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 2zp7_1_A DATA FIRST_RESID 5 DATA SEQUENCE SWSEAFGKGA GRIQASTIRE LLKLTQRPGI LSFAGGLPAP ELFPKEEAAE DATA SEQUENCE AAARILREKG EVALQYSPTE GYAPLRAFVA EWIGVRPEEV LITTGSQQAL DATA SEQUENCE DLVGKVFLDE GSPVLLEAPS YMGAIQAFRL QGPRFLTVPA GEEGPDLDAL DATA SEQUENCE EEVLKRERPR FLYLIPSFQN PTGGLTPLPA RKRLLQMVME RGLVVVEDDA DATA SEQUENCE YRELYFGEAR LPSLFELARE AGYPGVIYLG SFSKVLSPGL RVAFAVAHPE DATA SEQUENCE ALQKLVQAKQ GADLHTPMLN QMLVHELLKE GFSERLERVR RVYREKAQAM DATA SEQUENCE LHALDREVPK EVRYTRPKGG MFVWMELPKG LSAEGLFRRA LEENVAFVPG DATA SEQUENCE GPFFANGGGE NTLRLSYATL DREGIAEGVR RLGRALKGLL A 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.389 174.600 -0.352 0.000 1.055 5 S CA 0.000 58.057 58.200 -0.239 0.000 1.107 5 S CB 0.000 63.019 63.200 -0.302 0.000 0.593 6 W N 3.092 124.223 121.300 -0.281 0.000 2.409 6 W HA 0.004 4.664 4.660 -0.000 0.000 0.299 6 W C 2.694 178.663 176.519 -0.917 0.000 1.203 6 W CA 1.511 58.496 57.345 -0.599 0.000 1.298 6 W CB -0.249 28.907 29.460 -0.506 0.000 1.127 6 W HN 0.520 nan 8.180 nan 0.000 0.528 7 S N -0.150 115.432 115.700 -0.196 0.000 2.442 7 S HA -0.221 4.248 4.470 -0.001 0.000 0.236 7 S C 1.539 176.121 174.600 -0.030 0.000 1.007 7 S CA 1.632 59.815 58.200 -0.029 0.000 0.965 7 S CB -0.243 63.017 63.200 0.100 0.000 0.773 7 S HN 0.239 nan 8.310 nan 0.000 0.504 8 E N 1.213 121.351 120.200 -0.104 0.000 2.447 8 E HA 0.411 4.760 4.350 -0.001 0.000 0.195 8 E C 1.616 178.162 176.600 -0.091 0.000 1.028 8 E CA 0.632 56.991 56.400 -0.068 0.000 0.876 8 E CB -0.252 29.405 29.700 -0.073 0.000 0.885 8 E HN 0.572 nan 8.360 nan 0.000 0.500 9 A N -0.167 122.538 122.820 -0.192 0.000 2.095 9 A HA 0.196 4.515 4.320 -0.001 0.000 0.212 9 A C 0.233 177.841 177.584 0.041 0.000 1.162 9 A CA -0.134 51.818 52.037 -0.142 0.000 0.753 9 A CB -0.273 18.562 19.000 -0.275 0.000 0.840 9 A HN 0.142 nan 8.150 nan 0.000 0.468 10 F N 0.402 120.440 119.950 0.146 0.000 2.496 10 F HA 0.455 4.981 4.527 -0.000 0.000 0.344 10 F C 1.408 177.251 175.800 0.072 0.000 1.155 10 F CA -0.388 57.684 58.000 0.119 0.000 1.302 10 F CB -0.005 39.059 39.000 0.107 0.000 1.159 10 F HN 0.132 nan 8.300 nan 0.000 0.595 11 G N 1.511 110.477 108.800 0.276 0.000 2.525 11 G HA2 0.212 4.172 3.960 -0.001 0.000 0.287 11 G HA3 0.212 4.172 3.960 -0.001 0.000 0.287 11 G C 0.708 175.679 174.900 0.118 0.000 1.350 11 G CA -0.583 44.607 45.100 0.150 0.000 1.039 11 G HN 0.606 nan 8.290 nan 0.000 0.513 12 K N -0.494 119.950 120.400 0.073 0.000 2.147 12 K HA -0.078 4.242 4.320 -0.001 0.000 0.205 12 K C 2.617 179.234 176.600 0.029 0.000 1.049 12 K CA 1.081 57.399 56.287 0.051 0.000 0.936 12 K CB -0.326 32.197 32.500 0.037 0.000 0.722 12 K HN 0.485 nan 8.250 nan 0.000 0.446 13 G N 1.340 110.151 108.800 0.018 0.000 2.475 13 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.220 13 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.220 13 G C 1.565 176.434 174.900 -0.052 0.000 1.125 13 G CA 1.079 46.174 45.100 -0.010 0.000 0.755 13 G HN 0.368 nan 8.290 nan 0.000 0.565 14 A N 0.530 123.302 122.820 -0.081 0.000 2.019 14 A HA 0.211 4.531 4.320 -0.001 0.000 0.219 14 A C 2.533 180.042 177.584 -0.125 0.000 1.164 14 A CA 1.860 53.769 52.037 -0.213 0.000 0.644 14 A CB -0.583 18.177 19.000 -0.401 0.000 0.805 14 A HN 0.545 nan 8.150 nan 0.000 0.449 15 G N -1.478 107.303 108.800 -0.031 0.000 2.985 15 G HA2 0.083 4.043 3.960 -0.001 0.000 0.209 15 G HA3 0.083 4.043 3.960 -0.001 0.000 0.209 15 G C 1.342 176.237 174.900 -0.007 0.000 1.165 15 G CA 0.062 45.160 45.100 -0.003 0.000 0.776 15 G HN 0.512 nan 8.290 nan 0.000 0.541 16 R N -0.004 120.486 120.500 -0.017 0.000 2.432 16 R HA 0.300 4.639 4.340 -0.001 0.000 0.260 16 R C 1.227 177.515 176.300 -0.019 0.000 0.935 16 R CA 0.028 56.127 56.100 -0.002 0.000 1.080 16 R CB 0.199 30.506 30.300 0.012 0.000 1.155 16 R HN 0.566 nan 8.270 nan 0.000 0.531 17 I N -4.745 115.793 120.570 -0.053 0.000 3.947 17 I HA 0.299 4.469 4.170 -0.001 0.000 0.327 17 I C 1.516 177.585 176.117 -0.081 0.000 1.519 17 I CA -0.134 61.123 61.300 -0.072 0.000 1.122 17 I CB 0.292 38.236 38.000 -0.094 0.000 1.146 17 I HN -0.145 nan 8.210 nan 0.000 0.442 18 Q N 1.977 121.738 119.800 -0.064 0.000 2.181 18 Q HA 0.161 4.500 4.340 -0.001 0.000 0.205 18 Q C 1.458 177.418 176.000 -0.067 0.000 0.980 18 Q CA 1.477 57.244 55.803 -0.060 0.000 0.862 18 Q CB -0.792 27.924 28.738 -0.038 0.000 0.905 18 Q HN 0.835 nan 8.270 nan 0.000 0.429 19 A N 0.422 123.196 122.820 -0.077 0.000 2.477 19 A HA 0.426 4.746 4.320 -0.001 0.000 0.246 19 A C 0.675 178.198 177.584 -0.101 0.000 1.078 19 A CA 0.424 52.404 52.037 -0.095 0.000 0.770 19 A CB 0.515 19.442 19.000 -0.121 0.000 1.011 19 A HN 0.490 nan 8.150 nan 0.000 0.494 20 S N 1.196 116.837 115.700 -0.098 0.000 2.846 20 S HA 0.047 4.516 4.470 -0.001 0.000 0.249 20 S C 1.361 175.905 174.600 -0.093 0.000 1.028 20 S CA 0.298 58.446 58.200 -0.087 0.000 1.043 20 S CB 0.355 63.515 63.200 -0.066 0.000 0.990 20 S HN 0.851 nan 8.310 nan 0.000 0.564 21 T N 2.157 116.635 114.554 -0.126 0.000 2.746 21 T HA -0.038 4.312 4.350 -0.001 0.000 0.267 21 T C 1.671 176.305 174.700 -0.110 0.000 1.039 21 T CA 1.083 63.099 62.100 -0.139 0.000 1.142 21 T CB -0.257 68.486 68.868 -0.209 0.000 0.866 21 T HN 0.228 nan 8.240 nan 0.000 0.444 22 I N 2.147 122.645 120.570 -0.120 0.000 2.099 22 I HA -0.205 3.964 4.170 -0.001 0.000 0.239 22 I C 2.627 178.723 176.117 -0.035 0.000 1.066 22 I CA 1.573 62.827 61.300 -0.076 0.000 1.324 22 I CB -0.489 37.454 38.000 -0.095 0.000 1.037 22 I HN 0.282 nan 8.210 nan 0.000 0.401 23 R N 0.083 120.557 120.500 -0.044 0.000 2.148 23 R HA -0.117 4.223 4.340 -0.001 0.000 0.227 23 R C 2.029 178.322 176.300 -0.012 0.000 1.103 23 R CA 1.288 57.373 56.100 -0.025 0.000 0.983 23 R CB -0.602 29.677 30.300 -0.035 0.000 0.874 23 R HN 0.256 nan 8.270 nan 0.000 0.451 24 E N 1.210 121.398 120.200 -0.020 0.000 2.072 24 E HA -0.045 4.304 4.350 -0.001 0.000 0.190 24 E C 2.017 178.628 176.600 0.019 0.000 0.982 24 E CA 0.966 57.364 56.400 -0.004 0.000 0.803 24 E CB -0.049 29.638 29.700 -0.021 0.000 0.755 24 E HN 0.419 nan 8.360 nan 0.000 0.453 25 L N 0.295 121.529 121.223 0.018 0.000 1.994 25 L HA -0.232 4.107 4.340 -0.001 0.000 0.208 25 L C 2.546 179.455 176.870 0.066 0.000 1.071 25 L CA 0.660 55.533 54.840 0.056 0.000 0.745 25 L CB -0.565 41.534 42.059 0.066 0.000 0.892 25 L HN 0.194 nan 8.230 nan 0.000 0.431 26 L N 0.375 121.630 121.223 0.052 0.000 2.085 26 L HA -0.253 4.087 4.340 -0.001 0.000 0.218 26 L C 1.447 178.347 176.870 0.050 0.000 1.080 26 L CA 1.733 56.606 54.840 0.054 0.000 0.776 26 L CB -0.879 41.202 42.059 0.036 0.000 0.891 26 L HN 0.182 nan 8.230 nan 0.000 0.437 27 K N 0.192 120.615 120.400 0.038 0.000 2.686 27 K HA 0.041 4.360 4.320 -0.001 0.000 0.244 27 K C 1.180 177.807 176.600 0.044 0.000 1.262 27 K CA 0.068 56.376 56.287 0.035 0.000 1.199 27 K CB -0.356 32.159 32.500 0.024 0.000 1.428 27 K HN 0.424 nan 8.250 nan 0.000 0.247 28 L N -3.566 117.690 121.223 0.055 0.000 2.766 28 L HA 0.245 4.584 4.340 -0.001 0.000 0.241 28 L C 0.230 177.130 176.870 0.049 0.000 1.080 28 L CA -0.322 54.554 54.840 0.060 0.000 0.909 28 L CB 0.318 42.428 42.059 0.084 0.000 1.277 28 L HN -0.140 nan 8.230 nan 0.000 0.510 29 T N 2.575 117.162 114.554 0.054 0.000 3.162 29 T HA 0.152 4.502 4.350 -0.001 0.000 0.264 29 T C 0.519 175.239 174.700 0.032 0.000 0.959 29 T CA 0.235 62.363 62.100 0.047 0.000 1.118 29 T CB 0.419 69.324 68.868 0.062 0.000 0.979 29 T HN 0.347 nan 8.240 nan 0.000 0.679 30 Q N 1.994 121.807 119.800 0.021 0.000 2.441 30 Q HA 0.420 4.760 4.340 -0.001 0.000 0.598 30 Q C 1.403 177.410 176.000 0.011 0.000 1.053 30 Q CA 0.189 55.999 55.803 0.012 0.000 0.613 30 Q CB 0.199 28.937 28.738 0.001 0.000 4.283 30 Q HN 0.565 nan 8.270 nan 0.000 0.280 31 R N 1.221 121.724 120.500 0.004 0.000 2.593 31 R HA 0.237 4.577 4.340 -0.001 0.000 0.258 31 R C -2.488 173.811 176.300 -0.001 0.000 1.410 31 R CA -0.730 55.372 56.100 0.004 0.000 1.537 31 R CB -0.334 29.968 30.300 0.004 0.000 1.362 31 R HN 0.467 nan 8.270 nan 0.000 0.734 32 P HA 0.270 nan 4.420 nan 0.000 0.298 32 P C 0.880 178.172 177.300 -0.014 0.000 1.802 32 P CA 0.240 63.338 63.100 -0.003 0.000 1.331 32 P CB 0.823 32.524 31.700 0.001 0.000 1.699 33 G N 0.684 109.473 108.800 -0.018 0.000 2.687 33 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.209 33 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.209 33 G C 0.285 175.159 174.900 -0.043 0.000 1.146 33 G CA 0.112 45.195 45.100 -0.028 0.000 0.787 33 G HN 0.387 nan 8.290 nan 0.000 0.532 34 I N 0.959 121.502 120.570 -0.045 0.000 2.328 34 I HA 0.320 4.490 4.170 -0.001 0.000 0.287 34 I C 0.080 176.140 176.117 -0.096 0.000 1.012 34 I CA -1.385 59.875 61.300 -0.067 0.000 1.195 34 I CB 1.088 39.058 38.000 -0.050 0.000 1.350 34 I HN -0.139 nan 8.210 nan 0.000 0.464 35 L N 6.764 127.901 121.223 -0.142 0.000 2.536 35 L HA 0.141 4.481 4.340 -0.001 0.000 0.282 35 L C 0.524 177.177 176.870 -0.361 0.000 1.174 35 L CA 0.093 54.784 54.840 -0.248 0.000 0.989 35 L CB -0.326 41.576 42.059 -0.261 0.000 1.311 35 L HN 0.613 nan 8.230 nan 0.000 0.455 36 S N 2.931 118.472 115.700 -0.264 0.000 2.452 36 S HA 0.377 4.847 4.470 -0.001 0.000 0.284 36 S C 0.392 174.893 174.600 -0.164 0.000 1.171 36 S CA -0.536 57.568 58.200 -0.160 0.000 1.064 36 S CB 0.282 63.479 63.200 -0.005 0.000 0.967 36 S HN 0.436 nan 8.310 nan 0.000 0.484 37 F N 3.162 123.223 119.950 0.185 0.000 2.639 37 F HA 0.410 4.937 4.527 -0.001 0.000 0.300 37 F C 1.134 177.098 175.800 0.273 0.000 1.109 37 F CA -0.603 57.529 58.000 0.221 0.000 1.335 37 F CB 0.282 39.423 39.000 0.235 0.000 1.014 37 F HN 0.619 nan 8.300 nan 0.000 0.537 38 A N 0.531 123.570 122.820 0.364 0.000 2.312 38 A HA 0.689 5.009 4.320 -0.001 0.000 0.326 38 A C 0.527 178.288 177.584 0.295 0.000 1.172 38 A CA -0.097 52.143 52.037 0.338 0.000 0.821 38 A CB 0.313 19.479 19.000 0.278 0.000 1.166 38 A HN 0.525 nan 8.150 nan 0.000 0.493 39 G N 0.703 109.697 108.800 0.322 0.000 3.285 39 G HA2 0.250 4.209 3.960 -0.001 0.000 0.685 39 G HA3 0.250 4.209 3.960 -0.001 0.000 0.685 39 G C 0.499 175.614 174.900 0.359 0.000 0.938 39 G CA -0.093 45.193 45.100 0.310 0.000 0.778 39 G HN 1.948 nan 8.290 nan 0.000 0.515 40 G N 1.023 110.095 108.800 0.453 0.000 3.284 40 G HA2 0.469 4.429 3.960 -0.001 0.000 0.251 40 G HA3 0.469 4.429 3.960 -0.001 0.000 0.251 40 G C 0.499 175.532 174.900 0.223 0.000 0.913 40 G CA -0.385 44.931 45.100 0.361 0.000 1.947 40 G HN 0.767 nan 8.290 nan 0.000 0.635 41 L N 2.017 123.365 121.223 0.208 0.000 2.385 41 L HA 0.296 4.635 4.340 -0.001 0.000 0.281 41 L C -1.788 175.194 176.870 0.186 0.000 1.106 41 L CA -1.512 53.446 54.840 0.197 0.000 0.856 41 L CB 1.184 43.351 42.059 0.180 0.000 1.186 41 L HN 0.103 nan 8.230 nan 0.000 0.453 42 P HA 0.019 nan 4.420 nan 0.000 0.270 42 P C -0.773 176.562 177.300 0.058 0.000 1.227 42 P CA -0.364 62.879 63.100 0.239 0.000 0.788 42 P CB 0.502 32.388 31.700 0.310 0.000 0.926 43 A N 4.008 126.862 122.820 0.056 0.000 2.496 43 A HA 0.145 4.464 4.320 -0.001 0.000 0.278 43 A C -1.165 176.091 177.584 -0.547 0.000 1.137 43 A CA -0.554 51.361 52.037 -0.202 0.000 0.805 43 A CB -0.955 17.861 19.000 -0.306 0.000 1.077 43 A HN 0.422 nan 8.150 nan 0.000 0.513 44 P HA -0.192 nan 4.420 nan 0.000 0.223 44 P C 1.155 178.102 177.300 -0.589 0.000 1.151 44 P CA 1.214 63.674 63.100 -1.066 0.000 0.787 44 P CB 0.174 31.644 31.700 -0.383 0.000 0.788 45 E N 0.139 120.146 120.200 -0.321 0.000 2.209 45 E HA -0.163 4.187 4.350 -0.001 0.000 0.196 45 E C 1.608 178.123 176.600 -0.142 0.000 0.993 45 E CA 0.980 57.278 56.400 -0.170 0.000 0.819 45 E CB -1.133 28.489 29.700 -0.131 0.000 0.745 45 E HN 0.185 nan 8.360 nan 0.000 0.477 46 L N 0.549 121.645 121.223 -0.213 0.000 2.465 46 L HA 0.076 4.415 4.340 -0.001 0.000 0.224 46 L C 0.382 177.308 176.870 0.094 0.000 1.145 46 L CA 0.440 55.240 54.840 -0.067 0.000 0.834 46 L CB -0.730 41.307 42.059 -0.036 0.000 0.944 46 L HN -0.043 nan 8.230 nan 0.000 0.451 47 F N 2.163 122.139 119.950 0.042 0.000 2.533 47 F HA 0.193 4.720 4.527 -0.000 0.000 0.378 47 F C -1.374 174.440 175.800 0.023 0.000 1.070 47 F CA -3.269 54.754 58.000 0.039 0.000 1.172 47 F CB -0.641 38.380 39.000 0.036 0.000 1.085 47 F HN 0.053 nan 8.300 nan 0.000 0.552 48 P HA 0.105 nan 4.420 nan 0.000 0.244 48 P C 0.367 177.710 177.300 0.072 0.000 1.769 48 P CA -0.146 63.017 63.100 0.106 0.000 1.102 48 P CB 0.280 32.023 31.700 0.070 0.000 1.937 49 K N 1.103 121.555 120.400 0.086 0.000 2.002 49 K HA -0.205 4.114 4.320 -0.001 0.000 0.209 49 K C 1.789 178.401 176.600 0.019 0.000 1.048 49 K CA 1.509 57.826 56.287 0.050 0.000 0.930 49 K CB -0.090 32.450 32.500 0.066 0.000 0.714 49 K HN 0.229 nan 8.250 nan 0.000 0.438 50 E N 1.636 121.848 120.200 0.021 0.000 2.077 50 E HA -0.179 4.170 4.350 -0.001 0.000 0.193 50 E C 1.676 178.273 176.600 -0.004 0.000 0.989 50 E CA 1.565 57.969 56.400 0.007 0.000 0.800 50 E CB 0.012 29.717 29.700 0.009 0.000 0.746 50 E HN 0.275 nan 8.360 nan 0.000 0.452 51 E N -0.288 119.910 120.200 -0.003 0.000 2.077 51 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 51 E C 1.996 178.576 176.600 -0.032 0.000 0.989 51 E CA 1.032 57.422 56.400 -0.017 0.000 0.800 51 E CB -0.206 29.485 29.700 -0.015 0.000 0.746 51 E HN 0.375 nan 8.360 nan 0.000 0.452 52 A N 1.421 124.223 122.820 -0.030 0.000 1.898 52 A HA -0.053 4.267 4.320 -0.001 0.000 0.216 52 A C 2.384 179.940 177.584 -0.046 0.000 1.181 52 A CA 1.466 53.474 52.037 -0.048 0.000 0.620 52 A CB -0.603 18.365 19.000 -0.054 0.000 0.819 52 A HN 0.286 nan 8.150 nan 0.000 0.442 53 A N -0.236 122.565 122.820 -0.033 0.000 1.865 53 A HA -0.234 4.086 4.320 -0.001 0.000 0.217 53 A C 2.101 179.666 177.584 -0.032 0.000 1.191 53 A CA 1.992 54.011 52.037 -0.029 0.000 0.623 53 A CB -0.582 18.407 19.000 -0.018 0.000 0.826 53 A HN 0.508 nan 8.150 nan 0.000 0.444 54 E N 0.337 120.519 120.200 -0.029 0.000 2.038 54 E HA -0.192 4.158 4.350 -0.001 0.000 0.195 54 E C 2.239 178.815 176.600 -0.039 0.000 1.000 54 E CA 1.648 58.030 56.400 -0.030 0.000 0.803 54 E CB -0.452 29.233 29.700 -0.026 0.000 0.750 54 E HN 0.456 nan 8.360 nan 0.000 0.448 55 A N 1.105 123.896 122.820 -0.049 0.000 1.898 55 A HA -0.012 4.307 4.320 -0.001 0.000 0.216 55 A C 2.440 179.986 177.584 -0.063 0.000 1.181 55 A CA 2.152 54.153 52.037 -0.061 0.000 0.620 55 A CB -0.688 18.265 19.000 -0.079 0.000 0.819 55 A HN 0.369 nan 8.150 nan 0.000 0.442 56 A N -0.037 122.745 122.820 -0.063 0.000 1.902 56 A HA 0.177 4.497 4.320 -0.001 0.000 0.217 56 A C 2.516 180.067 177.584 -0.054 0.000 1.181 56 A CA 2.049 54.047 52.037 -0.065 0.000 0.623 56 A CB -1.062 17.901 19.000 -0.063 0.000 0.818 56 A HN 1.030 nan 8.150 nan 0.000 0.443 57 A N -0.068 122.726 122.820 -0.044 0.000 1.883 57 A HA -0.222 4.098 4.320 -0.001 0.000 0.217 57 A C 2.262 179.824 177.584 -0.036 0.000 1.186 57 A CA 2.013 54.028 52.037 -0.037 0.000 0.624 57 A CB -0.555 18.427 19.000 -0.030 0.000 0.822 57 A HN 0.574 nan 8.150 nan 0.000 0.444 58 R N -0.410 120.068 120.500 -0.037 0.000 2.096 58 R HA -0.084 4.256 4.340 -0.001 0.000 0.235 58 R C 1.912 178.189 176.300 -0.038 0.000 1.127 58 R CA 1.736 57.816 56.100 -0.033 0.000 0.968 58 R CB -0.414 29.866 30.300 -0.032 0.000 0.861 58 R HN 0.550 nan 8.270 nan 0.000 0.440 59 I N 0.505 121.044 120.570 -0.051 0.000 2.202 59 I HA -0.285 3.885 4.170 -0.001 0.000 0.242 59 I C 2.085 178.167 176.117 -0.058 0.000 1.091 59 I CA 1.170 62.433 61.300 -0.063 0.000 1.368 59 I CB -0.106 37.838 38.000 -0.094 0.000 1.058 59 I HN 0.212 nan 8.210 nan 0.000 0.410 60 L N -0.120 121.070 121.223 -0.055 0.000 2.109 60 L HA -0.130 4.210 4.340 -0.001 0.000 0.207 60 L C 2.696 179.543 176.870 -0.037 0.000 1.086 60 L CA 1.203 56.014 54.840 -0.049 0.000 0.760 60 L CB -0.456 41.574 42.059 -0.047 0.000 0.910 60 L HN 0.113 nan 8.230 nan 0.000 0.437 61 R N -0.157 120.324 120.500 -0.032 0.000 2.092 61 R HA -0.122 4.218 4.340 -0.001 0.000 0.231 61 R C 1.908 178.195 176.300 -0.022 0.000 1.119 61 R CA 1.322 57.407 56.100 -0.025 0.000 0.970 61 R CB -0.034 30.253 30.300 -0.021 0.000 0.864 61 R HN 0.416 nan 8.270 nan 0.000 0.440 62 E N -0.685 119.501 120.200 -0.022 0.000 2.340 62 E HA 0.035 4.385 4.350 -0.001 0.000 0.198 62 E C 0.621 177.212 176.600 -0.015 0.000 0.961 62 E CA 0.459 56.849 56.400 -0.015 0.000 0.905 62 E CB 0.643 30.336 29.700 -0.012 0.000 0.884 62 E HN 0.037 nan 8.360 nan 0.000 0.491 63 K N -0.274 120.111 120.400 -0.025 0.000 2.619 63 K HA 0.163 4.483 4.320 -0.001 0.000 0.201 63 K C 1.149 177.724 176.600 -0.042 0.000 1.090 63 K CA -0.099 56.172 56.287 -0.027 0.000 1.063 63 K CB 1.332 33.813 32.500 -0.032 0.000 0.810 63 K HN 0.066 nan 8.250 nan 0.000 0.506 64 G N 2.109 110.886 108.800 -0.038 0.000 2.462 64 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.220 64 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.220 64 G C 1.403 176.279 174.900 -0.041 0.000 1.121 64 G CA 1.007 46.081 45.100 -0.043 0.000 0.758 64 G HN 0.379 nan 8.290 nan 0.000 0.559 65 E N 1.028 121.210 120.200 -0.030 0.000 2.152 65 E HA -0.074 4.276 4.350 -0.001 0.000 0.192 65 E C 2.472 179.056 176.600 -0.027 0.000 0.983 65 E CA 1.294 57.679 56.400 -0.025 0.000 0.818 65 E CB -1.073 28.619 29.700 -0.014 0.000 0.758 65 E HN 0.340 nan 8.360 nan 0.000 0.467 66 V N 1.219 121.114 119.914 -0.030 0.000 2.407 66 V HA 0.039 4.158 4.120 -0.001 0.000 0.245 66 V C 2.409 178.460 176.094 -0.072 0.000 1.041 66 V CA 1.932 64.209 62.300 -0.038 0.000 1.040 66 V CB -0.495 31.317 31.823 -0.019 0.000 0.671 66 V HN 0.333 nan 8.190 nan 0.000 0.455 67 A N -0.307 122.459 122.820 -0.091 0.000 1.972 67 A HA -0.072 4.248 4.320 -0.001 0.000 0.219 67 A C 1.945 179.486 177.584 -0.071 0.000 1.169 67 A CA 1.995 53.968 52.037 -0.108 0.000 0.635 67 A CB -0.436 18.497 19.000 -0.111 0.000 0.810 67 A HN 0.524 nan 8.150 nan 0.000 0.446 68 L N -1.483 119.703 121.223 -0.062 0.000 2.590 68 L HA 0.261 4.600 4.340 -0.001 0.000 0.227 68 L C 0.798 177.621 176.870 -0.078 0.000 1.099 68 L CA 0.541 55.343 54.840 -0.063 0.000 0.872 68 L CB -0.366 41.657 42.059 -0.060 0.000 1.088 68 L HN 0.436 nan 8.230 nan 0.000 0.479 69 Q N -1.152 118.611 119.800 -0.062 0.000 2.205 69 Q HA 0.236 4.575 4.340 -0.001 0.000 0.249 69 Q C -0.952 175.033 176.000 -0.025 0.000 0.948 69 Q CA -0.462 55.304 55.803 -0.061 0.000 0.895 69 Q CB 0.714 29.442 28.738 -0.017 0.000 1.249 69 Q HN 0.067 nan 8.270 nan 0.000 0.458 70 Y N 0.632 120.963 120.300 0.053 0.000 2.788 70 Y HA 0.208 4.758 4.550 -0.001 0.000 0.341 70 Y C 0.741 176.542 175.900 -0.165 0.000 1.258 70 Y CA 1.095 59.234 58.100 0.065 0.000 1.503 70 Y CB 0.452 38.969 38.460 0.095 0.000 1.325 70 Y HN 0.591 nan 8.280 nan 0.000 0.614 71 S N 2.414 117.930 115.700 -0.307 0.000 2.638 71 S HA 0.688 5.158 4.470 -0.001 0.000 0.274 71 S C -3.063 171.361 174.600 -0.294 0.000 1.157 71 S CA -1.640 56.340 58.200 -0.368 0.000 0.826 71 S CB 1.553 64.457 63.200 -0.492 0.000 1.139 71 S HN 0.265 nan 8.310 nan 0.000 0.474 72 P HA 0.267 nan 4.420 nan 0.000 0.269 72 P C 0.588 177.901 177.300 0.021 0.000 1.209 72 P CA -0.178 62.903 63.100 -0.031 0.000 0.776 72 P CB 0.236 31.933 31.700 -0.005 0.000 0.876 73 T N 0.617 115.210 114.554 0.065 0.000 2.759 73 T HA -0.161 4.189 4.350 -0.001 0.000 0.269 73 T C 1.227 175.990 174.700 0.105 0.000 1.042 73 T CA 1.613 63.779 62.100 0.111 0.000 1.140 73 T CB -0.408 68.506 68.868 0.075 0.000 0.864 73 T HN 0.514 nan 8.240 nan 0.000 0.455 74 E N 0.379 120.623 120.200 0.074 0.000 2.208 74 E HA 0.322 4.672 4.350 -0.001 0.000 0.193 74 E C 1.107 177.763 176.600 0.092 0.000 0.988 74 E CA 0.592 57.036 56.400 0.074 0.000 0.828 74 E CB -0.015 29.714 29.700 0.048 0.000 0.763 74 E HN 0.579 nan 8.360 nan 0.000 0.478 75 G N -0.687 108.169 108.800 0.093 0.000 2.340 75 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.527 75 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.527 75 G C -1.653 173.319 174.900 0.120 0.000 1.381 75 G CA -0.830 44.343 45.100 0.122 0.000 1.001 75 G HN 0.051 nan 8.290 nan 0.000 0.626 76 Y N 1.915 122.210 120.300 -0.008 0.000 2.650 76 Y HA 0.402 4.951 4.550 -0.001 0.000 0.331 76 Y C 1.632 177.490 175.900 -0.069 0.000 1.165 76 Y CA 0.864 58.934 58.100 -0.050 0.000 1.473 76 Y CB 0.823 39.245 38.460 -0.064 0.000 1.224 76 Y HN 1.136 nan 8.280 nan 0.000 0.533 77 A N 7.566 130.192 122.820 -0.323 0.000 1.892 77 A HA -0.143 4.177 4.320 -0.001 0.000 0.218 77 A C -0.388 176.915 177.584 -0.469 0.000 1.188 77 A CA 1.756 53.601 52.037 -0.321 0.000 0.631 77 A CB -1.772 17.090 19.000 -0.229 0.000 0.822 77 A HN 0.716 nan 8.150 nan 0.000 0.447 78 P HA -0.102 nan 4.420 nan 0.000 0.220 78 P C 1.623 178.448 177.300 -0.791 0.000 1.148 78 P CA 0.550 63.158 63.100 -0.820 0.000 0.803 78 P CB -0.078 30.990 31.700 -1.054 0.000 0.782 79 L N -0.666 120.172 121.223 -0.642 0.000 2.027 79 L HA -0.158 4.181 4.340 -0.001 0.000 0.206 79 L C 2.516 179.386 176.870 0.001 0.000 1.074 79 L CA 1.670 56.401 54.840 -0.182 0.000 0.745 79 L CB -0.312 41.776 42.059 0.048 0.000 0.898 79 L HN -0.059 nan 8.230 nan 0.000 0.433 80 R N -0.403 120.068 120.500 -0.049 0.000 2.091 80 R HA -0.181 4.159 4.340 -0.001 0.000 0.238 80 R C 2.178 178.472 176.300 -0.011 0.000 1.136 80 R CA 1.433 57.529 56.100 -0.007 0.000 0.959 80 R CB -0.477 29.809 30.300 -0.022 0.000 0.856 80 R HN 0.415 nan 8.270 nan 0.000 0.437 81 A N 0.843 123.637 122.820 -0.043 0.000 1.898 81 A HA -0.163 4.156 4.320 -0.001 0.000 0.216 81 A C 1.963 179.583 177.584 0.059 0.000 1.181 81 A CA 0.869 52.898 52.037 -0.014 0.000 0.620 81 A CB -0.616 18.356 19.000 -0.046 0.000 0.819 81 A HN 0.320 nan 8.150 nan 0.000 0.442 82 F N 0.931 120.863 119.950 -0.030 0.000 2.043 82 F HA -0.225 4.301 4.527 -0.001 0.000 0.297 82 F C 2.271 178.146 175.800 0.125 0.000 1.121 82 F CA 2.342 60.386 58.000 0.074 0.000 1.199 82 F CB -0.415 38.659 39.000 0.123 0.000 0.968 82 F HN 0.035 nan 8.300 nan 0.000 0.478 83 V N 0.599 120.660 119.914 0.245 0.000 2.332 83 V HA -0.337 3.783 4.120 -0.001 0.000 0.248 83 V C 2.725 178.762 176.094 -0.096 0.000 1.055 83 V CA 1.801 64.121 62.300 0.034 0.000 1.038 83 V CB -1.629 30.049 31.823 -0.242 0.000 0.651 83 V HN 0.538 nan 8.190 nan 0.000 0.450 84 A N -0.327 122.457 122.820 -0.060 0.000 1.940 84 A HA -0.297 4.023 4.320 -0.001 0.000 0.219 84 A C 2.251 179.810 177.584 -0.042 0.000 1.176 84 A CA 2.215 54.217 52.037 -0.058 0.000 0.631 84 A CB -0.455 18.526 19.000 -0.031 0.000 0.814 84 A HN 0.637 nan 8.150 nan 0.000 0.446 85 E N -1.676 118.502 120.200 -0.037 0.000 2.076 85 E HA -0.178 4.172 4.350 -0.001 0.000 0.190 85 E C 1.726 178.341 176.600 0.026 0.000 0.979 85 E CA 1.083 57.467 56.400 -0.026 0.000 0.807 85 E CB -0.298 29.367 29.700 -0.057 0.000 0.761 85 E HN 0.725 nan 8.360 nan 0.000 0.454 86 W N 1.097 122.256 121.300 -0.235 0.000 2.355 86 W HA -0.154 4.505 4.660 -0.001 0.000 0.309 86 W C 1.485 177.961 176.519 -0.072 0.000 1.206 86 W CA 1.180 58.433 57.345 -0.153 0.000 1.284 86 W CB -0.270 29.099 29.460 -0.153 0.000 1.145 86 W HN 0.144 nan 8.180 nan 0.000 0.502 87 I N 0.186 120.665 120.570 -0.153 0.000 2.584 87 I HA 0.197 4.367 4.170 -0.001 0.000 0.255 87 I C 1.779 177.810 176.117 -0.143 0.000 1.145 87 I CA 1.611 62.724 61.300 -0.311 0.000 1.462 87 I CB -1.798 35.958 38.000 -0.407 0.000 1.102 87 I HN 0.220 nan 8.210 nan 0.000 0.433 88 G N 2.052 110.817 108.800 -0.059 0.000 2.288 88 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.205 88 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.205 88 G C 0.050 174.966 174.900 0.026 0.000 1.071 88 G CA 0.188 45.285 45.100 -0.005 0.000 0.788 88 G HN 0.416 nan 8.290 nan 0.000 0.491 89 V N -4.003 115.916 119.914 0.007 0.000 3.105 89 V HA 0.917 5.036 4.120 -0.001 0.000 0.311 89 V C 0.317 176.414 176.094 0.005 0.000 1.287 89 V CA -1.926 60.392 62.300 0.031 0.000 1.066 89 V CB 1.329 33.183 31.823 0.052 0.000 1.105 89 V HN 0.391 nan 8.190 nan 0.000 0.462 90 R N 0.576 121.081 120.500 0.008 0.000 2.457 90 R HA 0.472 4.812 4.340 -0.001 0.000 0.284 90 R C -1.975 174.321 176.300 -0.007 0.000 1.024 90 R CA -1.534 54.564 56.100 -0.003 0.000 1.025 90 R CB 1.077 31.374 30.300 -0.005 0.000 1.063 90 R HN 0.508 nan 8.270 nan 0.000 0.493 91 P HA -0.274 nan 4.420 nan 0.000 0.217 91 P C 0.391 177.687 177.300 -0.006 0.000 1.151 91 P CA 1.473 64.564 63.100 -0.016 0.000 0.849 91 P CB 0.098 31.782 31.700 -0.027 0.000 0.787 92 E N 0.059 120.255 120.200 -0.006 0.000 2.401 92 E HA -0.182 4.168 4.350 -0.001 0.000 0.199 92 E C 1.046 177.651 176.600 0.008 0.000 1.023 92 E CA 0.910 57.308 56.400 -0.002 0.000 0.859 92 E CB -0.702 28.991 29.700 -0.011 0.000 0.780 92 E HN 0.430 nan 8.360 nan 0.000 0.523 93 E N 0.810 121.019 120.200 0.015 0.000 2.498 93 E HA 0.138 4.487 4.350 -0.001 0.000 0.203 93 E C -0.418 176.211 176.600 0.050 0.000 1.013 93 E CA -0.129 56.291 56.400 0.034 0.000 0.927 93 E CB 1.241 30.967 29.700 0.043 0.000 1.012 93 E HN 0.020 nan 8.360 nan 0.000 0.482 94 V N 2.249 122.189 119.914 0.042 0.000 2.459 94 V HA 0.305 4.425 4.120 -0.001 0.000 0.295 94 V C -0.651 175.496 176.094 0.089 0.000 1.029 94 V CA -0.932 61.406 62.300 0.063 0.000 0.874 94 V CB 1.800 33.636 31.823 0.021 0.000 0.985 94 V HN 0.080 nan 8.190 nan 0.000 0.438 95 L N 6.311 127.614 121.223 0.133 0.000 2.356 95 L HA 0.638 4.978 4.340 -0.001 0.000 0.277 95 L C -0.653 176.333 176.870 0.194 0.000 0.996 95 L CA -0.178 54.743 54.840 0.135 0.000 0.822 95 L CB 1.423 43.550 42.059 0.112 0.000 1.256 95 L HN 0.405 nan 8.230 nan 0.000 0.413 96 I N 4.126 124.811 120.570 0.190 0.000 2.416 96 I HA 0.357 4.526 4.170 -0.001 0.000 0.288 96 I C 0.751 176.981 176.117 0.189 0.000 1.051 96 I CA 0.030 61.473 61.300 0.239 0.000 1.375 96 I CB 0.828 38.968 38.000 0.232 0.000 1.407 96 I HN 0.797 nan 8.210 nan 0.000 0.516 97 T N 1.114 115.778 114.554 0.182 0.000 2.942 97 T HA 0.436 4.786 4.350 -0.001 0.000 0.289 97 T C 0.174 174.943 174.700 0.115 0.000 1.044 97 T CA -0.675 61.498 62.100 0.121 0.000 1.023 97 T CB 1.411 70.326 68.868 0.078 0.000 1.123 97 T HN 0.477 nan 8.240 nan 0.000 0.512 98 T N 2.161 116.764 114.554 0.081 0.000 3.945 98 T HA 0.572 4.922 4.350 -0.001 0.000 0.306 98 T C 0.801 175.533 174.700 0.054 0.000 1.475 98 T CA 0.323 62.463 62.100 0.067 0.000 1.177 98 T CB -1.037 67.857 68.868 0.042 0.000 1.272 98 T HN 1.372 nan 8.240 nan 0.000 0.930 99 G N 1.497 110.337 108.800 0.065 0.000 2.787 99 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.685 99 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.685 99 G C 0.807 175.709 174.900 0.004 0.000 1.437 99 G CA -0.413 44.710 45.100 0.039 0.000 0.872 99 G HN 0.359 nan 8.290 nan 0.000 0.566 100 S N -0.240 115.434 115.700 -0.044 0.000 2.447 100 S HA -0.113 4.357 4.470 -0.001 0.000 0.233 100 S C 2.200 176.801 174.600 0.001 0.000 1.006 100 S CA 1.865 60.023 58.200 -0.069 0.000 0.957 100 S CB -0.082 63.035 63.200 -0.139 0.000 0.773 100 S HN 0.796 nan 8.310 nan 0.000 0.507 101 Q N 2.145 121.963 119.800 0.030 0.000 2.096 101 Q HA -0.181 4.159 4.340 -0.001 0.000 0.204 101 Q C 2.069 178.079 176.000 0.016 0.000 0.982 101 Q CA 1.936 57.762 55.803 0.037 0.000 0.850 101 Q CB -0.474 28.289 28.738 0.041 0.000 0.901 101 Q HN 0.678 nan 8.270 nan 0.000 0.422 102 Q N -0.993 118.820 119.800 0.021 0.000 2.084 102 Q HA -0.181 4.158 4.340 -0.001 0.000 0.202 102 Q C 1.883 177.906 176.000 0.039 0.000 0.978 102 Q CA 1.694 57.514 55.803 0.028 0.000 0.844 102 Q CB -0.378 28.380 28.738 0.033 0.000 0.898 102 Q HN 0.465 nan 8.270 nan 0.000 0.426 103 A N 0.936 123.777 122.820 0.034 0.000 1.908 103 A HA -0.187 4.133 4.320 -0.001 0.000 0.218 103 A C 2.082 179.711 177.584 0.075 0.000 1.181 103 A CA 1.516 53.577 52.037 0.040 0.000 0.627 103 A CB -0.824 18.176 19.000 0.001 0.000 0.818 103 A HN 0.481 nan 8.150 nan 0.000 0.445 104 L N -0.714 120.556 121.223 0.078 0.000 2.042 104 L HA -0.228 4.111 4.340 -0.001 0.000 0.210 104 L C 2.435 179.430 176.870 0.208 0.000 1.076 104 L CA 1.821 56.744 54.840 0.138 0.000 0.749 104 L CB -0.695 41.326 42.059 -0.064 0.000 0.893 104 L HN 0.450 nan 8.230 nan 0.000 0.432 105 D N 0.286 120.745 120.400 0.098 0.000 2.104 105 D HA -0.191 4.449 4.640 -0.001 0.000 0.194 105 D C 2.251 178.625 176.300 0.124 0.000 0.994 105 D CA 1.369 55.432 54.000 0.105 0.000 0.830 105 D CB -0.019 40.808 40.800 0.046 0.000 0.959 105 D HN 0.203 nan 8.370 nan 0.000 0.452 106 L N -0.472 120.810 121.223 0.097 0.000 2.056 106 L HA -0.115 4.225 4.340 -0.001 0.000 0.207 106 L C 2.631 179.559 176.870 0.097 0.000 1.078 106 L CA 0.498 55.384 54.840 0.077 0.000 0.749 106 L CB -0.545 41.549 42.059 0.058 0.000 0.901 106 L HN 0.019 nan 8.230 nan 0.000 0.433 107 V N 0.614 120.610 119.914 0.137 0.000 2.332 107 V HA -0.229 3.891 4.120 -0.001 0.000 0.248 107 V C 2.659 178.884 176.094 0.218 0.000 1.055 107 V CA 2.079 64.475 62.300 0.160 0.000 1.038 107 V CB -1.213 30.576 31.823 -0.057 0.000 0.651 107 V HN 0.580 nan 8.190 nan 0.000 0.450 108 G N -0.289 108.671 108.800 0.266 0.000 2.446 108 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.217 108 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.217 108 G C 1.649 176.651 174.900 0.170 0.000 1.168 108 G CA 0.992 46.259 45.100 0.278 0.000 0.771 108 G HN 0.482 nan 8.290 nan 0.000 0.551 109 K N -0.291 120.178 120.400 0.114 0.000 2.057 109 K HA -0.015 4.305 4.320 -0.001 0.000 0.207 109 K C 2.493 179.080 176.600 -0.021 0.000 1.049 109 K CA 1.244 57.557 56.287 0.042 0.000 0.931 109 K CB -0.405 32.111 32.500 0.025 0.000 0.714 109 K HN 0.219 nan 8.250 nan 0.000 0.440 110 V N 0.006 119.868 119.914 -0.087 0.000 2.719 110 V HA -0.112 4.008 4.120 -0.001 0.000 0.252 110 V C 1.143 176.970 176.094 -0.445 0.000 1.065 110 V CA 1.512 63.614 62.300 -0.330 0.000 1.086 110 V CB -0.167 31.343 31.823 -0.521 0.000 0.700 110 V HN 0.182 nan 8.190 nan 0.000 0.467 111 F N -0.308 119.666 119.950 0.040 0.000 2.680 111 F HA 0.447 4.974 4.527 -0.000 0.000 0.290 111 F C 0.806 176.640 175.800 0.057 0.000 1.114 111 F CA -0.185 57.865 58.000 0.083 0.000 1.333 111 F CB 0.260 39.383 39.000 0.205 0.000 1.091 111 F HN -0.033 nan 8.300 nan 0.000 0.606 112 L N 0.905 122.241 121.223 0.188 0.000 2.322 112 L HA 0.426 4.766 4.340 -0.001 0.000 0.279 112 L C -0.658 176.221 176.870 0.013 0.000 1.036 112 L CA -0.672 54.200 54.840 0.054 0.000 0.807 112 L CB 1.069 43.127 42.059 -0.002 0.000 1.226 112 L HN -0.086 nan 8.230 nan 0.000 0.433 113 D N 0.490 120.879 120.400 -0.018 0.000 2.497 113 D HA 0.160 4.800 4.640 -0.001 0.000 0.243 113 D C -0.686 175.590 176.300 -0.040 0.000 1.039 113 D CA -0.628 53.360 54.000 -0.021 0.000 1.052 113 D CB 1.653 42.443 40.800 -0.017 0.000 1.344 113 D HN 0.450 nan 8.370 nan 0.000 0.553 114 E N -0.195 119.987 120.200 -0.030 0.000 2.493 114 E HA 0.217 4.566 4.350 -0.001 0.000 0.255 114 E C 0.786 177.360 176.600 -0.044 0.000 0.999 114 E CA 0.666 57.045 56.400 -0.034 0.000 0.934 114 E CB -0.064 29.627 29.700 -0.017 0.000 0.940 114 E HN 0.681 nan 8.360 nan 0.000 0.473 115 G N 3.285 112.047 108.800 -0.062 0.000 2.179 115 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.260 115 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.260 115 G C 0.291 175.139 174.900 -0.086 0.000 0.977 115 G CA 0.266 45.327 45.100 -0.065 0.000 0.641 115 G HN 0.566 nan 8.290 nan 0.000 0.533 116 S N 3.085 118.723 115.700 -0.104 0.000 2.537 116 S HA 0.431 4.901 4.470 -0.001 0.000 0.286 116 S C -1.611 172.878 174.600 -0.185 0.000 1.299 116 S CA -0.193 57.934 58.200 -0.121 0.000 1.067 116 S CB 1.262 64.393 63.200 -0.115 0.000 0.864 116 S HN 0.409 nan 8.310 nan 0.000 0.494 117 P HA 0.235 nan 4.420 nan 0.000 0.276 117 P C -1.120 175.998 177.300 -0.303 0.000 1.235 117 P CA -0.263 62.721 63.100 -0.193 0.000 0.772 117 P CB 0.560 32.186 31.700 -0.124 0.000 0.871 118 V N 4.209 123.904 119.914 -0.365 0.000 2.709 118 V HA 0.410 4.530 4.120 -0.001 0.000 0.308 118 V C 0.019 175.968 176.094 -0.241 0.000 1.062 118 V CA -0.919 61.076 62.300 -0.508 0.000 0.901 118 V CB 2.188 33.563 31.823 -0.747 0.000 1.003 118 V HN 0.437 nan 8.190 nan 0.000 0.425 119 L N 6.163 127.265 121.223 -0.202 0.000 2.296 119 L HA 0.845 5.185 4.340 -0.001 0.000 0.286 119 L C -0.722 176.200 176.870 0.086 0.000 1.023 119 L CA -0.294 54.531 54.840 -0.024 0.000 0.812 119 L CB 1.129 43.171 42.059 -0.028 0.000 1.223 119 L HN 0.803 nan 8.230 nan 0.000 0.421 120 L N 0.904 122.226 121.223 0.164 0.000 2.491 120 L HA 0.656 4.996 4.340 -0.001 0.000 0.254 120 L C -1.051 175.897 176.870 0.129 0.000 1.048 120 L CA -1.048 53.930 54.840 0.231 0.000 0.855 120 L CB 1.956 44.254 42.059 0.399 0.000 1.466 120 L HN 0.491 nan 8.230 nan 0.000 0.409 121 E N 0.572 120.825 120.200 0.088 0.000 2.371 121 E HA 0.564 4.914 4.350 -0.001 0.000 0.257 121 E C -0.521 176.053 176.600 -0.044 0.000 1.134 121 E CA -0.365 56.037 56.400 0.003 0.000 0.919 121 E CB 1.285 30.953 29.700 -0.054 0.000 1.025 121 E HN 0.695 nan 8.360 nan 0.000 0.438 122 A N 3.068 125.850 122.820 -0.064 0.000 2.293 122 A HA 0.428 4.748 4.320 -0.001 0.000 0.312 122 A C -2.374 175.051 177.584 -0.265 0.000 1.309 122 A CA -1.501 50.459 52.037 -0.130 0.000 0.839 122 A CB 0.498 19.588 19.000 0.151 0.000 1.155 122 A HN 0.321 nan 8.150 nan 0.000 0.501 123 P HA 0.537 nan 4.420 nan 0.000 0.279 123 P C -0.032 176.983 177.300 -0.475 0.000 1.276 123 P CA -0.231 62.246 63.100 -1.037 0.000 0.801 123 P CB 1.782 32.636 31.700 -1.410 0.000 1.127 124 S N -1.503 114.034 115.700 -0.271 0.000 2.752 124 S HA 0.361 4.831 4.470 -0.001 0.000 0.284 124 S C -1.581 173.109 174.600 0.151 0.000 1.189 124 S CA -0.567 57.617 58.200 -0.028 0.000 0.835 124 S CB 0.093 63.355 63.200 0.103 0.000 1.192 124 S HN 0.347 nan 8.310 nan 0.000 0.506 125 Y N 2.412 122.791 120.300 0.132 0.000 2.496 125 Y HA 0.259 4.809 4.550 -0.001 0.000 0.334 125 Y C 1.439 177.313 175.900 -0.043 0.000 1.080 125 Y CA 0.412 58.593 58.100 0.136 0.000 1.355 125 Y CB 0.325 38.901 38.460 0.193 0.000 1.193 125 Y HN 0.775 nan 8.280 nan 0.000 0.523 126 M N 4.376 123.678 119.600 -0.496 0.000 2.108 126 M HA -0.155 4.324 4.480 -0.001 0.000 0.261 126 M C 2.022 177.778 176.300 -0.906 0.000 1.066 126 M CA 2.330 57.181 55.300 -0.749 0.000 1.107 126 M CB -0.493 31.609 32.600 -0.830 0.000 1.356 126 M HN 0.990 nan 8.290 nan 0.000 0.406 127 G N -0.824 107.049 108.800 -1.544 0.000 2.422 127 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.218 127 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.218 127 G C 1.444 175.828 174.900 -0.860 0.000 1.146 127 G CA 0.932 45.384 45.100 -1.080 0.000 0.769 127 G HN 0.610 nan 8.290 nan 0.000 0.547 128 A N 0.812 123.030 122.820 -1.002 0.000 1.872 128 A HA 0.110 4.429 4.320 -0.001 0.000 0.214 128 A C 2.373 179.296 177.584 -1.103 0.000 1.187 128 A CA 1.164 52.517 52.037 -1.141 0.000 0.614 128 A CB -0.354 17.915 19.000 -1.219 0.000 0.826 128 A HN 0.340 nan 8.150 nan 0.000 0.442 129 I N -0.536 119.650 120.570 -0.640 0.000 2.151 129 I HA -0.359 3.811 4.170 -0.001 0.000 0.243 129 I C 2.785 178.762 176.117 -0.235 0.000 1.080 129 I CA 2.065 63.139 61.300 -0.375 0.000 1.339 129 I CB -0.349 37.381 38.000 -0.450 0.000 1.039 129 I HN 0.453 nan 8.210 nan 0.000 0.409 130 Q N 0.956 120.555 119.800 -0.335 0.000 2.061 130 Q HA -0.205 4.135 4.340 -0.001 0.000 0.204 130 Q C 2.189 178.094 176.000 -0.158 0.000 0.984 130 Q CA 2.310 57.978 55.803 -0.225 0.000 0.846 130 Q CB -0.273 28.304 28.738 -0.269 0.000 0.902 130 Q HN 0.523 nan 8.270 nan 0.000 0.421 131 A N -0.528 122.131 122.820 -0.269 0.000 1.902 131 A HA -0.115 4.204 4.320 -0.001 0.000 0.217 131 A C 1.703 179.338 177.584 0.085 0.000 1.181 131 A CA 1.429 53.376 52.037 -0.150 0.000 0.623 131 A CB -0.747 18.101 19.000 -0.254 0.000 0.818 131 A HN 0.481 nan 8.150 nan 0.000 0.443 132 F N -0.493 119.489 119.950 0.055 0.000 2.234 132 F HA 0.089 4.616 4.527 -0.001 0.000 0.296 132 F C 2.263 178.099 175.800 0.060 0.000 1.089 132 F CA 0.729 58.778 58.000 0.082 0.000 1.343 132 F CB -0.982 38.093 39.000 0.125 0.000 1.040 132 F HN 0.197 nan 8.300 nan 0.000 0.498 133 R N 0.796 121.508 120.500 0.352 0.000 2.159 133 R HA -0.148 4.192 4.340 -0.001 0.000 0.237 133 R C 2.292 178.661 176.300 0.115 0.000 1.131 133 R CA 0.699 56.963 56.100 0.273 0.000 0.982 133 R CB -0.501 29.962 30.300 0.271 0.000 0.868 133 R HN 0.308 nan 8.270 nan 0.000 0.453 134 L N 0.713 121.989 121.223 0.088 0.000 2.081 134 L HA -0.244 4.096 4.340 -0.001 0.000 0.212 134 L C 1.383 178.276 176.870 0.039 0.000 1.080 134 L CA 1.599 56.467 54.840 0.045 0.000 0.754 134 L CB -0.197 41.886 42.059 0.040 0.000 0.893 134 L HN 0.395 nan 8.230 nan 0.000 0.433 135 Q N -0.352 119.477 119.800 0.048 0.000 2.444 135 Q HA 0.078 4.418 4.340 -0.001 0.000 0.206 135 Q C 1.222 177.213 176.000 -0.015 0.000 0.948 135 Q CA 0.788 56.603 55.803 0.019 0.000 0.946 135 Q CB -0.009 28.744 28.738 0.025 0.000 1.027 135 Q HN 0.600 nan 8.270 nan 0.000 0.513 136 G N 3.030 111.819 108.800 -0.018 0.000 2.295 136 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.287 136 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.287 136 G C -2.262 172.574 174.900 -0.106 0.000 1.055 136 G CA 0.048 45.126 45.100 -0.037 0.000 0.922 136 G HN 0.261 nan 8.290 nan 0.000 0.503 137 P HA 0.302 nan 4.420 nan 0.000 0.277 137 P C -0.078 177.016 177.300 -0.344 0.000 1.271 137 P CA -0.587 62.310 63.100 -0.338 0.000 0.795 137 P CB 0.843 32.204 31.700 -0.566 0.000 1.101 138 R N 0.721 121.049 120.500 -0.287 0.000 2.207 138 R HA 0.366 4.706 4.340 -0.001 0.000 0.334 138 R C -0.627 175.531 176.300 -0.236 0.000 1.013 138 R CA -0.539 55.457 56.100 -0.174 0.000 0.858 138 R CB -0.286 29.957 30.300 -0.095 0.000 1.094 138 R HN 0.302 nan 8.270 nan 0.000 0.457 139 F N 5.701 125.640 119.950 -0.018 0.000 2.445 139 F HA 0.227 4.754 4.527 -0.000 0.000 0.359 139 F C 0.066 175.861 175.800 -0.009 0.000 1.101 139 F CA -0.344 57.648 58.000 -0.013 0.000 1.177 139 F CB 0.738 39.749 39.000 0.018 0.000 1.110 139 F HN 0.221 nan 8.300 nan 0.000 0.522 140 L N 3.868 125.178 121.223 0.144 0.000 2.307 140 L HA 0.615 4.955 4.340 -0.001 0.000 0.284 140 L C 0.134 177.070 176.870 0.110 0.000 1.023 140 L CA -0.650 54.244 54.840 0.090 0.000 0.810 140 L CB 1.715 43.787 42.059 0.022 0.000 1.231 140 L HN 0.628 nan 8.230 nan 0.000 0.423 141 T N -0.193 114.419 114.554 0.096 0.000 2.930 141 T HA 0.812 5.161 4.350 -0.001 0.000 0.290 141 T C -0.692 174.045 174.700 0.063 0.000 1.052 141 T CA -0.853 61.300 62.100 0.087 0.000 1.017 141 T CB 2.382 71.308 68.868 0.096 0.000 1.137 141 T HN 0.255 nan 8.240 nan 0.000 0.511 142 V N 2.220 122.165 119.914 0.052 0.000 2.851 142 V HA 0.543 4.662 4.120 -0.001 0.000 0.307 142 V C -2.614 173.500 176.094 0.033 0.000 1.129 142 V CA -2.170 60.152 62.300 0.037 0.000 0.932 142 V CB 2.660 34.497 31.823 0.022 0.000 1.024 142 V HN 0.864 nan 8.190 nan 0.000 0.426 143 P HA 0.391 nan 4.420 nan 0.000 0.272 143 P C -1.220 176.081 177.300 0.000 0.000 1.223 143 P CA -0.082 63.044 63.100 0.043 0.000 0.784 143 P CB 0.682 32.419 31.700 0.062 0.000 0.923 144 A N 1.813 124.615 122.820 -0.030 0.000 2.330 144 A HA 0.748 5.067 4.320 -0.001 0.000 0.313 144 A C 0.109 177.653 177.584 -0.066 0.000 1.124 144 A CA -0.270 51.719 52.037 -0.079 0.000 0.774 144 A CB 1.089 19.991 19.000 -0.163 0.000 1.198 144 A HN 0.585 nan 8.150 nan 0.000 0.465 145 G N 0.139 108.912 108.800 -0.046 0.000 3.251 145 G HA2 0.470 4.429 3.960 -0.001 0.000 0.248 145 G HA3 0.470 4.429 3.960 -0.001 0.000 0.248 145 G C 0.391 175.277 174.900 -0.023 0.000 1.320 145 G CA -0.027 45.065 45.100 -0.014 0.000 0.982 145 G HN 0.639 nan 8.290 nan 0.000 0.575 146 E N -0.553 119.654 120.200 0.011 0.000 2.153 146 E HA -0.070 4.279 4.350 -0.001 0.000 0.194 146 E C 1.290 177.895 176.600 0.008 0.000 0.988 146 E CA 1.301 57.715 56.400 0.023 0.000 0.811 146 E CB 0.132 29.857 29.700 0.041 0.000 0.746 146 E HN 0.529 nan 8.360 nan 0.000 0.466 147 E N -0.691 119.505 120.200 -0.007 0.000 2.736 147 E HA 0.297 4.647 4.350 -0.001 0.000 0.208 147 E C -0.003 176.573 176.600 -0.041 0.000 0.996 147 E CA 0.045 56.434 56.400 -0.019 0.000 1.104 147 E CB 1.005 30.699 29.700 -0.010 0.000 1.111 147 E HN 0.308 nan 8.360 nan 0.000 0.455 148 G N 2.625 111.393 108.800 -0.054 0.000 2.582 148 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.222 148 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.222 148 G C -2.833 172.032 174.900 -0.058 0.000 1.311 148 G CA -1.118 43.939 45.100 -0.071 0.000 0.915 148 G HN 0.020 nan 8.290 nan 0.000 0.528 149 P HA 0.287 nan 4.420 nan 0.000 0.271 149 P C -0.785 176.500 177.300 -0.026 0.000 1.218 149 P CA 0.020 63.096 63.100 -0.040 0.000 0.780 149 P CB 0.821 32.498 31.700 -0.038 0.000 0.901 150 D N 2.407 122.799 120.400 -0.013 0.000 2.342 150 D HA 0.034 4.673 4.640 -0.001 0.000 0.260 150 D C 1.120 177.415 176.300 -0.008 0.000 1.278 150 D CA 0.060 54.056 54.000 -0.006 0.000 0.910 150 D CB 0.025 40.828 40.800 0.006 0.000 1.079 150 D HN 0.225 nan 8.370 nan 0.000 0.496 151 L N 2.850 124.066 121.223 -0.013 0.000 2.313 151 L HA -0.044 4.295 4.340 -0.001 0.000 0.214 151 L C 1.637 178.500 176.870 -0.012 0.000 1.119 151 L CA 0.464 55.295 54.840 -0.015 0.000 0.809 151 L CB -0.069 41.977 42.059 -0.022 0.000 0.933 151 L HN 0.384 nan 8.230 nan 0.000 0.449 152 D N 0.781 121.176 120.400 -0.008 0.000 2.144 152 D HA -0.129 4.510 4.640 -0.001 0.000 0.200 152 D C 2.224 178.523 176.300 -0.001 0.000 0.978 152 D CA 1.448 55.445 54.000 -0.005 0.000 0.833 152 D CB 0.251 41.050 40.800 -0.003 0.000 0.961 152 D HN 0.308 nan 8.370 nan 0.000 0.470 153 A N 1.311 124.132 122.820 0.003 0.000 1.902 153 A HA -0.145 4.174 4.320 -0.001 0.000 0.217 153 A C 2.183 179.770 177.584 0.005 0.000 1.181 153 A CA 0.819 52.860 52.037 0.008 0.000 0.623 153 A CB -0.690 18.319 19.000 0.015 0.000 0.818 153 A HN 0.183 nan 8.150 nan 0.000 0.443 154 L N 0.286 121.509 121.223 0.001 0.000 2.012 154 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 154 L C 2.275 179.141 176.870 -0.007 0.000 1.073 154 L CA 2.749 57.587 54.840 -0.003 0.000 0.748 154 L CB -0.789 41.265 42.059 -0.008 0.000 0.891 154 L HN 0.631 nan 8.230 nan 0.000 0.431 155 E N -0.902 119.293 120.200 -0.009 0.000 2.070 155 E HA -0.268 4.082 4.350 -0.001 0.000 0.197 155 E C 1.971 178.566 176.600 -0.008 0.000 1.004 155 E CA 1.609 58.002 56.400 -0.011 0.000 0.805 155 E CB -0.020 29.672 29.700 -0.012 0.000 0.744 155 E HN 0.513 nan 8.360 nan 0.000 0.451 156 E N 0.077 120.274 120.200 -0.004 0.000 2.077 156 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 156 E C 2.324 178.923 176.600 -0.001 0.000 0.989 156 E CA 1.035 57.434 56.400 -0.001 0.000 0.800 156 E CB -0.346 29.356 29.700 0.003 0.000 0.746 156 E HN 0.227 nan 8.360 nan 0.000 0.452 157 V N 1.309 121.223 119.914 0.001 0.000 2.332 157 V HA -0.241 3.878 4.120 -0.001 0.000 0.248 157 V C 2.319 178.409 176.094 -0.007 0.000 1.055 157 V CA 1.313 63.613 62.300 -0.000 0.000 1.038 157 V CB -0.432 31.393 31.823 0.002 0.000 0.651 157 V HN 0.164 nan 8.190 nan 0.000 0.450 158 L N -0.517 120.701 121.223 -0.009 0.000 2.376 158 L HA -0.015 4.325 4.340 -0.001 0.000 0.219 158 L C 2.181 179.044 176.870 -0.012 0.000 1.133 158 L CA 1.488 56.321 54.840 -0.013 0.000 0.816 158 L CB -0.975 41.075 42.059 -0.015 0.000 0.933 158 L HN 0.302 nan 8.230 nan 0.000 0.449 159 K N -0.973 119.421 120.400 -0.010 0.000 2.288 159 K HA -0.031 4.289 4.320 -0.001 0.000 0.201 159 K C 1.868 178.463 176.600 -0.007 0.000 1.048 159 K CA 0.820 57.102 56.287 -0.009 0.000 0.956 159 K CB 0.139 32.635 32.500 -0.007 0.000 0.746 159 K HN 0.270 nan 8.250 nan 0.000 0.461 160 R N -0.549 119.947 120.500 -0.007 0.000 2.257 160 R HA 0.130 4.470 4.340 -0.001 0.000 0.195 160 R C 0.081 176.375 176.300 -0.010 0.000 0.921 160 R CA 0.124 56.221 56.100 -0.007 0.000 1.069 160 R CB 0.644 30.942 30.300 -0.004 0.000 1.115 160 R HN -0.085 nan 8.270 nan 0.000 0.571 161 E N 0.822 121.014 120.200 -0.013 0.000 2.266 161 E HA 0.269 4.619 4.350 -0.001 0.000 0.268 161 E C -1.324 175.262 176.600 -0.023 0.000 0.879 161 E CA -0.699 55.690 56.400 -0.020 0.000 0.762 161 E CB 1.619 31.305 29.700 -0.023 0.000 1.199 161 E HN -0.110 nan 8.360 nan 0.000 0.422 162 R N 4.740 125.224 120.500 -0.027 0.000 2.287 162 R HA 0.412 4.751 4.340 -0.001 0.000 0.316 162 R C -2.318 173.954 176.300 -0.047 0.000 1.050 162 R CA -1.896 54.188 56.100 -0.027 0.000 0.983 162 R CB 0.563 30.855 30.300 -0.015 0.000 1.140 162 R HN 0.327 nan 8.270 nan 0.000 0.528 163 P HA 0.137 nan 4.420 nan 0.000 0.271 163 P C 0.088 177.316 177.300 -0.121 0.000 1.218 163 P CA -0.510 62.516 63.100 -0.123 0.000 0.780 163 P CB 0.850 32.469 31.700 -0.135 0.000 0.901 164 R N 1.604 121.993 120.500 -0.184 0.000 2.120 164 R HA 0.016 4.356 4.340 -0.001 0.000 0.234 164 R C 0.801 177.084 176.300 -0.028 0.000 1.123 164 R CA 1.298 57.351 56.100 -0.079 0.000 0.975 164 R CB -0.933 29.333 30.300 -0.056 0.000 0.866 164 R HN 0.694 nan 8.270 nan 0.000 0.446 165 F N -3.519 116.313 119.950 -0.196 0.000 2.741 165 F HA 0.475 5.002 4.527 -0.001 0.000 0.311 165 F C -1.468 174.265 175.800 -0.112 0.000 1.149 165 F CA -1.819 56.049 58.000 -0.219 0.000 0.930 165 F CB 0.590 39.351 39.000 -0.398 0.000 1.312 165 F HN -0.364 nan 8.300 nan 0.000 0.450 166 L N 2.796 124.121 121.223 0.169 0.000 2.275 166 L HA 0.387 4.727 4.340 -0.001 0.000 0.288 166 L C -0.907 176.164 176.870 0.335 0.000 1.046 166 L CA -0.598 54.332 54.840 0.151 0.000 0.805 166 L CB 0.846 42.952 42.059 0.078 0.000 1.193 166 L HN 0.678 nan 8.230 nan 0.000 0.426 167 Y N 4.848 125.297 120.300 0.250 0.000 2.353 167 Y HA 0.722 5.272 4.550 -0.001 0.000 0.340 167 Y C -1.087 174.924 175.900 0.185 0.000 0.972 167 Y CA -0.516 57.777 58.100 0.322 0.000 1.157 167 Y CB 0.676 39.474 38.460 0.564 0.000 1.157 167 Y HN 0.476 nan 8.280 nan 0.000 0.495 168 L N 7.325 128.250 121.223 -0.497 0.000 2.409 168 L HA 0.555 4.894 4.340 -0.001 0.000 0.262 168 L C -1.011 175.574 176.870 -0.474 0.000 0.992 168 L CA -0.955 53.656 54.840 -0.381 0.000 0.817 168 L CB 2.671 44.634 42.059 -0.159 0.000 1.350 168 L HN 0.550 nan 8.230 nan 0.000 0.411 169 I N 2.417 122.795 120.570 -0.320 0.000 2.782 169 I HA 0.230 4.400 4.170 -0.001 0.000 0.279 169 I C -1.894 174.115 176.117 -0.179 0.000 1.247 169 I CA -1.177 59.987 61.300 -0.228 0.000 1.062 169 I CB 1.296 39.205 38.000 -0.153 0.000 1.421 169 I HN 0.368 nan 8.210 nan 0.000 0.558 170 P HA -0.057 nan 4.420 nan 0.000 0.218 170 P C 0.220 177.345 177.300 -0.292 0.000 1.149 170 P CA 1.131 64.121 63.100 -0.184 0.000 0.817 170 P CB 0.254 31.871 31.700 -0.139 0.000 0.785 171 S N 0.413 115.908 115.700 -0.342 0.000 2.488 171 S HA 0.386 4.855 4.470 -0.001 0.000 0.310 171 S C -0.721 173.514 174.600 -0.608 0.000 1.093 171 S CA -0.514 57.254 58.200 -0.720 0.000 1.129 171 S CB -0.908 61.958 63.200 -0.558 0.000 0.989 171 S HN 0.055 nan 8.310 nan 0.000 0.479 172 F N 0.321 120.222 119.950 -0.081 0.000 2.781 172 F HA -0.173 4.353 4.527 -0.001 0.000 0.350 172 F C 0.634 176.311 175.800 -0.205 0.000 1.048 172 F CA -0.182 57.721 58.000 -0.162 0.000 1.134 172 F CB -2.016 36.845 39.000 -0.232 0.000 1.440 172 F HN 0.567 nan 8.300 nan 0.000 0.799 173 Q N 1.641 121.393 119.800 -0.080 0.000 2.310 173 Q HA -0.061 4.279 4.340 -0.001 0.000 0.315 173 Q C 0.435 176.350 176.000 -0.142 0.000 1.081 173 Q CA 0.284 56.018 55.803 -0.115 0.000 0.981 173 Q CB 0.526 29.165 28.738 -0.165 0.000 1.184 173 Q HN 0.457 nan 8.270 nan 0.000 0.389 174 N N 5.040 123.677 118.700 -0.105 0.000 2.422 174 N HA 0.175 4.915 4.740 -0.001 0.000 0.264 174 N C -2.110 173.231 175.510 -0.282 0.000 1.063 174 N CA -1.871 51.055 53.050 -0.206 0.000 0.959 174 N CB 1.149 39.623 38.487 -0.020 0.000 1.087 174 N HN 0.381 nan 8.380 nan 0.000 0.483 175 P HA 0.106 nan 4.420 nan 0.000 0.275 175 P C 0.799 177.695 177.300 -0.674 0.000 1.310 175 P CA 0.313 62.834 63.100 -0.964 0.000 0.904 175 P CB 0.280 31.022 31.700 -1.598 0.000 1.381 176 T N -4.217 109.915 114.554 -0.703 0.000 2.985 176 T HA 0.181 4.531 4.350 -0.001 0.000 0.266 176 T C 1.683 176.328 174.700 -0.092 0.000 1.076 176 T CA 1.287 63.059 62.100 -0.546 0.000 1.135 176 T CB -1.226 67.273 68.868 -0.614 0.000 0.890 176 T HN 0.178 nan 8.240 nan 0.000 0.480 177 G N 0.985 109.754 108.800 -0.052 0.000 2.157 177 G HA2 -0.061 3.898 3.960 -0.001 0.000 0.248 177 G HA3 -0.061 3.898 3.960 -0.001 0.000 0.248 177 G C 0.433 175.385 174.900 0.087 0.000 0.979 177 G CA -0.030 45.111 45.100 0.069 0.000 0.650 177 G HN 1.045 nan 8.290 nan 0.000 0.529 178 G N -0.443 108.347 108.800 -0.017 0.000 2.414 178 G HA2 0.450 4.410 3.960 -0.001 0.000 0.236 178 G HA3 0.450 4.410 3.960 -0.001 0.000 0.236 178 G C 0.016 174.888 174.900 -0.048 0.000 1.293 178 G CA -0.014 45.069 45.100 -0.028 0.000 0.869 178 G HN 0.899 nan 8.290 nan 0.000 0.556 179 L N 2.584 123.782 121.223 -0.041 0.000 2.319 179 L HA 0.344 4.683 4.340 -0.001 0.000 0.281 179 L C 0.029 176.826 176.870 -0.122 0.000 1.005 179 L CA -0.562 54.190 54.840 -0.148 0.000 0.828 179 L CB 1.556 43.580 42.059 -0.059 0.000 1.227 179 L HN 0.469 nan 8.230 nan 0.000 0.415 180 T N 6.602 121.061 114.554 -0.159 0.000 2.769 180 T HA 0.244 4.593 4.350 -0.001 0.000 0.293 180 T C -2.291 172.347 174.700 -0.103 0.000 0.931 180 T CA -0.770 61.263 62.100 -0.112 0.000 1.139 180 T CB 0.591 69.393 68.868 -0.110 0.000 0.881 180 T HN 0.459 nan 8.240 nan 0.000 0.532 181 P HA 0.178 nan 4.420 nan 0.000 0.276 181 P C 1.020 178.288 177.300 -0.054 0.000 1.252 181 P CA -0.739 62.328 63.100 -0.054 0.000 0.802 181 P CB 0.825 32.506 31.700 -0.032 0.000 1.035 182 L N 3.003 124.196 121.223 -0.049 0.000 1.990 182 L HA -0.108 4.232 4.340 -0.001 0.000 0.213 182 L C -0.922 175.923 176.870 -0.042 0.000 1.072 182 L CA 2.827 57.639 54.840 -0.048 0.000 0.755 182 L CB -2.569 39.465 42.059 -0.042 0.000 0.889 182 L HN 0.339 nan 8.230 nan 0.000 0.432 183 P HA -0.081 nan 4.420 nan 0.000 0.220 183 P C 1.411 178.690 177.300 -0.036 0.000 1.148 183 P CA 1.763 64.843 63.100 -0.033 0.000 0.803 183 P CB -0.208 31.477 31.700 -0.026 0.000 0.782 184 A N 0.070 122.867 122.820 -0.038 0.000 1.929 184 A HA -0.134 4.186 4.320 -0.001 0.000 0.216 184 A C 2.296 179.852 177.584 -0.046 0.000 1.176 184 A CA 1.027 53.040 52.037 -0.040 0.000 0.628 184 A CB -0.968 18.008 19.000 -0.040 0.000 0.816 184 A HN 0.021 nan 8.150 nan 0.000 0.444 185 R N 0.014 120.484 120.500 -0.051 0.000 2.091 185 R HA -0.150 4.190 4.340 -0.001 0.000 0.238 185 R C 2.158 178.428 176.300 -0.049 0.000 1.136 185 R CA 1.846 57.915 56.100 -0.051 0.000 0.959 185 R CB -0.269 29.998 30.300 -0.054 0.000 0.856 185 R HN 0.511 nan 8.270 nan 0.000 0.437 186 K N 0.010 120.381 120.400 -0.049 0.000 2.025 186 K HA -0.175 4.144 4.320 -0.001 0.000 0.207 186 K C 2.210 178.776 176.600 -0.056 0.000 1.049 186 K CA 1.392 57.648 56.287 -0.052 0.000 0.933 186 K CB -0.147 32.326 32.500 -0.046 0.000 0.714 186 K HN 0.083 nan 8.250 nan 0.000 0.438 187 R N 1.175 121.645 120.500 -0.050 0.000 2.073 187 R HA -0.153 4.186 4.340 -0.001 0.000 0.234 187 R C 2.272 178.538 176.300 -0.057 0.000 1.134 187 R CA 1.095 57.165 56.100 -0.050 0.000 0.952 187 R CB -0.461 29.815 30.300 -0.041 0.000 0.850 187 R HN 0.060 nan 8.270 nan 0.000 0.433 188 L N 1.160 122.352 121.223 -0.052 0.000 1.997 188 L HA -0.199 4.141 4.340 -0.001 0.000 0.216 188 L C 2.136 178.965 176.870 -0.068 0.000 1.074 188 L CA 1.773 56.582 54.840 -0.052 0.000 0.763 188 L CB -1.039 40.993 42.059 -0.044 0.000 0.890 188 L HN 0.429 nan 8.230 nan 0.000 0.434 189 L N -0.781 120.397 121.223 -0.075 0.000 2.042 189 L HA -0.233 4.107 4.340 -0.001 0.000 0.210 189 L C 2.522 179.289 176.870 -0.173 0.000 1.076 189 L CA 1.778 56.551 54.840 -0.112 0.000 0.749 189 L CB -0.869 41.133 42.059 -0.094 0.000 0.893 189 L HN 0.408 nan 8.230 nan 0.000 0.432 190 Q N -0.773 118.947 119.800 -0.133 0.000 2.050 190 Q HA -0.214 4.125 4.340 -0.001 0.000 0.202 190 Q C 2.256 178.172 176.000 -0.139 0.000 0.980 190 Q CA 2.385 58.105 55.803 -0.139 0.000 0.840 190 Q CB -0.299 28.382 28.738 -0.095 0.000 0.898 190 Q HN 0.605 nan 8.270 nan 0.000 0.424 191 M N -0.622 118.916 119.600 -0.104 0.000 2.106 191 M HA -0.189 4.291 4.480 -0.001 0.000 0.259 191 M C 2.288 178.528 176.300 -0.100 0.000 1.068 191 M CA 1.200 56.450 55.300 -0.084 0.000 1.100 191 M CB -0.371 32.194 32.600 -0.059 0.000 1.351 191 M HN -0.016 nan 8.290 nan 0.000 0.404 192 V N 0.276 120.114 119.914 -0.127 0.000 2.379 192 V HA -0.214 3.906 4.120 -0.001 0.000 0.245 192 V C 2.337 178.269 176.094 -0.269 0.000 1.044 192 V CA 1.537 63.758 62.300 -0.131 0.000 1.036 192 V CB -0.337 31.439 31.823 -0.078 0.000 0.664 192 V HN 0.481 nan 8.190 nan 0.000 0.453 193 M N -0.862 118.445 119.600 -0.489 0.000 2.117 193 M HA -0.202 4.278 4.480 -0.001 0.000 0.262 193 M C 2.213 178.343 176.300 -0.283 0.000 1.065 193 M CA 1.783 56.669 55.300 -0.690 0.000 1.114 193 M CB -0.640 31.568 32.600 -0.653 0.000 1.361 193 M HN 0.342 nan 8.290 nan 0.000 0.408 194 E N 0.640 120.730 120.200 -0.183 0.000 2.130 194 E HA -0.199 4.151 4.350 -0.001 0.000 0.196 194 E C 1.731 178.295 176.600 -0.060 0.000 0.998 194 E CA 1.222 57.563 56.400 -0.098 0.000 0.806 194 E CB 0.141 29.794 29.700 -0.078 0.000 0.738 194 E HN 0.473 nan 8.360 nan 0.000 0.459 195 R N -1.369 119.098 120.500 -0.056 0.000 2.362 195 R HA 0.120 4.459 4.340 -0.001 0.000 0.227 195 R C 0.843 177.156 176.300 0.021 0.000 0.905 195 R CA 0.476 56.566 56.100 -0.016 0.000 1.067 195 R CB 0.908 31.198 30.300 -0.017 0.000 1.078 195 R HN 0.164 nan 8.270 nan 0.000 0.516 196 G N 2.265 111.094 108.800 0.047 0.000 2.295 196 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.287 196 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.287 196 G C -0.066 174.938 174.900 0.173 0.000 1.055 196 G CA 0.128 45.328 45.100 0.167 0.000 0.922 196 G HN 0.146 nan 8.290 nan 0.000 0.503 197 L N -0.953 120.371 121.223 0.168 0.000 2.375 197 L HA 0.643 4.983 4.340 -0.001 0.000 0.268 197 L C 0.827 177.789 176.870 0.154 0.000 1.058 197 L CA -1.293 53.616 54.840 0.116 0.000 0.803 197 L CB 1.646 43.738 42.059 0.055 0.000 1.212 197 L HN -0.030 nan 8.230 nan 0.000 0.451 198 V N 2.235 122.188 119.914 0.066 0.000 2.439 198 V HA 0.326 4.446 4.120 -0.001 0.000 0.282 198 V C -0.003 176.114 176.094 0.038 0.000 1.039 198 V CA -0.536 61.766 62.300 0.003 0.000 0.913 198 V CB 1.751 33.483 31.823 -0.152 0.000 0.983 198 V HN 0.368 nan 8.190 nan 0.000 0.460 199 V N 5.419 125.357 119.914 0.040 0.000 2.513 199 V HA 0.445 4.565 4.120 -0.001 0.000 0.299 199 V C -0.224 175.874 176.094 0.007 0.000 1.035 199 V CA -0.596 61.743 62.300 0.065 0.000 0.889 199 V CB 2.155 34.031 31.823 0.088 0.000 0.988 199 V HN 0.602 nan 8.190 nan 0.000 0.440 200 V N 4.276 124.211 119.914 0.034 0.000 2.328 200 V HA 0.374 4.494 4.120 -0.001 0.000 0.278 200 V C 0.083 176.187 176.094 0.016 0.000 1.021 200 V CA -0.449 61.851 62.300 -0.000 0.000 0.838 200 V CB 1.321 33.095 31.823 -0.082 0.000 0.999 200 V HN 0.942 nan 8.190 nan 0.000 0.447 201 E N 3.799 123.990 120.200 -0.014 0.000 2.073 201 E HA 0.225 4.575 4.350 -0.001 0.000 0.269 201 E C -1.060 175.422 176.600 -0.197 0.000 0.917 201 E CA -0.582 55.773 56.400 -0.075 0.000 0.757 201 E CB 0.900 30.645 29.700 0.074 0.000 1.111 201 E HN 0.663 nan 8.360 nan 0.000 0.410 202 D N 3.959 124.211 120.400 -0.245 0.000 2.359 202 D HA 0.092 4.731 4.640 -0.001 0.000 0.230 202 D C -0.752 175.386 176.300 -0.269 0.000 1.118 202 D CA -0.296 53.561 54.000 -0.237 0.000 0.844 202 D CB 1.196 41.952 40.800 -0.073 0.000 1.059 202 D HN 0.351 nan 8.370 nan 0.000 0.493 203 D N 2.563 122.715 120.400 -0.413 0.000 2.755 203 D HA 0.272 4.912 4.640 -0.001 0.000 0.257 203 D C 1.320 177.450 176.300 -0.284 0.000 1.291 203 D CA -0.250 53.568 54.000 -0.303 0.000 0.836 203 D CB 0.334 40.917 40.800 -0.361 0.000 1.059 203 D HN 0.416 nan 8.370 nan 0.000 0.486 204 A N -0.414 122.206 122.820 -0.334 0.000 1.986 204 A HA -0.213 4.107 4.320 -0.001 0.000 0.220 204 A C 1.171 178.435 177.584 -0.534 0.000 1.171 204 A CA 1.258 52.996 52.037 -0.497 0.000 0.640 204 A CB -0.578 18.010 19.000 -0.686 0.000 0.811 204 A HN 0.429 nan 8.150 nan 0.000 0.451 205 Y N -1.020 119.268 120.300 -0.020 0.000 2.468 205 Y HA 0.173 4.723 4.550 -0.000 0.000 0.268 205 Y C 1.875 177.891 175.900 0.193 0.000 1.177 205 Y CA 0.092 58.233 58.100 0.069 0.000 1.265 205 Y CB -0.279 38.255 38.460 0.122 0.000 1.103 205 Y HN 0.413 nan 8.280 nan 0.000 0.522 206 R N 1.283 121.918 120.500 0.224 0.000 2.224 206 R HA -0.268 4.072 4.340 -0.001 0.000 0.255 206 R C 1.066 177.626 176.300 0.433 0.000 1.130 206 R CA 2.485 58.744 56.100 0.265 0.000 0.957 206 R CB -0.127 30.291 30.300 0.196 0.000 0.907 206 R HN 0.202 nan 8.270 nan 0.000 0.446 207 E N -0.085 120.349 120.200 0.390 0.000 2.479 207 E HA 0.014 4.363 4.350 -0.001 0.000 0.193 207 E C 0.174 176.855 176.600 0.134 0.000 1.049 207 E CA 0.172 56.791 56.400 0.365 0.000 0.870 207 E CB 0.475 30.352 29.700 0.296 0.000 0.944 207 E HN 0.295 nan 8.360 nan 0.000 0.492 208 L N 1.797 123.122 121.223 0.171 0.000 3.036 208 L HA 0.122 4.462 4.340 -0.001 0.000 0.237 208 L C -0.254 176.405 176.870 -0.352 0.000 1.319 208 L CA -0.404 54.400 54.840 -0.060 0.000 1.112 208 L CB -0.773 41.236 42.059 -0.083 0.000 1.480 208 L HN 0.013 nan 8.230 nan 0.000 0.506 209 Y N -3.771 116.467 120.300 -0.105 0.000 2.301 209 Y HA 0.453 5.002 4.550 -0.001 0.000 0.325 209 Y C 0.520 176.377 175.900 -0.072 0.000 1.203 209 Y CA -0.928 57.036 58.100 -0.225 0.000 1.255 209 Y CB 0.338 38.938 38.460 0.235 0.000 1.232 209 Y HN 0.008 nan 8.280 nan 0.000 0.501 210 F N 1.217 121.173 119.950 0.010 0.000 2.721 210 F HA 0.370 4.897 4.527 -0.000 0.000 0.301 210 F C 1.416 177.283 175.800 0.111 0.000 1.096 210 F CA -0.640 57.355 58.000 -0.009 0.000 1.308 210 F CB -0.448 38.510 39.000 -0.071 0.000 1.086 210 F HN 0.798 nan 8.300 nan 0.000 0.587 211 G N 0.545 109.579 108.800 0.390 0.000 2.516 211 G HA2 0.162 4.122 3.960 -0.001 0.000 0.276 211 G HA3 0.162 4.122 3.960 -0.001 0.000 0.276 211 G C 0.916 176.018 174.900 0.338 0.000 1.390 211 G CA -0.167 45.115 45.100 0.304 0.000 1.050 211 G HN 0.338 nan 8.290 nan 0.000 0.519 212 E N -0.835 119.495 120.200 0.217 0.000 2.371 212 E HA 0.339 4.689 4.350 -0.001 0.000 0.194 212 E C 0.771 177.483 176.600 0.187 0.000 1.012 212 E CA 0.711 57.225 56.400 0.190 0.000 0.860 212 E CB 0.193 29.960 29.700 0.111 0.000 0.811 212 E HN 0.477 nan 8.360 nan 0.000 0.502 213 A N 1.620 124.475 122.820 0.058 0.000 2.604 213 A HA 0.488 4.808 4.320 -0.001 0.000 0.295 213 A C -0.867 176.335 177.584 -0.637 0.000 1.067 213 A CA -1.140 50.766 52.037 -0.220 0.000 0.683 213 A CB 1.173 20.112 19.000 -0.101 0.000 1.281 213 A HN 0.221 nan 8.150 nan 0.000 0.407 214 R N 1.087 120.971 120.500 -1.027 0.000 2.560 214 R HA 0.720 5.060 4.340 -0.001 0.000 0.270 214 R C -0.881 175.247 176.300 -0.288 0.000 1.074 214 R CA -0.575 55.102 56.100 -0.705 0.000 1.140 214 R CB 0.353 30.314 30.300 -0.565 0.000 1.073 214 R HN 0.517 nan 8.270 nan 0.000 0.527 215 L N 1.395 122.506 121.223 -0.187 0.000 2.399 215 L HA 0.373 4.712 4.340 -0.001 0.000 0.266 215 L C -1.879 174.932 176.870 -0.098 0.000 1.114 215 L CA -2.487 52.279 54.840 -0.124 0.000 0.804 215 L CB 0.952 42.941 42.059 -0.117 0.000 1.146 215 L HN 0.483 nan 8.230 nan 0.000 0.451 216 P HA -0.008 nan 4.420 nan 0.000 0.264 216 P C -0.532 176.742 177.300 -0.044 0.000 1.183 216 P CA -0.136 62.931 63.100 -0.055 0.000 0.763 216 P CB 0.479 32.150 31.700 -0.050 0.000 0.807 217 S N 2.850 118.537 115.700 -0.022 0.000 2.600 217 S HA 0.097 4.567 4.470 -0.001 0.000 0.265 217 S C 1.202 175.822 174.600 0.034 0.000 1.325 217 S CA -0.513 57.704 58.200 0.028 0.000 1.002 217 S CB 0.199 63.451 63.200 0.086 0.000 0.921 217 S HN 0.152 nan 8.310 nan 0.000 0.554 218 L N 0.411 121.674 121.223 0.066 0.000 2.083 218 L HA 0.044 4.384 4.340 -0.001 0.000 0.209 218 L C 2.055 178.971 176.870 0.077 0.000 1.083 218 L CA 1.357 56.231 54.840 0.056 0.000 0.752 218 L CB -1.797 40.302 42.059 0.066 0.000 0.899 218 L HN 0.880 nan 8.230 nan 0.000 0.433 219 F N 0.785 120.734 119.950 -0.002 0.000 2.095 219 F HA -0.243 4.284 4.527 -0.001 0.000 0.298 219 F C 2.402 178.139 175.800 -0.105 0.000 1.104 219 F CA 1.771 59.736 58.000 -0.058 0.000 1.232 219 F CB 0.007 38.902 39.000 -0.175 0.000 0.987 219 F HN 0.185 nan 8.300 nan 0.000 0.475 220 E N -0.194 119.999 120.200 -0.013 0.000 2.072 220 E HA -0.192 4.157 4.350 -0.001 0.000 0.191 220 E C 2.133 178.660 176.600 -0.121 0.000 0.985 220 E CA 0.997 57.348 56.400 -0.081 0.000 0.801 220 E CB -0.217 29.461 29.700 -0.037 0.000 0.750 220 E HN 0.259 nan 8.360 nan 0.000 0.452 221 L N 0.625 121.797 121.223 -0.085 0.000 2.056 221 L HA -0.104 4.236 4.340 -0.001 0.000 0.207 221 L C 2.334 179.152 176.870 -0.087 0.000 1.078 221 L CA 1.739 56.535 54.840 -0.073 0.000 0.749 221 L CB -1.384 40.644 42.059 -0.052 0.000 0.901 221 L HN 0.081 nan 8.230 nan 0.000 0.433 222 A N -0.761 121.996 122.820 -0.104 0.000 1.902 222 A HA -0.226 4.094 4.320 -0.001 0.000 0.217 222 A C 2.528 180.028 177.584 -0.140 0.000 1.181 222 A CA 1.535 53.531 52.037 -0.067 0.000 0.623 222 A CB -0.524 18.450 19.000 -0.042 0.000 0.818 222 A HN 0.320 nan 8.150 nan 0.000 0.443 223 R N -0.039 120.275 120.500 -0.309 0.000 2.096 223 R HA -0.171 4.169 4.340 -0.001 0.000 0.235 223 R C 2.163 178.376 176.300 -0.146 0.000 1.127 223 R CA 1.812 57.732 56.100 -0.300 0.000 0.968 223 R CB -0.311 29.723 30.300 -0.443 0.000 0.861 223 R HN 0.776 nan 8.270 nan 0.000 0.440 224 E N -0.260 119.871 120.200 -0.115 0.000 2.150 224 E HA -0.135 4.215 4.350 -0.001 0.000 0.193 224 E C 1.487 178.057 176.600 -0.049 0.000 0.985 224 E CA 1.081 57.440 56.400 -0.069 0.000 0.814 224 E CB -0.034 29.631 29.700 -0.059 0.000 0.752 224 E HN 0.415 nan 8.360 nan 0.000 0.466 225 A N 0.275 123.069 122.820 -0.044 0.000 2.119 225 A HA 0.195 4.514 4.320 -0.001 0.000 0.216 225 A C 1.786 179.374 177.584 0.007 0.000 1.152 225 A CA 1.007 53.032 52.037 -0.020 0.000 0.708 225 A CB -0.392 18.595 19.000 -0.022 0.000 0.805 225 A HN 0.513 nan 8.150 nan 0.000 0.460 226 G N -2.508 106.291 108.800 -0.002 0.000 2.137 226 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.237 226 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.237 226 G C -0.109 174.827 174.900 0.060 0.000 1.002 226 G CA 0.269 45.374 45.100 0.007 0.000 0.702 226 G HN 0.778 nan 8.290 nan 0.000 0.515 227 Y N 1.615 121.864 120.300 -0.086 0.000 2.341 227 Y HA 0.563 5.112 4.550 -0.001 0.000 0.340 227 Y C -1.127 174.724 175.900 -0.082 0.000 0.997 227 Y CA -2.014 56.042 58.100 -0.074 0.000 1.149 227 Y CB 1.799 40.215 38.460 -0.074 0.000 1.171 227 Y HN 0.025 nan 8.280 nan 0.000 0.494 228 P HA 0.128 nan 4.420 nan 0.000 0.249 228 P C 0.981 178.008 177.300 -0.454 0.000 1.229 228 P CA 0.709 63.592 63.100 -0.362 0.000 0.788 228 P CB 0.401 31.977 31.700 -0.206 0.000 1.072 229 G N 0.046 108.324 108.800 -0.871 0.000 2.920 229 G HA2 0.116 4.076 3.960 -0.001 0.000 0.208 229 G HA3 0.116 4.076 3.960 -0.001 0.000 0.208 229 G C 0.252 175.101 174.900 -0.086 0.000 1.159 229 G CA 0.016 44.844 45.100 -0.454 0.000 0.784 229 G HN 0.156 nan 8.290 nan 0.000 0.535 230 V N 1.945 121.858 119.914 -0.002 0.000 2.406 230 V HA 0.347 4.466 4.120 -0.001 0.000 0.272 230 V C 0.032 176.279 176.094 0.256 0.000 1.043 230 V CA -0.623 61.764 62.300 0.146 0.000 0.915 230 V CB 1.394 33.338 31.823 0.202 0.000 0.988 230 V HN 0.118 nan 8.190 nan 0.000 0.466 231 I N 5.571 126.240 120.570 0.165 0.000 2.315 231 I HA 0.328 4.498 4.170 -0.001 0.000 0.291 231 I C -0.764 175.451 176.117 0.164 0.000 1.006 231 I CA -0.498 60.899 61.300 0.161 0.000 1.265 231 I CB 0.877 38.897 38.000 0.033 0.000 1.387 231 I HN 0.603 nan 8.210 nan 0.000 0.475 232 Y N 7.730 128.022 120.300 -0.012 0.000 2.331 232 Y HA 0.619 5.168 4.550 -0.001 0.000 0.338 232 Y C -1.126 174.665 175.900 -0.183 0.000 0.992 232 Y CA -0.660 57.351 58.100 -0.148 0.000 1.121 232 Y CB 0.999 39.165 38.460 -0.489 0.000 1.184 232 Y HN 0.356 nan 8.280 nan 0.000 0.469 233 L N 6.449 127.237 121.223 -0.725 0.000 2.329 233 L HA 0.849 5.189 4.340 -0.001 0.000 0.279 233 L C 0.209 176.409 176.870 -1.117 0.000 1.014 233 L CA -0.871 53.557 54.840 -0.687 0.000 0.814 233 L CB 1.815 43.650 42.059 -0.374 0.000 1.257 233 L HN 0.846 nan 8.230 nan 0.000 0.424 234 G N 0.500 108.478 108.800 -1.369 0.000 2.680 234 G HA2 0.644 4.604 3.960 -0.001 0.000 0.290 234 G HA3 0.644 4.604 3.960 -0.001 0.000 0.290 234 G C -1.763 172.329 174.900 -1.347 0.000 1.355 234 G CA -0.393 43.810 45.100 -1.494 0.000 0.903 234 G HN 0.454 nan 8.290 nan 0.000 0.474 235 S N -1.435 113.780 115.700 -0.808 0.000 2.556 235 S HA 0.583 5.052 4.470 -0.001 0.000 0.271 235 S C -0.831 173.572 174.600 -0.329 0.000 1.135 235 S CA -0.568 57.349 58.200 -0.472 0.000 0.858 235 S CB 1.061 64.085 63.200 -0.294 0.000 1.114 235 S HN 0.394 nan 8.310 nan 0.000 0.468 236 F N 1.825 121.885 119.950 0.182 0.000 2.693 236 F HA 0.291 4.818 4.527 -0.001 0.000 0.303 236 F C 2.174 178.055 175.800 0.135 0.000 1.097 236 F CA -0.044 58.085 58.000 0.215 0.000 1.330 236 F CB 0.054 39.166 39.000 0.186 0.000 1.067 236 F HN 0.455 nan 8.300 nan 0.000 0.565 237 S N 0.015 115.814 115.700 0.164 0.000 2.357 237 S HA -0.097 4.373 4.470 -0.001 0.000 0.221 237 S C 1.996 176.673 174.600 0.127 0.000 1.031 237 S CA 1.127 59.400 58.200 0.121 0.000 0.982 237 S CB 0.001 63.222 63.200 0.036 0.000 0.853 237 S HN 0.125 nan 8.310 nan 0.000 0.458 238 K N 0.647 121.072 120.400 0.040 0.000 2.444 238 K HA 0.312 4.632 4.320 -0.001 0.000 0.193 238 K C 1.286 177.962 176.600 0.127 0.000 1.024 238 K CA 0.185 56.480 56.287 0.014 0.000 1.077 238 K CB -0.115 32.260 32.500 -0.208 0.000 0.833 238 K HN 0.222 nan 8.250 nan 0.000 0.517 239 V N -0.227 119.820 119.914 0.222 0.000 3.570 239 V HA 0.214 4.333 4.120 -0.001 0.000 0.257 239 V C 1.300 177.604 176.094 0.351 0.000 1.272 239 V CA 0.475 62.960 62.300 0.309 0.000 1.079 239 V CB 0.396 32.460 31.823 0.402 0.000 0.829 239 V HN 0.161 nan 8.190 nan 0.000 0.454 240 L N -1.837 119.590 121.223 0.340 0.000 2.923 240 L HA 0.469 4.808 4.340 -0.001 0.000 0.161 240 L C -0.032 177.013 176.870 0.291 0.000 1.202 240 L CA 0.847 55.864 54.840 0.296 0.000 0.920 240 L CB 1.442 43.638 42.059 0.230 0.000 1.773 240 L HN 0.254 nan 8.230 nan 0.000 0.532 241 S N -0.189 115.632 115.700 0.203 0.000 2.653 241 S HA 0.381 4.851 4.470 -0.001 0.000 0.268 241 S C -2.436 172.205 174.600 0.069 0.000 1.153 241 S CA -0.928 57.304 58.200 0.054 0.000 1.036 241 S CB 1.552 64.665 63.200 -0.145 0.000 1.103 241 S HN -0.013 nan 8.310 nan 0.000 0.466 242 P HA 0.062 nan 4.420 nan 0.000 0.216 242 P C 1.691 179.011 177.300 0.033 0.000 1.153 242 P CA 1.523 64.674 63.100 0.085 0.000 0.848 242 P CB -0.169 31.608 31.700 0.128 0.000 0.787 243 G N 0.089 108.872 108.800 -0.029 0.000 2.450 243 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.220 243 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.220 243 G C 1.520 176.395 174.900 -0.043 0.000 1.130 243 G CA 0.432 45.502 45.100 -0.050 0.000 0.760 243 G HN 0.233 nan 8.290 nan 0.000 0.557 244 L N -0.790 120.406 121.223 -0.045 0.000 2.201 244 L HA 0.025 4.364 4.340 -0.001 0.000 0.212 244 L C 0.882 177.763 176.870 0.019 0.000 1.105 244 L CA 0.262 55.088 54.840 -0.024 0.000 0.775 244 L CB -0.195 41.847 42.059 -0.029 0.000 0.913 244 L HN 0.175 nan 8.230 nan 0.000 0.440 245 R N -0.364 120.163 120.500 0.045 0.000 3.209 245 R HA -0.117 4.223 4.340 -0.001 0.000 0.252 245 R C -1.155 175.207 176.300 0.104 0.000 0.958 245 R CA 0.200 56.339 56.100 0.064 0.000 0.651 245 R CB -2.815 27.510 30.300 0.041 0.000 1.142 245 R HN 0.116 nan 8.270 nan 0.000 0.441 246 V N -0.328 119.689 119.914 0.171 0.000 2.483 246 V HA 0.900 5.019 4.120 -0.001 0.000 0.297 246 V C 0.493 176.832 176.094 0.408 0.000 1.027 246 V CA -0.111 62.356 62.300 0.280 0.000 0.855 246 V CB 1.944 33.927 31.823 0.266 0.000 0.995 246 V HN 0.641 nan 8.190 nan 0.000 0.424 247 A N 4.555 127.560 122.820 0.308 0.000 2.583 247 A HA 1.101 5.421 4.320 -0.001 0.000 0.299 247 A C -1.379 176.358 177.584 0.255 0.000 1.258 247 A CA -0.578 51.539 52.037 0.135 0.000 0.682 247 A CB 2.072 21.026 19.000 -0.078 0.000 1.332 247 A HN 1.389 nan 8.150 nan 0.000 0.485 248 F N -3.300 116.645 119.950 -0.008 0.000 2.693 248 F HA 0.857 5.384 4.527 -0.001 0.000 0.309 248 F C -0.437 175.336 175.800 -0.044 0.000 1.129 248 F CA -0.732 57.279 58.000 0.019 0.000 0.948 248 F CB 1.267 40.309 39.000 0.070 0.000 1.315 248 F HN 1.050 nan 8.300 nan 0.000 0.447 249 A N 1.416 124.349 122.820 0.189 0.000 2.374 249 A HA 0.886 5.205 4.320 -0.001 0.000 0.317 249 A C -1.751 175.943 177.584 0.183 0.000 1.094 249 A CA -0.966 51.132 52.037 0.101 0.000 0.765 249 A CB 1.787 20.825 19.000 0.063 0.000 1.268 249 A HN 0.946 nan 8.150 nan 0.000 0.438 250 V N 0.747 120.740 119.914 0.132 0.000 2.577 250 V HA 0.836 4.955 4.120 -0.001 0.000 0.303 250 V C 0.071 176.238 176.094 0.122 0.000 1.042 250 V CA 0.181 62.528 62.300 0.078 0.000 0.872 250 V CB 1.302 33.072 31.823 -0.087 0.000 0.998 250 V HN 1.660 nan 8.190 nan 0.000 0.423 251 A N 2.477 125.402 122.820 0.175 0.000 2.612 251 A HA 0.638 4.958 4.320 -0.001 0.000 0.293 251 A C -0.812 176.903 177.584 0.219 0.000 1.075 251 A CA -0.642 51.533 52.037 0.231 0.000 0.680 251 A CB 1.273 20.385 19.000 0.186 0.000 1.279 251 A HN 0.954 nan 8.150 nan 0.000 0.411 252 H N 1.461 120.600 119.070 0.116 0.000 3.064 252 H HA 0.042 4.598 4.556 -0.001 0.000 0.329 252 H C -1.633 173.728 175.328 0.054 0.000 1.020 252 H CA -0.081 56.003 56.048 0.060 0.000 1.402 252 H CB 0.988 30.758 29.762 0.014 0.000 1.379 252 H HN 0.249 nan 8.280 nan 0.000 0.594 253 P HA -0.192 nan 4.420 nan 0.000 0.218 253 P C 1.103 178.450 177.300 0.078 0.000 1.152 253 P CA 1.799 64.847 63.100 -0.086 0.000 0.857 253 P CB 0.225 31.799 31.700 -0.210 0.000 0.787 254 E N -0.994 119.374 120.200 0.280 0.000 2.046 254 E HA -0.102 4.247 4.350 -0.001 0.000 0.190 254 E C 2.129 178.815 176.600 0.143 0.000 0.982 254 E CA 1.084 57.611 56.400 0.212 0.000 0.800 254 E CB -0.475 29.360 29.700 0.225 0.000 0.756 254 E HN 0.142 nan 8.360 nan 0.000 0.449 255 A N 1.604 124.544 122.820 0.199 0.000 1.898 255 A HA -0.143 4.177 4.320 -0.001 0.000 0.216 255 A C 2.154 179.807 177.584 0.114 0.000 1.181 255 A CA 0.749 52.882 52.037 0.159 0.000 0.620 255 A CB -0.543 18.606 19.000 0.250 0.000 0.819 255 A HN 0.211 nan 8.150 nan 0.000 0.442 256 L N -0.623 120.674 121.223 0.123 0.000 2.012 256 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 256 L C 2.628 179.531 176.870 0.055 0.000 1.073 256 L CA 1.996 56.890 54.840 0.089 0.000 0.748 256 L CB -0.845 41.263 42.059 0.082 0.000 0.891 256 L HN 0.428 nan 8.230 nan 0.000 0.431 257 Q N -0.083 119.744 119.800 0.044 0.000 2.096 257 Q HA -0.210 4.130 4.340 -0.001 0.000 0.204 257 Q C 2.125 178.128 176.000 0.004 0.000 0.982 257 Q CA 1.266 57.082 55.803 0.023 0.000 0.850 257 Q CB -0.189 28.560 28.738 0.019 0.000 0.901 257 Q HN 0.386 nan 8.270 nan 0.000 0.422 258 K N 0.612 121.003 120.400 -0.014 0.000 2.063 258 K HA -0.079 4.241 4.320 -0.001 0.000 0.208 258 K C 2.282 178.858 176.600 -0.040 0.000 1.048 258 K CA 0.822 57.075 56.287 -0.056 0.000 0.928 258 K CB -0.572 31.848 32.500 -0.132 0.000 0.713 258 K HN 0.253 nan 8.250 nan 0.000 0.442 259 L N 0.397 121.614 121.223 -0.009 0.000 2.056 259 L HA -0.157 4.183 4.340 -0.001 0.000 0.207 259 L C 2.432 179.318 176.870 0.026 0.000 1.078 259 L CA 0.738 55.589 54.840 0.017 0.000 0.749 259 L CB -0.597 41.494 42.059 0.054 0.000 0.901 259 L HN -0.119 nan 8.230 nan 0.000 0.433 260 V N -0.275 119.658 119.914 0.031 0.000 2.332 260 V HA -0.319 3.801 4.120 -0.001 0.000 0.248 260 V C 2.476 178.584 176.094 0.023 0.000 1.055 260 V CA 1.803 64.124 62.300 0.035 0.000 1.038 260 V CB -0.576 31.268 31.823 0.035 0.000 0.651 260 V HN 0.514 nan 8.190 nan 0.000 0.450 261 Q N -0.388 119.418 119.800 0.009 0.000 2.119 261 Q HA -0.114 4.226 4.340 -0.001 0.000 0.201 261 Q C 2.397 178.397 176.000 -0.001 0.000 0.972 261 Q CA 1.559 57.362 55.803 0.000 0.000 0.847 261 Q CB -0.360 28.372 28.738 -0.010 0.000 0.903 261 Q HN 0.681 nan 8.270 nan 0.000 0.433 262 A N 1.525 124.342 122.820 -0.004 0.000 1.930 262 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 262 A C 2.008 179.600 177.584 0.013 0.000 1.175 262 A CA 1.489 53.525 52.037 -0.001 0.000 0.627 262 A CB -0.317 18.678 19.000 -0.008 0.000 0.815 262 A HN 0.204 nan 8.150 nan 0.000 0.443 263 K N -0.415 119.999 120.400 0.024 0.000 2.062 263 K HA -0.189 4.130 4.320 -0.001 0.000 0.205 263 K C 2.228 178.848 176.600 0.033 0.000 1.051 263 K CA 1.372 57.680 56.287 0.035 0.000 0.941 263 K CB -0.251 32.280 32.500 0.052 0.000 0.719 263 K HN 0.575 nan 8.250 nan 0.000 0.440 264 Q N -0.025 119.795 119.800 0.032 0.000 2.028 264 Q HA -0.221 4.119 4.340 -0.001 0.000 0.213 264 Q C 1.860 177.866 176.000 0.010 0.000 1.017 264 Q CA 2.465 58.282 55.803 0.024 0.000 0.875 264 Q CB -0.619 28.128 28.738 0.015 0.000 0.962 264 Q HN 0.517 nan 8.270 nan 0.000 0.413 265 G N -0.845 107.959 108.800 0.006 0.000 2.509 265 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.218 265 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.218 265 G C 1.270 176.173 174.900 0.005 0.000 1.124 265 G CA 0.768 45.869 45.100 0.002 0.000 0.776 265 G HN 0.527 nan 8.290 nan 0.000 0.547 266 A N 1.172 123.998 122.820 0.009 0.000 1.855 266 A HA 0.189 4.508 4.320 -0.001 0.000 0.213 266 A C 1.680 179.266 177.584 0.003 0.000 1.195 266 A CA 1.994 54.036 52.037 0.009 0.000 0.610 266 A CB 0.083 19.093 19.000 0.016 0.000 0.837 266 A HN 0.433 nan 8.150 nan 0.000 0.444 267 D N -3.061 117.339 120.400 0.001 0.000 2.640 267 D HA 0.250 4.889 4.640 -0.001 0.000 0.282 267 D C 0.627 176.904 176.300 -0.038 0.000 1.558 267 D CA 0.284 54.273 54.000 -0.019 0.000 0.820 267 D CB -0.856 39.928 40.800 -0.026 0.000 1.243 267 D HN 0.301 nan 8.370 nan 0.000 0.456 268 L N -0.444 120.777 121.223 -0.002 0.000 3.370 268 L HA -0.318 4.022 4.340 -0.001 0.000 0.308 268 L C 0.388 177.331 176.870 0.121 0.000 4.222 268 L CA 2.233 57.093 54.840 0.032 0.000 1.163 268 L CB -1.810 40.262 42.059 0.021 0.000 3.373 268 L HN 0.705 nan 8.230 nan 0.000 0.809 269 H N -2.244 116.871 119.070 0.076 0.000 3.003 269 H HA 0.375 4.930 4.556 -0.001 0.000 0.327 269 H C -1.013 174.361 175.328 0.076 0.000 1.353 269 H CA -0.203 55.892 56.048 0.078 0.000 1.142 269 H CB 1.324 31.141 29.762 0.092 0.000 1.864 269 H HN -0.041 nan 8.280 nan 0.000 0.529 270 T N 4.469 119.147 114.554 0.208 0.000 2.870 270 T HA 0.155 4.504 4.350 -0.001 0.000 0.300 270 T C -2.282 172.551 174.700 0.221 0.000 0.989 270 T CA -0.699 61.487 62.100 0.145 0.000 1.139 270 T CB 0.444 69.403 68.868 0.151 0.000 0.920 270 T HN 0.362 nan 8.240 nan 0.000 0.537 271 P HA -0.033 nan 4.420 nan 0.000 0.261 271 P C 0.626 177.996 177.300 0.116 0.000 1.173 271 P CA 0.006 63.163 63.100 0.095 0.000 0.760 271 P CB 0.477 32.186 31.700 0.015 0.000 0.783 272 M N 5.115 124.791 119.600 0.126 0.000 2.132 272 M HA -0.093 4.387 4.480 -0.001 0.000 0.263 272 M C 1.852 178.078 176.300 -0.124 0.000 1.065 272 M CA 1.494 56.789 55.300 -0.009 0.000 1.122 272 M CB -1.060 31.509 32.600 -0.051 0.000 1.365 272 M HN 0.291 nan 8.290 nan 0.000 0.411 273 L N 0.190 121.355 121.223 -0.097 0.000 2.021 273 L HA -0.346 3.994 4.340 -0.001 0.000 0.215 273 L C 1.841 178.637 176.870 -0.123 0.000 1.074 273 L CA 2.129 56.896 54.840 -0.123 0.000 0.760 273 L CB -0.885 41.124 42.059 -0.083 0.000 0.889 273 L HN 0.516 nan 8.230 nan 0.000 0.433 274 N N -0.655 117.999 118.700 -0.077 0.000 2.120 274 N HA -0.241 4.498 4.740 -0.001 0.000 0.188 274 N C 1.686 177.148 175.510 -0.079 0.000 1.024 274 N CA 1.478 54.489 53.050 -0.065 0.000 0.852 274 N CB -0.158 38.315 38.487 -0.024 0.000 1.003 274 N HN 0.584 nan 8.380 nan 0.000 0.424 275 Q N 0.706 120.470 119.800 -0.061 0.000 2.050 275 Q HA -0.039 4.300 4.340 -0.001 0.000 0.202 275 Q C 2.149 178.089 176.000 -0.100 0.000 0.980 275 Q CA 1.248 57.029 55.803 -0.037 0.000 0.840 275 Q CB -0.125 28.644 28.738 0.052 0.000 0.898 275 Q HN 0.421 nan 8.270 nan 0.000 0.424 276 M N 0.060 119.484 119.600 -0.294 0.000 2.159 276 M HA -0.155 4.324 4.480 -0.001 0.000 0.263 276 M C 2.144 178.348 176.300 -0.161 0.000 1.063 276 M CA 0.919 55.980 55.300 -0.397 0.000 1.110 276 M CB -0.251 31.987 32.600 -0.604 0.000 1.374 276 M HN 0.180 nan 8.290 nan 0.000 0.411 277 L N 0.165 121.290 121.223 -0.165 0.000 2.017 277 L HA -0.112 4.227 4.340 -0.001 0.000 0.208 277 L C 2.245 179.001 176.870 -0.189 0.000 1.073 277 L CA 1.580 56.330 54.840 -0.149 0.000 0.745 277 L CB -0.579 41.402 42.059 -0.130 0.000 0.894 277 L HN 0.014 nan 8.230 nan 0.000 0.432 278 V N -0.340 119.438 119.914 -0.227 0.000 2.287 278 V HA -0.377 3.743 4.120 -0.001 0.000 0.248 278 V C 2.568 178.385 176.094 -0.462 0.000 1.053 278 V CA 2.165 64.231 62.300 -0.389 0.000 1.027 278 V CB -0.955 30.544 31.823 -0.541 0.000 0.646 278 V HN 0.663 nan 8.190 nan 0.000 0.447 279 H N -0.022 118.793 119.070 -0.425 0.000 2.265 279 H HA -0.191 4.365 4.556 -0.001 0.000 0.295 279 H C 2.487 177.597 175.328 -0.364 0.000 1.084 279 H CA 1.988 57.774 56.048 -0.436 0.000 1.261 279 H CB 0.181 29.872 29.762 -0.118 0.000 1.360 279 H HN 0.386 nan 8.280 nan 0.000 0.487 280 E N 0.797 120.824 120.200 -0.288 0.000 2.070 280 E HA -0.187 4.163 4.350 -0.001 0.000 0.197 280 E C 2.672 179.095 176.600 -0.295 0.000 1.004 280 E CA 0.877 57.109 56.400 -0.280 0.000 0.805 280 E CB -0.464 29.147 29.700 -0.149 0.000 0.744 280 E HN 0.547 nan 8.360 nan 0.000 0.451 281 L N -0.232 120.822 121.223 -0.281 0.000 2.083 281 L HA -0.187 4.153 4.340 -0.001 0.000 0.209 281 L C 2.190 178.891 176.870 -0.282 0.000 1.083 281 L CA 0.639 55.339 54.840 -0.234 0.000 0.752 281 L CB -0.198 41.744 42.059 -0.196 0.000 0.899 281 L HN 0.117 nan 8.230 nan 0.000 0.433 282 L N -0.552 120.375 121.223 -0.493 0.000 2.515 282 L HA -0.011 4.329 4.340 -0.001 0.000 0.223 282 L C 2.353 178.942 176.870 -0.468 0.000 1.079 282 L CA 1.055 55.531 54.840 -0.606 0.000 0.857 282 L CB -0.440 40.926 42.059 -1.154 0.000 1.050 282 L HN 0.228 nan 8.230 nan 0.000 0.476 283 K N -0.450 119.610 120.400 -0.567 0.000 2.211 283 K HA -0.091 4.228 4.320 -0.001 0.000 0.204 283 K C 0.073 176.660 176.600 -0.020 0.000 1.047 283 K CA 1.055 57.159 56.287 -0.304 0.000 0.935 283 K CB 0.013 32.159 32.500 -0.591 0.000 0.728 283 K HN 0.176 nan 8.250 nan 0.000 0.452 284 E N -0.099 120.068 120.200 -0.054 0.000 2.248 284 E HA 0.255 4.604 4.350 -0.001 0.000 0.267 284 E C -0.247 176.385 176.600 0.053 0.000 0.877 284 E CA -0.247 56.166 56.400 0.023 0.000 0.759 284 E CB 1.870 31.568 29.700 -0.003 0.000 1.182 284 E HN 0.376 nan 8.360 nan 0.000 0.418 285 G N 2.502 111.359 108.800 0.095 0.000 2.182 285 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.248 285 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.248 285 G C 0.337 175.346 174.900 0.181 0.000 1.042 285 G CA 0.359 45.521 45.100 0.103 0.000 0.775 285 G HN 0.525 nan 8.290 nan 0.000 0.501 286 F N 1.534 121.494 119.950 0.018 0.000 2.163 286 F HA 0.052 4.579 4.527 -0.000 0.000 0.297 286 F C 2.421 178.217 175.800 -0.007 0.000 1.094 286 F CA 1.802 59.806 58.000 0.006 0.000 1.290 286 F CB -0.606 38.416 39.000 0.038 0.000 1.017 286 F HN 0.211 nan 8.300 nan 0.000 0.483 287 S N 0.384 116.064 115.700 -0.034 0.000 2.365 287 S HA -0.233 4.236 4.470 -0.001 0.000 0.225 287 S C 1.776 176.340 174.600 -0.059 0.000 1.039 287 S CA 1.758 59.891 58.200 -0.112 0.000 1.033 287 S CB -0.339 62.845 63.200 -0.026 0.000 0.887 287 S HN 0.376 nan 8.310 nan 0.000 0.447 288 E N 0.904 121.107 120.200 0.004 0.000 2.077 288 E HA -0.102 4.248 4.350 -0.001 0.000 0.193 288 E C 2.119 178.729 176.600 0.018 0.000 0.989 288 E CA 0.877 57.286 56.400 0.015 0.000 0.800 288 E CB -0.207 29.512 29.700 0.032 0.000 0.746 288 E HN 0.401 nan 8.360 nan 0.000 0.452 289 R N 0.198 120.727 120.500 0.049 0.000 2.091 289 R HA -0.157 4.183 4.340 -0.001 0.000 0.238 289 R C 1.783 178.105 176.300 0.036 0.000 1.136 289 R CA 1.090 57.238 56.100 0.079 0.000 0.959 289 R CB -0.222 30.188 30.300 0.184 0.000 0.856 289 R HN 0.128 nan 8.270 nan 0.000 0.437 290 L N 1.282 122.464 121.223 -0.068 0.000 2.046 290 L HA -0.115 4.225 4.340 -0.001 0.000 0.208 290 L C 2.247 179.079 176.870 -0.062 0.000 1.077 290 L CA 1.805 56.577 54.840 -0.114 0.000 0.747 290 L CB -0.968 40.911 42.059 -0.301 0.000 0.896 290 L HN 0.238 nan 8.230 nan 0.000 0.432 291 E N -0.662 119.506 120.200 -0.054 0.000 2.153 291 E HA -0.245 4.105 4.350 -0.001 0.000 0.194 291 E C 2.394 178.981 176.600 -0.020 0.000 0.988 291 E CA 1.054 57.431 56.400 -0.038 0.000 0.811 291 E CB 0.025 29.715 29.700 -0.016 0.000 0.746 291 E HN 0.295 nan 8.360 nan 0.000 0.466 292 R N -0.137 120.361 120.500 -0.003 0.000 2.062 292 R HA -0.109 4.231 4.340 -0.001 0.000 0.229 292 R C 2.390 178.698 176.300 0.013 0.000 1.128 292 R CA 1.468 57.569 56.100 0.000 0.000 0.960 292 R CB -0.468 29.837 30.300 0.008 0.000 0.855 292 R HN 0.242 nan 8.270 nan 0.000 0.432 293 V N -0.106 119.848 119.914 0.066 0.000 2.282 293 V HA -0.262 3.857 4.120 -0.001 0.000 0.249 293 V C 2.313 178.544 176.094 0.227 0.000 1.057 293 V CA 2.239 64.641 62.300 0.169 0.000 1.032 293 V CB -0.788 31.208 31.823 0.288 0.000 0.645 293 V HN 0.342 nan 8.190 nan 0.000 0.447 294 R N 0.062 120.639 120.500 0.128 0.000 2.112 294 R HA -0.209 4.131 4.340 -0.001 0.000 0.242 294 R C 2.694 179.033 176.300 0.066 0.000 1.137 294 R CA 2.582 58.737 56.100 0.092 0.000 0.944 294 R CB -0.530 29.717 30.300 -0.089 0.000 0.857 294 R HN 0.576 nan 8.270 nan 0.000 0.435 295 R N -0.748 119.746 120.500 -0.010 0.000 2.091 295 R HA -0.126 4.214 4.340 -0.001 0.000 0.238 295 R C 2.121 178.352 176.300 -0.115 0.000 1.136 295 R CA 1.763 57.824 56.100 -0.065 0.000 0.959 295 R CB -0.212 30.055 30.300 -0.056 0.000 0.856 295 R HN 0.121 nan 8.270 nan 0.000 0.437 296 V N -0.522 119.317 119.914 -0.125 0.000 2.379 296 V HA -0.222 3.898 4.120 -0.001 0.000 0.245 296 V C 1.592 177.497 176.094 -0.314 0.000 1.044 296 V CA 1.616 63.764 62.300 -0.253 0.000 1.036 296 V CB -0.432 31.175 31.823 -0.360 0.000 0.664 296 V HN 0.353 nan 8.190 nan 0.000 0.453 297 Y N -0.205 120.092 120.300 -0.005 0.000 2.395 297 Y HA -0.056 4.494 4.550 -0.001 0.000 0.293 297 Y C 2.651 178.356 175.900 -0.325 0.000 1.123 297 Y CA 1.278 59.425 58.100 0.078 0.000 1.227 297 Y CB -0.236 38.422 38.460 0.331 0.000 1.012 297 Y HN 0.051 nan 8.280 nan 0.000 0.552 298 R N 0.996 121.159 120.500 -0.561 0.000 2.083 298 R HA -0.250 4.089 4.340 -0.001 0.000 0.237 298 R C 2.206 178.086 176.300 -0.699 0.000 1.137 298 R CA 2.069 57.441 56.100 -1.213 0.000 0.951 298 R CB -0.230 29.639 30.300 -0.719 0.000 0.851 298 R HN 0.482 nan 8.270 nan 0.000 0.434 299 E N 0.455 120.410 120.200 -0.408 0.000 2.077 299 E HA -0.213 4.137 4.350 -0.001 0.000 0.193 299 E C 1.689 178.115 176.600 -0.289 0.000 0.989 299 E CA 1.476 57.703 56.400 -0.288 0.000 0.800 299 E CB 0.128 29.710 29.700 -0.197 0.000 0.746 299 E HN 0.287 nan 8.360 nan 0.000 0.452 300 K N 0.142 120.377 120.400 -0.276 0.000 2.097 300 K HA -0.038 4.282 4.320 -0.001 0.000 0.205 300 K C 2.174 178.457 176.600 -0.528 0.000 1.050 300 K CA 0.967 57.126 56.287 -0.213 0.000 0.938 300 K CB -0.105 32.416 32.500 0.035 0.000 0.718 300 K HN 0.182 nan 8.250 nan 0.000 0.442 301 A N 1.344 123.610 122.820 -0.923 0.000 1.877 301 A HA -0.207 4.113 4.320 -0.001 0.000 0.216 301 A C 2.120 179.306 177.584 -0.663 0.000 1.186 301 A CA 1.317 52.607 52.037 -1.245 0.000 0.620 301 A CB -0.360 18.083 19.000 -0.928 0.000 0.822 301 A HN 0.182 nan 8.150 nan 0.000 0.443 302 Q N -0.629 118.841 119.800 -0.550 0.000 2.119 302 Q HA -0.107 4.233 4.340 -0.001 0.000 0.201 302 Q C 2.460 178.200 176.000 -0.435 0.000 0.972 302 Q CA 1.552 57.051 55.803 -0.507 0.000 0.847 302 Q CB -0.649 27.857 28.738 -0.386 0.000 0.903 302 Q HN 0.657 nan 8.270 nan 0.000 0.433 303 A N 0.842 123.506 122.820 -0.260 0.000 1.902 303 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 303 A C 2.111 179.621 177.584 -0.123 0.000 1.181 303 A CA 1.677 53.646 52.037 -0.113 0.000 0.623 303 A CB -0.552 18.405 19.000 -0.071 0.000 0.818 303 A HN 0.398 nan 8.150 nan 0.000 0.443 304 M N -0.692 118.786 119.600 -0.203 0.000 2.132 304 M HA -0.039 4.440 4.480 -0.001 0.000 0.263 304 M C 1.915 178.088 176.300 -0.212 0.000 1.065 304 M CA 1.418 56.599 55.300 -0.199 0.000 1.122 304 M CB -0.231 32.251 32.600 -0.197 0.000 1.365 304 M HN 0.415 nan 8.290 nan 0.000 0.411 305 L N -0.782 120.298 121.223 -0.238 0.000 2.046 305 L HA -0.257 4.083 4.340 -0.001 0.000 0.208 305 L C 2.251 179.082 176.870 -0.066 0.000 1.077 305 L CA 1.638 56.385 54.840 -0.154 0.000 0.747 305 L CB -1.003 40.941 42.059 -0.192 0.000 0.896 305 L HN 0.437 nan 8.230 nan 0.000 0.432 306 H N -1.037 118.000 119.070 -0.054 0.000 2.389 306 H HA -0.090 4.466 4.556 -0.000 0.000 0.299 306 H C 2.293 177.599 175.328 -0.037 0.000 1.081 306 H CA 0.767 56.795 56.048 -0.033 0.000 1.345 306 H CB 0.098 29.834 29.762 -0.044 0.000 1.393 306 H HN 0.392 nan 8.280 nan 0.000 0.520 307 A N 0.888 123.739 122.820 0.051 0.000 1.898 307 A HA -0.105 4.215 4.320 -0.001 0.000 0.216 307 A C 2.291 179.846 177.584 -0.049 0.000 1.181 307 A CA 0.987 53.024 52.037 -0.000 0.000 0.620 307 A CB -0.667 18.321 19.000 -0.020 0.000 0.819 307 A HN 0.264 nan 8.150 nan 0.000 0.442 308 L N -0.306 120.830 121.223 -0.144 0.000 2.046 308 L HA -0.214 4.125 4.340 -0.001 0.000 0.208 308 L C 2.082 178.935 176.870 -0.028 0.000 1.077 308 L CA 1.503 56.180 54.840 -0.272 0.000 0.747 308 L CB -0.714 40.868 42.059 -0.795 0.000 0.896 308 L HN 0.288 nan 8.230 nan 0.000 0.432 309 D N -0.254 120.216 120.400 0.117 0.000 2.149 309 D HA -0.215 4.424 4.640 -0.001 0.000 0.198 309 D C 2.221 178.583 176.300 0.104 0.000 0.990 309 D CA 1.282 55.394 54.000 0.187 0.000 0.839 309 D CB -0.155 40.752 40.800 0.177 0.000 0.948 309 D HN 0.345 nan 8.370 nan 0.000 0.460 310 R N 0.584 121.122 120.500 0.064 0.000 2.127 310 R HA -0.018 4.322 4.340 -0.001 0.000 0.217 310 R C 1.244 177.561 176.300 0.029 0.000 1.074 310 R CA 1.007 57.130 56.100 0.038 0.000 0.991 310 R CB 0.213 30.528 30.300 0.026 0.000 0.895 310 R HN -0.030 nan 8.270 nan 0.000 0.450 311 E N 0.345 120.556 120.200 0.017 0.000 2.473 311 E HA 0.133 4.482 4.350 -0.001 0.000 0.204 311 E C -0.319 176.288 176.600 0.011 0.000 0.994 311 E CA 0.111 56.516 56.400 0.009 0.000 0.945 311 E CB 1.340 31.039 29.700 -0.002 0.000 0.990 311 E HN 0.077 nan 8.360 nan 0.000 0.493 312 V N 4.743 124.672 119.914 0.025 0.000 2.384 312 V HA 0.234 4.354 4.120 -0.001 0.000 0.287 312 V C -2.153 173.990 176.094 0.082 0.000 1.020 312 V CA -1.847 60.479 62.300 0.044 0.000 0.850 312 V CB 1.609 33.449 31.823 0.029 0.000 0.987 312 V HN -0.001 nan 8.190 nan 0.000 0.436 313 P HA 0.103 nan 4.420 nan 0.000 0.267 313 P C 0.082 177.414 177.300 0.054 0.000 1.200 313 P CA -0.296 62.831 63.100 0.045 0.000 0.772 313 P CB 1.116 32.833 31.700 0.029 0.000 0.855 314 K N 1.196 121.616 120.400 0.033 0.000 2.525 314 K HA -0.056 4.264 4.320 -0.001 0.000 0.192 314 K C 1.336 177.936 176.600 0.001 0.000 1.029 314 K CA 0.879 57.174 56.287 0.014 0.000 1.029 314 K CB -0.215 32.286 32.500 0.001 0.000 0.814 314 K HN 0.355 nan 8.250 nan 0.000 0.503 315 E N -0.638 119.567 120.200 0.008 0.000 2.347 315 E HA -0.052 4.298 4.350 -0.001 0.000 0.196 315 E C 0.119 176.719 176.600 -0.001 0.000 1.008 315 E CA 0.356 56.757 56.400 0.001 0.000 0.852 315 E CB 0.287 29.989 29.700 0.003 0.000 0.783 315 E HN 0.117 nan 8.360 nan 0.000 0.505 316 V N 0.504 120.427 119.914 0.015 0.000 2.435 316 V HA 0.468 4.588 4.120 -0.001 0.000 0.290 316 V C -0.684 175.430 176.094 0.033 0.000 1.030 316 V CA -0.939 61.374 62.300 0.021 0.000 0.881 316 V CB 1.426 33.262 31.823 0.022 0.000 0.983 316 V HN -0.059 nan 8.190 nan 0.000 0.445 317 R N 5.352 125.847 120.500 -0.008 0.000 2.486 317 R HA 0.743 5.083 4.340 -0.001 0.000 0.286 317 R C -1.282 175.025 176.300 0.012 0.000 0.999 317 R CA -0.247 55.806 56.100 -0.079 0.000 0.993 317 R CB 1.566 31.828 30.300 -0.065 0.000 1.084 317 R HN 0.907 nan 8.270 nan 0.000 0.487 318 Y N -2.638 117.644 120.300 -0.030 0.000 2.571 318 Y HA 0.499 5.048 4.550 -0.001 0.000 0.341 318 Y C -0.311 175.611 175.900 0.038 0.000 1.076 318 Y CA -1.546 56.542 58.100 -0.019 0.000 1.029 318 Y CB 0.773 39.205 38.460 -0.048 0.000 1.308 318 Y HN 0.645 nan 8.280 nan 0.000 0.461 319 T N -0.137 114.562 114.554 0.242 0.000 2.868 319 T HA 0.538 4.887 4.350 -0.001 0.000 0.292 319 T C -0.299 174.528 174.700 0.212 0.000 1.028 319 T CA -0.965 61.250 62.100 0.192 0.000 1.059 319 T CB 0.723 69.728 68.868 0.229 0.000 0.991 319 T HN 0.793 nan 8.240 nan 0.000 0.531 320 R N 2.222 122.809 120.500 0.144 0.000 2.363 320 R HA 0.340 4.679 4.340 -0.001 0.000 0.297 320 R C -2.526 173.858 176.300 0.139 0.000 1.208 320 R CA -1.747 54.434 56.100 0.134 0.000 1.121 320 R CB 0.844 31.192 30.300 0.081 0.000 1.124 320 R HN 0.598 nan 8.270 nan 0.000 0.561 321 P HA 0.061 nan 4.420 nan 0.000 0.271 321 P C -0.432 176.958 177.300 0.151 0.000 1.216 321 P CA -0.232 62.966 63.100 0.162 0.000 0.776 321 P CB 1.064 32.880 31.700 0.193 0.000 0.881 322 K N 1.093 121.534 120.400 0.069 0.000 2.410 322 K HA 0.411 4.731 4.320 -0.001 0.000 0.200 322 K C 0.880 177.050 176.600 -0.717 0.000 1.023 322 K CA -0.173 56.131 56.287 0.027 0.000 1.149 322 K CB 0.336 32.951 32.500 0.193 0.000 0.859 322 K HN 0.745 nan 8.250 nan 0.000 0.514 323 G N -0.698 107.187 108.800 -1.525 0.000 2.315 323 G HA2 0.384 4.344 3.960 -0.001 0.000 0.294 323 G HA3 0.384 4.344 3.960 -0.001 0.000 0.294 323 G C -0.290 173.594 174.900 -1.693 0.000 1.300 323 G CA -0.354 43.012 45.100 -2.890 0.000 0.843 323 G HN 0.251 nan 8.290 nan 0.000 0.527 324 G N -1.046 107.013 108.800 -1.235 0.000 2.562 324 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.250 324 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.250 324 G C 0.778 175.404 174.900 -0.457 0.000 1.269 324 G CA 1.003 45.746 45.100 -0.596 0.000 0.919 324 G HN 1.390 nan 8.290 nan 0.000 0.574 325 M N -0.506 118.569 119.600 -0.875 0.000 2.300 325 M HA 0.407 4.887 4.480 -0.001 0.000 0.313 325 M C -0.588 174.696 176.300 -1.694 0.000 0.988 325 M CA 0.342 54.858 55.300 -1.307 0.000 1.012 325 M CB 0.829 32.626 32.600 -1.338 0.000 1.586 325 M HN 0.208 nan 8.290 nan 0.000 0.562 326 F N -0.005 119.663 119.950 -0.471 0.000 2.532 326 F HA 0.581 5.108 4.527 -0.001 0.000 0.321 326 F C -0.224 175.627 175.800 0.085 0.000 1.089 326 F CA -1.439 56.429 58.000 -0.221 0.000 0.926 326 F CB 1.211 40.111 39.000 -0.166 0.000 1.168 326 F HN -0.422 nan 8.300 nan 0.000 0.459 327 V N 2.504 122.622 119.914 0.339 0.000 2.417 327 V HA 0.239 4.359 4.120 -0.001 0.000 0.291 327 V C -0.901 175.364 176.094 0.285 0.000 1.024 327 V CA -0.930 61.549 62.300 0.298 0.000 0.861 327 V CB 1.819 33.760 31.823 0.196 0.000 0.985 327 V HN 0.831 nan 8.190 nan 0.000 0.436 328 W N 7.626 128.962 121.300 0.060 0.000 2.429 328 W HA 0.663 5.322 4.660 -0.001 0.000 0.314 328 W C -0.902 175.642 176.519 0.041 0.000 1.062 328 W CA -0.833 56.511 57.345 -0.002 0.000 1.211 328 W CB 1.687 31.127 29.460 -0.034 0.000 1.305 328 W HN 0.586 nan 8.180 nan 0.000 0.476 329 M N 5.741 125.044 119.600 -0.494 0.000 2.383 329 M HA 0.363 4.843 4.480 -0.001 0.000 0.325 329 M C -1.252 174.737 176.300 -0.519 0.000 1.092 329 M CA -0.154 54.936 55.300 -0.350 0.000 0.961 329 M CB 1.947 34.385 32.600 -0.270 0.000 1.672 329 M HN 0.448 nan 8.290 nan 0.000 0.438 330 E N 5.225 125.265 120.200 -0.267 0.000 2.191 330 E HA 0.448 4.798 4.350 -0.001 0.000 0.263 330 E C -1.279 175.250 176.600 -0.118 0.000 0.881 330 E CA -0.663 55.611 56.400 -0.210 0.000 0.757 330 E CB 2.169 31.804 29.700 -0.108 0.000 1.147 330 E HN 0.680 nan 8.360 nan 0.000 0.414 331 L N 3.430 124.583 121.223 -0.117 0.000 2.439 331 L HA 0.345 4.685 4.340 -0.001 0.000 0.261 331 L C -1.899 174.944 176.870 -0.045 0.000 1.153 331 L CA -2.172 52.628 54.840 -0.068 0.000 0.808 331 L CB -0.162 41.861 42.059 -0.061 0.000 1.126 331 L HN 0.275 nan 8.230 nan 0.000 0.460 332 P HA -0.091 nan 4.420 nan 0.000 0.264 332 P C -0.597 176.691 177.300 -0.021 0.000 1.183 332 P CA -0.055 63.034 63.100 -0.019 0.000 0.763 332 P CB 0.378 32.071 31.700 -0.011 0.000 0.807 333 K N 2.441 122.829 120.400 -0.019 0.000 2.440 333 K HA 0.017 4.337 4.320 -0.001 0.000 0.275 333 K C 1.178 177.769 176.600 -0.016 0.000 1.082 333 K CA 1.487 57.762 56.287 -0.021 0.000 1.135 333 K CB -0.884 31.606 32.500 -0.017 0.000 0.864 333 K HN 0.849 nan 8.250 nan 0.000 0.479 334 G N 3.347 112.136 108.800 -0.017 0.000 2.336 334 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.194 334 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.194 334 G C -0.019 174.878 174.900 -0.004 0.000 0.999 334 G CA -0.336 44.758 45.100 -0.010 0.000 0.669 334 G HN 0.492 nan 8.290 nan 0.000 0.482 335 L N 1.924 123.143 121.223 -0.006 0.000 2.334 335 L HA 0.687 5.027 4.340 -0.001 0.000 0.277 335 L C 0.630 177.503 176.870 0.005 0.000 1.075 335 L CA -0.407 54.436 54.840 0.004 0.000 0.804 335 L CB 1.777 43.838 42.059 0.003 0.000 1.174 335 L HN 0.254 nan 8.230 nan 0.000 0.438 336 S N 1.312 117.028 115.700 0.026 0.000 2.442 336 S HA 0.475 4.945 4.470 -0.001 0.000 0.297 336 S C 0.746 175.395 174.600 0.082 0.000 1.131 336 S CA -0.176 58.048 58.200 0.040 0.000 1.092 336 S CB 1.802 65.027 63.200 0.043 0.000 0.998 336 S HN 0.705 nan 8.310 nan 0.000 0.478 337 A N 4.085 126.960 122.820 0.092 0.000 2.014 337 A HA 0.035 4.355 4.320 -0.001 0.000 0.218 337 A C 2.059 179.831 177.584 0.312 0.000 1.163 337 A CA 0.855 53.008 52.037 0.193 0.000 0.652 337 A CB -0.508 18.580 19.000 0.147 0.000 0.808 337 A HN 0.879 nan 8.150 nan 0.000 0.449 338 E N -0.202 120.111 120.200 0.188 0.000 2.072 338 E HA -0.128 4.222 4.350 -0.001 0.000 0.191 338 E C 2.231 178.963 176.600 0.221 0.000 0.985 338 E CA 1.076 57.583 56.400 0.178 0.000 0.801 338 E CB -0.532 29.214 29.700 0.077 0.000 0.750 338 E HN 0.559 nan 8.360 nan 0.000 0.452 339 G N 2.015 110.909 108.800 0.157 0.000 2.491 339 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.218 339 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.218 339 G C 1.652 176.650 174.900 0.164 0.000 1.180 339 G CA 0.615 45.793 45.100 0.129 0.000 0.774 339 G HN 0.224 nan 8.290 nan 0.000 0.562 340 L N -0.576 120.780 121.223 0.221 0.000 2.043 340 L HA -0.113 4.226 4.340 -0.001 0.000 0.212 340 L C 2.622 179.718 176.870 0.377 0.000 1.075 340 L CA 1.878 56.898 54.840 0.299 0.000 0.752 340 L CB -0.366 41.899 42.059 0.343 0.000 0.891 340 L HN 0.311 nan 8.230 nan 0.000 0.432 341 F N 0.829 120.889 119.950 0.183 0.000 2.126 341 F HA -0.260 4.267 4.527 -0.001 0.000 0.299 341 F C 2.628 178.334 175.800 -0.157 0.000 1.096 341 F CA 1.430 59.275 58.000 -0.259 0.000 1.255 341 F CB -0.210 38.599 39.000 -0.318 0.000 0.997 341 F HN 0.020 nan 8.300 nan 0.000 0.479 342 R N 0.773 121.245 120.500 -0.045 0.000 2.070 342 R HA -0.134 4.206 4.340 -0.001 0.000 0.233 342 R C 2.245 178.458 176.300 -0.146 0.000 1.137 342 R CA 1.913 57.940 56.100 -0.120 0.000 0.945 342 R CB -1.170 29.134 30.300 0.008 0.000 0.845 342 R HN 0.358 nan 8.270 nan 0.000 0.430 343 R N 0.705 121.174 120.500 -0.051 0.000 2.081 343 R HA -0.016 4.323 4.340 -0.001 0.000 0.235 343 R C 2.425 178.694 176.300 -0.051 0.000 1.131 343 R CA 1.407 57.492 56.100 -0.026 0.000 0.960 343 R CB -0.623 29.695 30.300 0.030 0.000 0.856 343 R HN 0.239 nan 8.270 nan 0.000 0.436 344 A N 1.554 124.344 122.820 -0.049 0.000 1.917 344 A HA -0.159 4.161 4.320 -0.001 0.000 0.219 344 A C 2.207 179.680 177.584 -0.184 0.000 1.182 344 A CA 1.342 53.348 52.037 -0.051 0.000 0.633 344 A CB -0.643 18.378 19.000 0.036 0.000 0.819 344 A HN 0.209 nan 8.150 nan 0.000 0.448 345 L N -0.841 120.164 121.223 -0.364 0.000 2.141 345 L HA -0.156 4.184 4.340 -0.001 0.000 0.209 345 L C 2.031 178.788 176.870 -0.189 0.000 1.094 345 L CA 1.266 55.899 54.840 -0.345 0.000 0.763 345 L CB -0.494 41.270 42.059 -0.493 0.000 0.908 345 L HN 0.481 nan 8.230 nan 0.000 0.437 346 E N -0.137 119.977 120.200 -0.144 0.000 2.512 346 E HA -0.090 4.260 4.350 -0.001 0.000 0.195 346 E C 0.773 177.337 176.600 -0.059 0.000 1.083 346 E CA 0.221 56.571 56.400 -0.084 0.000 0.873 346 E CB 0.223 29.886 29.700 -0.061 0.000 0.897 346 E HN 0.443 nan 8.360 nan 0.000 0.514 347 E N 0.113 120.275 120.200 -0.064 0.000 2.676 347 E HA 0.077 4.427 4.350 -0.001 0.000 0.222 347 E C -0.344 176.226 176.600 -0.049 0.000 0.968 347 E CA -0.208 56.170 56.400 -0.037 0.000 1.090 347 E CB 0.573 30.268 29.700 -0.009 0.000 1.066 347 E HN 0.078 nan 8.360 nan 0.000 0.496 348 N N 0.708 119.361 118.700 -0.079 0.000 2.747 348 N HA -0.154 4.586 4.740 -0.001 0.000 0.249 348 N C -0.771 174.675 175.510 -0.107 0.000 1.107 348 N CA 0.846 53.841 53.050 -0.090 0.000 0.707 348 N CB -1.420 37.026 38.487 -0.068 0.000 1.054 348 N HN 0.206 nan 8.380 nan 0.000 0.555 349 V N -1.119 118.730 119.914 -0.109 0.000 2.487 349 V HA 0.872 4.992 4.120 -0.001 0.000 0.298 349 V C -0.405 175.622 176.094 -0.111 0.000 1.028 349 V CA -0.242 61.988 62.300 -0.115 0.000 0.860 349 V CB 1.686 33.489 31.823 -0.032 0.000 0.991 349 V HN 0.305 nan 8.190 nan 0.000 0.427 350 A N 6.610 129.374 122.820 -0.094 0.000 2.340 350 A HA 1.015 5.334 4.320 -0.001 0.000 0.331 350 A C -0.794 176.938 177.584 0.247 0.000 1.140 350 A CA -0.534 51.479 52.037 -0.039 0.000 0.801 350 A CB 1.139 20.141 19.000 0.003 0.000 1.234 350 A HN 1.544 nan 8.150 nan 0.000 0.469 351 F N -0.351 119.831 119.950 0.386 0.000 2.790 351 F HA 0.794 5.320 4.527 -0.000 0.000 0.337 351 F C -0.968 175.055 175.800 0.371 0.000 1.163 351 F CA -1.386 56.844 58.000 0.384 0.000 0.997 351 F CB 1.174 40.377 39.000 0.338 0.000 1.437 351 F HN 0.269 nan 8.300 nan 0.000 0.512 352 V N 1.596 121.885 119.914 0.624 0.000 2.347 352 V HA 0.413 4.533 4.120 -0.001 0.000 0.280 352 V C -2.419 173.983 176.094 0.513 0.000 1.021 352 V CA -2.043 60.499 62.300 0.404 0.000 0.847 352 V CB 0.889 32.984 31.823 0.453 0.000 0.990 352 V HN 0.515 nan 8.190 nan 0.000 0.444 353 P HA 0.090 nan 4.420 nan 0.000 0.267 353 P C 1.091 178.602 177.300 0.351 0.000 1.200 353 P CA 0.307 63.584 63.100 0.294 0.000 0.772 353 P CB 0.780 32.520 31.700 0.067 0.000 0.855 354 G N 2.366 111.369 108.800 0.338 0.000 2.448 354 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.218 354 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.218 354 G C 1.716 177.054 174.900 0.730 0.000 1.135 354 G CA 0.722 46.204 45.100 0.637 0.000 0.784 354 G HN 0.625 nan 8.290 nan 0.000 0.543 355 G N 2.028 111.058 108.800 0.382 0.000 2.649 355 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.220 355 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.220 355 G C 0.081 175.130 174.900 0.248 0.000 1.189 355 G CA 1.385 46.644 45.100 0.264 0.000 0.777 355 G HN 0.431 nan 8.290 nan 0.000 0.602 356 P HA -0.048 nan 4.420 nan 0.000 0.223 356 P C 1.067 178.185 177.300 -0.304 0.000 1.144 356 P CA 0.746 63.735 63.100 -0.185 0.000 0.783 356 P CB -0.178 31.297 31.700 -0.375 0.000 0.771 357 F N -3.063 116.907 119.950 0.034 0.000 2.789 357 F HA 0.160 4.686 4.527 -0.000 0.000 0.300 357 F C 0.769 176.393 175.800 -0.294 0.000 1.132 357 F CA 0.160 58.068 58.000 -0.155 0.000 1.404 357 F CB -0.488 38.384 39.000 -0.213 0.000 1.114 357 F HN -0.216 nan 8.300 nan 0.000 0.584 358 F N -0.264 119.726 119.950 0.065 0.000 2.308 358 F HA 0.461 4.987 4.527 -0.001 0.000 0.370 358 F C 1.173 176.902 175.800 -0.120 0.000 1.100 358 F CA -0.869 57.133 58.000 0.004 0.000 1.108 358 F CB 0.929 39.966 39.000 0.061 0.000 1.293 358 F HN -0.086 nan 8.300 nan 0.000 0.478 359 A N 2.949 125.693 122.820 -0.127 0.000 1.978 359 A HA -0.232 4.088 4.320 -0.001 0.000 0.220 359 A C 1.515 178.954 177.584 -0.240 0.000 1.170 359 A CA 1.888 53.669 52.037 -0.428 0.000 0.636 359 A CB -0.496 17.980 19.000 -0.873 0.000 0.810 359 A HN 0.847 nan 8.150 nan 0.000 0.448 360 N N -1.514 117.165 118.700 -0.036 0.000 2.214 360 N HA 0.412 5.152 4.740 -0.001 0.000 0.214 360 N C 0.440 175.978 175.510 0.047 0.000 1.132 360 N CA 0.257 53.328 53.050 0.035 0.000 0.856 360 N CB 0.767 39.303 38.487 0.081 0.000 1.020 360 N HN 0.661 nan 8.380 nan 0.000 0.509 361 G N -0.176 108.660 108.800 0.061 0.000 2.631 361 G HA2 0.264 4.223 3.960 -0.001 0.000 0.504 361 G HA3 0.264 4.223 3.960 -0.001 0.000 0.504 361 G C 0.069 174.963 174.900 -0.010 0.000 1.306 361 G CA -0.717 44.404 45.100 0.036 0.000 0.897 361 G HN 0.635 nan 8.290 nan 0.000 0.520 362 G N -1.596 107.139 108.800 -0.108 0.000 2.587 362 G HA2 0.503 4.463 3.960 -0.001 0.000 0.212 362 G HA3 0.503 4.463 3.960 -0.001 0.000 0.212 362 G C 1.678 176.245 174.900 -0.554 0.000 1.327 362 G CA 1.426 46.365 45.100 -0.269 0.000 0.898 362 G HN 3.185 nan 8.290 nan 0.000 0.551 363 G N -2.129 106.164 108.800 -0.845 0.000 2.273 363 G HA2 0.216 4.176 3.960 -0.001 0.000 0.280 363 G HA3 0.216 4.176 3.960 -0.001 0.000 0.280 363 G C 1.055 175.768 174.900 -0.312 0.000 1.047 363 G CA 1.844 46.342 45.100 -1.003 0.000 0.869 363 G HN 2.371 nan 8.290 nan 0.000 0.502 364 E N 0.427 120.509 120.200 -0.196 0.000 2.216 364 E HA -0.067 4.282 4.350 -0.001 0.000 0.192 364 E C 1.888 178.460 176.600 -0.047 0.000 0.988 364 E CA 1.355 57.708 56.400 -0.077 0.000 0.834 364 E CB -0.493 29.171 29.700 -0.060 0.000 0.772 364 E HN 0.914 nan 8.360 nan 0.000 0.479 365 N N 0.744 119.397 118.700 -0.077 0.000 2.270 365 N HA -0.018 4.722 4.740 -0.001 0.000 0.198 365 N C 0.539 175.972 175.510 -0.130 0.000 1.117 365 N CA 0.852 53.857 53.050 -0.074 0.000 0.845 365 N CB 0.127 38.574 38.487 -0.067 0.000 0.980 365 N HN 0.399 nan 8.380 nan 0.000 0.486 366 T N -0.531 113.932 114.554 -0.151 0.000 2.950 366 T HA 0.701 5.051 4.350 -0.001 0.000 0.288 366 T C -0.232 174.215 174.700 -0.422 0.000 1.035 366 T CA -0.824 61.046 62.100 -0.382 0.000 1.028 366 T CB 2.002 70.692 68.868 -0.296 0.000 1.109 366 T HN 0.145 nan 8.240 nan 0.000 0.514 367 L N -1.199 119.540 121.223 -0.806 0.000 2.582 367 L HA 0.649 4.989 4.340 -0.001 0.000 0.257 367 L C -1.184 175.399 176.870 -0.478 0.000 0.974 367 L CA -1.052 53.510 54.840 -0.463 0.000 0.851 367 L CB 1.727 43.577 42.059 -0.348 0.000 1.424 367 L HN 1.014 nan 8.230 nan 0.000 0.412 368 R N 1.830 122.324 120.500 -0.009 0.000 2.338 368 R HA 0.809 5.149 4.340 -0.001 0.000 0.317 368 R C -1.515 174.895 176.300 0.182 0.000 0.968 368 R CA -0.640 55.542 56.100 0.137 0.000 0.849 368 R CB 1.376 31.679 30.300 0.006 0.000 1.128 368 R HN 0.813 nan 8.270 nan 0.000 0.448 369 L N 2.709 124.030 121.223 0.164 0.000 2.313 369 L HA 0.355 4.694 4.340 -0.001 0.000 0.283 369 L C -0.128 176.900 176.870 0.264 0.000 1.013 369 L CA -0.515 54.432 54.840 0.178 0.000 0.816 369 L CB 1.991 44.007 42.059 -0.072 0.000 1.236 369 L HN 0.550 nan 8.230 nan 0.000 0.419 370 S N 1.628 117.540 115.700 0.353 0.000 2.437 370 S HA 0.382 4.852 4.470 -0.001 0.000 0.305 370 S C 0.088 174.815 174.600 0.211 0.000 1.109 370 S CA -0.577 57.754 58.200 0.218 0.000 1.099 370 S CB 0.613 64.033 63.200 0.366 0.000 1.004 370 S HN 0.495 nan 8.310 nan 0.000 0.475 371 Y N 3.058 123.466 120.300 0.179 0.000 2.485 371 Y HA 0.573 5.123 4.550 -0.000 0.000 0.260 371 Y C 1.563 177.576 175.900 0.188 0.000 1.173 371 Y CA -0.077 58.130 58.100 0.179 0.000 1.252 371 Y CB -0.826 37.671 38.460 0.062 0.000 1.123 371 Y HN 0.619 nan 8.280 nan 0.000 0.524 372 A N 0.705 123.606 122.820 0.135 0.000 1.933 372 A HA -0.116 4.203 4.320 -0.001 0.000 0.218 372 A C 2.038 179.755 177.584 0.223 0.000 1.175 372 A CA 2.275 54.486 52.037 0.290 0.000 0.628 372 A CB -0.962 18.135 19.000 0.163 0.000 0.814 372 A HN 0.471 nan 8.150 nan 0.000 0.444 373 T N -0.682 113.974 114.554 0.170 0.000 3.033 373 T HA 0.318 4.668 4.350 -0.001 0.000 0.248 373 T C 0.619 175.353 174.700 0.058 0.000 1.040 373 T CA 0.087 62.245 62.100 0.097 0.000 1.133 373 T CB -0.128 68.802 68.868 0.103 0.000 0.895 373 T HN 0.223 nan 8.240 nan 0.000 0.465 374 L N 2.002 123.286 121.223 0.100 0.000 2.357 374 L HA 0.463 4.803 4.340 -0.001 0.000 0.273 374 L C 0.336 177.239 176.870 0.055 0.000 1.080 374 L CA -0.884 53.998 54.840 0.070 0.000 0.803 374 L CB 0.763 42.881 42.059 0.098 0.000 1.174 374 L HN 0.082 nan 8.230 nan 0.000 0.443 375 D N 0.627 121.037 120.400 0.016 0.000 2.414 375 D HA 0.100 4.739 4.640 -0.001 0.000 0.251 375 D C 1.253 177.567 176.300 0.023 0.000 1.252 375 D CA -0.097 53.902 54.000 -0.002 0.000 0.999 375 D CB 0.822 41.608 40.800 -0.024 0.000 1.093 375 D HN 0.337 nan 8.370 nan 0.000 0.515 376 R N -0.135 120.366 120.500 0.001 0.000 2.094 376 R HA -0.148 4.191 4.340 -0.001 0.000 0.239 376 R C 1.817 178.135 176.300 0.030 0.000 1.137 376 R CA 1.166 57.270 56.100 0.008 0.000 0.943 376 R CB -0.290 30.003 30.300 -0.012 0.000 0.850 376 R HN 0.518 nan 8.270 nan 0.000 0.433 377 E N 0.040 120.253 120.200 0.022 0.000 2.106 377 E HA -0.085 4.265 4.350 -0.001 0.000 0.192 377 E C 2.097 178.723 176.600 0.043 0.000 0.984 377 E CA 1.248 57.664 56.400 0.027 0.000 0.806 377 E CB -0.306 29.402 29.700 0.013 0.000 0.750 377 E HN 0.478 nan 8.360 nan 0.000 0.458 378 G N 1.452 110.277 108.800 0.042 0.000 2.422 378 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.218 378 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.218 378 G C 1.628 176.600 174.900 0.120 0.000 1.146 378 G CA 0.549 45.677 45.100 0.047 0.000 0.769 378 G HN 0.176 nan 8.290 nan 0.000 0.547 379 I N 1.693 122.368 120.570 0.175 0.000 2.163 379 I HA -0.129 4.041 4.170 -0.001 0.000 0.240 379 I C 3.293 179.554 176.117 0.240 0.000 1.081 379 I CA 1.356 62.840 61.300 0.308 0.000 1.353 379 I CB -1.332 36.782 38.000 0.190 0.000 1.054 379 I HN 0.266 nan 8.210 nan 0.000 0.407 380 A N 0.570 123.464 122.820 0.124 0.000 1.908 380 A HA -0.255 4.064 4.320 -0.001 0.000 0.218 380 A C 2.267 179.910 177.584 0.098 0.000 1.181 380 A CA 2.099 54.187 52.037 0.086 0.000 0.627 380 A CB -0.581 18.448 19.000 0.049 0.000 0.818 380 A HN 0.422 nan 8.150 nan 0.000 0.445 381 E N 0.052 120.309 120.200 0.094 0.000 2.107 381 E HA -0.006 4.343 4.350 -0.001 0.000 0.191 381 E C 1.959 178.624 176.600 0.107 0.000 0.982 381 E CA 1.488 57.933 56.400 0.075 0.000 0.809 381 E CB -0.797 28.927 29.700 0.040 0.000 0.756 381 E HN 0.384 nan 8.360 nan 0.000 0.459 382 G N 0.015 108.921 108.800 0.177 0.000 2.404 382 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.215 382 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.215 382 G C 1.720 176.879 174.900 0.431 0.000 1.174 382 G CA 0.901 46.134 45.100 0.223 0.000 0.780 382 G HN 0.248 nan 8.290 nan 0.000 0.537 383 V N 1.143 121.311 119.914 0.423 0.000 2.407 383 V HA -0.169 3.950 4.120 -0.001 0.000 0.248 383 V C 2.796 178.952 176.094 0.103 0.000 1.055 383 V CA 2.170 64.573 62.300 0.172 0.000 1.049 383 V CB -0.450 31.367 31.823 -0.010 0.000 0.662 383 V HN 0.514 nan 8.190 nan 0.000 0.455 384 R N 0.498 121.056 120.500 0.096 0.000 2.081 384 R HA -0.163 4.176 4.340 -0.001 0.000 0.235 384 R C 2.428 178.767 176.300 0.066 0.000 1.131 384 R CA 1.702 57.839 56.100 0.061 0.000 0.960 384 R CB -0.319 30.010 30.300 0.049 0.000 0.856 384 R HN 0.392 nan 8.270 nan 0.000 0.436 385 R N 0.442 120.992 120.500 0.083 0.000 2.120 385 R HA -0.078 4.262 4.340 -0.001 0.000 0.234 385 R C 2.309 178.665 176.300 0.094 0.000 1.123 385 R CA 1.203 57.346 56.100 0.072 0.000 0.975 385 R CB -0.402 29.933 30.300 0.058 0.000 0.866 385 R HN 0.305 nan 8.270 nan 0.000 0.446 386 L N 0.332 121.639 121.223 0.141 0.000 2.156 386 L HA -0.012 4.328 4.340 -0.001 0.000 0.208 386 L C 1.948 178.861 176.870 0.072 0.000 1.095 386 L CA 1.674 56.601 54.840 0.145 0.000 0.770 386 L CB -0.989 41.191 42.059 0.202 0.000 0.914 386 L HN 0.248 nan 8.230 nan 0.000 0.439 387 G N 0.049 108.878 108.800 0.049 0.000 2.418 387 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.217 387 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.217 387 G C 1.653 176.571 174.900 0.031 0.000 1.158 387 G CA 0.422 45.537 45.100 0.025 0.000 0.771 387 G HN 0.354 nan 8.290 nan 0.000 0.545 388 R N 0.586 121.108 120.500 0.037 0.000 2.096 388 R HA 0.014 4.354 4.340 -0.001 0.000 0.235 388 R C 2.989 179.310 176.300 0.036 0.000 1.127 388 R CA 1.129 57.248 56.100 0.032 0.000 0.968 388 R CB -0.390 29.928 30.300 0.029 0.000 0.861 388 R HN 0.360 nan 8.270 nan 0.000 0.440 389 A N 1.345 124.195 122.820 0.050 0.000 1.855 389 A HA -0.109 4.211 4.320 -0.001 0.000 0.215 389 A C 2.202 179.819 177.584 0.055 0.000 1.191 389 A CA 1.028 53.101 52.037 0.060 0.000 0.613 389 A CB -0.536 18.520 19.000 0.095 0.000 0.829 389 A HN 0.177 nan 8.150 nan 0.000 0.442 390 L N -0.801 120.451 121.223 0.048 0.000 2.093 390 L HA -0.159 4.181 4.340 -0.001 0.000 0.208 390 L C 2.626 179.511 176.870 0.025 0.000 1.085 390 L CA 1.240 56.099 54.840 0.032 0.000 0.755 390 L CB -0.256 41.809 42.059 0.010 0.000 0.904 390 L HN 0.278 nan 8.230 nan 0.000 0.435 391 K N -0.116 120.299 120.400 0.024 0.000 2.097 391 K HA -0.107 4.213 4.320 -0.001 0.000 0.206 391 K C 1.995 178.607 176.600 0.020 0.000 1.049 391 K CA 1.353 57.653 56.287 0.020 0.000 0.933 391 K CB -0.533 31.978 32.500 0.019 0.000 0.717 391 K HN 0.398 nan 8.250 nan 0.000 0.442 392 G N 1.348 110.161 108.800 0.023 0.000 2.432 392 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.219 392 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.219 392 G C 1.493 176.406 174.900 0.022 0.000 1.135 392 G CA 0.515 45.627 45.100 0.021 0.000 0.767 392 G HN 0.240 nan 8.290 nan 0.000 0.550 393 L N -0.274 120.965 121.223 0.027 0.000 2.095 393 L HA 0.311 4.651 4.340 -0.001 0.000 0.204 393 L C 2.362 179.244 176.870 0.021 0.000 1.080 393 L CA 1.222 56.079 54.840 0.028 0.000 0.759 393 L CB -0.348 41.733 42.059 0.038 0.000 0.914 393 L HN 0.110 nan 8.230 nan 0.000 0.439 394 L N 0.100 121.334 121.223 0.018 0.000 2.395 394 L HA 0.172 4.512 4.340 -0.001 0.000 0.218 394 L C 1.577 178.454 176.870 0.012 0.000 1.130 394 L CA 0.640 55.488 54.840 0.013 0.000 0.826 394 L CB -1.006 41.060 42.059 0.012 0.000 0.941 394 L HN 0.290 nan 8.230 nan 0.000 0.451 395 A N 0.000 122.828 122.820 0.013 0.000 2.254 395 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 395 A CA 0.000 52.044 52.037 0.011 0.000 0.836 395 A CB 0.000 19.007 19.000 0.012 0.000 0.831 395 A HN 0.000 nan 8.150 nan 0.000 0.486