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 2ij7_1_C DATA FIRST_RESID 6 DATA SEQUENCE LLEVPFSARG DRIPDAVAEL RTREPIRKVR TITGAEAWLV SSYALCTQVL DATA SEQUENCE EDRRFSMKET AAAGAPRLNA LTVPPEVVNN MGNIADAGLR KAVMKAITPK DATA SEQUENCE APGLEQFLRD TANSLLDNLI TEGAPADLRN DFADPLATAL HCKVLGIPQE DATA SEQUENCE DGPKLFRSLS IAFMSSADPI PAAKINWDRD IEYMAGILEN PNITTGLMGE DATA SEQUENCE LSRLRKDPAY SHVSDELFAT IGVTFFGAGV ISTGSFLTTA LISLIQRPQL DATA SEQUENCE RNLLHEKPEL IPAGVEELLR INLSFADGLP RLATADIQVG DVLVRKGELV DATA SEQUENCE LVLLEGANFD PEHFPNPGSI ELDRPNPTSH LAFGRGQHFC PGSALGRRHA DATA SEQUENCE QIGIEALLKK MPGVDLAVPI DQLVWRTRFQ RRIPERLPVL W VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 L HA 0.000 nan 4.340 nan 0.000 0.249 6 L C 0.000 176.884 176.870 0.023 0.000 1.165 6 L CA 0.000 54.837 54.840 -0.004 0.000 0.813 6 L CB 0.000 42.037 42.059 -0.037 0.000 0.961 7 L N 2.087 123.349 121.223 0.066 0.000 2.375 7 L HA 0.468 4.808 4.340 -0.000 0.000 0.271 7 L C 0.606 177.561 176.870 0.142 0.000 1.107 7 L CA -0.489 54.430 54.840 0.131 0.000 0.806 7 L CB 1.425 43.607 42.059 0.206 0.000 1.146 7 L HN 0.660 nan 8.230 nan 0.000 0.447 8 E N 1.750 122.030 120.200 0.134 0.000 2.283 8 E HA 0.389 4.739 4.350 -0.000 0.000 0.278 8 E C -1.043 175.542 176.600 -0.026 0.000 1.027 8 E CA -0.666 55.760 56.400 0.043 0.000 0.843 8 E CB 1.663 31.378 29.700 0.025 0.000 1.062 8 E HN 0.402 nan 8.360 nan 0.000 0.401 9 V N 1.961 121.748 119.914 -0.210 0.000 2.732 9 V HA 0.648 4.768 4.120 -0.000 0.000 0.310 9 V C -2.357 173.600 176.094 -0.227 0.000 1.053 9 V CA -2.141 59.892 62.300 -0.445 0.000 0.957 9 V CB 1.137 32.636 31.823 -0.540 0.000 1.018 9 V HN 0.643 nan 8.190 nan 0.000 0.452 10 P HA 0.360 nan 4.420 nan 0.000 0.276 10 P C 0.174 177.347 177.300 -0.212 0.000 1.244 10 P CA -0.243 62.672 63.100 -0.308 0.000 0.801 10 P CB 0.988 32.601 31.700 -0.144 0.000 1.006 11 F N -0.520 119.419 119.950 -0.019 0.000 2.187 11 F HA 0.009 4.536 4.527 -0.000 0.000 0.295 11 F C 1.639 177.416 175.800 -0.039 0.000 1.091 11 F CA 0.688 58.671 58.000 -0.028 0.000 1.308 11 F CB 0.077 39.057 39.000 -0.033 0.000 1.030 11 F HN 0.255 nan 8.300 nan 0.000 0.487 12 S N -0.622 115.148 115.700 0.116 0.000 2.614 12 S HA 0.643 5.113 4.470 -0.000 0.000 0.288 12 S C 0.221 174.796 174.600 -0.041 0.000 1.137 12 S CA -0.485 57.723 58.200 0.013 0.000 0.992 12 S CB 1.684 64.867 63.200 -0.028 0.000 1.026 12 S HN 0.153 nan 8.310 nan 0.000 0.486 13 A N 4.544 127.333 122.820 -0.052 0.000 2.238 13 A HA 0.276 4.596 4.320 -0.000 0.000 0.208 13 A C 0.880 178.315 177.584 -0.249 0.000 1.177 13 A CA 0.127 52.140 52.037 -0.040 0.000 0.804 13 A CB -0.103 18.943 19.000 0.078 0.000 0.823 13 A HN 0.778 nan 8.150 nan 0.000 0.482 14 R N -0.477 119.725 120.500 -0.497 0.000 2.347 14 R HA 0.328 4.668 4.340 -0.000 0.000 0.304 14 R C 0.961 176.693 176.300 -0.946 0.000 1.072 14 R CA 0.399 55.800 56.100 -1.165 0.000 0.980 14 R CB 0.717 30.509 30.300 -0.847 0.000 0.986 14 R HN 0.219 nan 8.270 nan 0.000 0.448 15 G N 1.666 109.600 108.800 -1.444 0.000 3.277 15 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.243 15 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.243 15 G C 0.576 175.320 174.900 -0.261 0.000 1.107 15 G CA -0.228 44.569 45.100 -0.505 0.000 0.771 15 G HN 0.692 nan 8.290 nan 0.000 0.544 16 D N 0.553 120.726 120.400 -0.379 0.000 2.277 16 D HA 0.038 4.678 4.640 -0.000 0.000 0.209 16 D C 0.838 177.112 176.300 -0.043 0.000 0.970 16 D CA 0.195 54.182 54.000 -0.023 0.000 0.874 16 D CB 0.212 41.109 40.800 0.162 0.000 0.982 16 D HN 0.293 nan 8.370 nan 0.000 0.504 17 R N 0.312 120.736 120.500 -0.126 0.000 2.621 17 R HA 0.556 4.896 4.340 -0.000 0.000 0.284 17 R C -0.801 175.405 176.300 -0.158 0.000 0.998 17 R CA -0.918 55.120 56.100 -0.104 0.000 0.895 17 R CB 0.694 30.945 30.300 -0.081 0.000 1.195 17 R HN 0.051 nan 8.270 nan 0.000 0.450 18 I N 3.227 123.675 120.570 -0.203 0.000 2.529 18 I HA 0.305 4.475 4.170 -0.000 0.000 0.284 18 I C -1.848 174.146 176.117 -0.204 0.000 1.082 18 I CA -1.993 59.142 61.300 -0.276 0.000 1.406 18 I CB 1.229 38.873 38.000 -0.594 0.000 1.405 18 I HN 0.570 nan 8.210 nan 0.000 0.548 19 P HA 0.135 nan 4.420 nan 0.000 0.271 19 P C -0.319 176.910 177.300 -0.120 0.000 1.216 19 P CA -0.199 62.831 63.100 -0.116 0.000 0.776 19 P CB 0.520 32.170 31.700 -0.084 0.000 0.881 20 D N 1.826 122.168 120.400 -0.098 0.000 2.265 20 D HA -0.154 4.486 4.640 -0.000 0.000 0.208 20 D C 1.845 178.097 176.300 -0.080 0.000 0.977 20 D CA 1.420 55.372 54.000 -0.081 0.000 0.871 20 D CB -0.501 40.262 40.800 -0.061 0.000 0.925 20 D HN 0.393 nan 8.370 nan 0.000 0.485 21 A N 0.609 123.368 122.820 -0.102 0.000 1.940 21 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 21 A C 2.495 180.024 177.584 -0.091 0.000 1.176 21 A CA 1.172 53.132 52.037 -0.129 0.000 0.631 21 A CB -0.683 18.181 19.000 -0.226 0.000 0.814 21 A HN 0.170 nan 8.150 nan 0.000 0.446 22 V N -0.159 119.717 119.914 -0.063 0.000 2.255 22 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 22 V C 3.061 179.156 176.094 0.002 0.000 1.051 22 V CA 2.130 64.423 62.300 -0.011 0.000 1.018 22 V CB -1.365 30.440 31.823 -0.029 0.000 0.641 22 V HN 0.629 nan 8.190 nan 0.000 0.445 23 A N -0.346 122.465 122.820 -0.014 0.000 1.902 23 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 23 A C 2.136 179.728 177.584 0.013 0.000 1.181 23 A CA 1.933 53.979 52.037 0.015 0.000 0.623 23 A CB -0.530 18.477 19.000 0.010 0.000 0.818 23 A HN 0.651 nan 8.150 nan 0.000 0.443 24 E N -0.704 119.490 120.200 -0.010 0.000 2.033 24 E HA -0.250 4.100 4.350 -0.000 0.000 0.199 24 E C 1.963 178.562 176.600 -0.001 0.000 1.011 24 E CA 1.508 57.900 56.400 -0.013 0.000 0.815 24 E CB -0.354 29.323 29.700 -0.037 0.000 0.755 24 E HN 0.497 nan 8.360 nan 0.000 0.451 25 L N 1.229 122.449 121.223 -0.004 0.000 2.056 25 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 25 L C 2.402 179.298 176.870 0.044 0.000 1.078 25 L CA 1.631 56.481 54.840 0.017 0.000 0.749 25 L CB -0.281 41.791 42.059 0.021 0.000 0.901 25 L HN -0.038 nan 8.230 nan 0.000 0.433 26 R N -1.278 119.253 120.500 0.052 0.000 2.091 26 R HA -0.174 4.166 4.340 -0.000 0.000 0.238 26 R C 1.966 178.298 176.300 0.052 0.000 1.136 26 R CA 2.129 58.267 56.100 0.063 0.000 0.959 26 R CB -0.388 29.960 30.300 0.080 0.000 0.856 26 R HN 0.417 nan 8.270 nan 0.000 0.437 27 T N 0.225 114.804 114.554 0.042 0.000 2.770 27 T HA -0.034 4.316 4.350 -0.000 0.000 0.263 27 T C 1.838 176.556 174.700 0.030 0.000 1.039 27 T CA 0.987 63.108 62.100 0.035 0.000 1.142 27 T CB -0.112 68.773 68.868 0.028 0.000 0.868 27 T HN 0.305 nan 8.240 nan 0.000 0.435 28 R N 0.783 121.299 120.500 0.026 0.000 2.070 28 R HA 0.068 4.408 4.340 -0.000 0.000 0.233 28 R C 1.059 177.380 176.300 0.034 0.000 1.137 28 R CA 1.083 57.198 56.100 0.025 0.000 0.945 28 R CB 0.111 30.423 30.300 0.019 0.000 0.845 28 R HN 0.332 nan 8.270 nan 0.000 0.430 29 E N -0.891 119.336 120.200 0.045 0.000 3.191 29 E HA 0.122 4.471 4.350 -0.000 0.000 0.303 29 E C -2.192 174.449 176.600 0.069 0.000 1.197 29 E CA -1.039 55.396 56.400 0.059 0.000 0.901 29 E CB 1.299 31.044 29.700 0.074 0.000 1.446 29 E HN 0.048 nan 8.360 nan 0.000 0.385 30 P HA -0.051 nan 4.420 nan 0.000 0.230 30 P C 0.462 177.790 177.300 0.048 0.000 1.158 30 P CA 0.682 63.813 63.100 0.051 0.000 0.769 30 P CB 0.565 32.287 31.700 0.037 0.000 0.807 31 I N 0.150 120.748 120.570 0.048 0.000 2.439 31 I HA 0.441 4.611 4.170 -0.000 0.000 0.285 31 I C -0.760 175.473 176.117 0.193 0.000 1.021 31 I CA -1.311 60.035 61.300 0.076 0.000 1.091 31 I CB 1.323 39.293 38.000 -0.050 0.000 1.242 31 I HN -0.183 nan 8.210 nan 0.000 0.439 32 R N 4.869 125.562 120.500 0.323 0.000 2.774 32 R HA 0.593 4.933 4.340 -0.000 0.000 0.272 32 R C -1.643 174.881 176.300 0.373 0.000 1.000 32 R CA -1.114 55.224 56.100 0.396 0.000 0.906 32 R CB 1.070 31.502 30.300 0.219 0.000 1.227 32 R HN 0.334 nan 8.270 nan 0.000 0.468 33 K N 1.343 121.833 120.400 0.150 0.000 2.276 33 K HA 0.426 4.746 4.320 -0.000 0.000 0.283 33 K C -0.609 175.914 176.600 -0.130 0.000 1.044 33 K CA -0.252 55.852 56.287 -0.305 0.000 0.944 33 K CB 1.197 33.373 32.500 -0.541 0.000 1.012 33 K HN 0.623 nan 8.250 nan 0.000 0.472 34 V N 0.735 120.551 119.914 -0.162 0.000 3.167 34 V HA 0.682 4.802 4.120 -0.000 0.000 0.310 34 V C -0.926 175.097 176.094 -0.119 0.000 1.207 34 V CA -1.222 61.033 62.300 -0.075 0.000 1.059 34 V CB 1.840 33.645 31.823 -0.030 0.000 1.079 34 V HN 0.783 nan 8.190 nan 0.000 0.446 35 R N 0.575 121.029 120.500 -0.076 0.000 2.589 35 R HA 0.703 5.043 4.340 -0.000 0.000 0.293 35 R C 0.023 176.275 176.300 -0.081 0.000 0.963 35 R CA 0.224 56.276 56.100 -0.081 0.000 0.905 35 R CB 1.936 32.203 30.300 -0.055 0.000 1.144 35 R HN 1.191 nan 8.270 nan 0.000 0.459 36 T N 0.293 114.798 114.554 -0.082 0.000 2.884 36 T HA 0.197 4.547 4.350 -0.000 0.000 0.277 36 T C 1.236 175.900 174.700 -0.060 0.000 0.976 36 T CA -0.680 61.372 62.100 -0.080 0.000 0.956 36 T CB 0.739 69.561 68.868 -0.076 0.000 1.113 36 T HN 0.533 nan 8.240 nan 0.000 0.554 37 I N 1.216 121.752 120.570 -0.056 0.000 2.756 37 I HA -0.041 4.129 4.170 -0.000 0.000 0.262 37 I C 2.476 178.572 176.117 -0.036 0.000 1.225 37 I CA 1.758 63.034 61.300 -0.040 0.000 1.472 37 I CB -0.258 37.721 38.000 -0.036 0.000 1.094 37 I HN 0.985 nan 8.210 nan 0.000 0.454 38 T N -3.258 111.272 114.554 -0.041 0.000 3.129 38 T HA 0.316 4.666 4.350 -0.000 0.000 0.251 38 T C 1.587 176.265 174.700 -0.037 0.000 1.117 38 T CA 0.388 62.466 62.100 -0.038 0.000 1.034 38 T CB 0.120 68.964 68.868 -0.041 0.000 0.968 38 T HN 0.470 nan 8.240 nan 0.000 0.526 39 G N 1.102 109.878 108.800 -0.040 0.000 2.195 39 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.246 39 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.246 39 G C 0.370 175.240 174.900 -0.051 0.000 0.984 39 G CA -0.125 44.951 45.100 -0.041 0.000 0.633 39 G HN 1.173 nan 8.290 nan 0.000 0.525 40 A N 0.369 123.156 122.820 -0.056 0.000 2.425 40 A HA 0.589 4.909 4.320 -0.000 0.000 0.242 40 A C 0.570 178.099 177.584 -0.091 0.000 1.077 40 A CA 0.313 52.310 52.037 -0.066 0.000 0.781 40 A CB 0.262 19.227 19.000 -0.058 0.000 1.020 40 A HN 0.536 nan 8.150 nan 0.000 0.494 41 E N -0.201 119.929 120.200 -0.116 0.000 2.374 41 E HA 0.511 4.861 4.350 -0.000 0.000 0.260 41 E C -0.118 176.361 176.600 -0.202 0.000 1.101 41 E CA 0.174 56.464 56.400 -0.184 0.000 0.907 41 E CB 1.092 30.650 29.700 -0.236 0.000 1.014 41 E HN 0.837 nan 8.360 nan 0.000 0.427 42 A N 1.715 124.367 122.820 -0.281 0.000 2.605 42 A HA 0.374 4.694 4.320 -0.000 0.000 0.294 42 A C -2.121 175.287 177.584 -0.294 0.000 1.062 42 A CA -0.826 51.075 52.037 -0.227 0.000 0.682 42 A CB 0.686 19.627 19.000 -0.098 0.000 1.278 42 A HN 0.616 nan 8.150 nan 0.000 0.410 43 W N 1.493 122.790 121.300 -0.005 0.000 2.342 43 W HA 0.534 5.194 4.660 -0.000 0.000 0.310 43 W C -0.044 176.458 176.519 -0.029 0.000 1.128 43 W CA -0.168 57.171 57.345 -0.009 0.000 1.322 43 W CB 1.397 30.853 29.460 -0.007 0.000 1.251 43 W HN 0.587 nan 8.180 nan 0.000 0.439 44 L N 5.690 127.038 121.223 0.208 0.000 2.281 44 L HA 0.453 4.793 4.340 -0.000 0.000 0.285 44 L C -0.387 176.557 176.870 0.123 0.000 1.074 44 L CA -0.235 54.675 54.840 0.116 0.000 0.817 44 L CB 0.493 42.603 42.059 0.085 0.000 1.168 44 L HN 0.147 nan 8.230 nan 0.000 0.434 45 V N 4.500 124.448 119.914 0.056 0.000 2.398 45 V HA 0.453 4.573 4.120 -0.000 0.000 0.286 45 V C 0.545 176.652 176.094 0.021 0.000 1.026 45 V CA 0.271 62.581 62.300 0.016 0.000 0.868 45 V CB 1.237 33.026 31.823 -0.058 0.000 0.982 45 V HN 0.931 nan 8.190 nan 0.000 0.443 46 S N 1.006 116.731 115.700 0.042 0.000 2.960 46 S HA 0.190 4.660 4.470 -0.000 0.000 0.256 46 S C 0.378 175.027 174.600 0.081 0.000 1.017 46 S CA 0.095 58.335 58.200 0.066 0.000 1.144 46 S CB 0.360 63.615 63.200 0.092 0.000 1.109 46 S HN 0.831 nan 8.310 nan 0.000 0.638 47 S N 0.277 116.014 115.700 0.061 0.000 2.593 47 S HA 0.553 5.023 4.470 -0.000 0.000 0.297 47 S C 0.542 175.191 174.600 0.082 0.000 1.112 47 S CA -0.669 57.587 58.200 0.092 0.000 1.043 47 S CB 0.911 64.157 63.200 0.076 0.000 1.054 47 S HN 0.242 nan 8.310 nan 0.000 0.516 48 Y N 2.690 123.000 120.300 0.017 0.000 2.114 48 Y HA -0.200 4.350 4.550 -0.000 0.000 0.282 48 Y C 2.516 178.374 175.900 -0.070 0.000 1.165 48 Y CA 2.565 60.640 58.100 -0.042 0.000 1.148 48 Y CB -0.902 37.504 38.460 -0.091 0.000 0.972 48 Y HN 0.909 nan 8.280 nan 0.000 0.504 49 A N 0.009 122.892 122.820 0.106 0.000 1.883 49 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 49 A C 2.269 179.818 177.584 -0.058 0.000 1.186 49 A CA 2.062 54.121 52.037 0.037 0.000 0.624 49 A CB -1.075 17.963 19.000 0.063 0.000 0.822 49 A HN 0.551 nan 8.150 nan 0.000 0.444 50 L N -1.194 119.995 121.223 -0.056 0.000 2.162 50 L HA -0.138 4.202 4.340 -0.000 0.000 0.205 50 L C 2.716 179.502 176.870 -0.141 0.000 1.086 50 L CA 0.700 55.487 54.840 -0.088 0.000 0.778 50 L CB -0.783 41.234 42.059 -0.070 0.000 0.928 50 L HN 0.469 nan 8.230 nan 0.000 0.446 51 C N 0.326 119.537 119.300 -0.148 0.000 2.393 51 C HA -0.234 4.226 4.460 -0.000 0.000 0.276 51 C C 3.147 177.999 174.990 -0.230 0.000 1.215 51 C CA 1.866 60.772 59.018 -0.187 0.000 1.743 51 C CB -1.130 26.502 27.740 -0.181 0.000 2.044 51 C HN 0.676 nan 8.230 nan 0.000 0.464 52 T N -0.540 113.819 114.554 -0.325 0.000 2.720 52 T HA -0.323 4.027 4.350 -0.000 0.000 0.268 52 T C 1.767 176.374 174.700 -0.155 0.000 1.037 52 T CA 1.969 63.891 62.100 -0.297 0.000 1.144 52 T CB -0.684 67.927 68.868 -0.429 0.000 0.864 52 T HN 0.734 nan 8.240 nan 0.000 0.444 53 Q N 0.604 120.330 119.800 -0.123 0.000 2.077 53 Q HA -0.140 4.200 4.340 -0.000 0.000 0.206 53 Q C 2.418 178.396 176.000 -0.037 0.000 0.989 53 Q CA 2.088 57.858 55.803 -0.055 0.000 0.853 53 Q CB -0.372 28.340 28.738 -0.042 0.000 0.907 53 Q HN 0.526 nan 8.270 nan 0.000 0.418 54 V N 1.063 120.887 119.914 -0.151 0.000 2.295 54 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 54 V C 2.369 178.427 176.094 -0.060 0.000 1.049 54 V CA 1.623 63.758 62.300 -0.275 0.000 1.024 54 V CB -0.507 30.997 31.823 -0.533 0.000 0.648 54 V HN 0.409 nan 8.190 nan 0.000 0.447 55 L N -0.369 120.814 121.223 -0.066 0.000 2.191 55 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 55 L C 2.369 179.271 176.870 0.052 0.000 1.103 55 L CA 1.428 56.273 54.840 0.007 0.000 0.769 55 L CB -0.527 41.518 42.059 -0.024 0.000 0.908 55 L HN 0.432 nan 8.230 nan 0.000 0.438 56 E N -0.935 119.284 120.200 0.032 0.000 2.385 56 E HA -0.072 4.278 4.350 -0.000 0.000 0.194 56 E C 0.254 176.896 176.600 0.069 0.000 1.013 56 E CA -0.024 56.397 56.400 0.036 0.000 0.866 56 E CB 0.243 29.945 29.700 0.003 0.000 0.832 56 E HN 0.216 nan 8.360 nan 0.000 0.500 57 D N 0.817 121.298 120.400 0.135 0.000 2.380 57 D HA 0.080 4.720 4.640 -0.000 0.000 0.230 57 D C 0.644 177.044 176.300 0.167 0.000 1.154 57 D CA -0.111 53.984 54.000 0.159 0.000 0.859 57 D CB 0.572 41.529 40.800 0.261 0.000 1.045 57 D HN -0.100 nan 8.370 nan 0.000 0.495 58 R N 2.487 123.037 120.500 0.082 0.000 2.241 58 R HA -0.034 4.306 4.340 -0.000 0.000 0.224 58 R C 1.688 178.011 176.300 0.038 0.000 1.101 58 R CA 0.694 56.838 56.100 0.073 0.000 0.995 58 R CB 0.263 30.582 30.300 0.032 0.000 0.870 58 R HN 0.385 nan 8.270 nan 0.000 0.463 59 R N -0.224 120.249 120.500 -0.044 0.000 2.189 59 R HA -0.055 4.285 4.340 -0.000 0.000 0.223 59 R C -0.020 176.125 176.300 -0.259 0.000 1.092 59 R CA 0.618 56.618 56.100 -0.167 0.000 0.989 59 R CB -0.044 30.099 30.300 -0.262 0.000 0.876 59 R HN 0.020 nan 8.270 nan 0.000 0.457 60 F N 1.006 120.972 119.950 0.028 0.000 2.405 60 F HA 0.126 4.653 4.527 -0.000 0.000 0.358 60 F C 0.638 176.468 175.800 0.050 0.000 1.151 60 F CA -0.274 57.746 58.000 0.033 0.000 1.161 60 F CB 0.901 39.917 39.000 0.027 0.000 1.245 60 F HN -0.197 nan 8.300 nan 0.000 0.545 61 S N 4.800 120.601 115.700 0.169 0.000 2.480 61 S HA 0.280 4.750 4.470 -0.000 0.000 0.286 61 S C 1.107 175.757 174.600 0.084 0.000 1.180 61 S CA -0.770 57.506 58.200 0.127 0.000 1.075 61 S CB 0.853 64.099 63.200 0.076 0.000 0.996 61 S HN 0.840 nan 8.310 nan 0.000 0.487 62 M N 4.726 124.346 119.600 0.035 0.000 2.123 62 M HA 0.003 4.483 4.480 -0.000 0.000 0.263 62 M C 2.167 178.436 176.300 -0.053 0.000 1.069 62 M CA 1.501 56.733 55.300 -0.114 0.000 1.133 62 M CB -0.397 31.904 32.600 -0.498 0.000 1.356 62 M HN 0.862 nan 8.290 nan 0.000 0.415 63 K N 0.226 120.629 120.400 0.006 0.000 2.034 63 K HA -0.226 4.094 4.320 -0.000 0.000 0.214 63 K C 1.444 178.048 176.600 0.008 0.000 1.051 63 K CA 1.954 58.254 56.287 0.021 0.000 0.931 63 K CB -0.156 32.379 32.500 0.058 0.000 0.715 63 K HN 0.319 nan 8.250 nan 0.000 0.446 64 E N 0.202 120.413 120.200 0.018 0.000 2.418 64 E HA -0.093 4.257 4.350 -0.000 0.000 0.197 64 E C 1.819 178.422 176.600 0.005 0.000 1.026 64 E CA 1.317 57.724 56.400 0.013 0.000 0.862 64 E CB -0.316 29.397 29.700 0.020 0.000 0.799 64 E HN 0.618 nan 8.360 nan 0.000 0.518 65 T N -1.533 113.021 114.554 -0.000 0.000 2.897 65 T HA -0.076 4.274 4.350 -0.000 0.000 0.271 65 T C 1.732 176.416 174.700 -0.026 0.000 1.084 65 T CA 1.231 63.325 62.100 -0.011 0.000 1.123 65 T CB -0.050 68.805 68.868 -0.022 0.000 0.865 65 T HN 0.122 nan 8.240 nan 0.000 0.496 66 A N 0.737 123.539 122.820 -0.032 0.000 2.308 66 A HA 0.769 5.089 4.320 -0.000 0.000 0.217 66 A C 1.324 178.887 177.584 -0.035 0.000 1.216 66 A CA 0.074 52.085 52.037 -0.045 0.000 0.864 66 A CB -0.534 18.432 19.000 -0.056 0.000 0.902 66 A HN 0.774 nan 8.150 nan 0.000 0.499 67 A N 0.547 123.354 122.820 -0.021 0.000 2.511 67 A HA 0.509 4.829 4.320 -0.000 0.000 0.242 67 A C 0.896 178.468 177.584 -0.020 0.000 1.069 67 A CA 0.246 52.273 52.037 -0.016 0.000 0.763 67 A CB -0.275 18.721 19.000 -0.007 0.000 1.001 67 A HN 1.449 nan 8.150 nan 0.000 0.498 68 A N 1.865 124.673 122.820 -0.020 0.000 2.548 68 A HA 0.463 4.783 4.320 -0.000 0.000 0.247 68 A C 1.710 179.284 177.584 -0.016 0.000 1.067 68 A CA 0.856 52.881 52.037 -0.020 0.000 0.757 68 A CB -0.885 18.104 19.000 -0.018 0.000 0.996 68 A HN 2.773 nan 8.150 nan 0.000 0.504 69 G N 1.146 109.935 108.800 -0.018 0.000 2.205 69 G HA2 0.100 4.060 3.960 -0.000 0.000 0.261 69 G HA3 0.100 4.060 3.960 -0.000 0.000 0.261 69 G C 0.690 175.583 174.900 -0.012 0.000 0.980 69 G CA 0.560 45.651 45.100 -0.015 0.000 0.632 69 G HN 2.278 nan 8.290 nan 0.000 0.533 70 A N 1.531 124.344 122.820 -0.012 0.000 2.498 70 A HA 0.562 4.882 4.320 -0.000 0.000 0.239 70 A C -0.878 176.698 177.584 -0.014 0.000 1.068 70 A CA -0.058 51.974 52.037 -0.008 0.000 0.766 70 A CB 0.057 19.053 19.000 -0.006 0.000 1.003 70 A HN 0.375 nan 8.150 nan 0.000 0.497 71 P HA 0.145 nan 4.420 nan 0.000 0.267 71 P C -0.709 176.576 177.300 -0.025 0.000 1.205 71 P CA 0.279 63.366 63.100 -0.022 0.000 0.765 71 P CB 0.482 32.169 31.700 -0.022 0.000 0.828 72 R N 2.385 122.864 120.500 -0.035 0.000 2.562 72 R HA 0.230 4.570 4.340 -0.000 0.000 0.298 72 R C 1.057 177.329 176.300 -0.046 0.000 0.961 72 R CA -0.983 55.093 56.100 -0.040 0.000 0.881 72 R CB 1.831 32.104 30.300 -0.045 0.000 1.159 72 R HN 0.338 nan 8.270 nan 0.000 0.450 73 L N 2.914 124.109 121.223 -0.047 0.000 2.017 73 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 73 L C 0.379 177.215 176.870 -0.056 0.000 1.073 73 L CA 1.862 56.670 54.840 -0.053 0.000 0.745 73 L CB -0.236 41.794 42.059 -0.048 0.000 0.894 73 L HN 0.795 nan 8.230 nan 0.000 0.432 74 N N -2.402 116.262 118.700 -0.059 0.000 3.020 74 N HA 0.427 5.167 4.740 -0.000 0.000 0.248 74 N C -0.984 174.484 175.510 -0.070 0.000 1.480 74 N CA -0.420 52.593 53.050 -0.062 0.000 0.874 74 N CB 1.145 39.591 38.487 -0.068 0.000 1.433 74 N HN 0.060 nan 8.380 nan 0.000 0.530 75 A N 0.924 123.702 122.820 -0.070 0.000 2.511 75 A HA 0.254 4.574 4.320 -0.000 0.000 0.242 75 A C 0.619 178.139 177.584 -0.107 0.000 1.069 75 A CA -0.310 51.681 52.037 -0.078 0.000 0.763 75 A CB -0.253 18.707 19.000 -0.068 0.000 1.001 75 A HN 0.572 nan 8.150 nan 0.000 0.498 76 L N 2.119 123.272 121.223 -0.116 0.000 2.559 76 L HA 0.037 4.377 4.340 -0.000 0.000 0.282 76 L C 1.620 178.380 176.870 -0.183 0.000 1.232 76 L CA 0.803 55.549 54.840 -0.157 0.000 0.885 76 L CB 0.558 42.524 42.059 -0.156 0.000 1.131 76 L HN 0.989 nan 8.230 nan 0.000 0.498 77 T N -0.784 113.625 114.554 -0.242 0.000 3.084 77 T HA 0.335 4.685 4.350 -0.000 0.000 0.270 77 T C -0.045 174.427 174.700 -0.379 0.000 1.008 77 T CA -0.099 61.846 62.100 -0.260 0.000 0.900 77 T CB 0.002 68.715 68.868 -0.258 0.000 1.084 77 T HN 0.359 nan 8.240 nan 0.000 0.538 78 V N -2.932 116.701 119.914 -0.469 0.000 3.078 78 V HA 0.780 4.900 4.120 -0.000 0.000 0.311 78 V C -3.244 172.491 176.094 -0.599 0.000 1.138 78 V CA -3.172 58.656 62.300 -0.786 0.000 1.007 78 V CB 1.308 32.669 31.823 -0.770 0.000 1.045 78 V HN -0.169 nan 8.190 nan 0.000 0.432 79 P HA 0.248 nan 4.420 nan 0.000 0.265 79 P C -2.245 174.915 177.300 -0.233 0.000 1.187 79 P CA -0.813 62.079 63.100 -0.346 0.000 0.766 79 P CB 0.039 31.591 31.700 -0.247 0.000 0.820 80 P HA -0.220 nan 4.420 nan 0.000 0.216 80 P C 1.266 178.521 177.300 -0.074 0.000 1.150 80 P CA 1.470 64.506 63.100 -0.106 0.000 0.843 80 P CB -0.213 31.444 31.700 -0.072 0.000 0.787 81 E N -0.308 119.862 120.200 -0.050 0.000 2.418 81 E HA -0.065 4.285 4.350 -0.000 0.000 0.197 81 E C 1.676 178.279 176.600 0.004 0.000 1.026 81 E CA 0.783 57.177 56.400 -0.011 0.000 0.862 81 E CB -1.214 28.492 29.700 0.009 0.000 0.799 81 E HN 0.118 nan 8.360 nan 0.000 0.518 82 V N 1.301 121.196 119.914 -0.031 0.000 2.667 82 V HA -0.157 3.963 4.120 -0.000 0.000 0.252 82 V C 2.433 178.526 176.094 -0.002 0.000 1.065 82 V CA 1.233 63.535 62.300 0.002 0.000 1.083 82 V CB -0.148 31.625 31.823 -0.084 0.000 0.692 82 V HN 0.199 nan 8.190 nan 0.000 0.468 83 V N 0.807 120.694 119.914 -0.044 0.000 2.720 83 V HA -0.143 3.977 4.120 -0.000 0.000 0.256 83 V C 1.741 177.835 176.094 -0.000 0.000 1.082 83 V CA 2.088 64.364 62.300 -0.040 0.000 1.101 83 V CB -0.490 31.293 31.823 -0.066 0.000 0.693 83 V HN 0.655 nan 8.190 nan 0.000 0.479 84 N N 0.359 119.075 118.700 0.027 0.000 2.327 84 N HA 0.040 4.780 4.740 -0.000 0.000 0.231 84 N C 1.140 176.710 175.510 0.099 0.000 1.130 84 N CA 0.304 53.396 53.050 0.070 0.000 0.845 84 N CB -0.494 38.028 38.487 0.058 0.000 1.073 84 N HN 0.502 nan 8.380 nan 0.000 0.496 85 N N 0.178 118.945 118.700 0.112 0.000 2.061 85 N HA -0.120 4.620 4.740 -0.000 0.000 0.193 85 N C 1.480 177.101 175.510 0.185 0.000 1.030 85 N CA 1.384 54.528 53.050 0.158 0.000 0.856 85 N CB 0.047 38.661 38.487 0.212 0.000 1.023 85 N HN 0.208 nan 8.380 nan 0.000 0.424 86 M N -0.443 119.279 119.600 0.204 0.000 2.296 86 M HA 0.028 4.508 4.480 -0.000 0.000 0.265 86 M C 2.035 178.422 176.300 0.146 0.000 1.064 86 M CA 1.073 56.499 55.300 0.210 0.000 1.109 86 M CB -1.261 31.472 32.600 0.223 0.000 1.396 86 M HN 0.312 nan 8.290 nan 0.000 0.430 87 G N 0.514 109.395 108.800 0.135 0.000 2.402 87 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 87 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 87 G C 1.373 176.318 174.900 0.075 0.000 1.162 87 G CA 0.567 45.725 45.100 0.097 0.000 0.777 87 G HN 0.407 nan 8.290 nan 0.000 0.539 88 N N 0.642 119.386 118.700 0.073 0.000 2.244 88 N HA -0.008 4.732 4.740 -0.000 0.000 0.183 88 N C 2.194 177.720 175.510 0.026 0.000 1.016 88 N CA 0.543 53.619 53.050 0.044 0.000 0.866 88 N CB -0.121 38.387 38.487 0.035 0.000 0.980 88 N HN 0.336 nan 8.380 nan 0.000 0.430 89 I N 1.278 121.876 120.570 0.048 0.000 2.179 89 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 89 I C 2.370 178.513 176.117 0.044 0.000 1.088 89 I CA 0.998 62.316 61.300 0.029 0.000 1.357 89 I CB -0.308 37.731 38.000 0.065 0.000 1.051 89 I HN 0.056 nan 8.210 nan 0.000 0.409 90 A N 0.730 123.588 122.820 0.063 0.000 1.865 90 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 90 A C 1.928 179.549 177.584 0.062 0.000 1.191 90 A CA 2.332 54.405 52.037 0.061 0.000 0.623 90 A CB -0.748 18.285 19.000 0.055 0.000 0.826 90 A HN 0.370 nan 8.150 nan 0.000 0.444 91 D N -0.076 120.359 120.400 0.058 0.000 2.218 91 D HA 0.013 4.653 4.640 -0.000 0.000 0.204 91 D C 1.918 178.276 176.300 0.097 0.000 0.976 91 D CA 1.341 55.380 54.000 0.066 0.000 0.853 91 D CB -0.344 40.491 40.800 0.057 0.000 0.939 91 D HN 0.456 nan 8.370 nan 0.000 0.481 92 A N -0.233 122.634 122.820 0.079 0.000 2.206 92 A HA 0.376 4.696 4.320 -0.000 0.000 0.211 92 A C 1.744 179.447 177.584 0.198 0.000 1.158 92 A CA 1.082 53.177 52.037 0.096 0.000 0.761 92 A CB -0.223 18.751 19.000 -0.044 0.000 0.801 92 A HN 0.252 nan 8.150 nan 0.000 0.473 93 G N -1.356 107.541 108.800 0.162 0.000 2.142 93 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.225 93 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.225 93 G C 0.448 175.475 174.900 0.213 0.000 1.015 93 G CA 0.361 45.577 45.100 0.193 0.000 0.716 93 G HN 0.486 nan 8.290 nan 0.000 0.508 94 L N -0.739 120.554 121.223 0.116 0.000 2.693 94 L HA 0.308 4.648 4.340 -0.000 0.000 0.235 94 L C 2.556 179.434 176.870 0.014 0.000 1.127 94 L CA 0.226 55.091 54.840 0.041 0.000 0.914 94 L CB -0.045 41.993 42.059 -0.034 0.000 1.193 94 L HN 0.306 nan 8.230 nan 0.000 0.502 95 R N 1.277 121.801 120.500 0.040 0.000 2.081 95 R HA -0.190 4.150 4.340 -0.000 0.000 0.235 95 R C 2.165 178.484 176.300 0.032 0.000 1.131 95 R CA 1.541 57.664 56.100 0.040 0.000 0.960 95 R CB 0.059 30.394 30.300 0.059 0.000 0.856 95 R HN 0.191 nan 8.270 nan 0.000 0.436 96 K N -0.202 120.221 120.400 0.039 0.000 2.063 96 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 96 K C 1.943 178.552 176.600 0.015 0.000 1.048 96 K CA 1.521 57.827 56.287 0.032 0.000 0.928 96 K CB -0.130 32.395 32.500 0.041 0.000 0.713 96 K HN 0.268 nan 8.250 nan 0.000 0.442 97 A N 0.462 123.284 122.820 0.003 0.000 1.873 97 A HA -0.106 4.213 4.320 -0.000 0.000 0.215 97 A C 2.235 179.788 177.584 -0.051 0.000 1.186 97 A CA 1.480 53.501 52.037 -0.026 0.000 0.616 97 A CB -0.613 18.360 19.000 -0.046 0.000 0.823 97 A HN 0.144 nan 8.150 nan 0.000 0.442 98 V N 0.008 119.877 119.914 -0.074 0.000 2.255 98 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 98 V C 2.704 178.770 176.094 -0.046 0.000 1.051 98 V CA 2.150 64.370 62.300 -0.134 0.000 1.018 98 V CB -0.689 31.011 31.823 -0.204 0.000 0.641 98 V HN 0.497 nan 8.190 nan 0.000 0.445 99 M N -0.259 119.346 119.600 0.009 0.000 2.159 99 M HA -0.155 4.325 4.480 -0.000 0.000 0.263 99 M C 2.188 178.502 176.300 0.023 0.000 1.063 99 M CA 1.799 57.123 55.300 0.041 0.000 1.110 99 M CB -1.224 31.406 32.600 0.051 0.000 1.374 99 M HN 0.351 nan 8.290 nan 0.000 0.411 100 K N 0.577 120.982 120.400 0.007 0.000 2.057 100 K HA -0.063 4.257 4.320 -0.000 0.000 0.207 100 K C 1.870 178.467 176.600 -0.005 0.000 1.049 100 K CA 1.692 57.981 56.287 0.003 0.000 0.931 100 K CB -0.211 32.288 32.500 -0.002 0.000 0.714 100 K HN 0.219 nan 8.250 nan 0.000 0.440 101 A N 0.962 123.771 122.820 -0.018 0.000 2.015 101 A HA -0.018 4.302 4.320 -0.000 0.000 0.219 101 A C 1.944 179.523 177.584 -0.008 0.000 1.163 101 A CA 1.438 53.460 52.037 -0.025 0.000 0.646 101 A CB -0.699 18.272 19.000 -0.048 0.000 0.806 101 A HN 0.586 nan 8.150 nan 0.000 0.448 102 I N -4.495 116.084 120.570 0.016 0.000 3.976 102 I HA 0.230 4.400 4.170 -0.000 0.000 0.337 102 I C 0.563 176.697 176.117 0.028 0.000 1.359 102 I CA -0.107 61.215 61.300 0.038 0.000 1.098 102 I CB 0.004 38.074 38.000 0.118 0.000 1.027 102 I HN -0.004 nan 8.210 nan 0.000 0.394 103 T N 3.551 118.118 114.554 0.021 0.000 2.884 103 T HA 0.262 4.612 4.350 -0.000 0.000 0.298 103 T C -1.025 173.684 174.700 0.016 0.000 0.998 103 T CA -1.210 60.902 62.100 0.019 0.000 1.124 103 T CB 1.020 69.899 68.868 0.019 0.000 0.931 103 T HN 0.167 nan 8.240 nan 0.000 0.531 104 P HA -0.024 nan 4.420 nan 0.000 0.220 104 P C 0.821 178.139 177.300 0.031 0.000 1.148 104 P CA 0.869 63.987 63.100 0.031 0.000 0.803 104 P CB 0.224 31.948 31.700 0.041 0.000 0.782 105 K N 0.012 120.428 120.400 0.026 0.000 2.522 105 K HA 0.210 4.530 4.320 -0.000 0.000 0.194 105 K C 0.904 177.515 176.600 0.018 0.000 1.026 105 K CA -0.252 56.050 56.287 0.024 0.000 1.119 105 K CB -0.658 31.855 32.500 0.022 0.000 0.856 105 K HN 0.075 nan 8.250 nan 0.000 0.513 106 A N 3.267 126.095 122.820 0.013 0.000 2.567 106 A HA 0.107 4.427 4.320 -0.000 0.000 0.240 106 A C -2.140 175.448 177.584 0.008 0.000 1.053 106 A CA -0.757 51.283 52.037 0.005 0.000 0.755 106 A CB -0.441 18.555 19.000 -0.006 0.000 0.978 106 A HN 0.002 nan 8.150 nan 0.000 0.507 107 P HA 0.254 nan 4.420 nan 0.000 0.263 107 P C 1.145 178.452 177.300 0.012 0.000 1.195 107 P CA 1.716 64.821 63.100 0.009 0.000 0.762 107 P CB 0.625 32.328 31.700 0.004 0.000 0.799 108 G N 2.956 111.774 108.800 0.030 0.000 2.284 108 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.247 108 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.247 108 G C 0.881 175.834 174.900 0.088 0.000 1.012 108 G CA 0.162 45.293 45.100 0.051 0.000 0.618 108 G HN 0.541 nan 8.290 nan 0.000 0.521 109 L N 1.042 122.303 121.223 0.063 0.000 2.042 109 L HA -0.022 4.318 4.340 -0.000 0.000 0.210 109 L C 2.433 179.394 176.870 0.152 0.000 1.076 109 L CA 3.189 58.087 54.840 0.096 0.000 0.749 109 L CB -0.810 41.276 42.059 0.045 0.000 0.893 109 L HN 0.621 nan 8.230 nan 0.000 0.432 110 E N -0.871 119.389 120.200 0.101 0.000 2.072 110 E HA -0.278 4.072 4.350 -0.000 0.000 0.191 110 E C 2.075 178.725 176.600 0.083 0.000 0.985 110 E CA 1.119 57.570 56.400 0.086 0.000 0.801 110 E CB 0.047 29.783 29.700 0.059 0.000 0.750 110 E HN 0.384 nan 8.360 nan 0.000 0.452 111 Q N 0.028 119.882 119.800 0.089 0.000 2.172 111 Q HA -0.124 4.216 4.340 -0.000 0.000 0.200 111 Q C 1.642 177.699 176.000 0.095 0.000 0.964 111 Q CA 1.071 56.918 55.803 0.074 0.000 0.855 111 Q CB -0.274 28.505 28.738 0.068 0.000 0.918 111 Q HN 0.327 nan 8.270 nan 0.000 0.444 112 F N -0.336 119.620 119.950 0.009 0.000 2.126 112 F HA -0.199 4.328 4.527 -0.000 0.000 0.299 112 F C 1.527 177.332 175.800 0.008 0.000 1.096 112 F CA 1.251 59.257 58.000 0.010 0.000 1.255 112 F CB -0.017 38.990 39.000 0.011 0.000 0.997 112 F HN 0.101 nan 8.300 nan 0.000 0.479 113 L N -0.028 121.206 121.223 0.018 0.000 2.027 113 L HA -0.207 4.133 4.340 -0.000 0.000 0.206 113 L C 2.688 179.481 176.870 -0.129 0.000 1.074 113 L CA 1.397 56.188 54.840 -0.082 0.000 0.745 113 L CB -0.541 41.534 42.059 0.026 0.000 0.898 113 L HN 0.052 nan 8.230 nan 0.000 0.433 114 R N -0.254 120.208 120.500 -0.063 0.000 2.091 114 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 114 R C 1.898 178.147 176.300 -0.085 0.000 1.136 114 R CA 1.674 57.742 56.100 -0.053 0.000 0.959 114 R CB -0.422 29.867 30.300 -0.018 0.000 0.856 114 R HN 0.373 nan 8.270 nan 0.000 0.437 115 D N -0.363 119.966 120.400 -0.119 0.000 2.097 115 D HA -0.094 4.546 4.640 -0.000 0.000 0.197 115 D C 1.897 178.082 176.300 -0.192 0.000 0.984 115 D CA 1.537 55.460 54.000 -0.129 0.000 0.826 115 D CB -0.415 40.320 40.800 -0.109 0.000 0.973 115 D HN 0.145 nan 8.370 nan 0.000 0.460 116 T N 0.868 115.205 114.554 -0.360 0.000 2.708 116 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 116 T C 2.030 176.627 174.700 -0.171 0.000 1.037 116 T CA 1.657 63.542 62.100 -0.357 0.000 1.146 116 T CB -0.439 68.050 68.868 -0.631 0.000 0.865 116 T HN 0.187 nan 8.240 nan 0.000 0.435 117 A N 2.692 125.430 122.820 -0.136 0.000 1.892 117 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 117 A C 2.271 179.902 177.584 0.080 0.000 1.188 117 A CA 1.774 53.830 52.037 0.032 0.000 0.631 117 A CB -0.765 18.256 19.000 0.034 0.000 0.822 117 A HN 0.421 nan 8.150 nan 0.000 0.447 118 N N 0.048 118.741 118.700 -0.012 0.000 2.244 118 N HA -0.082 4.658 4.740 -0.000 0.000 0.183 118 N C 1.950 177.434 175.510 -0.043 0.000 1.016 118 N CA 1.472 54.502 53.050 -0.034 0.000 0.866 118 N CB -0.314 38.147 38.487 -0.043 0.000 0.980 118 N HN 0.488 nan 8.380 nan 0.000 0.430 119 S N 1.268 116.942 115.700 -0.044 0.000 2.357 119 S HA 0.054 4.524 4.470 -0.000 0.000 0.221 119 S C 2.192 176.777 174.600 -0.025 0.000 1.031 119 S CA 0.445 58.621 58.200 -0.040 0.000 0.982 119 S CB -0.207 62.963 63.200 -0.050 0.000 0.853 119 S HN 0.208 nan 8.310 nan 0.000 0.458 120 L N 1.273 122.497 121.223 0.002 0.000 1.990 120 L HA -0.185 4.155 4.340 -0.000 0.000 0.213 120 L C 2.353 179.220 176.870 -0.006 0.000 1.072 120 L CA 1.341 56.208 54.840 0.045 0.000 0.755 120 L CB -0.704 41.457 42.059 0.169 0.000 0.889 120 L HN 0.282 nan 8.230 nan 0.000 0.432 121 L N -0.618 120.569 121.223 -0.059 0.000 2.042 121 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 121 L C 2.297 179.053 176.870 -0.191 0.000 1.076 121 L CA 1.230 55.929 54.840 -0.236 0.000 0.749 121 L CB -0.663 41.216 42.059 -0.299 0.000 0.893 121 L HN 0.315 nan 8.230 nan 0.000 0.432 122 D N -0.281 120.052 120.400 -0.112 0.000 2.144 122 D HA -0.153 4.487 4.640 -0.000 0.000 0.199 122 D C 1.965 178.235 176.300 -0.049 0.000 0.984 122 D CA 0.959 54.912 54.000 -0.077 0.000 0.834 122 D CB -0.304 40.466 40.800 -0.049 0.000 0.955 122 D HN 0.279 nan 8.370 nan 0.000 0.465 123 N N 0.482 119.159 118.700 -0.038 0.000 2.084 123 N HA -0.091 4.649 4.740 -0.000 0.000 0.190 123 N C 2.082 177.588 175.510 -0.008 0.000 1.030 123 N CA 0.470 53.511 53.050 -0.015 0.000 0.849 123 N CB -0.511 37.971 38.487 -0.008 0.000 1.012 123 N HN 0.252 nan 8.380 nan 0.000 0.423 124 L N 0.380 121.576 121.223 -0.044 0.000 2.046 124 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 124 L C 2.116 179.015 176.870 0.048 0.000 1.077 124 L CA 0.927 55.749 54.840 -0.031 0.000 0.747 124 L CB -0.381 41.575 42.059 -0.170 0.000 0.896 124 L HN 0.114 nan 8.230 nan 0.000 0.432 125 I N -0.632 119.919 120.570 -0.031 0.000 2.315 125 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 125 I C 2.452 178.660 176.117 0.152 0.000 1.117 125 I CA 1.250 62.619 61.300 0.114 0.000 1.404 125 I CB -0.261 37.729 38.000 -0.018 0.000 1.071 125 I HN 0.247 nan 8.210 nan 0.000 0.419 126 T N -0.013 114.583 114.554 0.070 0.000 2.777 126 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 126 T C 1.753 176.490 174.700 0.063 0.000 1.040 126 T CA 1.062 63.195 62.100 0.055 0.000 1.141 126 T CB -0.138 68.746 68.868 0.027 0.000 0.868 126 T HN 0.256 nan 8.240 nan 0.000 0.444 127 E N 0.673 120.915 120.200 0.070 0.000 2.268 127 E HA 0.173 4.523 4.350 -0.000 0.000 0.195 127 E C 1.344 177.988 176.600 0.074 0.000 0.995 127 E CA 0.554 56.992 56.400 0.062 0.000 0.836 127 E CB -0.586 29.148 29.700 0.056 0.000 0.763 127 E HN 0.594 nan 8.360 nan 0.000 0.491 128 G N 0.560 109.443 108.800 0.138 0.000 2.712 128 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.686 128 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.686 128 G C -0.089 174.831 174.900 0.034 0.000 1.321 128 G CA -0.433 44.715 45.100 0.080 0.000 0.813 128 G HN 0.425 nan 8.290 nan 0.000 0.599 129 A N 2.010 124.658 122.820 -0.288 0.000 2.425 129 A HA 0.748 5.068 4.320 -0.000 0.000 0.242 129 A C -0.541 176.945 177.584 -0.164 0.000 1.077 129 A CA 0.030 51.845 52.037 -0.370 0.000 0.781 129 A CB -0.216 18.289 19.000 -0.824 0.000 1.020 129 A HN 1.131 nan 8.150 nan 0.000 0.494 130 P HA 0.481 nan 4.420 nan 0.000 0.274 130 P C -0.661 176.696 177.300 0.095 0.000 1.231 130 P CA -0.033 63.058 63.100 -0.015 0.000 0.790 130 P CB 1.195 32.883 31.700 -0.018 0.000 0.951 131 A N 1.322 124.267 122.820 0.208 0.000 2.340 131 A HA 0.398 4.717 4.320 -0.000 0.000 0.331 131 A C -0.455 177.183 177.584 0.090 0.000 1.140 131 A CA -0.505 51.638 52.037 0.178 0.000 0.801 131 A CB 0.743 19.882 19.000 0.232 0.000 1.234 131 A HN 0.524 nan 8.150 nan 0.000 0.469 132 D N 2.581 123.012 120.400 0.052 0.000 2.428 132 D HA 0.285 4.925 4.640 -0.000 0.000 0.221 132 D C 0.691 177.017 176.300 0.043 0.000 1.123 132 D CA -0.195 53.822 54.000 0.030 0.000 0.869 132 D CB 0.453 41.262 40.800 0.014 0.000 1.032 132 D HN 0.426 nan 8.370 nan 0.000 0.506 133 L N 2.987 124.238 121.223 0.046 0.000 2.465 133 L HA 0.001 4.341 4.340 -0.000 0.000 0.224 133 L C 2.279 179.227 176.870 0.130 0.000 1.145 133 L CA 0.401 55.303 54.840 0.104 0.000 0.834 133 L CB -0.021 42.083 42.059 0.075 0.000 0.944 133 L HN 0.342 nan 8.230 nan 0.000 0.451 134 R N 0.272 120.805 120.500 0.054 0.000 2.048 134 R HA -0.025 4.315 4.340 -0.000 0.000 0.221 134 R C 1.984 178.294 176.300 0.015 0.000 1.174 134 R CA 0.845 56.962 56.100 0.029 0.000 0.971 134 R CB 0.067 30.365 30.300 -0.003 0.000 0.863 134 R HN 0.266 nan 8.270 nan 0.000 0.439 135 N N 0.600 119.305 118.700 0.009 0.000 2.331 135 N HA -0.091 4.649 4.740 -0.000 0.000 0.180 135 N C 0.111 175.608 175.510 -0.021 0.000 1.019 135 N CA 1.018 54.062 53.050 -0.010 0.000 0.881 135 N CB 0.153 38.642 38.487 0.004 0.000 0.972 135 N HN 0.313 nan 8.380 nan 0.000 0.435 136 D N -1.380 119.033 120.400 0.021 0.000 2.433 136 D HA 0.144 4.784 4.640 -0.000 0.000 0.211 136 D C 0.643 177.017 176.300 0.123 0.000 1.114 136 D CA -0.087 53.936 54.000 0.039 0.000 0.837 136 D CB 0.487 41.308 40.800 0.035 0.000 0.984 136 D HN 0.199 nan 8.370 nan 0.000 0.505 137 F N 0.362 120.267 119.950 -0.076 0.000 1.965 137 F HA 0.298 4.825 4.527 -0.000 0.000 0.237 137 F C 1.955 177.717 175.800 -0.063 0.000 1.132 137 F CA 0.253 58.203 58.000 -0.083 0.000 1.272 137 F CB -0.016 38.927 39.000 -0.096 0.000 1.657 137 F HN -0.136 nan 8.300 nan 0.000 0.525 138 A N 0.325 123.024 122.820 -0.201 0.000 1.873 138 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 138 A C 1.630 179.129 177.584 -0.142 0.000 1.186 138 A CA 2.233 54.107 52.037 -0.271 0.000 0.616 138 A CB -0.939 18.026 19.000 -0.059 0.000 0.823 138 A HN 0.518 nan 8.150 nan 0.000 0.442 139 D N -0.540 119.792 120.400 -0.113 0.000 2.103 139 D HA -0.047 4.593 4.640 -0.000 0.000 0.199 139 D C -0.482 175.660 176.300 -0.265 0.000 0.978 139 D CA 1.342 55.245 54.000 -0.162 0.000 0.829 139 D CB -1.499 39.190 40.800 -0.185 0.000 0.981 139 D HN 0.292 nan 8.370 nan 0.000 0.464 140 P HA -0.098 nan 4.420 nan 0.000 0.217 140 P C 1.719 178.945 177.300 -0.123 0.000 1.150 140 P CA 0.596 63.576 63.100 -0.201 0.000 0.832 140 P CB 0.061 31.677 31.700 -0.140 0.000 0.787 141 L N -0.084 121.042 121.223 -0.162 0.000 2.017 141 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 141 L C 2.297 179.225 176.870 0.096 0.000 1.073 141 L CA 2.138 56.904 54.840 -0.124 0.000 0.745 141 L CB -1.552 40.277 42.059 -0.383 0.000 0.894 141 L HN -0.109 nan 8.230 nan 0.000 0.432 142 A N -1.614 121.292 122.820 0.144 0.000 1.883 142 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 142 A C 2.278 179.929 177.584 0.112 0.000 1.186 142 A CA 2.505 54.594 52.037 0.086 0.000 0.624 142 A CB -1.286 17.651 19.000 -0.104 0.000 0.822 142 A HN 0.528 nan 8.150 nan 0.000 0.444 143 T N 0.201 114.765 114.554 0.016 0.000 2.746 143 T HA 0.010 4.360 4.350 -0.000 0.000 0.267 143 T C 2.238 177.068 174.700 0.217 0.000 1.039 143 T CA 1.581 63.731 62.100 0.083 0.000 1.142 143 T CB -0.481 68.397 68.868 0.017 0.000 0.866 143 T HN 0.611 nan 8.240 nan 0.000 0.444 144 A N 1.461 124.393 122.820 0.186 0.000 1.902 144 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 144 A C 2.245 180.092 177.584 0.438 0.000 1.181 144 A CA 1.362 53.580 52.037 0.302 0.000 0.623 144 A CB -0.866 18.249 19.000 0.192 0.000 0.818 144 A HN 0.403 nan 8.150 nan 0.000 0.443 145 L N -0.570 120.867 121.223 0.357 0.000 2.012 145 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 145 L C 2.207 179.112 176.870 0.058 0.000 1.073 145 L CA 2.658 57.656 54.840 0.264 0.000 0.748 145 L CB -0.952 41.219 42.059 0.186 0.000 0.891 145 L HN 0.539 nan 8.230 nan 0.000 0.431 146 H N -2.114 117.017 119.070 0.101 0.000 2.462 146 H HA -0.036 4.520 4.556 -0.000 0.000 0.292 146 H C 2.325 177.793 175.328 0.232 0.000 1.049 146 H CA 1.414 57.520 56.048 0.097 0.000 1.334 146 H CB -0.583 29.098 29.762 -0.134 0.000 1.404 146 H HN 0.398 nan 8.280 nan 0.000 0.544 147 C N 0.491 120.000 119.300 0.348 0.000 2.432 147 C HA -0.118 4.342 4.460 -0.000 0.000 0.277 147 C C 2.668 177.707 174.990 0.082 0.000 1.249 147 C CA 1.220 60.393 59.018 0.258 0.000 1.725 147 C CB -0.367 27.514 27.740 0.235 0.000 2.028 147 C HN 0.475 nan 8.230 nan 0.000 0.477 148 K N 1.257 121.635 120.400 -0.037 0.000 2.057 148 K HA -0.072 4.248 4.320 -0.000 0.000 0.206 148 K C 1.760 178.275 176.600 -0.143 0.000 1.050 148 K CA 1.549 57.687 56.287 -0.250 0.000 0.935 148 K CB -0.693 31.402 32.500 -0.675 0.000 0.715 148 K HN 0.279 nan 8.250 nan 0.000 0.439 149 V N 0.695 120.559 119.914 -0.084 0.000 2.343 149 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 149 V C 2.079 178.172 176.094 -0.002 0.000 1.051 149 V CA 1.515 63.781 62.300 -0.058 0.000 1.036 149 V CB -0.390 31.371 31.823 -0.103 0.000 0.654 149 V HN 0.226 nan 8.190 nan 0.000 0.451 150 L N 0.128 121.388 121.223 0.061 0.000 2.313 150 L HA 0.259 4.599 4.340 -0.000 0.000 0.214 150 L C 1.847 178.737 176.870 0.033 0.000 1.119 150 L CA 1.665 56.557 54.840 0.087 0.000 0.809 150 L CB -0.705 41.470 42.059 0.194 0.000 0.933 150 L HN 0.506 nan 8.230 nan 0.000 0.449 151 G N -0.161 108.643 108.800 0.006 0.000 2.141 151 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.242 151 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.242 151 G C 0.461 175.360 174.900 -0.002 0.000 0.982 151 G CA 0.331 45.418 45.100 -0.022 0.000 0.662 151 G HN 0.440 nan 8.290 nan 0.000 0.527 152 I N -1.933 118.663 120.570 0.043 0.000 2.664 152 I HA 0.756 4.926 4.170 -0.000 0.000 0.308 152 I C -2.106 174.055 176.117 0.074 0.000 0.984 152 I CA -3.094 58.249 61.300 0.072 0.000 1.213 152 I CB 1.178 39.266 38.000 0.147 0.000 1.379 152 I HN -0.156 nan 8.210 nan 0.000 0.501 153 P HA 0.023 nan 4.420 nan 0.000 0.264 153 P C 0.088 177.441 177.300 0.088 0.000 1.183 153 P CA -0.056 63.087 63.100 0.071 0.000 0.763 153 P CB 0.493 32.236 31.700 0.072 0.000 0.807 154 Q N 2.907 122.760 119.800 0.088 0.000 2.096 154 Q HA -0.220 4.120 4.340 -0.000 0.000 0.204 154 Q C 1.727 177.782 176.000 0.092 0.000 0.982 154 Q CA 1.848 57.720 55.803 0.115 0.000 0.850 154 Q CB -0.376 28.446 28.738 0.140 0.000 0.901 154 Q HN 0.693 nan 8.270 nan 0.000 0.422 155 E N 0.472 120.714 120.200 0.069 0.000 2.333 155 E HA -0.202 4.148 4.350 -0.000 0.000 0.200 155 E C 0.420 177.038 176.600 0.031 0.000 1.010 155 E CA 1.313 57.742 56.400 0.049 0.000 0.841 155 E CB -0.077 29.648 29.700 0.043 0.000 0.757 155 E HN 0.231 nan 8.360 nan 0.000 0.508 156 D N 0.623 121.041 120.400 0.029 0.000 2.349 156 D HA 0.042 4.682 4.640 -0.000 0.000 0.215 156 D C 1.811 178.046 176.300 -0.107 0.000 1.016 156 D CA 0.849 54.818 54.000 -0.053 0.000 0.870 156 D CB 0.018 40.813 40.800 -0.007 0.000 0.917 156 D HN 0.366 nan 8.370 nan 0.000 0.524 157 G N 2.106 110.918 108.800 0.019 0.000 2.433 157 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 157 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 157 G C -0.636 174.351 174.900 0.146 0.000 1.186 157 G CA 0.361 45.531 45.100 0.117 0.000 0.779 157 G HN 0.262 nan 8.290 nan 0.000 0.543 158 P HA -0.177 nan 4.420 nan 0.000 0.216 158 P C 1.892 179.280 177.300 0.146 0.000 1.157 158 P CA 2.172 65.353 63.100 0.135 0.000 0.880 158 P CB -0.099 31.641 31.700 0.067 0.000 0.791 159 K N -0.238 120.172 120.400 0.016 0.000 2.031 159 K HA -0.061 4.258 4.320 -0.000 0.000 0.205 159 K C 2.071 178.622 176.600 -0.082 0.000 1.049 159 K CA 1.362 57.624 56.287 -0.041 0.000 0.939 159 K CB -1.264 31.164 32.500 -0.120 0.000 0.717 159 K HN 0.132 nan 8.250 nan 0.000 0.438 160 L N 0.374 121.469 121.223 -0.212 0.000 2.083 160 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 160 L C 2.662 179.574 176.870 0.070 0.000 1.083 160 L CA 1.214 55.877 54.840 -0.295 0.000 0.752 160 L CB -0.574 40.937 42.059 -0.912 0.000 0.899 160 L HN 0.114 nan 8.230 nan 0.000 0.433 161 F N 0.926 120.972 119.950 0.159 0.000 2.126 161 F HA -0.240 4.287 4.527 -0.000 0.000 0.299 161 F C 2.736 178.631 175.800 0.159 0.000 1.096 161 F CA 1.505 59.671 58.000 0.276 0.000 1.255 161 F CB -0.256 38.873 39.000 0.214 0.000 0.997 161 F HN -0.134 nan 8.300 nan 0.000 0.479 162 R N -0.253 120.283 120.500 0.061 0.000 2.159 162 R HA -0.143 4.197 4.340 -0.000 0.000 0.237 162 R C 2.178 178.429 176.300 -0.081 0.000 1.131 162 R CA 1.422 57.504 56.100 -0.030 0.000 0.982 162 R CB -0.368 29.957 30.300 0.042 0.000 0.868 162 R HN 0.260 nan 8.270 nan 0.000 0.453 163 S N 0.406 116.083 115.700 -0.038 0.000 2.481 163 S HA -0.008 4.462 4.470 -0.000 0.000 0.231 163 S C 1.606 176.223 174.600 0.028 0.000 0.996 163 S CA 0.597 58.802 58.200 0.009 0.000 0.942 163 S CB 0.047 63.275 63.200 0.047 0.000 0.768 163 S HN 0.310 nan 8.310 nan 0.000 0.520 164 L N 1.554 122.753 121.223 -0.040 0.000 2.240 164 L HA -0.001 4.339 4.340 -0.000 0.000 0.211 164 L C 2.537 179.542 176.870 0.225 0.000 1.106 164 L CA 1.017 55.926 54.840 0.116 0.000 0.793 164 L CB -0.719 41.336 42.059 -0.007 0.000 0.927 164 L HN 0.391 nan 8.230 nan 0.000 0.446 165 S N -0.222 115.499 115.700 0.035 0.000 2.469 165 S HA -0.071 4.399 4.470 -0.000 0.000 0.238 165 S C 1.677 176.418 174.600 0.235 0.000 0.998 165 S CA 0.846 59.089 58.200 0.072 0.000 0.957 165 S CB -0.260 62.873 63.200 -0.112 0.000 0.764 165 S HN 0.444 nan 8.310 nan 0.000 0.514 166 I N 0.542 121.215 120.570 0.170 0.000 3.300 166 I HA 0.245 4.415 4.170 -0.000 0.000 0.279 166 I C 2.801 178.966 176.117 0.080 0.000 1.172 166 I CA 0.567 61.943 61.300 0.126 0.000 1.431 166 I CB -0.389 37.646 38.000 0.058 0.000 1.240 166 I HN 0.339 nan 8.210 nan 0.000 0.453 167 A N 0.909 123.761 122.820 0.052 0.000 1.940 167 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 167 A C 1.644 178.972 177.584 -0.426 0.000 1.176 167 A CA 1.698 53.648 52.037 -0.145 0.000 0.631 167 A CB -0.760 18.181 19.000 -0.098 0.000 0.814 167 A HN 0.426 nan 8.150 nan 0.000 0.446 168 F N -0.585 119.285 119.950 -0.134 0.000 2.639 168 F HA 0.357 4.884 4.527 -0.000 0.000 0.300 168 F C 0.759 176.104 175.800 -0.759 0.000 1.109 168 F CA -0.358 57.340 58.000 -0.503 0.000 1.335 168 F CB -0.231 38.356 39.000 -0.689 0.000 1.014 168 F HN 0.034 nan 8.300 nan 0.000 0.537 169 M N 0.043 119.570 119.600 -0.122 0.000 2.252 169 M HA -0.049 4.431 4.480 -0.000 0.000 0.329 169 M C 0.773 177.007 176.300 -0.109 0.000 1.101 169 M CA 0.619 55.923 55.300 0.007 0.000 1.117 169 M CB 0.454 33.109 32.600 0.092 0.000 1.563 169 M HN -0.080 nan 8.290 nan 0.000 0.445 170 S N 1.894 117.567 115.700 -0.044 0.000 2.475 170 S HA 0.336 4.806 4.470 -0.000 0.000 0.249 170 S C -0.612 173.977 174.600 -0.017 0.000 1.298 170 S CA -0.514 57.654 58.200 -0.053 0.000 1.125 170 S CB 0.376 63.546 63.200 -0.050 0.000 1.054 170 S HN 0.662 nan 8.310 nan 0.000 0.484 171 S N 3.006 118.687 115.700 -0.031 0.000 2.578 171 S HA 0.713 5.183 4.470 -0.000 0.000 0.301 171 S C 1.154 175.737 174.600 -0.029 0.000 1.091 171 S CA -0.227 57.962 58.200 -0.018 0.000 1.032 171 S CB 1.400 64.588 63.200 -0.019 0.000 1.064 171 S HN 0.777 nan 8.310 nan 0.000 0.508 172 A N 2.796 125.604 122.820 -0.020 0.000 2.014 172 A HA 0.175 4.495 4.320 -0.000 0.000 0.218 172 A C 0.396 177.964 177.584 -0.028 0.000 1.163 172 A CA 0.967 52.989 52.037 -0.025 0.000 0.652 172 A CB -0.263 18.726 19.000 -0.018 0.000 0.808 172 A HN 0.825 nan 8.150 nan 0.000 0.449 173 D N -1.619 118.766 120.400 -0.026 0.000 2.547 173 D HA 0.456 5.096 4.640 -0.000 0.000 0.231 173 D C -3.023 173.257 176.300 -0.033 0.000 1.099 173 D CA -1.517 52.467 54.000 -0.027 0.000 0.901 173 D CB 0.918 41.707 40.800 -0.019 0.000 1.478 173 D HN -0.158 nan 8.370 nan 0.000 0.471 174 P HA 0.177 nan 4.420 nan 0.000 0.268 174 P C -0.433 176.848 177.300 -0.032 0.000 1.208 174 P CA 0.132 63.207 63.100 -0.042 0.000 0.777 174 P CB 0.583 32.259 31.700 -0.040 0.000 0.875 175 I N 3.300 123.848 120.570 -0.037 0.000 2.437 175 I HA 0.205 4.375 4.170 -0.000 0.000 0.279 175 I C -1.606 174.500 176.117 -0.017 0.000 1.028 175 I CA -2.063 59.224 61.300 -0.023 0.000 1.142 175 I CB 1.803 39.788 38.000 -0.024 0.000 1.266 175 I HN 0.221 nan 8.210 nan 0.000 0.461 176 P HA -0.259 nan 4.420 nan 0.000 0.216 176 P C 1.616 178.921 177.300 0.009 0.000 1.154 176 P CA 1.407 64.506 63.100 -0.001 0.000 0.865 176 P CB 0.322 32.023 31.700 0.002 0.000 0.789 177 A N -0.512 122.315 122.820 0.011 0.000 2.019 177 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 177 A C 2.274 179.877 177.584 0.032 0.000 1.164 177 A CA 1.884 53.933 52.037 0.021 0.000 0.644 177 A CB -1.397 17.614 19.000 0.019 0.000 0.805 177 A HN 0.226 nan 8.150 nan 0.000 0.449 178 A N -0.147 122.685 122.820 0.019 0.000 1.898 178 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 178 A C 2.112 179.737 177.584 0.068 0.000 1.181 178 A CA 1.825 53.876 52.037 0.023 0.000 0.620 178 A CB -0.375 18.603 19.000 -0.037 0.000 0.819 178 A HN 0.542 nan 8.150 nan 0.000 0.442 179 K N -0.225 120.202 120.400 0.045 0.000 2.057 179 K HA -0.040 4.280 4.320 -0.000 0.000 0.206 179 K C 1.795 178.475 176.600 0.133 0.000 1.050 179 K CA 1.319 57.659 56.287 0.087 0.000 0.935 179 K CB -0.305 32.216 32.500 0.035 0.000 0.715 179 K HN 0.480 nan 8.250 nan 0.000 0.439 180 I N 1.664 122.284 120.570 0.083 0.000 2.163 180 I HA -0.334 3.836 4.170 -0.000 0.000 0.243 180 I C 1.963 178.128 176.117 0.080 0.000 1.085 180 I CA 1.194 62.536 61.300 0.070 0.000 1.347 180 I CB -0.406 37.620 38.000 0.043 0.000 1.044 180 I HN 0.257 nan 8.210 nan 0.000 0.408 181 N N 0.107 118.859 118.700 0.087 0.000 2.188 181 N HA -0.214 4.526 4.740 -0.000 0.000 0.184 181 N C 1.517 177.088 175.510 0.102 0.000 1.018 181 N CA 1.096 54.190 53.050 0.074 0.000 0.858 181 N CB -0.383 38.146 38.487 0.071 0.000 0.989 181 N HN 0.546 nan 8.380 nan 0.000 0.426 182 W N 2.387 123.679 121.300 -0.015 0.000 2.355 182 W HA -0.157 4.503 4.660 -0.000 0.000 0.309 182 W C 0.737 177.261 176.519 0.008 0.000 1.206 182 W CA 1.220 58.561 57.345 -0.008 0.000 1.284 182 W CB -0.163 29.285 29.460 -0.020 0.000 1.145 182 W HN 0.032 nan 8.180 nan 0.000 0.502 183 D N -0.131 120.356 120.400 0.146 0.000 2.144 183 D HA -0.187 4.453 4.640 -0.000 0.000 0.199 183 D C 2.207 178.484 176.300 -0.039 0.000 0.984 183 D CA 1.380 55.408 54.000 0.047 0.000 0.834 183 D CB -0.550 40.320 40.800 0.115 0.000 0.955 183 D HN 0.210 nan 8.370 nan 0.000 0.465 184 R N 0.615 121.104 120.500 -0.018 0.000 2.081 184 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 184 R C 1.308 177.575 176.300 -0.056 0.000 1.131 184 R CA 1.454 57.538 56.100 -0.026 0.000 0.960 184 R CB 0.076 30.367 30.300 -0.014 0.000 0.856 184 R HN 0.039 nan 8.270 nan 0.000 0.436 185 D N 0.494 120.818 120.400 -0.127 0.000 2.117 185 D HA -0.145 4.495 4.640 -0.000 0.000 0.198 185 D C 1.940 178.130 176.300 -0.183 0.000 0.982 185 D CA 0.863 54.762 54.000 -0.169 0.000 0.828 185 D CB -0.121 40.531 40.800 -0.245 0.000 0.967 185 D HN 0.211 nan 8.370 nan 0.000 0.464 186 I N 1.249 121.606 120.570 -0.356 0.000 2.163 186 I HA -0.231 3.939 4.170 -0.000 0.000 0.243 186 I C 2.428 178.470 176.117 -0.126 0.000 1.085 186 I CA 1.145 62.259 61.300 -0.309 0.000 1.347 186 I CB -0.911 36.862 38.000 -0.379 0.000 1.044 186 I HN 0.171 nan 8.210 nan 0.000 0.408 187 E N 0.453 120.605 120.200 -0.080 0.000 2.085 187 E HA -0.308 4.042 4.350 -0.000 0.000 0.194 187 E C 2.428 179.015 176.600 -0.022 0.000 0.994 187 E CA 1.508 57.887 56.400 -0.035 0.000 0.801 187 E CB -0.402 29.291 29.700 -0.012 0.000 0.743 187 E HN 0.504 nan 8.360 nan 0.000 0.453 188 Y N 0.632 120.865 120.300 -0.110 0.000 2.128 188 Y HA -0.239 4.311 4.550 -0.000 0.000 0.284 188 Y C 2.184 178.023 175.900 -0.101 0.000 1.154 188 Y CA 1.987 60.025 58.100 -0.103 0.000 1.149 188 Y CB -0.116 38.270 38.460 -0.122 0.000 0.976 188 Y HN 0.074 nan 8.280 nan 0.000 0.505 189 M N 0.189 119.703 119.600 -0.144 0.000 2.175 189 M HA -0.129 4.351 4.480 -0.000 0.000 0.264 189 M C 2.505 178.688 176.300 -0.195 0.000 1.063 189 M CA 1.494 56.676 55.300 -0.196 0.000 1.119 189 M CB -1.770 30.796 32.600 -0.056 0.000 1.377 189 M HN 0.502 nan 8.290 nan 0.000 0.415 190 A N 0.483 123.220 122.820 -0.137 0.000 1.892 190 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 190 A C 2.435 179.929 177.584 -0.150 0.000 1.188 190 A CA 2.235 54.206 52.037 -0.109 0.000 0.631 190 A CB -1.533 17.426 19.000 -0.068 0.000 0.822 190 A HN 0.517 nan 8.150 nan 0.000 0.447 191 G N -0.413 108.271 108.800 -0.193 0.000 2.422 191 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.218 191 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.218 191 G C 1.407 176.160 174.900 -0.245 0.000 1.146 191 G CA 0.959 45.939 45.100 -0.200 0.000 0.769 191 G HN 0.376 nan 8.290 nan 0.000 0.547 192 I N 0.759 121.111 120.570 -0.364 0.000 2.264 192 I HA -0.093 4.077 4.170 -0.000 0.000 0.248 192 I C 2.643 178.636 176.117 -0.206 0.000 1.111 192 I CA 1.053 62.158 61.300 -0.324 0.000 1.382 192 I CB -0.688 37.069 38.000 -0.405 0.000 1.060 192 I HN 0.170 nan 8.210 nan 0.000 0.418 193 L N -0.009 121.101 121.223 -0.190 0.000 2.465 193 L HA -0.085 4.255 4.340 -0.000 0.000 0.224 193 L C 1.814 178.588 176.870 -0.159 0.000 1.145 193 L CA 0.691 55.428 54.840 -0.173 0.000 0.834 193 L CB -0.239 41.713 42.059 -0.178 0.000 0.944 193 L HN 0.168 nan 8.230 nan 0.000 0.451 194 E N -0.756 119.359 120.200 -0.140 0.000 2.498 194 E HA 0.088 4.438 4.350 -0.000 0.000 0.203 194 E C -0.025 176.514 176.600 -0.102 0.000 1.013 194 E CA -0.034 56.298 56.400 -0.113 0.000 0.927 194 E CB 0.186 29.828 29.700 -0.096 0.000 1.012 194 E HN 0.195 nan 8.360 nan 0.000 0.482 195 N N 2.659 121.290 118.700 -0.114 0.000 2.420 195 N HA 0.070 4.810 4.740 -0.000 0.000 0.249 195 N C -1.642 173.819 175.510 -0.083 0.000 1.033 195 N CA -1.797 51.195 53.050 -0.096 0.000 0.944 195 N CB 1.397 39.817 38.487 -0.112 0.000 1.113 195 N HN -0.148 nan 8.380 nan 0.000 0.502 196 P HA -0.028 nan 4.420 nan 0.000 0.230 196 P C 0.176 177.444 177.300 -0.052 0.000 1.158 196 P CA 0.628 63.692 63.100 -0.059 0.000 0.769 196 P CB 0.517 32.188 31.700 -0.048 0.000 0.807 197 N N 0.005 118.676 118.700 -0.050 0.000 2.515 197 N HA 0.011 4.751 4.740 -0.000 0.000 0.185 197 N C 0.443 175.925 175.510 -0.046 0.000 1.109 197 N CA 0.532 53.557 53.050 -0.042 0.000 0.903 197 N CB 0.224 38.691 38.487 -0.034 0.000 0.969 197 N HN 0.200 nan 8.380 nan 0.000 0.450 198 I N 1.797 122.331 120.570 -0.060 0.000 2.282 198 I HA 0.064 4.234 4.170 -0.000 0.000 0.290 198 I C 1.275 177.353 176.117 -0.065 0.000 1.090 198 I CA 0.267 61.530 61.300 -0.063 0.000 1.231 198 I CB 0.344 38.296 38.000 -0.080 0.000 1.434 198 I HN -0.036 nan 8.210 nan 0.000 0.487 199 T N -0.127 114.394 114.554 -0.055 0.000 2.975 199 T HA 0.127 4.477 4.350 -0.000 0.000 0.261 199 T C 0.751 175.421 174.700 -0.051 0.000 0.984 199 T CA 0.009 62.077 62.100 -0.053 0.000 0.911 199 T CB 0.301 69.143 68.868 -0.044 0.000 1.127 199 T HN 0.487 nan 8.240 nan 0.000 0.514 200 T N -1.227 113.297 114.554 -0.050 0.000 2.938 200 T HA 0.693 5.043 4.350 -0.000 0.000 0.285 200 T C 0.963 175.633 174.700 -0.050 0.000 1.028 200 T CA -0.039 62.031 62.100 -0.050 0.000 1.005 200 T CB 1.124 69.960 68.868 -0.053 0.000 1.157 200 T HN 1.118 nan 8.240 nan 0.000 0.550 201 G N 0.465 109.235 108.800 -0.050 0.000 2.633 201 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.263 201 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.263 201 G C 0.537 175.411 174.900 -0.044 0.000 1.310 201 G CA 0.233 45.306 45.100 -0.045 0.000 0.914 201 G HN 1.349 nan 8.290 nan 0.000 0.569 202 L N -0.693 120.509 121.223 -0.035 0.000 2.012 202 L HA -0.015 4.325 4.340 -0.000 0.000 0.210 202 L C 2.972 179.812 176.870 -0.051 0.000 1.073 202 L CA 3.198 58.008 54.840 -0.050 0.000 0.748 202 L CB -0.498 41.531 42.059 -0.051 0.000 0.891 202 L HN 0.618 nan 8.230 nan 0.000 0.431 203 M N -0.975 118.605 119.600 -0.034 0.000 2.288 203 M HA 0.064 4.544 4.480 -0.000 0.000 0.266 203 M C 2.271 178.524 176.300 -0.080 0.000 1.072 203 M CA 1.207 56.478 55.300 -0.049 0.000 1.132 203 M CB -2.188 30.390 32.600 -0.038 0.000 1.386 203 M HN 0.357 nan 8.290 nan 0.000 0.432 204 G N -0.049 108.709 108.800 -0.071 0.000 2.418 204 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 204 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 204 G C 1.587 176.432 174.900 -0.091 0.000 1.158 204 G CA 1.174 46.227 45.100 -0.079 0.000 0.771 204 G HN 0.435 nan 8.290 nan 0.000 0.545 205 E N 0.481 120.631 120.200 -0.084 0.000 2.028 205 E HA -0.012 4.338 4.350 -0.000 0.000 0.191 205 E C 2.575 179.097 176.600 -0.130 0.000 0.988 205 E CA 0.690 57.034 56.400 -0.094 0.000 0.799 205 E CB -0.482 29.173 29.700 -0.076 0.000 0.755 205 E HN 0.407 nan 8.360 nan 0.000 0.447 206 L N 0.132 121.287 121.223 -0.114 0.000 2.042 206 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 206 L C 2.651 179.317 176.870 -0.340 0.000 1.076 206 L CA 1.436 56.197 54.840 -0.132 0.000 0.749 206 L CB -0.675 41.401 42.059 0.029 0.000 0.893 206 L HN 0.190 nan 8.230 nan 0.000 0.432 207 S N -0.152 115.393 115.700 -0.259 0.000 2.370 207 S HA -0.192 4.278 4.470 -0.000 0.000 0.226 207 S C 2.134 176.575 174.600 -0.265 0.000 1.033 207 S CA 1.291 59.321 58.200 -0.283 0.000 1.011 207 S CB -0.069 63.018 63.200 -0.188 0.000 0.852 207 S HN 0.338 nan 8.310 nan 0.000 0.457 208 R N 0.305 120.687 120.500 -0.197 0.000 2.073 208 R HA 0.010 4.350 4.340 -0.000 0.000 0.234 208 R C 2.377 178.574 176.300 -0.173 0.000 1.134 208 R CA 1.652 57.662 56.100 -0.151 0.000 0.952 208 R CB -0.554 29.684 30.300 -0.103 0.000 0.850 208 R HN 0.421 nan 8.270 nan 0.000 0.433 209 L N 0.041 121.111 121.223 -0.254 0.000 2.141 209 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 209 L C 2.697 179.408 176.870 -0.265 0.000 1.094 209 L CA 1.001 55.646 54.840 -0.324 0.000 0.763 209 L CB -0.383 41.297 42.059 -0.630 0.000 0.908 209 L HN 0.168 nan 8.230 nan 0.000 0.437 210 R N 0.909 121.072 120.500 -0.562 0.000 2.152 210 R HA -0.154 4.186 4.340 -0.000 0.000 0.232 210 R C 1.929 178.095 176.300 -0.223 0.000 1.117 210 R CA 1.218 56.927 56.100 -0.652 0.000 0.981 210 R CB 0.081 29.694 30.300 -1.146 0.000 0.870 210 R HN 0.234 nan 8.270 nan 0.000 0.451 211 K N -0.001 120.296 120.400 -0.172 0.000 2.487 211 K HA -0.022 4.298 4.320 -0.000 0.000 0.192 211 K C -0.194 176.407 176.600 0.001 0.000 1.027 211 K CA 0.135 56.375 56.287 -0.078 0.000 1.054 211 K CB 0.237 32.685 32.500 -0.086 0.000 0.824 211 K HN 0.093 nan 8.250 nan 0.000 0.510 212 D N 0.579 121.018 120.400 0.064 0.000 2.232 212 D HA 0.070 4.710 4.640 -0.000 0.000 0.242 212 D C -1.795 174.606 176.300 0.169 0.000 1.093 212 D CA -2.401 51.685 54.000 0.144 0.000 0.845 212 D CB 1.675 42.638 40.800 0.271 0.000 1.124 212 D HN -0.126 nan 8.370 nan 0.000 0.467 213 P HA -0.070 nan 4.420 nan 0.000 0.225 213 P C 0.935 178.286 177.300 0.085 0.000 1.148 213 P CA 0.469 63.624 63.100 0.091 0.000 0.779 213 P CB 0.137 31.869 31.700 0.054 0.000 0.780 214 A N -1.304 121.542 122.820 0.043 0.000 2.178 214 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 214 A C 0.849 178.263 177.584 -0.285 0.000 1.157 214 A CA 0.960 52.919 52.037 -0.130 0.000 0.689 214 A CB -1.305 17.551 19.000 -0.239 0.000 0.787 214 A HN 0.244 nan 8.150 nan 0.000 0.465 215 Y N -1.222 119.173 120.300 0.157 0.000 2.715 215 Y HA 0.208 4.758 4.550 -0.000 0.000 0.255 215 Y C 1.749 177.664 175.900 0.025 0.000 1.139 215 Y CA 0.034 58.170 58.100 0.059 0.000 1.151 215 Y CB 0.140 38.677 38.460 0.129 0.000 1.201 215 Y HN 0.176 nan 8.280 nan 0.000 0.556 216 S N -0.549 115.287 115.700 0.226 0.000 2.428 216 S HA -0.171 4.299 4.470 -0.000 0.000 0.230 216 S C 1.774 176.472 174.600 0.163 0.000 1.014 216 S CA 1.351 59.659 58.200 0.180 0.000 0.957 216 S CB -0.366 62.926 63.200 0.154 0.000 0.784 216 S HN 0.686 nan 8.310 nan 0.000 0.499 217 H N 0.533 119.651 119.070 0.080 0.000 2.547 217 H HA 0.208 4.764 4.556 -0.000 0.000 0.272 217 H C 0.362 175.727 175.328 0.062 0.000 0.989 217 H CA 0.198 56.279 56.048 0.055 0.000 1.214 217 H CB -0.833 28.944 29.762 0.025 0.000 1.389 217 H HN 0.169 nan 8.280 nan 0.000 0.577 218 V N 3.206 122.960 119.914 -0.267 0.000 2.465 218 V HA 0.117 4.237 4.120 -0.000 0.000 0.279 218 V C 0.625 176.687 176.094 -0.052 0.000 1.045 218 V CA -0.427 61.733 62.300 -0.232 0.000 0.938 218 V CB 1.421 33.028 31.823 -0.360 0.000 0.986 218 V HN 0.546 nan 8.190 nan 0.000 0.467 219 S N 2.381 118.036 115.700 -0.076 0.000 2.564 219 S HA 0.111 4.581 4.470 -0.000 0.000 0.278 219 S C 0.718 175.387 174.600 0.114 0.000 1.333 219 S CA -0.551 57.663 58.200 0.024 0.000 1.048 219 S CB 0.901 64.109 63.200 0.014 0.000 0.900 219 S HN 0.696 nan 8.310 nan 0.000 0.505 220 D N 1.272 121.784 120.400 0.187 0.000 2.182 220 D HA -0.145 4.495 4.640 -0.000 0.000 0.201 220 D C 1.708 178.113 176.300 0.175 0.000 0.986 220 D CA 1.505 55.649 54.000 0.240 0.000 0.847 220 D CB -0.240 40.631 40.800 0.120 0.000 0.942 220 D HN 0.908 nan 8.370 nan 0.000 0.467 221 E N -0.192 120.069 120.200 0.102 0.000 2.058 221 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 221 E C 2.078 178.720 176.600 0.069 0.000 0.997 221 E CA 0.654 57.104 56.400 0.083 0.000 0.801 221 E CB -0.092 29.655 29.700 0.079 0.000 0.746 221 E HN 0.129 nan 8.360 nan 0.000 0.450 222 L N 0.129 121.350 121.223 -0.004 0.000 2.056 222 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 222 L C 1.965 178.779 176.870 -0.094 0.000 1.078 222 L CA 1.627 56.415 54.840 -0.087 0.000 0.749 222 L CB -0.628 41.291 42.059 -0.233 0.000 0.901 222 L HN 0.177 nan 8.230 nan 0.000 0.433 223 F N -0.084 119.857 119.950 -0.015 0.000 2.095 223 F HA -0.264 4.263 4.527 -0.000 0.000 0.298 223 F C 2.528 178.305 175.800 -0.038 0.000 1.104 223 F CA 1.561 59.534 58.000 -0.045 0.000 1.232 223 F CB -0.928 38.032 39.000 -0.068 0.000 0.987 223 F HN 0.211 nan 8.300 nan 0.000 0.475 224 A N -0.606 122.307 122.820 0.154 0.000 1.930 224 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 224 A C 2.149 179.741 177.584 0.014 0.000 1.175 224 A CA 2.019 54.082 52.037 0.044 0.000 0.627 224 A CB -1.233 17.764 19.000 -0.005 0.000 0.815 224 A HN 0.345 nan 8.150 nan 0.000 0.443 225 T N 0.545 115.133 114.554 0.056 0.000 2.746 225 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 225 T C 1.749 176.555 174.700 0.176 0.000 1.039 225 T CA 1.587 63.759 62.100 0.120 0.000 1.142 225 T CB -0.448 68.554 68.868 0.223 0.000 0.866 225 T HN 0.450 nan 8.240 nan 0.000 0.444 226 I N 1.152 121.808 120.570 0.142 0.000 2.208 226 I HA -0.129 4.041 4.170 -0.000 0.000 0.245 226 I C 2.868 179.106 176.117 0.202 0.000 1.097 226 I CA 1.360 62.757 61.300 0.162 0.000 1.363 226 I CB -0.688 37.302 38.000 -0.017 0.000 1.051 226 I HN 0.307 nan 8.210 nan 0.000 0.413 227 G N 0.373 109.251 108.800 0.131 0.000 2.402 227 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.216 227 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.216 227 G C 1.689 176.725 174.900 0.226 0.000 1.162 227 G CA 0.916 46.112 45.100 0.160 0.000 0.777 227 G HN 0.255 nan 8.290 nan 0.000 0.539 228 V N 1.804 121.786 119.914 0.113 0.000 2.358 228 V HA -0.175 3.945 4.120 -0.000 0.000 0.246 228 V C 3.328 179.588 176.094 0.276 0.000 1.047 228 V CA 2.410 64.748 62.300 0.064 0.000 1.035 228 V CB -1.082 30.518 31.823 -0.372 0.000 0.658 228 V HN 0.643 nan 8.190 nan 0.000 0.452 229 T N -1.562 113.201 114.554 0.349 0.000 2.737 229 T HA -0.185 4.165 4.350 -0.000 0.000 0.265 229 T C 1.816 176.736 174.700 0.366 0.000 1.038 229 T CA 1.558 63.905 62.100 0.411 0.000 1.144 229 T CB -0.618 68.502 68.868 0.421 0.000 0.866 229 T HN 0.281 nan 8.240 nan 0.000 0.434 230 F N 0.717 120.803 119.950 0.227 0.000 2.186 230 F HA 0.199 4.726 4.527 -0.000 0.000 0.299 230 F C 2.075 178.012 175.800 0.229 0.000 1.090 230 F CA 0.000 58.127 58.000 0.210 0.000 1.307 230 F CB -0.876 38.236 39.000 0.187 0.000 1.019 230 F HN 0.149 nan 8.300 nan 0.000 0.489 231 F N 0.600 120.737 119.950 0.312 0.000 2.095 231 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 231 F C 2.363 178.206 175.800 0.072 0.000 1.104 231 F CA 1.851 59.970 58.000 0.197 0.000 1.232 231 F CB -0.837 38.271 39.000 0.179 0.000 0.987 231 F HN -0.056 nan 8.300 nan 0.000 0.475 232 G N -0.454 108.550 108.800 0.340 0.000 2.414 232 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.215 232 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.215 232 G C 1.804 176.733 174.900 0.048 0.000 1.188 232 G CA 0.737 46.039 45.100 0.337 0.000 0.783 232 G HN 0.590 nan 8.290 nan 0.000 0.537 233 A N 0.766 123.650 122.820 0.106 0.000 1.902 233 A HA 0.143 4.463 4.320 -0.000 0.000 0.217 233 A C 2.654 180.081 177.584 -0.262 0.000 1.181 233 A CA 2.226 54.217 52.037 -0.077 0.000 0.623 233 A CB -0.996 17.970 19.000 -0.057 0.000 0.818 233 A HN 0.528 nan 8.150 nan 0.000 0.443 234 G N -0.900 107.733 108.800 -0.278 0.000 2.396 234 G HA2 0.006 3.966 3.960 -0.000 0.000 0.214 234 G HA3 0.006 3.966 3.960 -0.000 0.000 0.214 234 G C 1.500 175.944 174.900 -0.760 0.000 1.166 234 G CA 1.044 45.946 45.100 -0.330 0.000 0.793 234 G HN 0.290 nan 8.290 nan 0.000 0.533 235 V N 0.901 120.160 119.914 -1.092 0.000 2.295 235 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 235 V C 2.620 178.472 176.094 -0.403 0.000 1.049 235 V CA 1.570 63.389 62.300 -0.801 0.000 1.024 235 V CB -0.382 30.946 31.823 -0.824 0.000 0.648 235 V HN 0.322 nan 8.190 nan 0.000 0.447 236 I N 0.001 120.311 120.570 -0.433 0.000 2.286 236 I HA -0.186 3.984 4.170 -0.000 0.000 0.248 236 I C 2.475 178.402 176.117 -0.316 0.000 1.115 236 I CA 1.620 62.673 61.300 -0.412 0.000 1.392 236 I CB -0.239 37.227 38.000 -0.889 0.000 1.065 236 I HN 0.226 nan 8.210 nan 0.000 0.418 237 S N -0.527 114.982 115.700 -0.317 0.000 2.357 237 S HA -0.164 4.306 4.470 -0.000 0.000 0.221 237 S C 1.998 176.591 174.600 -0.013 0.000 1.031 237 S CA 1.762 59.879 58.200 -0.139 0.000 0.982 237 S CB -0.775 62.385 63.200 -0.066 0.000 0.853 237 S HN 0.705 nan 8.310 nan 0.000 0.458 238 T N 0.359 114.853 114.554 -0.100 0.000 2.812 238 T HA 0.030 4.380 4.350 -0.000 0.000 0.264 238 T C 2.054 176.708 174.700 -0.077 0.000 1.042 238 T CA 1.250 63.266 62.100 -0.140 0.000 1.140 238 T CB -1.060 67.479 68.868 -0.549 0.000 0.870 238 T HN 0.364 nan 8.240 nan 0.000 0.445 239 G N 1.034 109.770 108.800 -0.105 0.000 2.418 239 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.217 239 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.217 239 G C 1.872 176.798 174.900 0.044 0.000 1.158 239 G CA 0.973 46.072 45.100 -0.000 0.000 0.771 239 G HN 0.559 nan 8.290 nan 0.000 0.545 240 S N 0.116 115.843 115.700 0.044 0.000 2.377 240 S HA 0.009 4.479 4.470 -0.000 0.000 0.223 240 S C 1.860 176.533 174.600 0.122 0.000 1.030 240 S CA 0.691 58.937 58.200 0.076 0.000 0.970 240 S CB -0.318 62.915 63.200 0.055 0.000 0.830 240 S HN 0.380 nan 8.310 nan 0.000 0.473 241 F N 2.685 122.657 119.950 0.036 0.000 2.102 241 F HA -0.066 4.461 4.527 -0.000 0.000 0.298 241 F C 1.875 177.727 175.800 0.086 0.000 1.105 241 F CA 0.890 58.927 58.000 0.061 0.000 1.239 241 F CB -0.646 38.388 39.000 0.056 0.000 0.991 241 F HN 0.143 nan 8.300 nan 0.000 0.474 242 L N 0.298 121.437 121.223 -0.141 0.000 2.046 242 L HA -0.166 4.173 4.340 -0.000 0.000 0.208 242 L C 2.265 179.035 176.870 -0.167 0.000 1.077 242 L CA 2.499 57.219 54.840 -0.201 0.000 0.747 242 L CB -1.408 40.695 42.059 0.074 0.000 0.896 242 L HN 0.226 nan 8.230 nan 0.000 0.432 243 T N -1.044 113.472 114.554 -0.063 0.000 2.674 243 T HA -0.183 4.166 4.350 -0.000 0.000 0.265 243 T C 1.715 176.398 174.700 -0.029 0.000 1.039 243 T CA 2.169 64.259 62.100 -0.017 0.000 1.150 243 T CB -0.616 68.263 68.868 0.019 0.000 0.864 243 T HN 0.673 nan 8.240 nan 0.000 0.427 244 T N 0.571 115.105 114.554 -0.034 0.000 2.985 244 T HA 0.235 4.585 4.350 -0.000 0.000 0.266 244 T C 2.248 176.898 174.700 -0.083 0.000 1.076 244 T CA 0.844 62.959 62.100 0.024 0.000 1.135 244 T CB -0.427 68.514 68.868 0.123 0.000 0.890 244 T HN 0.316 nan 8.240 nan 0.000 0.480 245 A N 1.816 124.440 122.820 -0.326 0.000 1.902 245 A HA 0.171 4.491 4.320 -0.000 0.000 0.217 245 A C 2.371 179.863 177.584 -0.153 0.000 1.181 245 A CA 1.127 52.952 52.037 -0.352 0.000 0.623 245 A CB -0.929 17.588 19.000 -0.804 0.000 0.818 245 A HN 0.520 nan 8.150 nan 0.000 0.443 246 L N -0.513 120.640 121.223 -0.115 0.000 2.079 246 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 246 L C 2.470 179.337 176.870 -0.006 0.000 1.081 246 L CA 1.290 56.109 54.840 -0.036 0.000 0.752 246 L CB -0.534 41.527 42.059 0.003 0.000 0.896 246 L HN 0.399 nan 8.230 nan 0.000 0.433 247 I N -0.880 119.697 120.570 0.013 0.000 2.142 247 I HA -0.301 3.869 4.170 -0.000 0.000 0.240 247 I C 2.646 178.791 176.117 0.046 0.000 1.078 247 I CA 1.330 62.661 61.300 0.053 0.000 1.343 247 I CB -0.360 37.711 38.000 0.119 0.000 1.046 247 I HN 0.172 nan 8.210 nan 0.000 0.405 248 S N 0.971 116.692 115.700 0.034 0.000 2.374 248 S HA -0.199 4.271 4.470 -0.000 0.000 0.227 248 S C 2.009 176.624 174.600 0.026 0.000 1.037 248 S CA 1.404 59.626 58.200 0.036 0.000 1.024 248 S CB -0.482 62.736 63.200 0.029 0.000 0.861 248 S HN 0.326 nan 8.310 nan 0.000 0.456 249 L N 0.773 122.002 121.223 0.010 0.000 1.994 249 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 249 L C 2.297 179.176 176.870 0.015 0.000 1.071 249 L CA 1.451 56.297 54.840 0.010 0.000 0.745 249 L CB -0.554 41.505 42.059 -0.000 0.000 0.892 249 L HN 0.316 nan 8.230 nan 0.000 0.431 250 I N -0.523 120.056 120.570 0.015 0.000 2.264 250 I HA -0.353 3.817 4.170 -0.000 0.000 0.248 250 I C 2.436 178.569 176.117 0.026 0.000 1.111 250 I CA 1.387 62.698 61.300 0.019 0.000 1.382 250 I CB -0.251 37.762 38.000 0.022 0.000 1.060 250 I HN 0.388 nan 8.210 nan 0.000 0.418 251 Q N 0.324 120.145 119.800 0.034 0.000 2.369 251 Q HA -0.026 4.314 4.340 -0.000 0.000 0.206 251 Q C 0.457 176.476 176.000 0.032 0.000 0.963 251 Q CA 0.671 56.496 55.803 0.038 0.000 0.894 251 Q CB 0.136 28.903 28.738 0.048 0.000 0.965 251 Q HN 0.437 nan 8.270 nan 0.000 0.475 252 R N 0.829 121.346 120.500 0.029 0.000 2.587 252 R HA 0.157 4.497 4.340 -0.000 0.000 0.283 252 R C -2.031 174.283 176.300 0.023 0.000 1.472 252 R CA -1.372 54.744 56.100 0.027 0.000 1.578 252 R CB 0.837 31.155 30.300 0.029 0.000 1.130 252 R HN 0.013 nan 8.270 nan 0.000 0.602 253 P HA -0.186 nan 4.420 nan 0.000 0.222 253 P C 0.681 177.995 177.300 0.022 0.000 1.147 253 P CA 1.159 64.270 63.100 0.018 0.000 0.790 253 P CB 0.466 32.175 31.700 0.016 0.000 0.780 254 Q N -0.899 118.916 119.800 0.024 0.000 2.123 254 Q HA -0.092 4.248 4.340 -0.000 0.000 0.199 254 Q C 2.154 178.172 176.000 0.030 0.000 0.966 254 Q CA 0.732 56.550 55.803 0.026 0.000 0.845 254 Q CB -0.542 28.210 28.738 0.023 0.000 0.907 254 Q HN 0.156 nan 8.270 nan 0.000 0.439 255 L N 0.933 122.173 121.223 0.028 0.000 2.056 255 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 255 L C 2.346 179.238 176.870 0.036 0.000 1.078 255 L CA 1.666 56.524 54.840 0.030 0.000 0.749 255 L CB -0.445 41.629 42.059 0.026 0.000 0.901 255 L HN 0.056 nan 8.230 nan 0.000 0.433 256 R N -0.393 120.126 120.500 0.032 0.000 2.097 256 R HA -0.232 4.108 4.340 -0.000 0.000 0.236 256 R C 2.040 178.378 176.300 0.063 0.000 1.135 256 R CA 2.148 58.268 56.100 0.034 0.000 0.934 256 R CB -0.388 29.921 30.300 0.014 0.000 0.846 256 R HN 0.466 nan 8.270 nan 0.000 0.431 257 N N 0.850 119.585 118.700 0.059 0.000 2.120 257 N HA -0.184 4.556 4.740 -0.000 0.000 0.188 257 N C 1.691 177.261 175.510 0.100 0.000 1.024 257 N CA 1.038 54.143 53.050 0.091 0.000 0.852 257 N CB -0.463 38.061 38.487 0.062 0.000 1.003 257 N HN 0.188 nan 8.380 nan 0.000 0.424 258 L N 1.222 122.483 121.223 0.063 0.000 1.994 258 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 258 L C 1.970 178.866 176.870 0.044 0.000 1.071 258 L CA 1.429 56.296 54.840 0.045 0.000 0.745 258 L CB -0.697 41.382 42.059 0.034 0.000 0.892 258 L HN 0.117 nan 8.230 nan 0.000 0.431 259 L N -1.200 120.056 121.223 0.056 0.000 2.141 259 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 259 L C 2.653 179.565 176.870 0.070 0.000 1.094 259 L CA 1.380 56.253 54.840 0.054 0.000 0.763 259 L CB -1.004 41.089 42.059 0.056 0.000 0.908 259 L HN 0.530 nan 8.230 nan 0.000 0.437 260 H N 0.668 119.740 119.070 0.002 0.000 2.326 260 H HA -0.220 4.336 4.556 -0.000 0.000 0.301 260 H C 2.136 177.464 175.328 -0.000 0.000 1.081 260 H CA 2.001 58.047 56.048 -0.003 0.000 1.334 260 H CB 0.352 30.110 29.762 -0.005 0.000 1.385 260 H HN 0.398 nan 8.280 nan 0.000 0.504 261 E N 0.632 120.770 120.200 -0.104 0.000 2.204 261 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 261 E C 0.031 176.570 176.600 -0.101 0.000 0.989 261 E CA 0.828 57.146 56.400 -0.138 0.000 0.824 261 E CB 0.287 29.969 29.700 -0.031 0.000 0.756 261 E HN 0.301 nan 8.360 nan 0.000 0.477 262 K N 0.208 120.575 120.400 -0.054 0.000 2.827 262 K HA 0.195 4.515 4.320 -0.000 0.000 0.186 262 K C -2.420 174.170 176.600 -0.017 0.000 1.093 262 K CA -1.502 54.766 56.287 -0.032 0.000 0.993 262 K CB 1.828 34.321 32.500 -0.011 0.000 1.199 262 K HN -0.043 nan 8.250 nan 0.000 0.598 263 P HA -0.215 nan 4.420 nan 0.000 0.226 263 P C 1.065 178.370 177.300 0.008 0.000 1.153 263 P CA 0.877 63.973 63.100 -0.006 0.000 0.777 263 P CB 0.256 31.946 31.700 -0.017 0.000 0.794 264 E N 0.618 120.820 120.200 0.004 0.000 2.333 264 E HA -0.137 4.213 4.350 -0.000 0.000 0.198 264 E C 1.378 177.991 176.600 0.022 0.000 1.007 264 E CA 0.964 57.372 56.400 0.013 0.000 0.845 264 E CB -1.060 28.645 29.700 0.009 0.000 0.766 264 E HN 0.330 nan 8.360 nan 0.000 0.507 265 L N 0.510 121.746 121.223 0.022 0.000 2.591 265 L HA 0.164 4.504 4.340 -0.000 0.000 0.228 265 L C 2.343 179.237 176.870 0.040 0.000 1.133 265 L CA -0.113 54.744 54.840 0.029 0.000 0.880 265 L CB -0.264 41.810 42.059 0.025 0.000 1.033 265 L HN 0.003 nan 8.230 nan 0.000 0.450 266 I N 0.887 121.481 120.570 0.041 0.000 2.163 266 I HA -0.219 3.951 4.170 -0.000 0.000 0.243 266 I C -0.212 175.947 176.117 0.069 0.000 1.085 266 I CA 1.590 62.922 61.300 0.053 0.000 1.347 266 I CB -1.294 36.736 38.000 0.050 0.000 1.044 266 I HN 0.235 nan 8.210 nan 0.000 0.408 267 P HA -0.200 nan 4.420 nan 0.000 0.215 267 P C 1.463 178.816 177.300 0.089 0.000 1.157 267 P CA 2.007 65.158 63.100 0.086 0.000 0.874 267 P CB -0.043 31.703 31.700 0.076 0.000 0.790 268 A N -0.409 122.454 122.820 0.071 0.000 1.930 268 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 268 A C 2.484 180.105 177.584 0.062 0.000 1.175 268 A CA 1.870 53.947 52.037 0.067 0.000 0.627 268 A CB -1.833 17.198 19.000 0.053 0.000 0.815 268 A HN 0.264 nan 8.150 nan 0.000 0.443 269 G N -0.285 108.549 108.800 0.058 0.000 2.459 269 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.217 269 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.217 269 G C 1.511 176.453 174.900 0.071 0.000 1.183 269 G CA 1.378 46.510 45.100 0.053 0.000 0.776 269 G HN 0.318 nan 8.290 nan 0.000 0.552 270 V N 0.634 120.609 119.914 0.103 0.000 2.407 270 V HA -0.127 3.993 4.120 -0.000 0.000 0.248 270 V C 2.652 178.836 176.094 0.149 0.000 1.055 270 V CA 2.181 64.579 62.300 0.164 0.000 1.049 270 V CB -0.306 31.637 31.823 0.200 0.000 0.662 270 V HN 0.395 nan 8.190 nan 0.000 0.455 271 E N 0.140 120.408 120.200 0.113 0.000 2.110 271 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 271 E C 2.259 178.843 176.600 -0.027 0.000 0.988 271 E CA 1.177 57.630 56.400 0.088 0.000 0.804 271 E CB -0.124 29.668 29.700 0.153 0.000 0.745 271 E HN 0.503 nan 8.360 nan 0.000 0.458 272 E N -0.161 120.029 120.200 -0.017 0.000 2.107 272 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 272 E C 2.228 178.766 176.600 -0.104 0.000 0.982 272 E CA 0.576 56.922 56.400 -0.090 0.000 0.809 272 E CB -0.158 29.510 29.700 -0.054 0.000 0.756 272 E HN 0.356 nan 8.360 nan 0.000 0.459 273 L N 0.500 121.725 121.223 0.003 0.000 2.083 273 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 273 L C 2.592 179.548 176.870 0.144 0.000 1.083 273 L CA 0.701 55.587 54.840 0.078 0.000 0.752 273 L CB -0.462 41.676 42.059 0.131 0.000 0.899 273 L HN 0.111 nan 8.230 nan 0.000 0.433 274 L N -0.423 120.820 121.223 0.034 0.000 2.012 274 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 274 L C 2.886 179.433 176.870 -0.539 0.000 1.073 274 L CA 1.463 56.077 54.840 -0.377 0.000 0.748 274 L CB -0.496 41.140 42.059 -0.705 0.000 0.891 274 L HN 0.248 nan 8.230 nan 0.000 0.431 275 R N 0.966 121.096 120.500 -0.618 0.000 2.081 275 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 275 R C 2.077 178.090 176.300 -0.478 0.000 1.131 275 R CA 1.850 57.580 56.100 -0.617 0.000 0.960 275 R CB -0.323 29.612 30.300 -0.609 0.000 0.856 275 R HN 0.562 nan 8.270 nan 0.000 0.436 276 I N -0.282 120.069 120.570 -0.365 0.000 3.735 276 I HA 0.120 4.290 4.170 -0.000 0.000 0.310 276 I C -0.298 175.887 176.117 0.113 0.000 1.270 276 I CA -0.548 60.589 61.300 -0.272 0.000 1.207 276 I CB -0.523 37.383 38.000 -0.156 0.000 1.013 276 I HN 0.044 nan 8.210 nan 0.000 0.452 277 N N 1.583 120.328 118.700 0.075 0.000 2.520 277 N HA 0.234 4.974 4.740 -0.000 0.000 0.273 277 N C -0.080 175.545 175.510 0.191 0.000 1.155 277 N CA -0.393 52.770 53.050 0.188 0.000 0.967 277 N CB 1.079 39.765 38.487 0.332 0.000 1.092 277 N HN 0.333 nan 8.380 nan 0.000 0.457 278 L N 1.954 123.289 121.223 0.187 0.000 3.017 278 L HA 0.189 4.529 4.340 -0.000 0.000 0.255 278 L C 1.565 178.530 176.870 0.158 0.000 1.247 278 L CA -0.270 54.658 54.840 0.146 0.000 1.038 278 L CB -0.204 41.893 42.059 0.064 0.000 1.380 278 L HN 0.821 nan 8.230 nan 0.000 0.548 279 S N -0.438 115.396 115.700 0.224 0.000 2.402 279 S HA -0.038 4.432 4.470 -0.000 0.000 0.229 279 S C 0.662 175.357 174.600 0.158 0.000 1.021 279 S CA 0.408 58.733 58.200 0.209 0.000 0.974 279 S CB -0.328 63.019 63.200 0.246 0.000 0.800 279 S HN 0.171 nan 8.310 nan 0.000 0.484 280 F N 2.236 122.205 119.950 0.031 0.000 2.506 280 F HA 0.571 5.098 4.527 -0.000 0.000 0.371 280 F C 1.493 177.297 175.800 0.006 0.000 1.078 280 F CA -0.620 57.383 58.000 0.005 0.000 1.195 280 F CB 0.657 39.645 39.000 -0.019 0.000 1.099 280 F HN 0.209 nan 8.300 nan 0.000 0.548 281 A N 2.494 125.348 122.820 0.056 0.000 2.014 281 A HA -0.012 4.308 4.320 -0.000 0.000 0.218 281 A C 0.484 178.083 177.584 0.024 0.000 1.163 281 A CA 1.001 53.060 52.037 0.038 0.000 0.652 281 A CB -0.309 18.704 19.000 0.021 0.000 0.808 281 A HN 0.625 nan 8.150 nan 0.000 0.449 282 D N -1.670 118.762 120.400 0.053 0.000 2.547 282 D HA 0.444 5.084 4.640 -0.000 0.000 0.231 282 D C 0.173 176.512 176.300 0.064 0.000 1.099 282 D CA -0.073 53.938 54.000 0.017 0.000 0.901 282 D CB 1.356 42.153 40.800 -0.005 0.000 1.478 282 D HN 0.162 nan 8.370 nan 0.000 0.471 283 G N 0.247 109.050 108.800 0.005 0.000 2.647 283 G HA2 0.261 4.221 3.960 -0.000 0.000 0.234 283 G HA3 0.261 4.221 3.960 -0.000 0.000 0.234 283 G C 0.231 175.147 174.900 0.026 0.000 1.252 283 G CA -0.329 44.775 45.100 0.007 0.000 0.846 283 G HN 0.357 nan 8.290 nan 0.000 0.589 284 L N 3.079 124.300 121.223 -0.003 0.000 2.360 284 L HA 0.265 4.605 4.340 -0.000 0.000 0.276 284 L C -1.681 175.180 176.870 -0.014 0.000 1.121 284 L CA -1.566 53.272 54.840 -0.003 0.000 0.845 284 L CB 1.322 43.348 42.059 -0.054 0.000 1.143 284 L HN 0.363 nan 8.230 nan 0.000 0.452 285 P HA 0.368 nan 4.420 nan 0.000 0.290 285 P C -1.082 176.217 177.300 -0.002 0.000 1.276 285 P CA -0.642 62.453 63.100 -0.008 0.000 0.808 285 P CB 1.627 33.319 31.700 -0.013 0.000 0.966 286 R N 2.178 122.698 120.500 0.033 0.000 2.771 286 R HA 0.582 4.922 4.340 -0.000 0.000 0.274 286 R C -0.970 175.413 176.300 0.139 0.000 0.987 286 R CA -1.194 54.960 56.100 0.090 0.000 0.908 286 R CB 1.662 32.044 30.300 0.135 0.000 1.213 286 R HN 0.425 nan 8.270 nan 0.000 0.468 287 L N 1.401 122.711 121.223 0.145 0.000 2.305 287 L HA 0.566 4.906 4.340 -0.000 0.000 0.284 287 L C -0.276 176.688 176.870 0.156 0.000 1.013 287 L CA -0.358 54.565 54.840 0.137 0.000 0.819 287 L CB 1.659 43.760 42.059 0.070 0.000 1.227 287 L HN 0.827 nan 8.230 nan 0.000 0.417 288 A N 2.444 125.375 122.820 0.186 0.000 2.492 288 A HA 0.409 4.729 4.320 -0.000 0.000 0.254 288 A C 0.976 178.529 177.584 -0.052 0.000 1.091 288 A CA 0.457 52.504 52.037 0.017 0.000 0.768 288 A CB -0.122 18.935 19.000 0.095 0.000 1.028 288 A HN 0.876 nan 8.150 nan 0.000 0.498 289 T N -0.872 113.598 114.554 -0.140 0.000 3.092 289 T HA 0.583 4.933 4.350 -0.000 0.000 0.258 289 T C 0.321 174.959 174.700 -0.102 0.000 1.031 289 T CA 0.542 62.590 62.100 -0.087 0.000 0.925 289 T CB -0.239 68.588 68.868 -0.069 0.000 1.036 289 T HN 1.680 nan 8.240 nan 0.000 0.544 290 A N 0.606 123.336 122.820 -0.150 0.000 2.599 290 A HA 0.620 4.940 4.320 -0.000 0.000 0.290 290 A C -1.845 175.670 177.584 -0.116 0.000 1.101 290 A CA -0.964 51.001 52.037 -0.120 0.000 0.674 290 A CB 0.819 19.737 19.000 -0.136 0.000 1.277 290 A HN 0.195 nan 8.150 nan 0.000 0.419 291 D N 0.754 121.112 120.400 -0.069 0.000 2.348 291 D HA 0.547 5.187 4.640 -0.000 0.000 0.253 291 D C -0.582 175.678 176.300 -0.067 0.000 1.161 291 D CA 0.960 54.932 54.000 -0.047 0.000 0.876 291 D CB 0.615 41.402 40.800 -0.021 0.000 1.160 291 D HN 0.404 nan 8.370 nan 0.000 0.459 292 I N 1.640 122.178 120.570 -0.053 0.000 2.571 292 I HA 0.074 4.244 4.170 -0.000 0.000 0.289 292 I C -0.315 175.811 176.117 0.015 0.000 1.115 292 I CA -1.023 60.258 61.300 -0.033 0.000 1.045 292 I CB 2.249 40.193 38.000 -0.093 0.000 1.238 292 I HN 0.020 nan 8.210 nan 0.000 0.424 293 Q N 4.783 124.582 119.800 -0.001 0.000 2.297 293 Q HA 0.384 4.724 4.340 -0.000 0.000 0.267 293 Q C -1.260 174.736 176.000 -0.006 0.000 1.006 293 Q CA 0.146 55.935 55.803 -0.023 0.000 0.896 293 Q CB 1.047 29.769 28.738 -0.025 0.000 1.186 293 Q HN 0.468 nan 8.270 nan 0.000 0.392 294 V N 5.405 125.279 119.914 -0.065 0.000 2.340 294 V HA 0.659 4.779 4.120 -0.000 0.000 0.277 294 V C 0.696 176.720 176.094 -0.116 0.000 1.017 294 V CA 0.070 62.320 62.300 -0.084 0.000 0.820 294 V CB 0.251 31.995 31.823 -0.132 0.000 1.028 294 V HN 1.044 nan 8.190 nan 0.000 0.436 295 G N 4.670 113.426 108.800 -0.073 0.000 2.550 295 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.277 295 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.277 295 G C 0.380 175.236 174.900 -0.074 0.000 1.190 295 G CA 0.534 45.596 45.100 -0.064 0.000 0.971 295 G HN 0.565 nan 8.290 nan 0.000 0.559 296 D N 0.190 120.546 120.400 -0.074 0.000 2.378 296 D HA 0.203 4.843 4.640 -0.000 0.000 0.227 296 D C 1.089 177.320 176.300 -0.114 0.000 1.012 296 D CA 0.891 54.850 54.000 -0.069 0.000 0.905 296 D CB 0.160 40.936 40.800 -0.040 0.000 0.895 296 D HN 0.346 nan 8.370 nan 0.000 0.532 297 V N 1.455 121.248 119.914 -0.202 0.000 2.483 297 V HA 0.217 4.337 4.120 -0.000 0.000 0.295 297 V C -0.156 175.764 176.094 -0.290 0.000 1.035 297 V CA -1.010 61.084 62.300 -0.343 0.000 0.896 297 V CB 2.281 33.665 31.823 -0.731 0.000 0.986 297 V HN -0.096 nan 8.190 nan 0.000 0.447 298 L N 6.738 127.826 121.223 -0.225 0.000 2.270 298 L HA 0.482 4.822 4.340 -0.000 0.000 0.286 298 L C -0.171 176.603 176.870 -0.161 0.000 1.059 298 L CA 0.311 55.067 54.840 -0.139 0.000 0.839 298 L CB 1.017 43.041 42.059 -0.058 0.000 1.221 298 L HN 0.453 nan 8.230 nan 0.000 0.431 299 V N 5.975 125.783 119.914 -0.176 0.000 2.555 299 V HA 0.337 4.457 4.120 -0.000 0.000 0.286 299 V C 0.673 176.804 176.094 0.061 0.000 1.044 299 V CA -0.304 61.951 62.300 -0.076 0.000 1.026 299 V CB 0.823 32.659 31.823 0.022 0.000 0.981 299 V HN 0.697 nan 8.190 nan 0.000 0.480 300 R N 2.745 123.331 120.500 0.144 0.000 2.598 300 R HA 0.402 4.742 4.340 -0.000 0.000 0.279 300 R C -0.053 176.300 176.300 0.087 0.000 0.984 300 R CA -0.945 55.213 56.100 0.097 0.000 0.999 300 R CB 1.138 31.503 30.300 0.108 0.000 1.114 300 R HN 0.653 nan 8.270 nan 0.000 0.493 301 K N 0.859 121.280 120.400 0.035 0.000 2.511 301 K HA -0.113 4.207 4.320 -0.000 0.000 0.277 301 K C 0.564 177.191 176.600 0.044 0.000 1.025 301 K CA 1.604 57.901 56.287 0.017 0.000 1.112 301 K CB -0.017 32.482 32.500 -0.002 0.000 0.859 301 K HN 0.806 nan 8.250 nan 0.000 0.485 302 G N 2.711 111.540 108.800 0.047 0.000 2.195 302 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.246 302 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.246 302 G C -0.299 174.646 174.900 0.075 0.000 0.984 302 G CA 0.208 45.339 45.100 0.050 0.000 0.633 302 G HN 0.675 nan 8.290 nan 0.000 0.525 303 E N -0.229 120.047 120.200 0.126 0.000 2.319 303 E HA 0.564 4.914 4.350 -0.000 0.000 0.268 303 E C -0.244 176.463 176.600 0.178 0.000 1.050 303 E CA -0.842 55.654 56.400 0.161 0.000 0.878 303 E CB 1.762 31.633 29.700 0.285 0.000 1.066 303 E HN 0.190 nan 8.360 nan 0.000 0.406 304 L N 2.557 123.855 121.223 0.125 0.000 2.312 304 L HA 0.283 4.623 4.340 -0.000 0.000 0.281 304 L C -1.099 175.863 176.870 0.155 0.000 1.070 304 L CA -0.351 54.551 54.840 0.105 0.000 0.805 304 L CB 1.362 43.436 42.059 0.025 0.000 1.174 304 L HN 0.240 nan 8.230 nan 0.000 0.434 305 V N 6.159 126.158 119.914 0.143 0.000 2.604 305 V HA 0.501 4.621 4.120 -0.000 0.000 0.305 305 V C -0.353 175.758 176.094 0.028 0.000 1.043 305 V CA -0.655 61.713 62.300 0.112 0.000 0.888 305 V CB 1.821 33.656 31.823 0.020 0.000 0.995 305 V HN 0.591 nan 8.190 nan 0.000 0.429 306 L N 4.509 125.743 121.223 0.019 0.000 2.349 306 L HA 0.611 4.951 4.340 -0.000 0.000 0.278 306 L C -0.727 176.126 176.870 -0.028 0.000 0.996 306 L CA -0.794 54.039 54.840 -0.012 0.000 0.825 306 L CB 2.031 44.079 42.059 -0.019 0.000 1.243 306 L HN 0.343 nan 8.230 nan 0.000 0.412 307 V N 4.543 124.429 119.914 -0.047 0.000 2.318 307 V HA 0.210 4.330 4.120 -0.000 0.000 0.271 307 V C -0.016 176.053 176.094 -0.041 0.000 1.030 307 V CA -0.414 61.849 62.300 -0.063 0.000 0.844 307 V CB 1.576 33.343 31.823 -0.093 0.000 1.015 307 V HN 0.442 nan 8.190 nan 0.000 0.460 308 L N 6.260 127.474 121.223 -0.015 0.000 2.295 308 L HA 0.335 4.675 4.340 -0.000 0.000 0.288 308 L C 1.014 177.899 176.870 0.024 0.000 1.079 308 L CA 0.545 55.392 54.840 0.013 0.000 0.830 308 L CB 0.473 42.557 42.059 0.041 0.000 1.200 308 L HN 0.564 nan 8.230 nan 0.000 0.438 309 L N 3.604 124.829 121.223 0.004 0.000 2.046 309 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 309 L C 2.201 179.130 176.870 0.098 0.000 1.077 309 L CA 1.280 56.120 54.840 -0.001 0.000 0.747 309 L CB -0.529 41.472 42.059 -0.096 0.000 0.896 309 L HN 0.764 nan 8.230 nan 0.000 0.432 310 E N 0.670 120.956 120.200 0.144 0.000 2.347 310 E HA -0.114 4.236 4.350 -0.000 0.000 0.196 310 E C 2.009 178.796 176.600 0.311 0.000 1.008 310 E CA 1.147 57.724 56.400 0.295 0.000 0.852 310 E CB -0.361 29.480 29.700 0.235 0.000 0.783 310 E HN 0.411 nan 8.360 nan 0.000 0.505 311 G N 1.877 110.789 108.800 0.186 0.000 2.433 311 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 311 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 311 G C 1.815 176.855 174.900 0.233 0.000 1.186 311 G CA 1.611 46.818 45.100 0.177 0.000 0.779 311 G HN 0.467 nan 8.290 nan 0.000 0.543 312 A N 1.057 124.001 122.820 0.206 0.000 1.902 312 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 312 A C 2.219 180.083 177.584 0.466 0.000 1.181 312 A CA 1.860 54.065 52.037 0.281 0.000 0.623 312 A CB -0.374 18.691 19.000 0.109 0.000 0.818 312 A HN 0.347 nan 8.150 nan 0.000 0.443 313 N N -1.350 117.568 118.700 0.364 0.000 2.457 313 N HA 0.041 4.781 4.740 -0.000 0.000 0.180 313 N C 0.349 175.888 175.510 0.048 0.000 1.050 313 N CA 0.765 53.962 53.050 0.245 0.000 0.906 313 N CB -0.216 38.264 38.487 -0.011 0.000 0.968 313 N HN 0.495 nan 8.380 nan 0.000 0.445 314 F N 0.323 120.388 119.950 0.192 0.000 2.639 314 F HA 0.187 4.714 4.527 -0.000 0.000 0.302 314 F C 0.609 176.529 175.800 0.200 0.000 1.097 314 F CA -0.827 57.263 58.000 0.151 0.000 1.294 314 F CB 0.263 39.313 39.000 0.083 0.000 1.027 314 F HN -0.236 nan 8.300 nan 0.000 0.550 315 D N 2.958 123.598 120.400 0.401 0.000 2.346 315 D HA 0.042 4.682 4.640 -0.000 0.000 0.260 315 D C -1.487 174.952 176.300 0.231 0.000 1.252 315 D CA -2.067 52.105 54.000 0.287 0.000 0.895 315 D CB 1.299 42.268 40.800 0.281 0.000 1.097 315 D HN 0.032 nan 8.370 nan 0.000 0.489 316 P HA -0.114 nan 4.420 nan 0.000 0.225 316 P C 0.674 178.004 177.300 0.049 0.000 1.148 316 P CA 0.842 64.012 63.100 0.117 0.000 0.779 316 P CB 0.361 32.118 31.700 0.095 0.000 0.780 317 E N -1.363 118.864 120.200 0.045 0.000 2.268 317 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 317 E C 1.766 178.319 176.600 -0.078 0.000 0.995 317 E CA 0.884 57.285 56.400 0.002 0.000 0.836 317 E CB -0.358 29.363 29.700 0.036 0.000 0.763 317 E HN 0.469 nan 8.360 nan 0.000 0.491 318 H N -1.380 117.520 119.070 -0.283 0.000 2.695 318 H HA 0.189 4.745 4.556 -0.000 0.000 0.267 318 H C -0.265 174.628 175.328 -0.725 0.000 0.973 318 H CA 0.109 55.767 56.048 -0.649 0.000 1.223 318 H CB 0.605 29.590 29.762 -1.295 0.000 1.442 318 H HN -0.092 nan 8.280 nan 0.000 0.478 319 F N 2.408 122.294 119.950 -0.106 0.000 2.451 319 F HA 0.367 4.894 4.527 -0.000 0.000 0.367 319 F C -2.386 173.382 175.800 -0.054 0.000 1.100 319 F CA -2.678 55.265 58.000 -0.095 0.000 1.171 319 F CB 1.256 40.235 39.000 -0.035 0.000 1.405 319 F HN 0.006 nan 8.300 nan 0.000 0.482 320 P HA -0.047 nan 4.420 nan 0.000 0.266 320 P C -0.297 177.048 177.300 0.076 0.000 1.193 320 P CA 0.259 63.390 63.100 0.051 0.000 0.770 320 P CB 0.368 32.072 31.700 0.007 0.000 0.836 321 N N 0.926 119.665 118.700 0.066 0.000 2.688 321 N HA -0.145 4.595 4.740 -0.000 0.000 0.258 321 N C -1.474 174.080 175.510 0.073 0.000 1.016 321 N CA 0.349 53.437 53.050 0.064 0.000 0.747 321 N CB -1.207 37.306 38.487 0.044 0.000 0.895 321 N HN 0.453 nan 8.380 nan 0.000 0.543 322 P HA -0.108 nan 4.420 nan 0.000 0.220 322 P C 1.430 178.758 177.300 0.047 0.000 1.148 322 P CA 1.587 64.740 63.100 0.089 0.000 0.803 322 P CB -0.041 31.780 31.700 0.203 0.000 0.782 323 G N -0.747 108.143 108.800 0.150 0.000 2.813 323 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.209 323 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.209 323 G C 0.507 175.457 174.900 0.083 0.000 1.150 323 G CA 0.087 45.297 45.100 0.185 0.000 0.785 323 G HN 0.234 nan 8.290 nan 0.000 0.535 324 S N 0.504 116.227 115.700 0.037 0.000 2.541 324 S HA 0.457 4.927 4.470 -0.000 0.000 0.283 324 S C 0.060 174.651 174.600 -0.016 0.000 1.196 324 S CA -0.570 57.642 58.200 0.019 0.000 1.062 324 S CB 1.445 64.659 63.200 0.023 0.000 1.009 324 S HN 0.025 nan 8.310 nan 0.000 0.502 325 I N 3.430 123.994 120.570 -0.010 0.000 2.406 325 I HA 0.159 4.329 4.170 -0.000 0.000 0.293 325 I C 0.469 176.581 176.117 -0.008 0.000 1.101 325 I CA 0.535 61.822 61.300 -0.021 0.000 1.334 325 I CB -0.536 37.461 38.000 -0.005 0.000 1.421 325 I HN 0.642 nan 8.210 nan 0.000 0.513 326 E N 6.458 126.650 120.200 -0.014 0.000 2.165 326 E HA 0.320 4.670 4.350 -0.000 0.000 0.266 326 E C 0.353 176.959 176.600 0.010 0.000 0.889 326 E CA -0.489 55.913 56.400 0.004 0.000 0.756 326 E CB 2.208 31.915 29.700 0.012 0.000 1.131 326 E HN 0.506 nan 8.360 nan 0.000 0.411 327 L N 2.176 123.410 121.223 0.017 0.000 2.591 327 L HA 0.036 4.376 4.340 -0.000 0.000 0.228 327 L C 0.563 177.452 176.870 0.031 0.000 1.133 327 L CA 0.399 55.254 54.840 0.025 0.000 0.880 327 L CB -0.129 41.944 42.059 0.025 0.000 1.033 327 L HN 0.461 nan 8.230 nan 0.000 0.450 328 D N -1.163 119.254 120.400 0.029 0.000 2.819 328 D HA 0.079 4.719 4.640 -0.000 0.000 0.326 328 D C 0.372 176.691 176.300 0.032 0.000 1.408 328 D CA -0.431 53.587 54.000 0.029 0.000 0.811 328 D CB 0.088 40.901 40.800 0.021 0.000 1.148 328 D HN 0.010 nan 8.370 nan 0.000 0.457 329 R N 1.235 121.762 120.500 0.045 0.000 2.694 329 R HA 0.201 4.541 4.340 -0.000 0.000 0.268 329 R C -1.160 175.168 176.300 0.047 0.000 1.061 329 R CA -0.919 55.215 56.100 0.056 0.000 1.133 329 R CB 0.502 30.865 30.300 0.106 0.000 1.020 329 R HN 0.042 nan 8.270 nan 0.000 0.475 330 P HA -0.056 nan 4.420 nan 0.000 0.222 330 P C -0.314 176.995 177.300 0.015 0.000 1.153 330 P CA 1.223 64.325 63.100 0.003 0.000 0.798 330 P CB 0.305 31.984 31.700 -0.035 0.000 0.796 331 N N -0.411 118.314 118.700 0.041 0.000 2.733 331 N HA 0.154 4.894 4.740 -0.000 0.000 0.271 331 N C -1.988 173.621 175.510 0.164 0.000 1.720 331 N CA -1.375 51.718 53.050 0.071 0.000 0.803 331 N CB 0.884 39.394 38.487 0.039 0.000 1.208 331 N HN -0.053 nan 8.380 nan 0.000 0.498 332 P HA -0.106 nan 4.420 nan 0.000 0.222 332 P C 0.824 178.263 177.300 0.232 0.000 1.147 332 P CA 1.195 64.414 63.100 0.198 0.000 0.790 332 P CB 0.134 31.914 31.700 0.133 0.000 0.780 333 T N -3.615 111.025 114.554 0.142 0.000 3.107 333 T HA 0.053 4.403 4.350 -0.000 0.000 0.249 333 T C 1.568 176.173 174.700 -0.158 0.000 1.096 333 T CA 0.490 62.598 62.100 0.014 0.000 1.012 333 T CB -0.911 67.989 68.868 0.053 0.000 0.977 333 T HN 0.147 nan 8.240 nan 0.000 0.527 334 S N 1.063 116.822 115.700 0.098 0.000 2.607 334 S HA 0.028 4.498 4.470 -0.000 0.000 0.224 334 S C 0.689 175.500 174.600 0.352 0.000 0.969 334 S CA -0.502 57.816 58.200 0.196 0.000 0.927 334 S CB -1.073 62.315 63.200 0.312 0.000 0.772 334 S HN 0.904 nan 8.310 nan 0.000 0.533 335 H N 0.463 119.838 119.070 0.508 0.000 2.730 335 H HA 0.429 4.985 4.556 -0.000 0.000 0.376 335 H C 0.522 175.982 175.328 0.221 0.000 1.299 335 H CA -0.722 55.566 56.048 0.400 0.000 1.447 335 H CB 0.201 30.010 29.762 0.079 0.000 1.493 335 H HN 0.133 nan 8.280 nan 0.000 0.619 336 L N 0.808 122.223 121.223 0.320 0.000 2.872 336 L HA 0.332 4.672 4.340 -0.000 0.000 0.245 336 L C 1.881 178.774 176.870 0.038 0.000 1.211 336 L CA 0.237 55.155 54.840 0.130 0.000 1.013 336 L CB -0.132 41.932 42.059 0.007 0.000 1.326 336 L HN 0.894 nan 8.230 nan 0.000 0.525 337 A N 0.215 123.111 122.820 0.127 0.000 2.024 337 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 337 A C 1.457 178.711 177.584 -0.550 0.000 1.164 337 A CA 1.622 53.450 52.037 -0.348 0.000 0.643 337 A CB -0.364 18.217 19.000 -0.698 0.000 0.806 337 A HN 0.403 nan 8.150 nan 0.000 0.451 338 F N -0.877 118.998 119.950 -0.124 0.000 2.647 338 F HA 0.446 4.973 4.527 -0.000 0.000 0.300 338 F C 1.547 177.100 175.800 -0.411 0.000 1.106 338 F CA 0.029 57.804 58.000 -0.375 0.000 1.313 338 F CB -0.211 38.429 39.000 -0.600 0.000 1.007 338 F HN 0.446 nan 8.300 nan 0.000 0.536 339 G N 1.267 110.017 108.800 -0.083 0.000 2.553 339 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.242 339 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.242 339 G C -0.533 174.498 174.900 0.219 0.000 1.277 339 G CA -0.217 44.881 45.100 -0.002 0.000 0.910 339 G HN 0.528 nan 8.290 nan 0.000 0.576 340 R N -1.245 119.402 120.500 0.245 0.000 2.728 340 R HA 0.635 4.975 4.340 -0.000 0.000 0.259 340 R C 0.589 176.986 176.300 0.161 0.000 1.057 340 R CA 1.475 57.712 56.100 0.229 0.000 0.908 340 R CB 0.678 31.012 30.300 0.058 0.000 1.259 340 R HN 2.908 nan 8.270 nan 0.000 0.472 341 G N 2.136 110.996 108.800 0.099 0.000 2.512 341 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.240 341 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.240 341 G C 0.518 175.454 174.900 0.059 0.000 1.246 341 G CA 0.417 45.549 45.100 0.054 0.000 0.919 341 G HN 0.728 nan 8.290 nan 0.000 0.577 342 Q N -1.075 118.718 119.800 -0.011 0.000 2.181 342 Q HA -0.142 4.198 4.340 -0.000 0.000 0.205 342 Q C 1.673 177.541 176.000 -0.219 0.000 0.980 342 Q CA 1.952 57.657 55.803 -0.163 0.000 0.862 342 Q CB -0.141 28.409 28.738 -0.313 0.000 0.905 342 Q HN 0.708 nan 8.270 nan 0.000 0.429 343 H N -1.185 117.951 119.070 0.110 0.000 2.505 343 H HA 0.062 4.618 4.556 -0.000 0.000 0.286 343 H C -0.588 174.803 175.328 0.105 0.000 1.072 343 H CA -0.455 55.649 56.048 0.094 0.000 1.141 343 H CB -0.249 29.548 29.762 0.059 0.000 1.550 343 H HN 0.172 nan 8.280 nan 0.000 0.547 344 F N 2.232 122.229 119.950 0.079 0.000 2.623 344 F HA -0.109 4.418 4.527 -0.000 0.000 0.386 344 F C 0.871 176.704 175.800 0.056 0.000 1.068 344 F CA -0.341 57.695 58.000 0.059 0.000 1.265 344 F CB 0.358 39.372 39.000 0.023 0.000 1.026 344 F HN 0.160 nan 8.300 nan 0.000 0.568 345 C N 10.672 129.572 119.300 -0.667 0.000 2.601 345 C HA 0.088 4.548 4.460 -0.000 0.000 0.405 345 C C -0.657 174.167 174.990 -0.276 0.000 1.441 345 C CA -1.167 57.616 59.018 -0.392 0.000 1.555 345 C CB -0.464 27.034 27.740 -0.402 0.000 2.450 345 C HN 0.779 nan 8.230 nan 0.000 0.614 346 P HA 0.056 nan 4.420 nan 0.000 0.226 346 P C 1.093 178.394 177.300 0.002 0.000 1.153 346 P CA 1.533 64.660 63.100 0.045 0.000 0.777 346 P CB -0.002 31.798 31.700 0.167 0.000 0.794 347 G N 0.329 109.085 108.800 -0.073 0.000 3.284 347 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.236 347 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.236 347 G C 1.493 176.260 174.900 -0.222 0.000 1.158 347 G CA 0.539 45.602 45.100 -0.062 0.000 0.774 347 G HN 0.348 nan 8.290 nan 0.000 0.545 348 S N 1.164 116.570 115.700 -0.490 0.000 2.365 348 S HA -0.143 4.327 4.470 -0.000 0.000 0.225 348 S C 2.568 176.805 174.600 -0.606 0.000 1.039 348 S CA 1.649 59.166 58.200 -1.138 0.000 1.033 348 S CB -0.508 61.813 63.200 -1.465 0.000 0.887 348 S HN 0.502 nan 8.310 nan 0.000 0.447 349 A N 1.387 124.052 122.820 -0.259 0.000 1.930 349 A HA 0.179 4.499 4.320 -0.000 0.000 0.217 349 A C 2.260 179.829 177.584 -0.025 0.000 1.175 349 A CA 1.400 53.382 52.037 -0.092 0.000 0.627 349 A CB -0.815 18.169 19.000 -0.026 0.000 0.815 349 A HN 0.525 nan 8.150 nan 0.000 0.443 350 L N 0.012 121.221 121.223 -0.024 0.000 2.093 350 L HA 0.026 4.366 4.340 -0.000 0.000 0.208 350 L C 2.417 179.340 176.870 0.089 0.000 1.085 350 L CA 1.999 56.858 54.840 0.031 0.000 0.755 350 L CB -0.859 41.207 42.059 0.012 0.000 0.904 350 L HN 0.315 nan 8.230 nan 0.000 0.435 351 G N -0.781 108.061 108.800 0.069 0.000 2.446 351 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 351 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 351 G C 1.739 176.808 174.900 0.281 0.000 1.168 351 G CA 0.820 46.032 45.100 0.185 0.000 0.771 351 G HN 0.359 nan 8.290 nan 0.000 0.551 352 R N -0.307 120.330 120.500 0.229 0.000 2.083 352 R HA -0.004 4.336 4.340 -0.000 0.000 0.237 352 R C 2.816 179.247 176.300 0.217 0.000 1.137 352 R CA 1.121 57.370 56.100 0.249 0.000 0.951 352 R CB -0.279 30.134 30.300 0.189 0.000 0.851 352 R HN 0.169 nan 8.270 nan 0.000 0.434 353 R N -0.223 120.377 120.500 0.167 0.000 2.075 353 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 353 R C 2.267 178.661 176.300 0.157 0.000 1.126 353 R CA 1.137 57.320 56.100 0.138 0.000 0.963 353 R CB -0.800 29.562 30.300 0.103 0.000 0.858 353 R HN 0.487 nan 8.270 nan 0.000 0.435 354 H N 0.722 119.852 119.070 0.098 0.000 2.319 354 H HA -0.114 4.442 4.556 -0.000 0.000 0.297 354 H C 1.615 176.999 175.328 0.093 0.000 1.097 354 H CA 2.109 58.208 56.048 0.084 0.000 1.285 354 H CB 0.169 29.992 29.762 0.102 0.000 1.368 354 H HN 0.179 nan 8.280 nan 0.000 0.495 355 A N 0.833 123.832 122.820 0.298 0.000 1.930 355 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 355 A C 2.517 180.170 177.584 0.115 0.000 1.175 355 A CA 1.339 53.510 52.037 0.224 0.000 0.627 355 A CB -0.525 18.784 19.000 0.514 0.000 0.815 355 A HN 0.585 nan 8.150 nan 0.000 0.443 356 Q N -0.510 119.374 119.800 0.140 0.000 2.061 356 Q HA -0.133 4.207 4.340 -0.000 0.000 0.204 356 Q C 2.006 178.036 176.000 0.050 0.000 0.984 356 Q CA 1.740 57.602 55.803 0.097 0.000 0.846 356 Q CB -0.307 28.494 28.738 0.105 0.000 0.902 356 Q HN 0.733 nan 8.270 nan 0.000 0.421 357 I N 0.048 120.632 120.570 0.022 0.000 2.315 357 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 357 I C 2.314 178.423 176.117 -0.013 0.000 1.117 357 I CA 0.940 62.239 61.300 -0.002 0.000 1.404 357 I CB -0.563 37.429 38.000 -0.013 0.000 1.071 357 I HN 0.288 nan 8.210 nan 0.000 0.419 358 G N 1.247 109.998 108.800 -0.082 0.000 2.476 358 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 358 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 358 G C 1.696 176.693 174.900 0.161 0.000 1.164 358 G CA 0.890 45.984 45.100 -0.010 0.000 0.768 358 G HN 0.309 nan 8.290 nan 0.000 0.560 359 I N 0.222 120.838 120.570 0.077 0.000 2.233 359 I HA -0.075 4.095 4.170 -0.000 0.000 0.243 359 I C 2.655 178.797 176.117 0.042 0.000 1.093 359 I CA 1.332 62.670 61.300 0.062 0.000 1.380 359 I CB -0.217 37.811 38.000 0.046 0.000 1.067 359 I HN 0.319 nan 8.210 nan 0.000 0.413 360 E N 1.261 121.486 120.200 0.042 0.000 2.049 360 E HA -0.313 4.037 4.350 -0.000 0.000 0.198 360 E C 2.205 178.818 176.600 0.022 0.000 1.007 360 E CA 1.851 58.271 56.400 0.034 0.000 0.809 360 E CB -0.109 29.609 29.700 0.029 0.000 0.749 360 E HN 0.488 nan 8.360 nan 0.000 0.450 361 A N 0.804 123.637 122.820 0.021 0.000 1.933 361 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 361 A C 2.219 179.761 177.584 -0.070 0.000 1.175 361 A CA 1.384 53.419 52.037 -0.004 0.000 0.628 361 A CB -0.665 18.354 19.000 0.031 0.000 0.814 361 A HN 0.444 nan 8.150 nan 0.000 0.444 362 L N -0.578 120.589 121.223 -0.093 0.000 2.044 362 L HA -0.055 4.285 4.340 -0.000 0.000 0.205 362 L C 2.346 179.099 176.870 -0.195 0.000 1.075 362 L CA 1.207 55.891 54.840 -0.261 0.000 0.747 362 L CB -0.234 41.627 42.059 -0.329 0.000 0.903 362 L HN 0.392 nan 8.230 nan 0.000 0.435 363 L N -0.187 120.985 121.223 -0.085 0.000 2.042 363 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 363 L C 2.652 179.536 176.870 0.022 0.000 1.076 363 L CA 1.511 56.329 54.840 -0.036 0.000 0.749 363 L CB -0.593 41.517 42.059 0.084 0.000 0.893 363 L HN 0.251 nan 8.230 nan 0.000 0.432 364 K N 0.080 120.519 120.400 0.066 0.000 2.063 364 K HA -0.199 4.121 4.320 -0.000 0.000 0.208 364 K C 2.078 178.670 176.600 -0.014 0.000 1.048 364 K CA 1.539 57.875 56.287 0.081 0.000 0.928 364 K CB 0.017 32.533 32.500 0.027 0.000 0.713 364 K HN 0.262 nan 8.250 nan 0.000 0.442 365 K N -0.780 119.549 120.400 -0.118 0.000 2.334 365 K HA 0.152 4.472 4.320 -0.000 0.000 0.195 365 K C 0.534 176.964 176.600 -0.283 0.000 1.045 365 K CA 0.429 56.605 56.287 -0.186 0.000 1.004 365 K CB 0.523 32.882 32.500 -0.236 0.000 0.837 365 K HN 0.055 nan 8.250 nan 0.000 0.510 366 M N 1.316 120.725 119.600 -0.318 0.000 3.053 366 M HA 0.156 4.636 4.480 -0.000 0.000 0.293 366 M C -2.208 173.963 176.300 -0.215 0.000 1.470 366 M CA -1.310 53.792 55.300 -0.329 0.000 0.582 366 M CB 1.572 33.855 32.600 -0.529 0.000 1.435 366 M HN -0.181 nan 8.290 nan 0.000 0.451 367 P HA -0.064 nan 4.420 nan 0.000 0.222 367 P C 1.115 178.282 177.300 -0.221 0.000 1.147 367 P CA 1.253 64.086 63.100 -0.445 0.000 0.790 367 P CB 0.164 31.365 31.700 -0.830 0.000 0.780 368 G N 0.246 108.998 108.800 -0.079 0.000 3.448 368 G HA2 0.118 4.078 3.960 -0.000 0.000 0.261 368 G HA3 0.118 4.078 3.960 -0.000 0.000 0.261 368 G C 0.188 175.116 174.900 0.046 0.000 1.173 368 G CA -0.191 44.904 45.100 -0.008 0.000 0.835 368 G HN 0.253 nan 8.290 nan 0.000 0.534 369 V N 0.552 120.485 119.914 0.031 0.000 2.720 369 V HA 0.308 4.428 4.120 -0.000 0.000 0.307 369 V C -0.562 175.559 176.094 0.045 0.000 1.071 369 V CA 0.503 62.841 62.300 0.063 0.000 1.199 369 V CB 1.329 33.137 31.823 -0.025 0.000 0.900 369 V HN 0.322 nan 8.190 nan 0.000 0.494 370 D N 3.518 123.957 120.400 0.065 0.000 2.648 370 D HA 0.328 4.968 4.640 -0.000 0.000 0.244 370 D C -0.815 175.507 176.300 0.038 0.000 1.244 370 D CA -0.581 53.441 54.000 0.037 0.000 0.772 370 D CB 1.363 42.176 40.800 0.022 0.000 1.379 370 D HN 0.582 nan 8.370 nan 0.000 0.428 371 L N 1.230 122.468 121.223 0.025 0.000 2.525 371 L HA 0.335 4.675 4.340 -0.000 0.000 0.278 371 L C 1.279 178.153 176.870 0.006 0.000 1.218 371 L CA 0.106 54.957 54.840 0.018 0.000 0.878 371 L CB 0.684 42.753 42.059 0.017 0.000 1.127 371 L HN 0.601 nan 8.230 nan 0.000 0.492 372 A N 3.837 126.657 122.820 -0.000 0.000 2.387 372 A HA 0.414 4.734 4.320 -0.000 0.000 0.234 372 A C 0.114 177.685 177.584 -0.022 0.000 1.253 372 A CA 0.045 52.071 52.037 -0.020 0.000 0.894 372 A CB 0.030 19.012 19.000 -0.029 0.000 0.963 372 A HN 0.491 nan 8.150 nan 0.000 0.508 373 V N -4.371 115.534 119.914 -0.015 0.000 3.007 373 V HA 0.673 4.793 4.120 -0.000 0.000 0.311 373 V C -3.323 172.768 176.094 -0.004 0.000 1.120 373 V CA -2.782 59.509 62.300 -0.015 0.000 0.980 373 V CB 1.297 33.106 31.823 -0.023 0.000 1.033 373 V HN 0.034 nan 8.190 nan 0.000 0.429 374 P HA 0.203 nan 4.420 nan 0.000 0.266 374 P C 0.793 178.109 177.300 0.027 0.000 1.193 374 P CA 0.065 63.174 63.100 0.014 0.000 0.770 374 P CB 0.541 32.249 31.700 0.014 0.000 0.836 375 I N 2.082 122.680 120.570 0.048 0.000 2.335 375 I HA -0.243 3.927 4.170 -0.000 0.000 0.251 375 I C 1.159 177.342 176.117 0.111 0.000 1.129 375 I CA 1.836 63.187 61.300 0.084 0.000 1.402 375 I CB -0.348 37.716 38.000 0.106 0.000 1.069 375 I HN 0.235 nan 8.210 nan 0.000 0.424 376 D N 0.048 120.501 120.400 0.089 0.000 2.371 376 D HA -0.094 4.546 4.640 -0.000 0.000 0.221 376 D C 1.744 178.088 176.300 0.073 0.000 0.986 376 D CA 0.505 54.567 54.000 0.102 0.000 0.899 376 D CB -0.051 40.794 40.800 0.074 0.000 0.902 376 D HN 0.437 nan 8.370 nan 0.000 0.530 377 Q N -0.222 119.597 119.800 0.032 0.000 2.392 377 Q HA 0.145 4.485 4.340 -0.000 0.000 0.203 377 Q C 0.640 176.604 176.000 -0.059 0.000 0.917 377 Q CA -0.060 55.740 55.803 -0.005 0.000 0.939 377 Q CB 0.581 29.311 28.738 -0.013 0.000 1.063 377 Q HN 0.355 nan 8.270 nan 0.000 0.516 378 L N 1.060 122.226 121.223 -0.094 0.000 2.456 378 L HA 0.104 4.444 4.340 -0.000 0.000 0.272 378 L C 0.034 176.669 176.870 -0.390 0.000 1.189 378 L CA -0.254 54.405 54.840 -0.301 0.000 0.846 378 L CB 0.620 42.407 42.059 -0.454 0.000 1.111 378 L HN -0.215 nan 8.230 nan 0.000 0.475 379 V N 2.230 121.887 119.914 -0.428 0.000 2.328 379 V HA 0.171 4.291 4.120 -0.000 0.000 0.278 379 V C -0.514 175.332 176.094 -0.413 0.000 1.021 379 V CA -0.564 61.563 62.300 -0.289 0.000 0.838 379 V CB 0.709 32.438 31.823 -0.156 0.000 0.999 379 V HN 0.559 nan 8.190 nan 0.000 0.447 380 W N 4.272 125.568 121.300 -0.006 0.000 2.345 380 W HA 0.455 5.115 4.660 -0.000 0.000 0.308 380 W C 0.905 177.416 176.519 -0.014 0.000 1.273 380 W CA -0.480 56.862 57.345 -0.004 0.000 1.243 380 W CB 0.391 29.857 29.460 0.011 0.000 1.260 380 W HN 0.433 nan 8.180 nan 0.000 0.509 381 R N 2.644 123.235 120.500 0.153 0.000 2.484 381 R HA 0.079 4.419 4.340 -0.000 0.000 0.293 381 R C 0.383 176.766 176.300 0.139 0.000 1.023 381 R CA 0.302 56.434 56.100 0.053 0.000 1.037 381 R CB 0.340 30.569 30.300 -0.118 0.000 0.951 381 R HN 0.556 nan 8.270 nan 0.000 0.418 382 T N 1.835 116.450 114.554 0.102 0.000 2.929 382 T HA 0.326 4.675 4.350 -0.000 0.000 0.284 382 T C -0.016 174.766 174.700 0.136 0.000 1.014 382 T CA -0.961 61.209 62.100 0.117 0.000 1.051 382 T CB 1.287 70.206 68.868 0.085 0.000 1.028 382 T HN 0.753 nan 8.240 nan 0.000 0.485 383 R N 0.003 120.577 120.500 0.124 0.000 3.251 383 R HA -0.162 4.177 4.340 -0.000 0.000 0.249 383 R C -1.135 175.291 176.300 0.210 0.000 0.949 383 R CA 0.286 56.456 56.100 0.117 0.000 0.645 383 R CB -2.099 28.248 30.300 0.078 0.000 1.065 383 R HN 0.673 nan 8.270 nan 0.000 0.452 384 F N -0.676 119.283 119.950 0.016 0.000 2.599 384 F HA 0.200 4.727 4.527 -0.000 0.000 0.311 384 F C 1.327 177.129 175.800 0.005 0.000 1.076 384 F CA -0.958 57.054 58.000 0.020 0.000 0.937 384 F CB 1.584 40.602 39.000 0.030 0.000 1.282 384 F HN -0.102 nan 8.300 nan 0.000 0.460 385 Q N 1.594 121.110 119.800 -0.473 0.000 2.451 385 Q HA 0.131 4.471 4.340 -0.000 0.000 0.206 385 Q C -0.153 175.659 176.000 -0.313 0.000 0.947 385 Q CA 0.571 56.172 55.803 -0.336 0.000 0.937 385 Q CB 0.328 28.861 28.738 -0.340 0.000 1.025 385 Q HN 0.202 nan 8.270 nan 0.000 0.511 386 R N 0.274 120.690 120.500 -0.140 0.000 2.803 386 R HA 0.433 4.773 4.340 -0.000 0.000 0.276 386 R C -0.652 175.789 176.300 0.235 0.000 0.978 386 R CA -0.651 55.463 56.100 0.023 0.000 0.939 386 R CB 1.209 31.536 30.300 0.046 0.000 1.179 386 R HN 0.025 nan 8.270 nan 0.000 0.472 387 R N 2.383 122.990 120.500 0.179 0.000 2.202 387 R HA 0.533 4.873 4.340 -0.000 0.000 0.334 387 R C -0.009 176.503 176.300 0.353 0.000 1.036 387 R CA -0.246 56.005 56.100 0.251 0.000 0.878 387 R CB 0.404 30.778 30.300 0.124 0.000 1.067 387 R HN 0.553 nan 8.270 nan 0.000 0.457 388 I N -0.087 120.736 120.570 0.421 0.000 2.775 388 I HA 0.486 4.656 4.170 -0.000 0.000 0.295 388 I C -2.802 173.320 176.117 0.008 0.000 1.287 388 I CA -2.916 58.542 61.300 0.262 0.000 1.029 388 I CB 2.738 40.799 38.000 0.103 0.000 1.282 388 I HN 0.352 nan 8.210 nan 0.000 0.426 389 P HA 0.222 nan 4.420 nan 0.000 0.278 389 P C -0.146 176.956 177.300 -0.330 0.000 1.238 389 P CA -0.031 62.646 63.100 -0.705 0.000 0.794 389 P CB 1.390 32.591 31.700 -0.831 0.000 0.955 390 E N 1.647 121.673 120.200 -0.289 0.000 2.106 390 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 390 E C 0.441 176.961 176.600 -0.134 0.000 0.984 390 E CA 1.290 57.585 56.400 -0.175 0.000 0.806 390 E CB 0.162 29.775 29.700 -0.145 0.000 0.750 390 E HN 0.508 nan 8.360 nan 0.000 0.458 391 R N -0.145 120.258 120.500 -0.161 0.000 2.673 391 R HA 0.383 4.723 4.340 -0.000 0.000 0.281 391 R C -1.082 175.139 176.300 -0.132 0.000 0.991 391 R CA -0.735 55.298 56.100 -0.111 0.000 0.896 391 R CB 1.660 31.909 30.300 -0.084 0.000 1.201 391 R HN -0.112 nan 8.270 nan 0.000 0.457 392 L N 4.075 125.250 121.223 -0.079 0.000 2.445 392 L HA 0.465 4.805 4.340 -0.000 0.000 0.252 392 L C -2.625 174.231 176.870 -0.025 0.000 1.105 392 L CA -2.313 52.488 54.840 -0.066 0.000 0.943 392 L CB 1.068 43.101 42.059 -0.044 0.000 1.277 392 L HN 0.399 nan 8.230 nan 0.000 0.465 393 P HA 0.284 nan 4.420 nan 0.000 0.276 393 P C -0.881 176.431 177.300 0.020 0.000 1.243 393 P CA -0.028 63.072 63.100 -0.001 0.000 0.768 393 P CB 1.179 32.868 31.700 -0.018 0.000 0.856 394 V N 2.167 122.119 119.914 0.064 0.000 3.074 394 V HA 0.813 4.933 4.120 -0.000 0.000 0.314 394 V C -0.644 175.538 176.094 0.146 0.000 1.117 394 V CA -1.104 61.256 62.300 0.099 0.000 1.014 394 V CB 1.731 33.623 31.823 0.114 0.000 1.057 394 V HN 0.321 nan 8.190 nan 0.000 0.438 395 L N 0.200 121.487 121.223 0.107 0.000 2.235 395 L HA 1.124 5.464 4.340 -0.000 0.000 0.260 395 L C -0.473 176.510 176.870 0.187 0.000 1.025 395 L CA -0.588 54.238 54.840 -0.024 0.000 0.836 395 L CB 1.314 43.269 42.059 -0.174 0.000 1.395 395 L HN 1.164 nan 8.230 nan 0.000 0.443 396 W N 0.000 121.260 121.300 -0.067 0.000 2.388 396 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 396 W CA 0.000 57.299 57.345 -0.077 0.000 1.226 396 W CB 0.000 29.401 29.460 -0.098 0.000 1.126 396 W HN 0.000 nan 8.180 nan 0.000 0.535