.613 nan 8.280 nan 0.000 0.504 366 L N 0.209 121.449 121.223 0.028 0.000 2.217 366 L HA -0.073 4.257 4.340 -0.017 0.000 0.211 366 L C 3.078 179.971 176.870 0.037 0.000 1.107 366 L CA 0.706 55.593 54.840 0.078 0.000 0.783 366 L CB -0.451 41.870 42.059 0.438 0.000 0.919 366 L HN 0.299 nan 8.230 nan 0.000 0.442 367 A N 0.291 123.124 122.820 0.022 0.000 1.897 367 A HA -0.155 4.155 4.320 -0.017 0.000 0.215 367 A C 2.379 179.819 177.584 -0.240 0.000 1.181 367 A CA 1.035 52.999 52.037 -0.122 0.000 0.620 367 A CB -0.351 18.527 19.000 -0.203 0.000 0.821 367 A HN 0.282 nan 8.150 nan 0.000 0.443 368 R N -1.358 118.962 120.500 -0.300 0.000 2.105 368 R HA -0.127 4.203 4.340 -0.017 0.000 0.239 368 R C 2.244 178.313 176.300 -0.385 0.000 1.135 368 R CA 1.746 57.698 56.100 -0.248 0.000 0.967 368 R CB -0.402 29.743 30.300 -0.258 0.000 0.861 368 R HN 0.624 nan 8.270 nan 0.000 0.442 369 M N 0.192 119.449 119.600 -0.573 0.000 2.175 369 M HA -0.097 4.373 4.480 -0.017 0.000 0.264 369 M C 2.232 178.070 176.300 -0.769 0.000 1.063 369 M CA 1.690 56.541 55.300 -0.749 0.000 1.119 369 M CB -0.015 32.041 32.600 -0.907 0.000 1.377 369 M HN 0.216 nan 8.290 nan 0.000 0.415 370 A N -0.471 121.983 122.820 -0.610 0.000 1.898 370 A HA -0.122 4.188 4.320 -0.017 0.000 0.216 370 A C 1.996 179.510 177.584 -0.116 0.000 1.181 370 A CA 1.904 53.706 52.037 -0.391 0.000 0.620 370 A CB -1.257 17.778 19.000 0.057 0.000 0.819 370 A HN 0.534 nan 8.150 nan 0.000 0.442 371 V N -2.973 116.901 119.914 -0.066 0.000 2.719 371 V HA 0.168 4.278 4.120 -0.017 0.000 0.252 371 V C 2.422 178.733 176.094 0.362 0.000 1.065 371 V CA 1.413 63.839 62.300 0.211 0.000 1.086 371 V CB -1.101 30.821 31.823 0.166 0.000 0.700 371 V HN 0.456 nan 8.190 nan 0.000 0.467 372 A N -0.455 122.339 122.820 -0.043 0.000 1.929 372 A HA -0.162 4.148 4.320 -0.017 0.000 0.216 372 A C 2.385 179.895 177.584 -0.124 0.000 1.176 372 A CA 1.683 53.517 52.037 -0.339 0.000 0.628 372 A CB -1.134 17.192 19.000 -1.123 0.000 0.816 372 A HN 0.662 nan 8.150 nan 0.000 0.444 373 C N -1.579 117.662 119.300 -0.098 0.000 2.442 373 C HA -0.099 4.351 4.460 -0.017 0.000 0.279 373 C C 2.379 177.441 174.990 0.121 0.000 1.237 373 C CA 1.251 60.291 59.018 0.036 0.000 1.722 373 C CB -1.517 26.269 27.740 0.077 0.000 2.056 373 C HN 0.657 nan 8.230 nan 0.000 0.469 374 F N 1.049 121.014 119.950 0.024 0.000 2.115 374 F HA -0.195 4.323 4.527 -0.016 0.000 0.300 374 F C 1.998 177.785 175.800 -0.021 0.000 1.092 374 F CA 2.302 60.325 58.000 0.038 0.000 1.245 374 F CB -0.545 38.500 39.000 0.075 0.000 0.995 374 F HN 0.291 nan 8.300 nan 0.000 0.481 375 L N -0.121 121.107 121.223 0.008 0.000 2.027 375 L HA -0.066 4.263 4.340 -0.017 0.000 0.206 375 L C 2.188 178.874 176.870 -0.307 0.000 1.074 375 L CA 2.027 56.638 54.840 -0.382 0.000 0.745 375 L CB -0.924 40.562 42.059 -0.956 0.000 0.898 375 L HN 0.431 nan 8.230 nan 0.000 0.433 376 T N -1.751 112.678 114.554 -0.207 0.000 4.252 376 T HA -0.034 4.306 4.350 -0.017 0.000 0.227 376 T C 1.630 176.397 174.700 0.112 0.000 0.805 376 T CA 0.373 62.308 62.100 -0.276 0.000 1.994 376 T CB -0.606 68.099 68.868 -0.272 0.000 2.236 376 T HN 0.423 nan 8.240 nan 0.000 0.337 377 R N 1.218 121.906 120.500 0.313 0.000 2.241 377 R HA 0.128 4.458 4.340 -0.017 0.000 0.224 377 R C 2.391 178.925 176.300 0.390 0.000 1.101 377 R CA 1.223 57.647 56.100 0.538 0.000 0.995 377 R CB -1.266 29.320 30.300 0.476 0.000 0.870 377 R HN 0.577 nan 8.270 nan 0.000 0.463 378 G N 0.969 109.911 108.800 0.235 0.000 2.484 378 G HA2 -0.246 3.704 3.960 -0.017 0.000 0.215 378 G HA3 -0.246 3.704 3.960 -0.017 0.000 0.215 378 G C 0.301 175.262 174.900 0.101 0.000 1.219 378 G CA 1.613 46.822 45.100 0.183 0.000 0.791 378 G HN 0.453 nan 8.290 nan 0.000 0.550 379 D N -1.424 118.900 120.400 -0.126 0.000 2.829 379 D HA 0.134 4.764 4.640 -0.017 0.000 0.250 379 D C 2.228 178.397 176.300 -0.219 0.000 1.304 379 D CA -0.296 53.524 54.000 -0.299 0.000 1.197 379 D CB -0.103 40.149 40.800 -0.912 0.000 1.501 379 D HN 0.154 nan 8.370 nan 0.000 0.424 380 L N 0.047 121.082 121.223 -0.313 0.000 2.478 380 L HA 0.100 4.430 4.340 -0.017 0.000 0.223 380 L C 0.564 177.515 176.870 0.135 0.000 1.140 380 L CA 0.159 54.906 54.840 -0.155 0.000 0.842 380 L CB -0.055 41.873 42.059 -0.218 0.000 0.953 380 L HN 0.393 nan 8.230 nan 0.000 0.452 381 W N 1.543 122.827 121.300 -0.028 0.000 4.233 381 W HA -0.278 4.371 4.660 -0.017 0.000 0.328 381 W C -0.325 176.313 176.519 0.197 0.000 1.212 381 W CA -0.009 57.446 57.345 0.183 0.000 0.752 381 W CB -1.237 28.323 29.460 0.167 0.000 2.277 381 W HN 0.083 nan 8.180 nan 0.000 1.465 382 I N 1.558 122.053 120.570 -0.125 0.000 2.472 382 I HA 0.059 4.219 4.170 -0.017 0.000 0.290 382 I C 1.387 177.026 176.117 -0.796 0.000 1.016 382 I CA -0.080 61.032 61.300 -0.313 0.000 1.348 382 I CB 1.273 39.108 38.000 -0.276 0.000 1.417 382 I HN -0.125 nan 8.210 nan 0.000 0.521 383 S N 5.988 121.170 115.700 -0.863 0.000 2.563 383 S HA -0.029 4.431 4.470 -0.017 0.000 0.284 383 S C 1.166 175.052 174.600 -1.190 0.000 1.331 383 S CA -0.394 56.944 58.200 -1.438 0.000 1.047 383 S CB 0.359 63.001 63.200 -0.930 0.000 0.859 383 S HN 0.753 nan 8.310 nan 0.000 0.514 384 W N 3.879 124.492 121.300 -1.145 0.000 2.611 384 W HA 0.006 4.655 4.660 -0.017 0.000 0.251 384 W C 0.918 176.853 176.519 -0.972 0.000 1.265 384 W CA 0.608 57.436 57.345 -0.862 0.000 1.295 384 W CB -0.791 28.432 29.460 -0.396 0.000 1.129 384 W HN 0.781 nan 8.180 nan 0.000 0.630 385 E N 0.919 120.353 120.200 -1.276 0.000 2.208 385 E HA -0.155 4.185 4.350 -0.017 0.000 0.193 385 E C 2.024 178.189 176.600 -0.726 0.000 0.988 385 E CA 1.016 56.803 56.400 -1.021 0.000 0.828 385 E CB -0.019 29.096 29.700 -0.974 0.000 0.763 385 E HN 0.288 nan 8.360 nan 0.000 0.478 386 E N 0.335 120.107 120.200 -0.714 0.000 2.046 386 E HA -0.098 4.242 4.350 -0.017 0.000 0.190 386 E C 2.265 178.553 176.600 -0.520 0.000 0.982 386 E CA 1.068 57.162 56.400 -0.510 0.000 0.800 386 E CB -0.344 29.087 29.700 -0.447 0.000 0.756 386 E HN 0.306 nan 8.360 nan 0.000 0.449 387 G N 1.142 109.420 108.800 -0.869 0.000 2.443 387 G HA2 -0.290 3.660 3.960 -0.017 0.000 0.219 387 G HA3 -0.290 3.660 3.960 -0.017 0.000 0.219 387 G C 1.477 175.840 174.900 -0.895 0.000 1.131 387 G CA 0.508 45.095 45.100 -0.856 0.000 0.775 387 G HN 0.223 nan 8.290 nan 0.000 0.547 388 Q N -0.135 118.907 119.800 -1.263 0.000 2.170 388 Q HA -0.062 4.268 4.340 -0.017 0.000 0.203 388 Q C 2.686 178.544 176.000 -0.236 0.000 0.976 388 Q CA 0.858 56.184 55.803 -0.796 0.000 0.858 388 Q CB -0.063 28.275 28.738 -0.667 0.000 0.907 388 Q HN 0.440 nan 8.270 nan 0.000 0.433 389 R N -0.730 119.648 120.500 -0.204 0.000 2.066 389 R HA -0.109 4.221 4.340 -0.017 0.000 0.232 389 R C 2.356 178.685 176.300 0.049 0.000 1.131 389 R CA 1.478 57.548 56.100 -0.050 0.000 0.955 389 R CB -0.263 30.005 30.300 -0.053 0.000 0.851 389 R HN 0.139 nan 8.270 nan 0.000 0.432 390 V N 0.759 120.745 119.914 0.120 0.000 2.252 390 V HA -0.281 3.829 4.120 -0.017 0.000 0.249 390 V C 2.102 178.359 176.094 0.271 0.000 1.056 390 V CA 1.844 64.275 62.300 0.219 0.000 1.022 390 V CB -0.619 31.451 31.823 0.411 0.000 0.641 390 V HN 0.155 nan 8.190 nan 0.000 0.445 391 F N 0.508 120.520 119.950 0.104 0.000 2.126 391 F HA -0.164 4.354 4.527 -0.016 0.000 0.299 391 F C 2.568 178.373 175.800 0.008 0.000 1.096 391 F CA 1.781 59.842 58.000 0.102 0.000 1.255 391 F CB -0.749 38.422 39.000 0.285 0.000 0.997 391 F HN 0.241 nan 8.300 nan 0.000 0.479 392 E N -0.138 120.169 120.200 0.177 0.000 2.118 392 E HA -0.284 4.056 4.350 -0.017 0.000 0.195 392 E C 2.237 178.797 176.600 -0.066 0.000 0.992 392 E CA 1.305 57.726 56.400 0.034 0.000 0.804 392 E CB -0.175 29.535 29.700 0.017 0.000 0.741 392 E HN 0.539 nan 8.360 nan 0.000 0.458 393 Q N -0.074 119.697 119.800 -0.049 0.000 2.096 393 Q HA -0.093 4.236 4.340 -0.017 0.000 0.197 393 Q C 2.082 178.018 176.000 -0.106 0.000 0.964 393 Q CA 0.946 56.691 55.803 -0.098 0.000 0.838 393 Q CB 0.182 28.891 28.738 -0.048 0.000 0.906 393 Q HN 0.350 nan 8.270 nan 0.000 0.444 394 L N 0.314 121.482 121.223 -0.091 0.000 2.513 394 L HA 0.230 4.560 4.340 -0.017 0.000 0.222 394 L C 0.474 177.253 176.870 -0.152 0.000 1.096 394 L CA -0.217 54.549 54.840 -0.123 0.000 0.857 394 L CB 0.401 42.368 42.059 -0.153 0.000 1.026 394 L HN 0.126 nan 8.230 nan 0.000 0.469 395 L N 0.700 121.823 121.223 -0.167 0.000 2.331 395 L HA 0.122 4.452 4.340 -0.017 0.000 0.278 395 L C 1.121 177.895 176.870 -0.161 0.000 1.106 395 L CA -0.258 54.475 54.840 -0.179 0.000 0.824 395 L CB 1.613 43.569 42.059 -0.171 0.000 1.142 395 L HN 0.147 nan 8.230 nan 0.000 0.443 396 L N 1.792 122.920 121.223 -0.157 0.000 2.156 396 L HA -0.148 4.182 4.340 -0.017 0.000 0.208 396 L C 1.221 177.885 176.870 -0.343 0.000 1.095 396 L CA 0.991 55.678 54.840 -0.256 0.000 0.770 396 L CB -0.293 41.568 42.059 -0.331 0.000 0.914 396 L HN 0.775 nan 8.230 nan 0.000 0.439 397 D N -2.039 118.216 120.400 -0.242 0.000 2.358 397 D HA -0.085 4.545 4.640 -0.017 0.000 0.224 397 D C 0.917 177.129 176.300 -0.147 0.000 1.123 397 D CA -0.314 53.563 54.000 -0.204 0.000 0.833 397 D CB -0.177 40.569 40.800 -0.089 0.000 0.946 397 D HN -0.018 nan 8.370 nan 0.000 0.505 398 Q N 1.714 121.416 119.800 -0.163 0.000 2.557 398 Q HA -0.108 4.222 4.340 -0.017 0.000 0.316 398 Q C -0.896 175.065 176.000 -0.065 0.000 1.130 398 Q CA 0.966 56.715 55.803 -0.091 0.000 1.065 398 Q CB -0.032 28.632 28.738 -0.123 0.000 1.014 398 Q HN 0.426 nan 8.270 nan 0.000 0.397 399 D N 4.268 124.683 120.400 0.024 0.000 2.505 399 D HA 0.028 4.658 4.640 -0.017 0.000 0.250 399 D C 0.480 176.847 176.300 0.112 0.000 1.164 399 D CA -0.496 53.552 54.000 0.080 0.000 0.870 399 D CB 0.353 41.225 40.800 0.120 0.000 1.160 399 D HN 0.718 nan 8.370 nan 0.000 0.549 400 W N 4.721 126.002 121.300 -0.032 0.000 2.290 400 W HA -0.322 4.328 4.660 -0.017 0.000 0.318 400 W C 1.667 178.191 176.519 0.009 0.000 1.248 400 W CA 2.655 59.999 57.345 -0.002 0.000 1.263 400 W CB -0.030 29.426 29.460 -0.007 0.000 1.147 400 W HN 0.551 nan 8.180 nan 0.000 0.494 401 A N -1.068 121.690 122.820 -0.103 0.000 1.930 401 A HA -0.027 4.282 4.320 -0.017 0.000 0.215 401 A C 1.810 179.255 177.584 -0.232 0.000 1.176 401 A CA 1.435 53.240 52.037 -0.387 0.000 0.632 401 A CB -0.773 17.829 19.000 -0.663 0.000 0.819 401 A HN 0.280 nan 8.150 nan 0.000 0.445 402 L N 0.149 121.281 121.223 -0.151 0.000 2.131 402 L HA -0.017 4.313 4.340 -0.017 0.000 0.206 402 L C 2.173 178.934 176.870 -0.181 0.000 1.087 402 L CA 1.569 56.318 54.840 -0.152 0.000 0.767 402 L CB -1.025 41.041 42.059 0.012 0.000 0.917 402 L HN 0.399 nan 8.230 nan 0.000 0.441 403 N N 0.077 118.753 118.700 -0.040 0.000 2.058 403 N HA -0.147 4.583 4.740 -0.017 0.000 0.191 403 N C 1.830 177.411 175.510 0.118 0.000 1.037 403 N CA 1.658 54.769 53.050 0.102 0.000 0.848 403 N CB -0.124 38.463 38.487 0.165 0.000 1.021 403 N HN 0.290 nan 8.380 nan 0.000 0.422 404 A N -0.334 122.465 122.820 -0.036 0.000 1.902 404 A HA 0.031 4.341 4.320 -0.017 0.000 0.217 404 A C 2.303 179.743 177.584 -0.241 0.000 1.181 404 A CA 1.895 53.867 52.037 -0.108 0.000 0.623 404 A CB -1.301 17.566 19.000 -0.222 0.000 0.818 404 A HN 0.436 nan 8.150 nan 0.000 0.443 405 G N -0.269 108.446 108.800 -0.140 0.000 2.404 405 G HA2 -0.237 3.713 3.960 -0.017 0.000 0.215 405 G HA3 -0.237 3.713 3.960 -0.017 0.000 0.215 405 G C 1.444 176.137 174.900 -0.346 0.000 1.174 405 G CA 0.921 45.895 45.100 -0.211 0.000 0.780 405 G HN 0.548 nan 8.290 nan 0.000 0.537 406 N N -0.279 118.092 118.700 -0.548 0.000 2.354 406 N HA -0.061 4.669 4.740 -0.017 0.000 0.179 406 N C 1.897 177.251 175.510 -0.260 0.000 1.021 406 N CA 0.594 53.415 53.050 -0.382 0.000 0.887 406 N CB -0.154 38.057 38.487 -0.460 0.000 0.974 406 N HN 0.521 nan 8.380 nan 0.000 0.437 407 W N 1.485 122.599 121.300 -0.309 0.000 2.388 407 W HA 0.112 4.762 4.660 -0.017 0.000 0.294 407 W C 2.440 178.655 176.519 -0.508 0.000 1.212 407 W CA 0.479 57.619 57.345 -0.342 0.000 1.271 407 W CB -0.171 29.139 29.460 -0.250 0.000 1.126 407 W HN -0.011 nan 8.180 nan 0.000 0.535 408 M N -1.166 118.149 119.600 -0.475 0.000 2.175 408 M HA -0.211 4.259 4.480 -0.017 0.000 0.264 408 M C 2.115 178.337 176.300 -0.130 0.000 1.063 408 M CA 1.366 56.284 55.300 -0.636 0.000 1.119 408 M CB -0.799 31.369 32.600 -0.720 0.000 1.377 408 M HN 0.221 nan 8.290 nan 0.000 0.415 409 W N 1.287 122.567 121.300 -0.032 0.000 2.335 409 W HA -0.247 4.403 4.660 -0.016 0.000 0.311 409 W C 1.871 178.415 176.519 0.041 0.000 1.213 409 W CA 1.274 58.698 57.345 0.133 0.000 1.274 409 W CB -0.482 29.079 29.460 0.169 0.000 1.148 409 W HN 0.139 nan 8.180 nan 0.000 0.498 410 L N 1.750 123.106 121.223 0.222 0.000 1.976 410 L HA -0.193 4.137 4.340 -0.017 0.000 0.209 410 L C 2.720 179.671 176.870 0.135 0.000 1.071 410 L CA 2.756 57.655 54.840 0.099 0.000 0.746 410 L CB -1.652 40.312 42.059 -0.158 0.000 0.890 410 L HN 0.125 nan 8.230 nan 0.000 0.432 411 S N -0.279 115.478 115.700 0.095 0.000 2.603 411 S HA 0.108 4.568 4.470 -0.017 0.000 0.229 411 S C 1.182 175.932 174.600 0.250 0.000 0.972 411 S CA 0.541 58.861 58.200 0.201 0.000 0.935 411 S CB -0.611 62.715 63.200 0.211 0.000 0.769 411 S HN 0.648 nan 8.310 nan 0.000 0.536 412 A N 0.174 123.104 122.820 0.183 0.000 2.791 412 A HA -0.190 4.120 4.320 -0.017 0.000 0.292 412 A C 1.530 179.182 177.584 0.114 0.000 1.487 412 A CA 0.871 52.996 52.037 0.147 0.000 0.760 412 A CB -2.548 16.613 19.000 0.268 0.000 1.031 412 A HN 0.565 nan 8.150 nan 0.000 0.503 413 S N -1.224 114.463 115.700 -0.022 0.000 2.404 413 S HA 0.491 4.951 4.470 -0.017 0.000 0.223 413 S C 1.028 175.504 174.600 -0.206 0.000 1.040 413 S CA 1.214 59.374 58.200 -0.067 0.000 0.957 413 S CB 0.164 63.255 63.200 -0.182 0.000 0.826 413 S HN 2.093 nan 8.310 nan 0.000 0.491 414 A N -0.733 121.855 122.820 -0.386 0.000 2.587 414 A HA 0.688 4.998 4.320 -0.017 0.000 0.293 414 A C -0.120 177.088 177.584 -0.627 0.000 1.087 414 A CA -0.696 50.946 52.037 -0.658 0.000 0.692 414 A CB 0.323 18.648 19.000 -1.125 0.000 1.291 414 A HN 0.171 nan 8.150 nan 0.000 0.407 415 F N -1.614 118.293 119.950 -0.071 0.000 2.565 415 F HA -0.280 4.237 4.527 -0.017 0.000 0.684 415 F C 0.269 175.773 175.800 -0.495 0.000 0.487 415 F CA 1.925 59.923 58.000 -0.004 0.000 0.725 415 F CB -1.696 37.570 39.000 0.444 0.000 1.613 415 F HN 0.706 nan 8.300 nan 0.000 0.264 416 F N 2.076 121.441 119.950 -0.976 0.000 2.399 416 F HA 0.541 5.058 4.527 -0.016 0.000 0.334 416 F C 1.143 176.458 175.800 -0.808 0.000 1.097 416 F CA -0.640 56.684 58.000 -1.127 0.000 1.076 416 F CB 0.653 38.579 39.000 -1.791 0.000 1.162 416 F HN 0.140 nan 8.300 nan 0.000 0.495 417 H N 2.728 121.255 119.070 -0.905 0.000 3.771 417 H HA 0.105 4.651 4.556 -0.016 0.000 0.260 417 H C -0.100 174.939 175.328 -0.483 0.000 1.158 417 H CA 0.051 55.877 56.048 -0.370 0.000 1.170 417 H CB 0.513 30.233 29.762 -0.071 0.000 1.539 417 H HN 0.593 nan 8.280 nan 0.000 0.634 418 Q N 2.186 121.406 119.800 -0.965 0.000 3.159 418 Q HA 0.019 4.349 4.340 -0.017 0.000 0.280 418 Q C 0.471 176.311 176.000 -0.267 0.000 1.403 418 Q CA -0.225 55.267 55.803 -0.519 0.000 0.957 418 Q CB -0.338 28.221 28.738 -0.300 0.000 1.729 418 Q HN 0.602 nan 8.270 nan 0.000 0.551 419 Y N -1.747 118.499 120.300 -0.089 0.000 2.569 419 Y HA -0.208 4.332 4.550 -0.017 0.000 0.293 419 Y C 1.462 177.429 175.900 0.110 0.000 1.144 419 Y CA 0.346 58.461 58.100 0.025 0.000 1.321 419 Y CB -0.625 37.781 38.460 -0.090 0.000 0.982 419 Y HN 0.478 nan 8.280 nan 0.000 0.558 420 F N 1.202 121.011 119.950 -0.235 0.000 2.604 420 F HA 0.246 4.763 4.527 -0.016 0.000 0.298 420 F C 0.723 176.526 175.800 0.004 0.000 1.131 420 F CA -0.374 57.583 58.000 -0.072 0.000 1.457 420 F CB -0.186 38.700 39.000 -0.190 0.000 1.095 420 F HN -0.213 nan 8.300 nan 0.000 0.574 421 R N 2.133 122.310 120.500 -0.538 0.000 2.272 421 R HA 0.391 4.721 4.340 -0.017 0.000 0.334 421 R C -1.241 174.936 176.300 -0.205 0.000 1.117 421 R CA -0.328 55.485 56.100 -0.479 0.000 0.966 421 R CB 1.148 31.265 30.300 -0.306 0.000 1.049 421 R HN 0.103 nan 8.270 nan 0.000 0.477 422 V N 4.855 124.647 119.914 -0.203 0.000 2.448 422 V HA 0.204 4.314 4.120 -0.017 0.000 0.295 422 V C -0.467 175.531 176.094 -0.160 0.000 1.025 422 V CA -0.984 61.277 62.300 -0.065 0.000 0.859 422 V CB 1.303 33.164 31.823 0.064 0.000 0.988 422 V HN 0.570 nan 8.190 nan 0.000 0.431 423 Y N 2.437 122.668 120.300 -0.115 0.000 2.544 423 Y HA 0.145 4.685 4.550 -0.017 0.000 0.330 423 Y C 1.197 177.028 175.900 -0.114 0.000 1.136 423 Y CA 0.626 58.602 58.100 -0.208 0.000 1.417 423 Y CB 0.905 39.156 38.460 -0.349 0.000 1.229 423 Y HN 0.639 nan 8.280 nan 0.000 0.532 424 S N 6.284 121.995 115.700 0.017 0.000 2.474 424 S HA 0.169 4.629 4.470 -0.017 0.000 0.276 424 S C -1.382 173.195 174.600 -0.037 0.000 1.227 424 S CA -1.566 56.581 58.200 -0.090 0.000 1.050 424 S CB 0.674 63.889 63.200 0.024 0.000 0.939 424 S HN 0.496 nan 8.310 nan 0.000 0.490 425 P HA -0.044 nan 4.420 nan 0.000 0.228 425 P C 1.081 178.541 177.300 0.267 0.000 1.151 425 P CA 0.621 63.799 63.100 0.130 0.000 0.770 425 P CB 0.045 31.666 31.700 -0.132 0.000 0.786 426 V N -0.320 119.695 119.914 0.169 0.000 2.581 426 V HA 0.126 4.236 4.120 -0.017 0.000 0.240 426 V C 2.636 178.650 176.094 -0.132 0.000 1.054 426 V CA 1.541 63.944 62.300 0.172 0.000 1.076 426 V CB -1.249 30.741 31.823 0.278 0.000 0.748 426 V HN 0.048 nan 8.190 nan 0.000 0.474 427 A N -0.442 122.313 122.820 -0.108 0.000 1.911 427 A HA -0.008 4.302 4.320 -0.017 0.000 0.212 427 A C 2.022 179.453 177.584 -0.255 0.000 1.189 427 A CA 0.957 52.882 52.037 -0.187 0.000 0.639 427 A CB -0.629 18.333 19.000 -0.063 0.000 0.839 427 A HN 0.395 nan 8.150 nan 0.000 0.449 428 F N 1.678 121.435 119.950 -0.322 0.000 2.115 428 F HA -0.171 4.346 4.527 -0.016 0.000 0.300 428 F C 2.235 177.745 175.800 -0.482 0.000 1.092 428 F CA 1.566 59.390 58.000 -0.294 0.000 1.245 428 F CB -0.660 38.283 39.000 -0.095 0.000 0.995 428 F HN 0.198 nan 8.300 nan 0.000 0.481 429 G N -0.561 107.661 108.800 -0.963 0.000 2.421 429 G HA2 -0.194 3.756 3.960 -0.017 0.000 0.217 429 G HA3 -0.194 3.756 3.960 -0.017 0.000 0.217 429 G C 1.746 176.286 174.900 -0.600 0.000 1.143 429 G CA 0.483 44.998 45.100 -0.974 0.000 0.784 429 G HN 0.329 nan 8.290 nan 0.000 0.541 430 K N 0.646 120.556 120.400 -0.817 0.000 2.103 430 K HA -0.082 4.228 4.320 -0.017 0.000 0.207 430 K C 2.508 178.902 176.600 -0.343 0.000 1.048 430 K CA 1.221 57.111 56.287 -0.661 0.000 0.930 430 K CB -0.111 31.992 32.500 -0.663 0.000 0.716 430 K HN 0.255 nan 8.250 nan 0.000 0.444 431 K N 0.125 120.323 120.400 -0.338 0.000 2.001 431 K HA -0.167 4.143 4.320 -0.017 0.000 0.214 431 K C 2.301 178.785 176.600 -0.193 0.000 1.050 431 K CA 2.245 58.388 56.287 -0.241 0.000 0.934 431 K CB -0.501 31.845 32.500 -0.257 0.000 0.718 431 K HN 0.316 nan 8.250 nan 0.000 0.443 432 T N -1.492 112.924 114.554 -0.229 0.000 3.043 432 T HA -0.048 4.292 4.350 -0.017 0.000 0.263 432 T C 0.586 175.240 174.700 -0.078 0.000 1.094 432 T CA 0.675 62.681 62.100 -0.156 0.000 1.127 432 T CB 0.116 68.861 68.868 -0.204 0.000 0.905 432 T HN 0.004 nan 8.240 nan 0.000 0.490 433 D N 1.992 122.354 120.400 -0.063 0.000 2.443 433 D HA 0.299 4.929 4.640 -0.017 0.000 0.281 433 D C -1.926 174.402 176.300 0.047 0.000 1.210 433 D CA -2.464 51.558 54.000 0.036 0.000 0.875 433 D CB 1.448 42.322 40.800 0.123 0.000 1.125 433 D HN 0.003 nan 8.370 nan 0.000 0.503 434 P HA -0.125 nan 4.420 nan 0.000 0.222 434 P C 0.947 178.243 177.300 -0.008 0.000 1.147 434 P CA 0.847 63.929 63.100 -0.029 0.000 0.790 434 P CB 0.581 32.251 31.700 -0.050 0.000 0.780 435 Q N -1.336 118.395 119.800 -0.116 0.000 2.402 435 Q HA 0.170 4.500 4.340 -0.017 0.000 0.206 435 Q C 1.525 177.345 176.000 -0.300 0.000 0.919 435 Q CA 0.869 56.500 55.803 -0.288 0.000 0.923 435 Q CB -0.331 28.027 28.738 -0.633 0.000 1.048 435 Q HN 0.322 nan 8.270 nan 0.000 0.515 436 G N 1.507 110.217 108.800 -0.149 0.000 2.176 436 G HA2 -0.292 3.658 3.960 -0.017 0.000 0.252 436 G HA3 -0.292 3.658 3.960 -0.017 0.000 0.252 436 G C 0.564 175.416 174.900 -0.080 0.000 1.024 436 G CA 0.556 45.571 45.100 -0.140 0.000 0.755 436 G HN 0.368 nan 8.290 nan 0.000 0.507 437 H N -1.578 117.531 119.070 0.065 0.000 2.394 437 H HA -0.175 4.372 4.556 -0.014 0.000 0.297 437 H C 2.019 177.401 175.328 0.090 0.000 1.113 437 H CA 1.821 57.902 56.048 0.054 0.000 1.277 437 H CB -0.234 29.567 29.762 0.066 0.000 1.370 437 H HN 0.686 nan 8.280 nan 0.000 0.506 438 Y N 0.971 121.366 120.300 0.158 0.000 2.200 438 Y HA -0.142 4.397 4.550 -0.017 0.000 0.290 438 Y C 2.541 178.532 175.900 0.151 0.000 1.137 438 Y CA 1.113 59.326 58.100 0.189 0.000 1.163 438 Y CB -0.421 38.164 38.460 0.208 0.000 0.988 438 Y HN 0.021 nan 8.280 nan 0.000 0.518 439 I N -0.239 120.402 120.570 0.117 0.000 2.252 439 I HA -0.295 3.865 4.170 -0.017 0.000 0.245 439 I C 2.374 178.427 176.117 -0.106 0.000 1.102 439 I CA 1.334 62.607 61.300 -0.045 0.000 1.385 439 I CB -0.406 37.480 38.000 -0.190 0.000 1.064 439 I HN 0.108 nan 8.210 nan 0.000 0.414 440 R N 0.726 121.172 120.500 -0.090 0.000 2.127 440 R HA -0.211 4.119 4.340 -0.017 0.000 0.238 440 R C 2.292 178.513 176.300 -0.132 0.000 1.134 440 R CA 1.361 57.406 56.100 -0.092 0.000 0.975 440 R CB -0.309 29.969 30.300 -0.037 0.000 0.865 440 R HN 0.342 nan 8.270 nan 0.000 0.447 441 K N -0.047 120.238 120.400 -0.193 0.000 2.007 441 K HA -0.132 4.178 4.320 -0.017 0.000 0.206 441 K C 1.410 177.714 176.600 -0.492 0.000 1.047 441 K CA 1.396 57.447 56.287 -0.393 0.000 0.937 441 K CB 0.036 32.187 32.500 -0.582 0.000 0.718 441 K HN 0.120 nan 8.250 nan 0.000 0.438 442 Y N -0.399 119.755 120.300 -0.243 0.000 2.503 442 Y HA 0.113 4.654 4.550 -0.015 0.000 0.278 442 Y C 0.453 176.261 175.900 -0.153 0.000 1.111 442 Y CA -0.027 57.934 58.100 -0.231 0.000 1.270 442 Y CB 0.937 39.177 38.460 -0.368 0.000 1.063 442 Y HN -0.225 nan 8.280 nan 0.000 0.548 443 V N 3.484 123.379 119.914 -0.031 0.000 2.233 443 V HA 0.173 4.283 4.120 -0.017 0.000 0.261 443 V C -1.815 174.225 176.094 -0.091 0.000 1.076 443 V CA -1.194 61.080 62.300 -0.043 0.000 1.001 443 V CB 0.731 32.510 31.823 -0.074 0.000 1.206 443 V HN 0.061 nan 8.190 nan 0.000 0.468 444 P HA -0.059 nan 4.420 nan 0.000 0.230 444 P C 1.044 178.318 177.300 -0.043 0.000 1.158 444 P CA 0.708 63.768 63.100 -0.067 0.000 0.769 444 P CB 0.637 32.302 31.700 -0.059 0.000 0.807 445 E N 0.532 120.712 120.200 -0.034 0.000 2.118 445 E HA -0.121 4.219 4.350 -0.017 0.000 0.195 445 E C 1.429 178.018 176.600 -0.020 0.000 0.992 445 E CA 1.081 57.478 56.400 -0.005 0.000 0.804 445 E CB -0.774 28.946 29.700 0.034 0.000 0.741 445 E HN 0.333 nan 8.360 nan 0.000 0.458 446 L N 0.629 121.768 121.223 -0.140 0.000 2.872 446 L HA 0.188 4.518 4.340 -0.017 0.000 0.245 446 L C 1.398 178.252 176.870 -0.026 0.000 1.211 446 L CA -0.061 54.684 54.840 -0.159 0.000 1.013 446 L CB 0.117 41.792 42.059 -0.640 0.000 1.326 446 L HN 0.077 nan 8.230 nan 0.000 0.525 447 S N -1.041 114.650 115.700 -0.015 0.000 2.515 447 S HA -0.041 4.419 4.470 -0.017 0.000 0.231 447 S C 1.680 176.276 174.600 -0.007 0.000 0.987 447 S CA 0.415 58.599 58.200 -0.027 0.000 0.936 447 S CB -0.066 63.114 63.200 -0.034 0.000 0.766 447 S HN 0.328 nan 8.310 nan 0.000 0.528 448 K N 0.180 120.600 120.400 0.033 0.000 2.379 448 K HA 0.200 4.510 4.320 -0.017 0.000 0.194 448 K C -0.434 176.028 176.600 -0.231 0.000 1.031 448 K CA -0.064 56.205 56.287 -0.030 0.000 1.037 448 K CB -0.265 32.257 32.500 0.037 0.000 0.824 448 K HN 0.454 nan 8.250 nan 0.000 0.516 449 Y N 2.587 122.640 120.300 -0.411 0.000 2.610 449 Y HA 0.019 4.558 4.550 -0.018 0.000 0.332 449 Y C -1.797 173.799 175.900 -0.507 0.000 1.201 449 Y CA -1.874 55.798 58.100 -0.713 0.000 1.465 449 Y CB -0.236 37.941 38.460 -0.471 0.000 1.283 449 Y HN 0.023 nan 8.280 nan 0.000 0.563 450 P HA 0.065 nan 4.420 nan 0.000 0.272 450 P C -0.104 177.126 177.300 -0.117 0.000 1.240 450 P CA 0.060 63.032 63.100 -0.213 0.000 0.791 450 P CB 0.805 32.398 31.700 -0.177 0.000 0.978 451 A N 1.774 124.547 122.820 -0.078 0.000 2.125 451 A HA -0.058 4.252 4.320 -0.017 0.000 0.219 451 A C 2.189 179.775 177.584 0.003 0.000 1.156 451 A CA 1.913 53.929 52.037 -0.034 0.000 0.671 451 A CB -1.683 17.295 19.000 -0.037 0.000 0.794 451 A HN 0.661 nan 8.150 nan 0.000 0.459 452 G N -0.969 107.819 108.800 -0.020 0.000 2.448 452 G HA2 -0.102 3.848 3.960 -0.017 0.000 0.218 452 G HA3 -0.102 3.848 3.960 -0.017 0.000 0.218 452 G C 1.033 175.926 174.900 -0.012 0.000 1.135 452 G CA 1.518 46.611 45.100 -0.011 0.000 0.784 452 G HN 1.143 nan 8.290 nan 0.000 0.543 453 C N -1.985 117.306 119.300 -0.016 0.000 3.692 453 C HA 0.520 4.970 4.460 -0.017 0.000 0.277 453 C C 1.744 176.686 174.990 -0.080 0.000 2.095 453 C CA -0.951 58.039 59.018 -0.045 0.000 1.666 453 C CB -1.145 26.593 27.740 -0.003 0.000 3.354 453 C HN 0.223 nan 8.230 nan 0.000 0.474 454 I N 0.075 120.594 120.570 -0.085 0.000 2.546 454 I HA -0.053 4.107 4.170 -0.017 0.000 0.255 454 I C 1.998 177.921 176.117 -0.323 0.000 1.163 454 I CA 1.453 62.608 61.300 -0.241 0.000 1.457 454 I CB 0.087 37.949 38.000 -0.229 0.000 1.092 454 I HN 0.425 nan 8.210 nan 0.000 0.434 455 Y N 1.509 121.699 120.300 -0.185 0.000 2.475 455 Y HA -0.002 4.538 4.550 -0.017 0.000 0.289 455 Y C 0.699 176.443 175.900 -0.259 0.000 1.121 455 Y CA 0.396 58.418 58.100 -0.130 0.000 1.257 455 Y CB 0.288 38.695 38.460 -0.087 0.000 1.026 455 Y HN 0.295 nan 8.280 nan 0.000 0.555 456 E N -1.058 118.917 120.200 -0.375 0.000 3.117 456 E HA 0.238 4.578 4.350 -0.017 0.000 0.262 456 E C -2.756 173.255 176.600 -0.982 0.000 1.202 456 E CA -1.830 53.885 56.400 -1.141 0.000 0.853 456 E CB 1.269 30.373 29.700 -0.992 0.000 1.426 456 E HN 0.076 nan 8.360 nan 0.000 0.387 457 P HA -0.123 nan 4.420 nan 0.000 0.221 457 P C 0.834 178.130 177.300 -0.007 0.000 1.150 457 P CA 0.732 63.684 63.100 -0.245 0.000 0.800 457 P CB -0.269 31.274 31.700 -0.261 0.000 0.787 458 W N 0.140 121.505 121.300 0.108 0.000 2.747 458 W HA 0.117 4.767 4.660 -0.016 0.000 0.244 458 W C 1.465 178.060 176.519 0.126 0.000 1.270 458 W CA 0.376 57.797 57.345 0.127 0.000 1.333 458 W CB -1.219 28.295 29.460 0.090 0.000 1.139 458 W HN -0.091 nan 8.180 nan 0.000 0.662 459 K N 0.628 120.952 120.400 -0.126 0.000 2.379 459 K HA 0.299 4.609 4.320 -0.017 0.000 0.194 459 K C 0.695 177.335 176.600 0.067 0.000 1.031 459 K CA 0.381 56.648 56.287 -0.033 0.000 1.037 459 K CB -0.040 32.357 32.500 -0.171 0.000 0.824 459 K HN 0.102 nan 8.250 nan 0.000 0.516 460 A N 0.926 123.820 122.820 0.123 0.000 2.303 460 A HA 0.397 4.707 4.320 -0.017 0.000 0.317 460 A C 0.034 177.700 177.584 0.137 0.000 1.149 460 A CA -0.647 51.486 52.037 0.160 0.000 0.822 460 A CB 0.854 20.026 19.000 0.287 0.000 1.131 460 A HN 0.313 nan 8.150 nan 0.000 0.493 461 S N 1.155 116.900 115.700 0.075 0.000 2.596 461 S HA 0.185 4.645 4.470 -0.017 0.000 0.260 461 S C 1.068 175.686 174.600 0.030 0.000 1.336 461 S CA 0.147 58.376 58.200 0.047 0.000 0.993 461 S CB 0.279 63.484 63.200 0.010 0.000 0.923 461 S HN 1.124 nan 8.310 nan 0.000 0.567 462 L N 1.727 122.969 121.223 0.032 0.000 2.027 462 L HA -0.056 4.274 4.340 -0.017 0.000 0.206 462 L C 2.422 179.270 176.870 -0.037 0.000 1.074 462 L CA 2.059 56.914 54.840 0.025 0.000 0.745 462 L CB -0.944 41.138 42.059 0.038 0.000 0.898 462 L HN 0.781 nan 8.230 nan 0.000 0.433 463 V N -2.753 117.125 119.914 -0.060 0.000 2.287 463 V HA -0.288 3.822 4.120 -0.017 0.000 0.248 463 V C 2.246 178.208 176.094 -0.221 0.000 1.053 463 V CA 2.040 64.276 62.300 -0.107 0.000 1.027 463 V CB -1.366 30.406 31.823 -0.085 0.000 0.646 463 V HN 0.373 nan 8.190 nan 0.000 0.447 464 D N 0.068 120.302 120.400 -0.277 0.000 2.104 464 D HA -0.190 4.440 4.640 -0.017 0.000 0.194 464 D C 2.413 178.228 176.300 -0.810 0.000 0.994 464 D CA 1.920 55.551 54.000 -0.615 0.000 0.830 464 D CB -0.405 40.150 40.800 -0.408 0.000 0.959 464 D HN 0.632 nan 8.370 nan 0.000 0.452 465 Q N 0.035 119.649 119.800 -0.311 0.000 2.077 465 Q HA -0.175 4.155 4.340 -0.017 0.000 0.206 465 Q C 2.337 178.256 176.000 -0.134 0.000 0.989 465 Q CA 1.364 57.109 55.803 -0.097 0.000 0.853 465 Q CB -0.058 28.737 28.738 0.095 0.000 0.907 465 Q HN 0.275 nan 8.270 nan 0.000 0.418 466 R N -0.092 120.321 120.500 -0.144 0.000 2.081 466 R HA -0.090 4.240 4.340 -0.017 0.000 0.235 466 R C 2.267 178.474 176.300 -0.155 0.000 1.131 466 R CA 1.136 57.175 56.100 -0.102 0.000 0.960 466 R CB -0.366 29.887 30.300 -0.078 0.000 0.856 466 R HN 0.212 nan 8.270 nan 0.000 0.436 467 A N 0.328 122.967 122.820 -0.302 0.000 2.019 467 A HA -0.140 4.170 4.320 -0.017 0.000 0.219 467 A C 1.134 178.588 177.584 -0.216 0.000 1.164 467 A CA 1.100 52.953 52.037 -0.305 0.000 0.644 467 A CB -0.334 18.410 19.000 -0.427 0.000 0.805 467 A HN 0.314 nan 8.150 nan 0.000 0.449 468 Y N -1.003 119.175 120.300 -0.204 0.000 2.466 468 Y HA 0.368 4.908 4.550 -0.017 0.000 0.272 468 Y C 1.880 177.723 175.900 -0.095 0.000 1.169 468 Y CA -0.517 57.428 58.100 -0.257 0.000 1.285 468 Y CB -0.727 37.302 38.460 -0.719 0.000 1.078 468 Y HN 0.399 nan 8.280 nan 0.000 0.523 469 G N -0.256 108.578 108.800 0.056 0.000 2.155 469 G HA2 -0.310 3.640 3.960 -0.017 0.000 0.257 469 G HA3 -0.310 3.640 3.960 -0.017 0.000 0.257 469 G C -0.057 174.911 174.900 0.114 0.000 0.983 469 G CA 0.247 45.388 45.100 0.067 0.000 0.676 469 G HN 0.434 nan 8.290 nan 0.000 0.528 470 C N 0.822 120.231 119.300 0.181 0.000 2.654 470 C HA 0.626 5.076 4.460 -0.017 0.000 0.315 470 C C 0.429 175.565 174.990 0.245 0.000 1.054 470 C CA -0.440 58.720 59.018 0.236 0.000 1.419 470 C CB 0.375 28.321 27.740 0.342 0.000 1.889 470 C HN 0.863 nan 8.230 nan 0.000 0.447 471 V N 8.186 128.194 119.914 0.156 0.000 2.432 471 V HA 0.424 4.534 4.120 -0.017 0.000 0.271 471 V C 0.166 176.339 176.094 0.132 0.000 1.046 471 V CA -0.099 62.285 62.300 0.140 0.000 0.945 471 V CB 0.962 32.839 31.823 0.090 0.000 0.992 471 V HN 0.792 nan 8.190 nan 0.000 0.471 472 L N 7.370 128.687 121.223 0.155 0.000 2.490 472 L HA 0.418 4.748 4.340 -0.017 0.000 0.274 472 L C 1.554 178.311 176.870 -0.188 0.000 1.201 472 L CA 1.092 55.966 54.840 0.056 0.000 0.869 472 L CB 0.374 42.540 42.059 0.179 0.000 1.123 472 L HN 1.009 nan 8.230 nan 0.000 0.484 473 G N 1.692 110.207 108.800 -0.475 0.000 2.234 473 G HA2 -0.278 3.672 3.960 -0.017 0.000 0.235 473 G HA3 -0.278 3.672 3.960 -0.017 0.000 0.235 473 G C 0.676 175.503 174.900 -0.121 0.000 0.997 473 G CA 0.443 45.260 45.100 -0.472 0.000 0.623 473 G HN 0.631 nan 8.290 nan 0.000 0.514 474 T N -0.185 114.340 114.554 -0.048 0.000 3.238 474 T HA 0.185 4.525 4.350 -0.017 0.000 0.242 474 T C 1.513 176.228 174.700 0.024 0.000 0.980 474 T CA 1.035 63.138 62.100 0.006 0.000 1.235 474 T CB -0.060 68.828 68.868 0.032 0.000 1.069 474 T HN 0.121 nan 8.240 nan 0.000 0.407 475 D N -0.087 120.350 120.400 0.061 0.000 2.249 475 D HA 0.120 4.750 4.640 -0.017 0.000 0.205 475 D C -0.153 176.243 176.300 0.159 0.000 0.962 475 D CA 0.808 54.866 54.000 0.096 0.000 0.860 475 D CB 0.418 41.285 40.800 0.112 0.000 0.955 475 D HN 0.337 nan 8.370 nan 0.000 0.505 476 Y N -0.130 120.154 120.300 -0.026 0.000 2.442 476 Y HA 0.307 4.847 4.550 -0.016 0.000 0.330 476 Y C -2.689 173.163 175.900 -0.080 0.000 1.100 476 Y CA -2.368 55.710 58.100 -0.037 0.000 1.034 476 Y CB 1.932 40.369 38.460 -0.038 0.000 1.285 476 Y HN -0.264 nan 8.280 nan 0.000 0.440 477 P HA 0.050 nan 4.420 nan 0.000 0.268 477 P C -0.819 176.297 177.300 -0.308 0.000 1.208 477 P CA 0.436 63.297 63.100 -0.398 0.000 0.777 477 P CB 0.425 31.908 31.700 -0.361 0.000 0.875 478 H N 1.481 120.532 119.070 -0.032 0.000 2.732 478 H HA 0.078 4.624 4.556 -0.016 0.000 0.351 478 H C 0.783 176.084 175.328 -0.045 0.000 1.090 478 H CA 0.001 56.056 56.048 0.012 0.000 1.431 478 H CB 0.392 30.171 29.762 0.029 0.000 1.447 478 H HN 0.426 nan 8.280 nan 0.000 0.582 479 R N 2.798 123.309 120.500 0.018 0.000 2.502 479 R HA 0.025 4.355 4.340 -0.017 0.000 0.292 479 R C 1.288 177.585 176.300 -0.005 0.000 0.998 479 R CA -0.016 55.993 56.100 -0.151 0.000 1.056 479 R CB -0.134 29.716 30.300 -0.749 0.000 0.939 479 R HN 0.716 nan 8.270 nan 0.000 0.411 480 I N 0.777 121.413 120.570 0.110 0.000 2.493 480 I HA -0.092 4.068 4.170 -0.017 0.000 0.254 480 I C 0.564 176.703 176.117 0.037 0.000 1.160 480 I CA 0.336 61.703 61.300 0.112 0.000 1.445 480 I CB -0.258 37.793 38.000 0.085 0.000 1.086 480 I HN 0.470 nan 8.210 nan 0.000 0.433 481 V N -1.785 118.176 119.914 0.079 0.000 3.160 481 V HA 0.524 4.634 4.120 -0.017 0.000 0.310 481 V C -0.772 175.403 176.094 0.134 0.000 1.181 481 V CA -1.163 61.168 62.300 0.051 0.000 1.047 481 V CB 1.864 33.647 31.823 -0.067 0.000 1.068 481 V HN 0.069 nan 8.190 nan 0.000 0.441 482 K N 0.888 121.337 120.400 0.081 0.000 2.347 482 K HA 0.317 4.627 4.320 -0.017 0.000 0.262 482 K C 0.524 177.238 176.600 0.190 0.000 1.052 482 K CA -0.507 55.840 56.287 0.100 0.000 0.946 482 K CB 0.785 33.294 32.500 0.015 0.000 1.220 482 K HN 0.974 nan 8.250 nan 0.000 0.450 483 H N 3.640 122.863 119.070 0.255 0.000 2.319 483 H HA -0.199 4.347 4.556 -0.016 0.000 0.297 483 H C 1.736 177.255 175.328 0.319 0.000 1.097 483 H CA 2.499 58.685 56.048 0.230 0.000 1.285 483 H CB 0.492 30.402 29.762 0.246 0.000 1.368 483 H HN 0.645 nan 8.280 nan 0.000 0.495 484 E N 0.275 120.613 120.200 0.230 0.000 2.396 484 E HA -0.103 4.237 4.350 -0.017 0.000 0.200 484 E C 1.794 178.407 176.600 0.022 0.000 1.023 484 E CA 1.248 57.747 56.400 0.166 0.000 0.857 484 E CB -0.368 29.457 29.700 0.208 0.000 0.775 484 E HN 0.491 nan 8.360 nan 0.000 0.525 485 V N 0.999 120.909 119.914 -0.007 0.000 2.743 485 V HA -0.105 4.005 4.120 -0.017 0.000 0.237 485 V C 2.552 178.562 176.094 -0.140 0.000 1.113 485 V CA 0.955 63.211 62.300 -0.073 0.000 1.141 485 V CB 0.467 32.273 31.823 -0.028 0.000 0.873 485 V HN 0.290 nan 8.190 nan 0.000 0.486 486 V N 0.244 120.105 119.914 -0.088 0.000 2.427 486 V HA -0.238 3.872 4.120 -0.017 0.000 0.248 486 V C 2.509 178.529 176.094 -0.125 0.000 1.051 486 V CA 2.339 64.581 62.300 -0.098 0.000 1.048 486 V CB -1.439 30.350 31.823 -0.056 0.000 0.666 486 V HN 0.826 nan 8.190 nan 0.000 0.456 487 H N 1.327 120.292 119.070 -0.174 0.000 2.423 487 H HA -0.059 4.487 4.556 -0.016 0.000 0.297 487 H C 1.942 177.219 175.328 -0.086 0.000 1.075 487 H CA 1.840 57.805 56.048 -0.138 0.000 1.342 487 H CB -0.230 29.372 29.762 -0.267 0.000 1.395 487 H HN 0.440 nan 8.280 nan 0.000 0.530 488 K N 0.225 120.209 120.400 -0.693 0.000 2.103 488 K HA -0.107 4.203 4.320 -0.017 0.000 0.204 488 K C 2.255 178.716 176.600 -0.233 0.000 1.052 488 K CA 1.148 57.168 56.287 -0.444 0.000 0.945 488 K CB 0.189 32.414 32.500 -0.459 0.000 0.722 488 K HN 0.172 nan 8.250 nan 0.000 0.443 489 E N 1.536 121.597 120.200 -0.232 0.000 2.106 489 E HA -0.147 4.193 4.350 -0.017 0.000 0.192 489 E C 1.388 177.821 176.600 -0.278 0.000 0.984 489 E CA 1.419 57.687 56.400 -0.220 0.000 0.806 489 E CB -0.078 29.497 29.700 -0.208 0.000 0.750 489 E HN 0.162 nan 8.360 nan 0.000 0.458 490 N N 0.086 118.634 118.700 -0.253 0.000 2.244 490 N HA -0.057 4.673 4.740 -0.017 0.000 0.183 490 N C 1.802 177.231 175.510 -0.135 0.000 1.016 490 N CA 0.902 53.779 53.050 -0.287 0.000 0.866 490 N CB -0.186 38.294 38.487 -0.013 0.000 0.980 490 N HN 0.267 nan 8.380 nan 0.000 0.430 491 I N 1.220 121.768 120.570 -0.036 0.000 2.208 491 I HA -0.283 3.877 4.170 -0.017 0.000 0.245 491 I C 1.959 178.046 176.117 -0.050 0.000 1.097 491 I CA 1.246 62.582 61.300 0.059 0.000 1.363 491 I CB -0.044 38.046 38.000 0.149 0.000 1.051 491 I HN 0.138 nan 8.210 nan 0.000 0.413 492 K N 0.304 120.642 120.400 -0.104 0.000 2.057 492 K HA -0.133 4.177 4.320 -0.017 0.000 0.206 492 K C 2.199 178.683 176.600 -0.194 0.000 1.050 492 K CA 1.072 57.285 56.287 -0.124 0.000 0.935 492 K CB -0.225 32.201 32.500 -0.124 0.000 0.715 492 K HN 0.286 nan 8.250 nan 0.000 0.439 493 R N 0.227 120.549 120.500 -0.295 0.000 2.127 493 R HA -0.068 4.262 4.340 -0.017 0.000 0.238 493 R C 2.337 178.529 176.300 -0.179 0.000 1.134 493 R CA 1.178 57.058 56.100 -0.367 0.000 0.975 493 R CB -0.155 29.589 30.300 -0.927 0.000 0.865 493 R HN 0.186 nan 8.270 nan 0.000 0.447 494 M N -0.743 118.723 119.600 -0.223 0.000 2.077 494 M HA -0.044 4.426 4.480 -0.017 0.000 0.261 494 M C 2.436 178.416 176.300 -0.532 0.000 1.070 494 M CA 1.691 56.741 55.300 -0.416 0.000 1.125 494 M CB -1.364 30.693 32.600 -0.904 0.000 1.339 494 M HN 0.266 nan 8.290 nan 0.000 0.409 495 G N -0.062 108.429 108.800 -0.515 0.000 2.440 495 G HA2 -0.121 3.829 3.960 -0.017 0.000 0.218 495 G HA3 -0.121 3.829 3.960 -0.017 0.000 0.218 495 G C 1.657 176.529 174.900 -0.048 0.000 1.154 495 G CA 1.405 46.383 45.100 -0.203 0.000 0.767 495 G HN 0.549 nan 8.290 nan 0.000 0.552 496 A N 1.177 123.953 122.820 -0.074 0.000 1.883 496 A HA 0.228 4.538 4.320 -0.017 0.000 0.217 496 A C 2.816 180.397 177.584 -0.005 0.000 1.186 496 A CA 2.415 54.429 52.037 -0.038 0.000 0.624 496 A CB -0.814 18.146 19.000 -0.066 0.000 0.822 496 A HN 0.845 nan 8.150 nan 0.000 0.444 497 A N -2.045 120.776 122.820 0.002 0.000 1.969 497 A HA 0.014 4.324 4.320 -0.017 0.000 0.218 497 A C 2.069 179.710 177.584 0.094 0.000 1.169 497 A CA 1.387 53.440 52.037 0.027 0.000 0.635 497 A CB -0.658 18.344 19.000 0.003 0.000 0.810 497 A HN 0.536 nan 8.150 nan 0.000 0.445 498 Y N 0.198 120.441 120.300 -0.094 0.000 2.163 498 Y HA -0.124 4.416 4.550 -0.017 0.000 0.288 498 Y C 2.380 178.263 175.900 -0.029 0.000 1.136 498 Y CA 1.644 59.716 58.100 -0.047 0.000 1.147 498 Y CB -0.374 38.078 38.460 -0.013 0.000 0.987 498 Y HN 0.261 nan 8.280 nan 0.000 0.509 499 K N -0.570 119.903 120.400 0.123 0.000 2.009 499 K HA -0.170 4.140 4.320 -0.017 0.000 0.210 499 K C 2.053 178.658 176.600 0.010 0.000 1.049 499 K CA 1.738 58.055 56.287 0.050 0.000 0.929 499 K CB -0.623 31.898 32.500 0.035 0.000 0.714 499 K HN 0.041 nan 8.250 nan 0.000 0.440 500 V N 2.315 122.231 119.914 0.003 0.000 2.317 500 V HA -0.343 3.767 4.120 -0.017 0.000 0.251 500 V C 1.962 178.037 176.094 -0.031 0.000 1.065 500 V CA 1.834 64.125 62.300 -0.016 0.000 1.049 500 V CB -0.522 31.290 31.823 -0.019 0.000 0.651 500 V HN 0.412 nan 8.190 nan 0.000 0.450 501 N N -0.242 118.429 118.700 -0.048 0.000 2.142 501 N HA -0.131 4.599 4.740 -0.017 0.000 0.186 501 N C 2.050 177.515 175.510 -0.074 0.000 1.023 501 N CA 1.284 54.287 53.050 -0.078 0.000 0.852 501 N CB -0.174 38.230 38.487 -0.139 0.000 0.998 501 N HN 0.489 nan 8.380 nan 0.000 0.424 502 R N 1.194 121.654 120.500 -0.067 0.000 2.115 502 R HA -0.038 4.292 4.340 -0.017 0.000 0.230 502 R C 1.440 177.718 176.300 -0.036 0.000 1.111 502 R CA 0.826 56.894 56.100 -0.053 0.000 0.976 502 R CB -0.083 30.193 30.300 -0.040 0.000 0.870 502 R HN 0.348 nan 8.270 nan 0.000 0.445 503 E N 0.154 120.337 120.200 -0.028 0.000 2.510 503 E HA -0.103 4.237 4.350 -0.017 0.000 0.202 503 E C 0.928 177.514 176.600 -0.024 0.000 1.072 503 E CA 0.589 56.976 56.400 -0.022 0.000 0.883 503 E CB 0.306 29.995 29.700 -0.018 0.000 0.818 503 E HN 0.191 nan 8.360 nan 0.000 0.548 504 V N -0.557 119.339 119.914 -0.030 0.000 3.612 504 V HA 0.167 4.277 4.120 -0.017 0.000 0.268 504 V C 0.814 176.891 176.094 -0.029 0.000 1.365 504 V CA -0.071 62.212 62.300 -0.028 0.000 1.044 504 V CB 0.240 32.044 31.823 -0.031 0.000 0.820 504 V HN 0.029 nan 8.190 nan 0.000 0.444 505 R N 0.000 120.479 120.500 -0.034 0.000 2.786 505 R HA 0.000 4.330 4.340 -0.017 0.000 0.208 505 R CA 0.000 56.079 56.100 -0.034 0.000 0.921 505 R CB 0.000 30.272 30.300 -0.047 0.000 0.687 505 R HN 0.000 nan 8.270 nan 0.000 0.535