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 1b3r_1_B DATA FIRST_RESID 4 DATA SEQUENCE LPYKVADIGL AAWGRKALDI AENEMPGLMR MREMYSASKP LKGARIAGCL DATA SEQUENCE HMTVETAVLI ETLVALGAEV RWSSCNIFST QDHAAAAIAK AGIPVFAWKG DATA SEQUENCE ETDEEYLWCI EQTLHFKDGP LNMILDDGGD LTNLIHTKHP QLLSGIRGIS DATA SEQUENCE EETTTGVHNL YKMMANGILK VPAINVNDSV TKSKFDNLYG CRESLIDGIK DATA SEQUENCE RATDVMIAGK VAVVAGYGDV GKGCAQALRG FGARVIITEI DPINALQAAM DATA SEQUENCE EGYEVTTMDE ACKEGNIFVT TTGCVDIILG RHFEQMKDDA IVCNIGHFDV DATA SEQUENCE EIDVKWLNEN AVEKVNIKPQ VDRYLLKNGH RIILLAEGRL VNLGCAMGHP DATA SEQUENCE SFVMSNSFTN QVMAQIELWT HPDKYPVGVH FLPKKLDEAV AEAHLGKLNV DATA SEQUENCE KLTKLTEKQA QYLGMPINGP FKPDHYRY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.924 176.870 0.090 0.000 1.165 4 L CA 0.000 54.940 54.840 0.167 0.000 0.813 4 L CB 0.000 42.261 42.059 0.337 0.000 0.961 5 P HA -0.027 nan 4.420 nan 0.000 0.227 5 P C -1.752 175.353 177.300 -0.325 0.000 1.161 5 P CA 1.047 63.978 63.100 -0.282 0.000 0.788 5 P CB 0.696 32.081 31.700 -0.526 0.000 0.822 6 Y N -7.990 112.171 120.300 -0.233 0.000 3.097 6 Y HA 0.054 nan 4.550 nan 0.000 0.410 6 Y C -2.033 173.743 175.900 -0.206 0.000 1.266 6 Y CA -1.621 56.055 58.100 -0.706 0.000 1.136 6 Y CB 0.198 38.380 38.460 -0.463 0.000 2.262 6 Y HN -0.883 7.088 8.280 -0.473 0.026 0.408 7 K N 1.405 121.960 120.400 0.258 0.000 2.793 7 K HA 0.281 nan 4.320 nan 0.000 0.269 7 K C -2.339 174.509 176.600 0.415 0.000 1.124 7 K CA 0.423 56.961 56.287 0.418 0.000 1.074 7 K CB 2.389 35.270 32.500 0.637 0.000 1.322 7 K HN 0.515 8.796 8.250 0.052 0.000 0.532 8 V N 1.971 122.057 119.914 0.286 0.000 2.966 8 V HA 0.408 nan 4.120 nan 0.000 0.317 8 V C -0.004 176.172 176.094 0.136 0.000 1.070 8 V CA -1.897 60.541 62.300 0.231 0.000 1.008 8 V CB 1.825 33.702 31.823 0.089 0.000 1.070 8 V HN 0.014 8.396 8.190 0.320 0.000 0.457 9 A N 2.756 125.684 122.820 0.180 0.000 1.897 9 A HA -0.125 nan 4.320 nan 0.000 0.215 9 A C -0.626 177.000 177.584 0.071 0.000 1.181 9 A CA 2.254 54.346 52.037 0.091 0.000 0.620 9 A CB 0.598 19.717 19.000 0.200 0.000 0.821 9 A HN 0.127 8.604 8.150 0.272 -0.164 0.443 10 D N -3.018 117.445 120.400 0.105 0.000 2.319 10 D HA 0.078 nan 4.640 nan 0.000 0.237 10 D C -0.186 176.169 176.300 0.091 0.000 1.353 10 D CA -0.762 53.295 54.000 0.095 0.000 0.992 10 D CB 1.447 42.318 40.800 0.117 0.000 1.368 10 D HN -0.596 7.851 8.370 0.129 0.000 0.564 11 I N 6.166 126.776 120.570 0.065 0.000 2.567 11 I HA -0.190 nan 4.170 nan 0.000 0.257 11 I C 0.833 176.979 176.117 0.049 0.000 1.184 11 I CA 1.060 62.376 61.300 0.027 0.000 1.451 11 I CB 0.501 38.514 38.000 0.023 0.000 1.089 11 I HN 0.386 8.639 8.210 0.072 0.000 0.441 12 G N -0.072 108.770 108.800 0.070 0.000 2.462 12 G HA2 -0.259 nan 3.960 nan 0.000 0.220 12 G HA3 -0.259 nan 3.960 nan 0.000 0.220 12 G C 1.022 175.994 174.900 0.119 0.000 1.121 12 G CA 1.995 47.141 45.100 0.076 0.000 0.758 12 G HN -0.049 8.417 8.290 0.070 -0.135 0.559 13 L N 0.471 121.795 121.223 0.168 0.000 2.622 13 L HA -0.020 nan 4.340 nan 0.000 0.233 13 L C 0.941 177.967 176.870 0.260 0.000 1.156 13 L CA -0.666 54.355 54.840 0.302 0.000 0.866 13 L CB -1.337 40.952 42.059 0.382 0.000 0.980 13 L HN -0.321 7.932 8.230 0.146 0.064 0.448 14 A N -0.082 122.815 122.820 0.127 0.000 1.978 14 A HA -0.340 nan 4.320 nan 0.000 0.220 14 A C 1.322 178.952 177.584 0.076 0.000 1.170 14 A CA 3.203 55.272 52.037 0.054 0.000 0.636 14 A CB -0.986 18.009 19.000 -0.009 0.000 0.810 14 A HN 0.202 8.205 8.150 0.100 0.207 0.448 15 A N -1.999 120.895 122.820 0.124 0.000 1.929 15 A HA -0.169 nan 4.320 nan 0.000 0.216 15 A C 1.220 178.934 177.584 0.215 0.000 1.176 15 A CA 2.691 54.804 52.037 0.126 0.000 0.628 15 A CB -0.788 18.276 19.000 0.106 0.000 0.816 15 A HN -0.354 7.876 8.150 0.133 0.000 0.444 16 W N -0.025 121.315 121.300 0.066 0.000 2.338 16 W HA -0.307 nan 4.660 nan 0.000 0.304 16 W C 1.752 178.395 176.519 0.207 0.000 1.212 16 W CA 1.266 58.675 57.345 0.107 0.000 1.264 16 W CB -0.387 29.125 29.460 0.087 0.000 1.142 16 W HN -0.708 7.710 8.180 0.397 0.000 0.512 17 G N -1.863 107.012 108.800 0.126 0.000 2.511 17 G HA2 -0.556 nan 3.960 nan 0.000 0.216 17 G HA3 -0.556 nan 3.960 nan 0.000 0.216 17 G C 0.793 175.620 174.900 -0.121 0.000 1.218 17 G CA 1.881 46.867 45.100 -0.189 0.000 0.788 17 G HN -0.258 8.154 8.290 0.203 0.000 0.560 18 R N 1.639 122.109 120.500 -0.050 0.000 2.133 18 R HA -0.368 nan 4.340 nan 0.000 0.247 18 R C 2.201 178.501 176.300 -0.001 0.000 1.151 18 R CA 2.628 58.706 56.100 -0.037 0.000 0.971 18 R CB -0.587 29.707 30.300 -0.011 0.000 0.866 18 R HN -0.535 7.721 8.270 -0.024 0.000 0.447 19 K N -1.589 118.846 120.400 0.058 0.000 2.057 19 K HA -0.290 nan 4.320 nan 0.000 0.207 19 K C 2.227 178.868 176.600 0.068 0.000 1.049 19 K CA 3.029 59.368 56.287 0.087 0.000 0.931 19 K CB -0.308 32.289 32.500 0.162 0.000 0.714 19 K HN -0.585 7.700 8.250 0.092 0.020 0.440 20 A N -0.317 122.533 122.820 0.051 0.000 1.897 20 A HA -0.162 nan 4.320 nan 0.000 0.215 20 A C 2.066 179.632 177.584 -0.029 0.000 1.181 20 A CA 2.777 54.830 52.037 0.025 0.000 0.620 20 A CB -0.836 18.165 19.000 0.002 0.000 0.821 20 A HN -0.156 7.926 8.150 0.050 0.098 0.443 21 L N -1.779 119.394 121.223 -0.083 0.000 2.013 21 L HA -0.556 nan 4.340 nan 0.000 0.212 21 L C 2.190 179.037 176.870 -0.039 0.000 1.073 21 L CA 3.278 58.068 54.840 -0.084 0.000 0.753 21 L CB -0.626 41.366 42.059 -0.111 0.000 0.890 21 L HN 0.334 8.497 8.230 -0.112 0.000 0.432 22 D N -2.212 118.175 120.400 -0.021 0.000 2.218 22 D HA -0.201 nan 4.640 nan 0.000 0.204 22 D C 2.351 178.656 176.300 0.009 0.000 0.976 22 D CA 3.748 57.745 54.000 -0.006 0.000 0.853 22 D CB -0.312 40.489 40.800 0.002 0.000 0.939 22 D HN -0.070 8.288 8.370 -0.021 0.000 0.481 23 I N -0.962 119.620 120.570 0.019 0.000 2.406 23 I HA -0.327 nan 4.170 nan 0.000 0.249 23 I C 1.236 177.371 176.117 0.030 0.000 1.122 23 I CA 2.510 63.828 61.300 0.031 0.000 1.431 23 I CB -0.031 37.997 38.000 0.047 0.000 1.087 23 I HN -0.737 7.348 8.210 0.019 0.136 0.424 24 A N -0.294 122.540 122.820 0.023 0.000 1.933 24 A HA -0.304 nan 4.320 nan 0.000 0.218 24 A C 2.219 179.817 177.584 0.024 0.000 1.175 24 A CA 2.973 55.027 52.037 0.028 0.000 0.628 24 A CB -0.844 18.165 19.000 0.016 0.000 0.814 24 A HN -0.070 8.088 8.150 0.013 0.000 0.444 25 E N -2.133 118.071 120.200 0.007 0.000 2.147 25 E HA -0.464 nan 4.350 nan 0.000 0.199 25 E C 2.784 179.389 176.600 0.008 0.000 1.005 25 E CA 3.093 59.493 56.400 -0.001 0.000 0.810 25 E CB -0.585 29.109 29.700 -0.011 0.000 0.736 25 E HN 0.047 8.396 8.360 -0.000 0.011 0.460 26 N N -1.030 117.682 118.700 0.019 0.000 2.084 26 N HA -0.241 nan 4.740 nan 0.000 0.190 26 N C 1.577 177.119 175.510 0.054 0.000 1.030 26 N CA 2.399 55.465 53.050 0.027 0.000 0.849 26 N CB 0.188 38.691 38.487 0.026 0.000 1.012 26 N HN -0.565 7.814 8.380 0.019 0.013 0.423 27 E N -3.460 116.785 120.200 0.076 0.000 2.494 27 E HA -0.117 nan 4.350 nan 0.000 0.193 27 E C -0.655 176.046 176.600 0.168 0.000 1.074 27 E CA -0.277 56.213 56.400 0.149 0.000 0.867 27 E CB -0.001 29.785 29.700 0.143 0.000 0.924 27 E HN -0.511 7.803 8.360 0.061 0.083 0.502 28 M N -0.355 119.279 119.600 0.056 0.000 2.746 28 M HA 0.482 nan 4.480 nan 0.000 0.209 28 M C -2.451 173.786 176.300 -0.105 0.000 1.077 28 M CA -2.396 52.886 55.300 -0.031 0.000 0.695 28 M CB 0.914 33.506 32.600 -0.012 0.000 1.416 28 M HN -0.747 7.364 8.290 0.039 0.202 0.459 29 P HA -0.113 nan 4.420 nan 0.000 0.219 29 P C 1.013 178.108 177.300 -0.341 0.000 1.146 29 P CA 2.838 65.813 63.100 -0.208 0.000 0.808 29 P CB 0.150 31.753 31.700 -0.162 0.000 0.779 30 G N -1.120 107.317 108.800 -0.604 0.000 2.484 30 G HA2 -0.322 nan 3.960 nan 0.000 0.215 30 G HA3 -0.322 nan 3.960 nan 0.000 0.215 30 G C 1.165 175.988 174.900 -0.130 0.000 1.219 30 G CA 2.006 46.846 45.100 -0.434 0.000 0.791 30 G HN -0.261 7.549 8.290 -0.747 0.031 0.550 31 L N 0.920 122.100 121.223 -0.072 0.000 2.127 31 L HA -0.357 nan 4.340 nan 0.000 0.211 31 L C 2.381 179.241 176.870 -0.017 0.000 1.089 31 L CA 2.692 57.525 54.840 -0.013 0.000 0.757 31 L CB -0.295 41.768 42.059 0.007 0.000 0.899 31 L HN -0.729 7.448 8.230 -0.088 0.000 0.434 32 M N -3.029 116.544 119.600 -0.045 0.000 2.254 32 M HA -0.244 nan 4.480 nan 0.000 0.265 32 M C 2.406 178.692 176.300 -0.024 0.000 1.066 32 M CA 1.518 56.798 55.300 -0.033 0.000 1.123 32 M CB -1.473 31.102 32.600 -0.041 0.000 1.388 32 M HN -0.715 7.508 8.290 -0.075 0.022 0.425 33 R N 0.423 120.900 120.500 -0.038 0.000 2.153 33 R HA -0.217 nan 4.340 nan 0.000 0.218 33 R C 2.460 178.778 176.300 0.029 0.000 1.072 33 R CA 3.235 59.321 56.100 -0.024 0.000 0.990 33 R CB 0.022 30.297 30.300 -0.043 0.000 0.889 33 R HN -0.123 8.001 8.270 -0.072 0.102 0.452 34 M N -0.905 118.743 119.600 0.081 0.000 2.117 34 M HA -0.307 nan 4.480 nan 0.000 0.262 34 M C 2.351 178.788 176.300 0.228 0.000 1.065 34 M CA 2.111 57.548 55.300 0.229 0.000 1.114 34 M CB -1.284 31.409 32.600 0.156 0.000 1.361 34 M HN -0.108 8.108 8.290 0.038 0.097 0.408 35 R N -1.266 119.294 120.500 0.099 0.000 2.083 35 R HA -0.393 nan 4.340 nan 0.000 0.237 35 R C 2.203 178.529 176.300 0.043 0.000 1.137 35 R CA 3.923 60.064 56.100 0.068 0.000 0.951 35 R CB -0.308 30.006 30.300 0.022 0.000 0.851 35 R HN -0.199 8.035 8.270 0.060 0.072 0.434 36 E N -1.219 118.985 120.200 0.006 0.000 2.204 36 E HA -0.233 nan 4.350 nan 0.000 0.194 36 E C 1.952 178.506 176.600 -0.077 0.000 0.989 36 E CA 2.385 58.769 56.400 -0.027 0.000 0.824 36 E CB -0.593 29.087 29.700 -0.033 0.000 0.756 36 E HN -0.405 7.959 8.360 0.006 0.000 0.477 37 M N -2.954 116.564 119.600 -0.136 0.000 2.388 37 M HA -0.154 nan 4.480 nan 0.000 0.265 37 M C 1.222 177.189 176.300 -0.555 0.000 1.088 37 M CA 3.083 58.144 55.300 -0.399 0.000 1.134 37 M CB 1.406 33.631 32.600 -0.624 0.000 1.384 37 M HN -0.267 7.870 8.290 -0.066 0.113 0.447 38 Y N -6.790 113.513 120.300 0.006 0.000 2.471 38 Y HA 0.100 nan 4.550 nan 0.000 0.249 38 Y C 0.826 176.728 175.900 0.004 0.000 1.116 38 Y CA -0.914 57.192 58.100 0.009 0.000 1.240 38 Y CB 1.762 40.230 38.460 0.014 0.000 1.251 38 Y HN -0.055 8.271 8.280 0.077 0.000 0.527 39 S N 2.108 117.879 115.700 0.118 0.000 3.544 39 S HA -0.085 nan 4.470 nan 0.000 0.227 39 S C -0.603 174.024 174.600 0.046 0.000 1.387 39 S CA 0.741 58.983 58.200 0.070 0.000 1.182 39 S CB -2.329 60.895 63.200 0.040 0.000 1.243 39 S HN 0.272 8.636 8.310 0.089 0.000 0.467 40 A N 1.583 124.438 122.820 0.058 0.000 1.472 40 A HA 0.174 nan 4.320 nan 0.000 0.214 40 A C 0.270 177.887 177.584 0.054 0.000 1.836 40 A CA 1.094 53.154 52.037 0.039 0.000 1.436 40 A CB 0.217 19.228 19.000 0.018 0.000 1.362 40 A HN -0.095 8.067 8.150 0.091 0.042 0.359 41 S N -0.255 115.494 115.700 0.081 0.000 2.453 41 S HA -0.201 nan 4.470 nan 0.000 0.231 41 S C 1.127 175.789 174.600 0.104 0.000 1.005 41 S CA 0.980 59.240 58.200 0.100 0.000 0.949 41 S CB 0.210 63.502 63.200 0.154 0.000 0.774 41 S HN -0.170 8.193 8.310 0.089 0.000 0.510 42 K N -0.371 120.094 120.400 0.108 0.000 3.490 42 K HA -0.187 nan 4.320 nan 0.000 0.273 42 K C -0.725 175.921 176.600 0.077 0.000 0.916 42 K CA 0.206 56.538 56.287 0.075 0.000 0.718 42 K CB -1.797 30.733 32.500 0.050 0.000 1.477 42 K HN -0.107 8.264 8.250 0.124 -0.046 0.452 43 P HA -0.172 nan 4.420 nan 0.000 0.221 43 P C -0.592 176.780 177.300 0.119 0.000 1.145 43 P CA 2.225 65.373 63.100 0.081 0.000 0.795 43 P CB -0.024 31.668 31.700 -0.013 0.000 0.775 44 L N -4.539 116.681 121.223 -0.004 0.000 2.653 44 L HA 0.121 nan 4.340 nan 0.000 0.231 44 L C -0.020 176.729 176.870 -0.202 0.000 1.153 44 L CA -0.755 53.971 54.840 -0.190 0.000 0.933 44 L CB -0.295 41.608 42.059 -0.261 0.000 1.175 44 L HN -0.214 7.955 8.230 -0.025 0.045 0.473 45 K N 0.691 121.101 120.400 0.017 0.000 2.430 45 K HA -0.333 nan 4.320 nan 0.000 0.280 45 K C 0.843 177.521 176.600 0.129 0.000 1.063 45 K CA 1.603 57.916 56.287 0.043 0.000 1.071 45 K CB -0.880 31.673 32.500 0.088 0.000 0.899 45 K HN -0.378 7.736 8.250 0.075 0.181 0.473 46 G N 3.755 112.547 108.800 -0.014 0.000 2.376 46 G HA2 -0.374 nan 3.960 nan 0.000 0.208 46 G HA3 -0.374 nan 3.960 nan 0.000 0.208 46 G C -1.476 173.201 174.900 -0.371 0.000 1.032 46 G CA -0.232 44.912 45.100 0.073 0.000 0.641 46 G HN -0.029 8.204 8.290 -0.095 0.000 0.503 47 A N 2.565 124.708 122.820 -1.129 0.000 2.531 47 A HA -0.171 nan 4.320 nan 0.000 0.236 47 A C -0.808 176.293 177.584 -0.806 0.000 1.062 47 A CA 0.745 51.845 52.037 -1.561 0.000 0.760 47 A CB 0.492 18.513 19.000 -1.632 0.000 0.995 47 A HN -0.278 7.090 8.150 -1.011 0.176 0.501 48 R N 2.473 122.491 120.500 -0.804 0.000 2.494 48 R HA 0.446 nan 4.340 nan 0.000 0.284 48 R C -0.955 174.853 176.300 -0.820 0.000 1.525 48 R CA -1.592 53.831 56.100 -1.129 0.000 1.460 48 R CB 0.679 30.054 30.300 -1.543 0.000 1.134 48 R HN 0.897 9.142 8.270 -0.784 -0.445 0.592 49 I N 3.422 123.771 120.570 -0.369 0.000 2.452 49 I HA 0.005 nan 4.170 nan 0.000 0.287 49 I C -1.852 174.332 176.117 0.111 0.000 1.079 49 I CA 0.150 61.377 61.300 -0.122 0.000 1.387 49 I CB 0.311 38.266 38.000 -0.075 0.000 1.404 49 I HN 0.655 8.670 8.210 -0.326 0.000 0.522 50 A N 8.210 131.031 122.820 0.002 0.000 2.290 50 A HA 0.781 nan 4.320 nan 0.000 0.310 50 A C -1.605 175.744 177.584 -0.392 0.000 1.202 50 A CA -1.520 50.467 52.037 -0.084 0.000 0.837 50 A CB 1.512 20.445 19.000 -0.113 0.000 1.139 50 A HN 0.037 8.140 8.150 -0.078 0.000 0.509 51 G N 0.206 108.547 108.800 -0.765 0.000 2.590 51 G HA2 0.497 nan 3.960 nan 0.000 0.310 51 G HA3 0.497 nan 3.960 nan 0.000 0.310 51 G C -2.914 171.139 174.900 -1.411 0.000 1.347 51 G CA -0.977 43.205 45.100 -1.531 0.000 0.963 51 G HN 0.202 8.130 8.290 -0.605 0.000 0.494 52 C N 7.289 126.091 119.300 -0.830 0.000 2.357 52 C HA 0.844 nan 4.460 nan 0.000 0.300 52 C C -2.029 172.841 174.990 -0.200 0.000 1.074 52 C CA -1.735 57.005 59.018 -0.462 0.000 1.566 52 C CB -1.025 26.548 27.740 -0.279 0.000 1.791 52 C HN 0.465 8.297 8.230 -0.664 0.000 0.415 53 L N 4.846 126.059 121.223 -0.017 0.000 2.482 53 L HA 0.434 nan 4.340 nan 0.000 0.263 53 L C -1.345 175.820 176.870 0.492 0.000 0.957 53 L CA -1.142 53.916 54.840 0.363 0.000 0.836 53 L CB 4.912 47.234 42.059 0.438 0.000 1.324 53 L HN 0.646 8.783 8.230 -0.155 0.000 0.406 54 H N 4.511 123.700 119.070 0.200 0.000 3.237 54 H HA -0.253 nan 4.556 nan 0.000 0.263 54 H C -0.612 174.798 175.328 0.138 0.000 0.854 54 H CA 1.331 57.475 56.048 0.161 0.000 1.416 54 H CB -0.640 29.217 29.762 0.158 0.000 1.432 54 H HN 0.218 9.150 8.280 1.087 0.000 0.529 55 M N 6.446 126.169 119.600 0.206 0.000 2.821 55 M HA 0.005 nan 4.480 nan 0.000 0.305 55 M C -1.483 174.837 176.300 0.033 0.000 1.466 55 M CA -1.197 54.152 55.300 0.082 0.000 1.526 55 M CB -1.003 31.640 32.600 0.072 0.000 1.321 55 M HN 0.299 8.692 8.290 0.172 0.000 0.492 56 T N 0.610 115.172 114.554 0.013 0.000 2.883 56 T HA 0.574 nan 4.350 nan 0.000 0.284 56 T C 0.390 175.033 174.700 -0.096 0.000 1.041 56 T CA -1.996 60.101 62.100 -0.005 0.000 1.007 56 T CB 3.468 72.389 68.868 0.088 0.000 1.220 56 T HN -0.238 8.006 8.240 0.007 0.000 0.552 57 V N 1.250 121.092 119.914 -0.120 0.000 2.287 57 V HA -0.459 nan 4.120 nan 0.000 0.248 57 V C 1.795 177.844 176.094 -0.075 0.000 1.053 57 V CA 5.170 67.374 62.300 -0.161 0.000 1.027 57 V CB -0.862 30.866 31.823 -0.158 0.000 0.646 57 V HN 0.938 9.490 8.190 -0.089 -0.415 0.447 58 E N -2.058 118.165 120.200 0.039 0.000 2.051 58 E HA -0.385 nan 4.350 nan 0.000 0.192 58 E C 2.571 179.245 176.600 0.122 0.000 0.991 58 E CA 3.575 60.074 56.400 0.165 0.000 0.799 58 E CB -0.745 29.147 29.700 0.320 0.000 0.748 58 E HN 0.281 8.676 8.360 0.057 0.000 0.449 59 T N 2.510 117.062 114.554 -0.004 0.000 2.759 59 T HA -0.285 nan 4.350 nan 0.000 0.269 59 T C 1.654 176.063 174.700 -0.484 0.000 1.042 59 T CA 4.721 66.561 62.100 -0.433 0.000 1.140 59 T CB -0.769 67.899 68.868 -0.333 0.000 0.864 59 T HN -0.658 7.641 8.240 0.098 0.000 0.455 60 A N 0.797 123.412 122.820 -0.343 0.000 1.933 60 A HA -0.179 nan 4.320 nan 0.000 0.218 60 A C 1.746 179.158 177.584 -0.286 0.000 1.175 60 A CA 3.303 55.126 52.037 -0.357 0.000 0.628 60 A CB -0.843 17.988 19.000 -0.282 0.000 0.814 60 A HN 0.142 8.048 8.150 -0.241 0.099 0.444 61 V N -0.558 119.243 119.914 -0.189 0.000 2.515 61 V HA -0.352 nan 4.120 nan 0.000 0.250 61 V C 1.763 177.771 176.094 -0.143 0.000 1.058 61 V CA 3.527 65.752 62.300 -0.125 0.000 1.064 61 V CB -1.141 30.654 31.823 -0.048 0.000 0.675 61 V HN -0.138 7.868 8.190 -0.153 0.093 0.461 62 L N 0.382 121.483 121.223 -0.203 0.000 1.973 62 L HA -0.304 nan 4.340 nan 0.000 0.208 62 L C 1.426 178.113 176.870 -0.305 0.000 1.073 62 L CA 3.338 58.038 54.840 -0.233 0.000 0.746 62 L CB -0.284 41.522 42.059 -0.421 0.000 0.891 62 L HN -0.290 7.689 8.230 -0.223 0.117 0.433 63 I N -1.404 118.847 120.570 -0.533 0.000 2.113 63 I HA -0.760 nan 4.170 nan 0.000 0.242 63 I C 2.014 177.964 176.117 -0.279 0.000 1.057 63 I CA 4.520 65.481 61.300 -0.564 0.000 1.314 63 I CB -0.510 37.029 38.000 -0.768 0.000 1.022 63 I HN 0.383 8.091 8.210 -0.660 0.106 0.408 64 E N -2.635 117.425 120.200 -0.234 0.000 2.265 64 E HA -0.361 nan 4.350 nan 0.000 0.196 64 E C 2.844 179.384 176.600 -0.099 0.000 0.996 64 E CA 3.082 59.395 56.400 -0.144 0.000 0.832 64 E CB -0.503 29.120 29.700 -0.129 0.000 0.756 64 E HN -0.247 7.949 8.360 -0.272 0.000 0.491 65 T N 2.994 117.488 114.554 -0.100 0.000 2.812 65 T HA -0.189 nan 4.350 nan 0.000 0.264 65 T C 1.882 176.550 174.700 -0.054 0.000 1.042 65 T CA 4.184 66.250 62.100 -0.057 0.000 1.140 65 T CB -0.563 68.280 68.868 -0.042 0.000 0.870 65 T HN 0.052 8.075 8.240 -0.131 0.138 0.445 66 L N 0.554 121.733 121.223 -0.074 0.000 1.989 66 L HA -0.423 nan 4.340 nan 0.000 0.211 66 L C 1.828 178.661 176.870 -0.063 0.000 1.071 66 L CA 3.601 58.402 54.840 -0.064 0.000 0.749 66 L CB -0.548 41.490 42.059 -0.035 0.000 0.890 66 L HN -0.292 7.803 8.230 -0.101 0.074 0.431 67 V N -2.072 117.807 119.914 -0.059 0.000 2.392 67 V HA -0.436 nan 4.120 nan 0.000 0.249 67 V C 2.265 178.336 176.094 -0.037 0.000 1.059 67 V CA 4.065 66.337 62.300 -0.046 0.000 1.051 67 V CB -1.129 30.665 31.823 -0.049 0.000 0.658 67 V HN 0.164 8.309 8.190 -0.076 0.000 0.455 68 A N -0.890 121.909 122.820 -0.035 0.000 2.066 68 A HA -0.072 nan 4.320 nan 0.000 0.218 68 A C 0.739 178.324 177.584 0.002 0.000 1.157 68 A CA 2.585 54.613 52.037 -0.015 0.000 0.670 68 A CB -0.185 18.808 19.000 -0.012 0.000 0.804 68 A HN -0.165 7.742 8.150 -0.046 0.216 0.453 69 L N -3.972 117.245 121.223 -0.010 0.000 2.685 69 L HA 0.116 nan 4.340 nan 0.000 0.233 69 L C -0.397 176.462 176.870 -0.019 0.000 1.173 69 L CA -1.121 53.721 54.840 0.003 0.000 0.961 69 L CB -0.398 41.645 42.059 -0.027 0.000 1.217 69 L HN -0.570 7.473 8.230 -0.030 0.169 0.478 70 G N -2.745 106.037 108.800 -0.029 0.000 2.176 70 G HA2 -0.404 nan 3.960 nan 0.000 0.232 70 G HA3 -0.404 nan 3.960 nan 0.000 0.232 70 G C -1.390 173.454 174.900 -0.093 0.000 0.986 70 G CA 0.002 45.078 45.100 -0.039 0.000 0.643 70 G HN -0.462 7.733 8.290 -0.025 0.080 0.522 71 A N 0.388 123.135 122.820 -0.122 0.000 2.388 71 A HA 0.192 nan 4.320 nan 0.000 0.257 71 A C -1.071 176.451 177.584 -0.104 0.000 1.095 71 A CA -0.558 51.372 52.037 -0.179 0.000 0.791 71 A CB 0.559 19.451 19.000 -0.179 0.000 1.029 71 A HN -0.521 7.517 8.150 -0.097 0.053 0.489 72 E N 3.399 123.520 120.200 -0.132 0.000 2.197 72 E HA 0.258 nan 4.350 nan 0.000 0.281 72 E C -1.705 174.963 176.600 0.113 0.000 0.995 72 E CA -0.878 55.523 56.400 0.002 0.000 0.808 72 E CB 2.285 31.953 29.700 -0.053 0.000 1.093 72 E HN 0.214 8.422 8.360 -0.253 0.000 0.394 73 V N 3.103 123.176 119.914 0.264 0.000 2.925 73 V HA 0.603 nan 4.120 nan 0.000 0.311 73 V C -1.096 175.195 176.094 0.329 0.000 1.104 73 V CA -1.351 61.159 62.300 0.350 0.000 0.954 73 V CB 3.290 35.267 31.823 0.256 0.000 1.022 73 V HN 0.242 8.558 8.190 0.210 0.000 0.427 74 R N 2.077 122.755 120.500 0.296 0.000 2.532 74 R HA 0.617 nan 4.340 nan 0.000 0.297 74 R C -2.183 174.242 176.300 0.209 0.000 0.984 74 R CA -0.835 55.324 56.100 0.098 0.000 0.884 74 R CB 3.538 33.672 30.300 -0.277 0.000 1.182 74 R HN 0.721 9.219 8.270 0.380 0.000 0.442 75 W N 3.922 125.224 121.300 0.004 0.000 2.706 75 W HA 0.656 nan 4.660 nan 0.000 0.346 75 W C -2.144 174.393 176.519 0.031 0.000 1.071 75 W CA -1.331 56.008 57.345 -0.010 0.000 1.206 75 W CB 4.613 34.045 29.460 -0.046 0.000 1.413 75 W HN 0.915 9.283 8.180 0.312 0.000 0.542 76 S N 0.058 115.735 115.700 -0.039 0.000 2.541 76 S HA 0.530 nan 4.470 nan 0.000 0.271 76 S C -2.158 172.439 174.600 -0.004 0.000 1.133 76 S CA -1.203 56.976 58.200 -0.035 0.000 0.876 76 S CB 3.323 66.377 63.200 -0.243 0.000 1.105 76 S HN 0.873 8.863 8.310 -0.534 0.000 0.470 77 S N 0.802 116.519 115.700 0.028 0.000 2.499 77 S HA 0.237 nan 4.470 nan 0.000 0.279 77 S C 0.432 175.061 174.600 0.048 0.000 1.219 77 S CA -1.835 56.404 58.200 0.064 0.000 1.062 77 S CB 0.953 64.175 63.200 0.036 0.000 0.978 77 S HN 0.259 8.560 8.310 -0.015 0.000 0.489 78 C N 3.599 122.916 119.300 0.029 0.000 2.536 78 C HA 0.280 nan 4.460 nan 0.000 0.285 78 C C -0.604 174.330 174.990 -0.094 0.000 1.371 78 C CA -1.819 57.250 59.018 0.085 0.000 1.675 78 C CB -1.768 26.030 27.740 0.096 0.000 1.689 78 C HN 0.579 8.814 8.230 0.060 0.031 0.589 79 N N 0.540 119.109 118.700 -0.219 0.000 2.406 79 N HA 0.137 nan 4.740 nan 0.000 0.283 79 N C -0.279 175.035 175.510 -0.328 0.000 1.074 79 N CA -0.131 52.690 53.050 -0.381 0.000 0.916 79 N CB 2.762 40.964 38.487 -0.475 0.000 1.639 79 N HN -0.727 7.477 8.380 -0.127 0.100 0.485 80 I N -1.569 118.689 120.570 -0.520 0.000 2.361 80 I HA -0.251 nan 4.170 nan 0.000 0.251 80 I C -0.048 175.707 176.117 -0.602 0.000 1.133 80 I CA 2.692 63.613 61.300 -0.632 0.000 1.413 80 I CB -0.223 37.227 38.000 -0.918 0.000 1.073 80 I HN 0.498 8.322 8.210 -0.644 0.000 0.424 81 F N -1.749 118.128 119.950 -0.123 0.000 2.717 81 F HA 0.250 nan 4.527 nan 0.000 0.297 81 F C 1.119 176.913 175.800 -0.009 0.000 1.113 81 F CA 0.436 58.404 58.000 -0.054 0.000 1.319 81 F CB 0.189 39.163 39.000 -0.043 0.000 1.097 81 F HN 0.116 8.468 8.300 -0.348 -0.261 0.595 82 S N -0.336 115.433 115.700 0.115 0.000 2.474 82 S HA -0.202 nan 4.470 nan 0.000 0.235 82 S C 0.936 175.628 174.600 0.153 0.000 0.997 82 S CA 2.377 60.671 58.200 0.157 0.000 0.949 82 S CB -0.351 62.932 63.200 0.137 0.000 0.766 82 S HN -0.305 8.248 8.310 -0.005 -0.246 0.517 83 T N 3.259 117.871 114.554 0.097 0.000 2.834 83 T HA 0.003 nan 4.350 nan 0.000 0.298 83 T C -0.737 174.031 174.700 0.115 0.000 0.966 83 T CA -0.153 62.005 62.100 0.097 0.000 1.141 83 T CB 0.211 69.116 68.868 0.062 0.000 0.905 83 T HN -0.438 7.776 8.240 0.053 0.058 0.535 84 Q N 8.767 128.618 119.800 0.086 0.000 2.349 84 Q HA 0.176 nan 4.340 nan 0.000 0.254 84 Q C 0.633 176.673 176.000 0.066 0.000 0.980 84 Q CA -0.922 54.934 55.803 0.089 0.000 0.924 84 Q CB 1.116 29.880 28.738 0.043 0.000 1.209 84 Q HN 0.807 9.000 8.270 0.062 0.114 0.445 85 D N 7.683 128.164 120.400 0.136 0.000 2.123 85 D HA -0.391 nan 4.640 nan 0.000 0.196 85 D C 1.501 177.845 176.300 0.075 0.000 0.992 85 D CA 4.430 58.511 54.000 0.135 0.000 0.833 85 D CB -0.141 40.779 40.800 0.200 0.000 0.954 85 D HN 0.784 9.252 8.370 0.163 0.000 0.455 86 H N -2.941 115.986 119.070 -0.239 0.000 2.489 86 H HA -0.130 nan 4.556 nan 0.000 0.293 86 H C 1.285 176.452 175.328 -0.268 0.000 1.066 86 H CA 2.418 58.273 56.048 -0.323 0.000 1.305 86 H CB -1.247 27.971 29.762 -0.907 0.000 1.386 86 H HN 0.230 8.631 8.280 0.201 0.000 0.551 87 A N -0.533 121.948 122.820 -0.566 0.000 1.903 87 A HA -0.160 nan 4.320 nan 0.000 0.213 87 A C 1.590 179.018 177.584 -0.259 0.000 1.185 87 A CA 2.416 54.166 52.037 -0.478 0.000 0.628 87 A CB -0.570 18.159 19.000 -0.452 0.000 0.830 87 A HN -0.357 7.386 8.150 -0.429 0.150 0.446 88 A N -1.639 121.084 122.820 -0.160 0.000 1.930 88 A HA -0.280 nan 4.320 nan 0.000 0.217 88 A C 1.709 179.212 177.584 -0.135 0.000 1.175 88 A CA 2.785 54.757 52.037 -0.107 0.000 0.627 88 A CB -0.650 18.350 19.000 0.001 0.000 0.815 88 A HN -0.171 7.901 8.150 -0.129 0.000 0.443 89 A N -2.015 120.742 122.820 -0.104 0.000 1.883 89 A HA -0.347 nan 4.320 nan 0.000 0.217 89 A C 1.754 179.245 177.584 -0.154 0.000 1.186 89 A CA 3.117 55.089 52.037 -0.108 0.000 0.624 89 A CB -0.806 18.187 19.000 -0.013 0.000 0.822 89 A HN 0.471 8.458 8.150 -0.077 0.117 0.444 90 A N -1.270 121.461 122.820 -0.147 0.000 1.883 90 A HA -0.317 nan 4.320 nan 0.000 0.217 90 A C 2.176 179.657 177.584 -0.171 0.000 1.186 90 A CA 3.096 55.047 52.037 -0.143 0.000 0.624 90 A CB -0.750 18.159 19.000 -0.153 0.000 0.822 90 A HN -0.477 7.578 8.150 -0.157 0.000 0.444 91 I N -1.557 118.894 120.570 -0.199 0.000 2.142 91 I HA -0.490 nan 4.170 nan 0.000 0.240 91 I C 2.131 178.110 176.117 -0.231 0.000 1.078 91 I CA 1.884 63.060 61.300 -0.206 0.000 1.343 91 I CB -1.469 36.396 38.000 -0.225 0.000 1.046 91 I HN -0.492 7.595 8.210 -0.206 0.000 0.405 92 A N -1.072 121.555 122.820 -0.322 0.000 1.883 92 A HA -0.366 nan 4.320 nan 0.000 0.217 92 A C 2.398 179.690 177.584 -0.487 0.000 1.186 92 A CA 3.341 55.035 52.037 -0.572 0.000 0.624 92 A CB -0.914 17.525 19.000 -0.936 0.000 0.822 92 A HN 0.368 8.344 8.150 -0.291 0.000 0.444 93 K N 0.177 120.374 120.400 -0.339 0.000 2.063 93 K HA -0.277 nan 4.320 nan 0.000 0.208 93 K C 1.718 178.246 176.600 -0.121 0.000 1.048 93 K CA 2.381 58.552 56.287 -0.193 0.000 0.928 93 K CB 0.087 32.512 32.500 -0.124 0.000 0.713 93 K HN 0.129 8.085 8.250 -0.311 0.107 0.442 94 A N -3.749 118.996 122.820 -0.124 0.000 2.225 94 A HA -0.107 nan 4.320 nan 0.000 0.215 94 A C 0.148 177.694 177.584 -0.062 0.000 1.164 94 A CA 0.599 52.584 52.037 -0.086 0.000 0.710 94 A CB 0.130 19.072 19.000 -0.098 0.000 0.780 94 A HN 0.019 7.867 8.150 -0.155 0.210 0.473 95 G N -3.427 105.334 108.800 -0.066 0.000 2.131 95 G HA2 -0.342 nan 3.960 nan 0.000 0.223 95 G HA3 -0.342 nan 3.960 nan 0.000 0.223 95 G C -0.949 173.944 174.900 -0.011 0.000 0.990 95 G CA -0.259 44.833 45.100 -0.014 0.000 0.671 95 G HN -0.341 7.675 8.290 -0.111 0.208 0.521 96 I N 0.420 120.956 120.570 -0.057 0.000 2.359 96 I HA 0.297 nan 4.170 nan 0.000 0.294 96 I C -2.196 173.884 176.117 -0.062 0.000 0.987 96 I CA -3.359 57.915 61.300 -0.044 0.000 1.225 96 I CB 1.826 39.786 38.000 -0.066 0.000 1.366 96 I HN -0.541 7.606 8.210 -0.105 0.000 0.466 97 P HA 0.034 nan 4.420 nan 0.000 0.264 97 P C -1.720 175.444 177.300 -0.226 0.000 1.537 97 P CA -0.134 62.877 63.100 -0.149 0.000 1.189 97 P CB -1.721 29.963 31.700 -0.026 0.000 1.687 98 V N -1.378 118.345 119.914 -0.318 0.000 2.459 98 V HA 0.781 nan 4.120 nan 0.000 0.295 98 V C -1.532 174.366 176.094 -0.326 0.000 1.029 98 V CA -2.655 59.551 62.300 -0.155 0.000 0.874 98 V CB 1.799 33.586 31.823 -0.060 0.000 0.985 98 V HN -0.333 7.686 8.190 -0.286 0.000 0.438 99 F N 5.635 125.670 119.950 0.143 0.000 2.434 99 F HA 0.686 nan 4.527 nan 0.000 0.367 99 F C -1.905 174.027 175.800 0.220 0.000 1.093 99 F CA -1.634 56.506 58.000 0.234 0.000 1.085 99 F CB 0.694 39.665 39.000 -0.049 0.000 1.322 99 F HN 0.073 8.575 8.300 0.337 0.000 0.452 100 A N 3.121 126.229 122.820 0.481 0.000 2.585 100 A HA 0.483 nan 4.320 nan 0.000 0.299 100 A C -3.096 174.720 177.584 0.387 0.000 1.047 100 A CA 0.704 52.851 52.037 0.183 0.000 0.723 100 A CB 2.621 21.679 19.000 0.096 0.000 1.275 100 A HN 0.161 8.680 8.150 0.616 0.000 0.408 101 W N -1.825 119.565 121.300 0.150 0.000 3.296 101 W HA 0.302 nan 4.660 nan 0.000 0.314 101 W C -2.135 174.462 176.519 0.130 0.000 1.238 101 W CA -2.138 55.286 57.345 0.132 0.000 1.193 101 W CB 2.056 31.598 29.460 0.136 0.000 1.383 101 W HN 0.588 8.787 8.180 -0.595 -0.376 0.545 102 K N 2.562 123.105 120.400 0.239 0.000 2.402 102 K HA -0.338 nan 4.320 nan 0.000 0.285 102 K C 0.655 177.432 176.600 0.295 0.000 1.054 102 K CA 0.561 56.977 56.287 0.214 0.000 1.001 102 K CB -0.405 32.241 32.500 0.242 0.000 0.946 102 K HN -0.072 8.721 8.250 0.314 -0.354 0.473 103 G N 6.475 115.431 108.800 0.260 0.000 2.288 103 G HA2 -0.374 nan 3.960 nan 0.000 0.205 103 G HA3 -0.374 nan 3.960 nan 0.000 0.205 103 G C -0.910 174.049 174.900 0.099 0.000 1.071 103 G CA -0.580 44.736 45.100 0.360 0.000 0.788 103 G HN 0.710 8.943 8.290 0.090 0.111 0.491 104 E N 0.206 120.241 120.200 -0.276 0.000 2.385 104 E HA 0.281 nan 4.350 nan 0.000 0.254 104 E C -0.330 176.198 176.600 -0.118 0.000 1.228 104 E CA -0.584 55.693 56.400 -0.204 0.000 0.956 104 E CB 1.014 30.377 29.700 -0.562 0.000 1.116 104 E HN -0.532 7.542 8.360 -0.476 0.000 0.507 105 T N -4.172 110.393 114.554 0.018 0.000 2.952 105 T HA 0.420 nan 4.350 nan 0.000 0.286 105 T C 0.366 175.079 174.700 0.021 0.000 1.024 105 T CA -2.371 59.740 62.100 0.019 0.000 1.029 105 T CB 1.906 70.823 68.868 0.081 0.000 1.094 105 T HN -0.246 8.212 8.240 0.107 -0.153 0.515 106 D N 1.126 121.529 120.400 0.005 0.000 2.221 106 D HA -0.316 nan 4.640 nan 0.000 0.204 106 D C 2.159 178.536 176.300 0.129 0.000 0.982 106 D CA 3.981 58.007 54.000 0.043 0.000 0.857 106 D CB -0.299 40.506 40.800 0.009 0.000 0.934 106 D HN 0.411 8.775 8.370 -0.010 0.000 0.475 107 E N -0.815 119.449 120.200 0.107 0.000 2.028 107 E HA -0.224 nan 4.350 nan 0.000 0.190 107 E C 2.445 179.159 176.600 0.190 0.000 0.984 107 E CA 2.946 59.419 56.400 0.123 0.000 0.800 107 E CB -0.611 29.137 29.700 0.081 0.000 0.758 107 E HN 0.372 8.752 8.360 0.079 0.027 0.448 108 E N 0.749 121.075 120.200 0.210 0.000 2.150 108 E HA -0.309 nan 4.350 nan 0.000 0.193 108 E C 2.348 179.134 176.600 0.310 0.000 0.985 108 E CA 2.599 59.208 56.400 0.349 0.000 0.814 108 E CB 0.006 29.978 29.700 0.454 0.000 0.752 108 E HN -0.237 8.154 8.360 0.168 0.071 0.466 109 Y N 1.980 122.296 120.300 0.026 0.000 2.089 109 Y HA -0.419 nan 4.550 nan 0.000 0.282 109 Y C 1.512 177.399 175.900 -0.022 0.000 1.139 109 Y CA 3.776 61.830 58.100 -0.077 0.000 1.123 109 Y CB 0.147 38.524 38.460 -0.139 0.000 0.980 109 Y HN 0.335 8.536 8.280 0.226 0.215 0.493 110 L N -2.967 118.246 121.223 -0.016 0.000 2.079 110 L HA -0.393 nan 4.340 nan 0.000 0.210 110 L C 2.253 179.071 176.870 -0.086 0.000 1.081 110 L CA 2.589 57.375 54.840 -0.089 0.000 0.752 110 L CB -1.592 40.503 42.059 0.060 0.000 0.896 110 L HN -0.356 7.989 8.230 0.191 0.000 0.433 111 W N 0.648 121.879 121.300 -0.115 0.000 2.333 111 W HA -0.415 nan 4.660 nan 0.000 0.316 111 W C 1.587 177.989 176.519 -0.196 0.000 1.215 111 W CA 4.754 62.038 57.345 -0.102 0.000 1.278 111 W CB -0.568 28.890 29.460 -0.003 0.000 1.154 111 W HN -0.281 8.046 8.180 0.264 0.011 0.486 112 C N -1.125 117.993 119.300 -0.304 0.000 2.398 112 C HA -0.521 nan 4.460 nan 0.000 0.276 112 C C 2.619 177.208 174.990 -0.668 0.000 1.222 112 C CA 4.757 63.414 59.018 -0.603 0.000 1.746 112 C CB -1.463 26.153 27.740 -0.207 0.000 2.039 112 C HN 0.097 8.308 8.230 0.150 0.109 0.470 113 I N -1.126 119.106 120.570 -0.563 0.000 2.179 113 I HA -0.601 nan 4.170 nan 0.000 0.242 113 I C 2.011 177.818 176.117 -0.518 0.000 1.088 113 I CA 3.824 64.816 61.300 -0.514 0.000 1.357 113 I CB -0.327 37.382 38.000 -0.485 0.000 1.051 113 I HN -0.315 7.565 8.210 -0.543 0.004 0.409 114 E N -0.832 119.065 120.200 -0.505 0.000 2.204 114 E HA -0.371 nan 4.350 nan 0.000 0.195 114 E C 3.042 179.303 176.600 -0.565 0.000 0.990 114 E CA 2.975 59.091 56.400 -0.473 0.000 0.821 114 E CB -0.603 28.913 29.700 -0.307 0.000 0.750 114 E HN -0.383 7.704 8.360 -0.455 0.000 0.477 115 Q N -3.279 115.996 119.800 -0.876 0.000 2.541 115 Q HA -0.134 nan 4.340 nan 0.000 0.215 115 Q C 0.956 176.452 176.000 -0.840 0.000 0.977 115 Q CA 1.960 57.084 55.803 -1.132 0.000 0.934 115 Q CB -0.493 26.864 28.738 -2.303 0.000 0.988 115 Q HN -0.310 7.234 8.270 -0.994 0.130 0.521 116 T N -7.920 106.284 114.554 -0.583 0.000 3.044 116 T HA 0.289 nan 4.350 nan 0.000 0.260 116 T C 0.939 175.409 174.700 -0.384 0.000 1.019 116 T CA -0.035 61.820 62.100 -0.408 0.000 0.921 116 T CB 0.432 69.126 68.868 -0.291 0.000 1.053 116 T HN -0.428 7.392 8.240 -0.576 0.074 0.533 117 L N -0.980 119.999 121.223 -0.407 0.000 2.291 117 L HA -0.120 nan 4.340 nan 0.000 0.214 117 L C -0.250 176.280 176.870 -0.566 0.000 1.120 117 L CA 2.324 56.879 54.840 -0.474 0.000 0.799 117 L CB 0.248 41.927 42.059 -0.634 0.000 0.925 117 L HN -0.904 7.067 8.230 -0.432 0.000 0.446 118 H N -4.774 114.206 119.070 -0.150 0.000 2.609 118 H HA 0.382 nan 4.556 nan 0.000 0.344 118 H C -1.072 174.165 175.328 -0.151 0.000 1.040 118 H CA -1.628 54.401 56.048 -0.032 0.000 1.216 118 H CB 2.552 32.287 29.762 -0.044 0.000 1.529 118 H HN -0.705 7.378 8.280 -0.268 0.036 0.519 119 F N 1.323 121.310 119.950 0.062 0.000 2.461 119 F HA 0.242 nan 4.527 nan 0.000 0.337 119 F C 1.200 177.031 175.800 0.052 0.000 1.079 119 F CA -1.350 56.674 58.000 0.041 0.000 1.032 119 F CB 1.476 40.480 39.000 0.006 0.000 1.327 119 F HN 0.780 9.317 8.300 0.572 0.107 0.491 120 K N 0.201 120.731 120.400 0.216 0.000 2.152 120 K HA -0.252 nan 4.320 nan 0.000 0.206 120 K C 0.091 176.764 176.600 0.122 0.000 1.048 120 K CA 2.745 59.109 56.287 0.129 0.000 0.933 120 K CB 0.193 32.758 32.500 0.107 0.000 0.721 120 K HN 0.701 9.103 8.250 0.253 0.000 0.447 121 D N -4.612 115.877 120.400 0.149 0.000 2.943 121 D HA 0.133 nan 4.640 nan 0.000 0.347 121 D C -0.435 175.930 176.300 0.109 0.000 1.305 121 D CA -0.308 53.754 54.000 0.103 0.000 0.870 121 D CB -0.831 40.012 40.800 0.071 0.000 1.081 121 D HN -0.411 8.058 8.370 0.208 0.026 0.492 122 G N 0.118 109.006 108.800 0.147 0.000 2.555 122 G HA2 -0.239 nan 3.960 nan 0.000 0.686 122 G HA3 -0.239 nan 3.960 nan 0.000 0.686 122 G C -3.133 171.910 174.900 0.238 0.000 1.275 122 G CA -0.619 44.574 45.100 0.154 0.000 0.871 122 G HN -0.671 7.714 8.290 0.158 0.000 0.603 123 P HA 0.443 nan 4.420 nan 0.000 0.278 123 P C -0.436 176.893 177.300 0.048 0.000 1.258 123 P CA -1.059 62.127 63.100 0.144 0.000 0.811 123 P CB 1.032 32.754 31.700 0.037 0.000 1.063 124 L N -4.648 116.607 121.223 0.054 0.000 2.554 124 L HA -0.241 nan 4.340 nan 0.000 0.293 124 L C -0.421 176.366 176.870 -0.139 0.000 1.252 124 L CA 1.388 56.169 54.840 -0.099 0.000 0.862 124 L CB -0.340 41.729 42.059 0.016 0.000 1.113 124 L HN 0.144 8.302 8.230 0.053 0.104 0.510 125 N N -0.940 117.646 118.700 -0.191 0.000 2.160 125 N HA 0.185 nan 4.740 nan 0.000 0.226 125 N C -1.172 174.336 175.510 -0.003 0.000 1.256 125 N CA -0.374 52.652 53.050 -0.041 0.000 0.890 125 N CB 2.083 40.614 38.487 0.073 0.000 1.116 125 N HN 0.047 8.226 8.380 -0.336 0.000 0.517 126 M N -1.377 118.156 119.600 -0.112 0.000 2.569 126 M HA 0.607 nan 4.480 nan 0.000 0.279 126 M C -2.171 174.061 176.300 -0.114 0.000 1.253 126 M CA -0.305 54.941 55.300 -0.090 0.000 0.867 126 M CB 5.531 38.026 32.600 -0.174 0.000 1.727 126 M HN -0.876 7.255 8.290 -0.170 0.057 0.467 127 I N -0.313 120.199 120.570 -0.097 0.000 2.569 127 I HA 0.630 nan 4.170 nan 0.000 0.290 127 I C -2.150 173.891 176.117 -0.127 0.000 1.088 127 I CA -0.600 60.625 61.300 -0.126 0.000 1.047 127 I CB 3.821 41.760 38.000 -0.102 0.000 1.237 127 I HN 0.154 8.323 8.210 -0.068 0.000 0.421 128 L N 6.763 127.872 121.223 -0.191 0.000 2.388 128 L HA 0.577 nan 4.340 nan 0.000 0.267 128 L C -2.731 174.012 176.870 -0.211 0.000 0.995 128 L CA -1.232 53.510 54.840 -0.163 0.000 0.864 128 L CB 1.904 43.874 42.059 -0.149 0.000 1.216 128 L HN 0.260 8.330 8.230 -0.266 0.000 0.430 129 D N 6.307 126.637 120.400 -0.116 0.000 2.350 129 D HA 0.658 nan 4.640 nan 0.000 0.238 129 D C -2.649 173.646 176.300 -0.009 0.000 0.989 129 D CA -1.507 52.438 54.000 -0.092 0.000 0.921 129 D CB 4.078 44.834 40.800 -0.072 0.000 1.297 129 D HN 0.528 8.853 8.370 -0.076 0.000 0.490 130 D N 1.660 122.078 120.400 0.030 0.000 2.479 130 D HA 0.112 nan 4.640 nan 0.000 0.246 130 D C -0.175 176.193 176.300 0.114 0.000 1.336 130 D CA -0.821 53.241 54.000 0.103 0.000 0.967 130 D CB 1.844 42.754 40.800 0.183 0.000 1.275 130 D HN -0.416 7.959 8.370 0.009 0.000 0.577 131 G N 6.104 114.962 108.800 0.095 0.000 3.129 131 G HA2 -0.344 nan 3.960 nan 0.000 0.385 131 G HA3 -0.344 nan 3.960 nan 0.000 0.385 131 G C 0.286 175.226 174.900 0.068 0.000 1.046 131 G CA -0.120 45.038 45.100 0.097 0.000 0.933 131 G HN 0.052 8.629 8.290 0.078 -0.240 0.424 132 G N 4.548 113.379 108.800 0.052 0.000 3.081 132 G HA2 -0.671 nan 3.960 nan 0.000 0.282 132 G HA3 -0.671 nan 3.960 nan 0.000 0.282 132 G C 0.330 175.252 174.900 0.037 0.000 1.102 132 G CA 2.310 47.434 45.100 0.040 0.000 0.851 132 G HN 0.708 9.029 8.290 0.052 0.000 0.691 133 D N 0.669 121.101 120.400 0.054 0.000 3.523 133 D HA -0.354 nan 4.640 nan 0.000 0.258 133 D C 1.873 178.166 176.300 -0.011 0.000 1.189 133 D CA 3.086 57.116 54.000 0.050 0.000 0.935 133 D CB -0.840 40.026 40.800 0.109 0.000 1.003 133 D HN 0.375 8.747 8.370 0.069 0.040 0.545 134 L N -2.178 119.010 121.223 -0.058 0.000 2.017 134 L HA -0.258 nan 4.340 nan 0.000 0.208 134 L C 1.936 178.769 176.870 -0.062 0.000 1.073 134 L CA 2.800 57.572 54.840 -0.114 0.000 0.745 134 L CB -0.081 41.877 42.059 -0.169 0.000 0.894 134 L HN -0.534 7.907 8.230 -0.048 -0.240 0.432 135 T N -2.977 111.575 114.554 -0.004 0.000 2.788 135 T HA -0.327 nan 4.350 nan 0.000 0.268 135 T C 2.321 177.141 174.700 0.201 0.000 1.044 135 T CA 3.830 65.988 62.100 0.097 0.000 1.139 135 T CB -0.522 68.414 68.868 0.113 0.000 0.867 135 T HN 0.052 8.582 8.240 -0.008 -0.294 0.454 136 N N 3.275 122.043 118.700 0.113 0.000 2.051 136 N HA -0.282 nan 4.740 nan 0.000 0.192 136 N C 1.644 177.219 175.510 0.107 0.000 1.049 136 N CA 3.283 56.404 53.050 0.118 0.000 0.845 136 N CB -0.048 38.481 38.487 0.071 0.000 1.031 136 N HN -0.401 7.935 8.380 0.064 0.082 0.425 137 L N 0.118 121.373 121.223 0.053 0.000 2.064 137 L HA -0.431 nan 4.340 nan 0.000 0.216 137 L C 1.652 178.590 176.870 0.113 0.000 1.077 137 L CA 3.517 58.393 54.840 0.059 0.000 0.766 137 L CB -0.003 42.039 42.059 -0.028 0.000 0.890 137 L HN 0.174 8.421 8.230 0.028 0.000 0.435 138 I N -3.246 117.330 120.570 0.009 0.000 2.353 138 I HA -0.528 nan 4.170 nan 0.000 0.248 138 I C 2.177 178.271 176.117 -0.038 0.000 1.119 138 I CA 3.960 65.242 61.300 -0.030 0.000 1.417 138 I CB -0.451 37.441 38.000 -0.179 0.000 1.078 138 I HN -0.726 7.458 8.210 -0.031 0.007 0.421 139 H N -1.264 117.825 119.070 0.031 0.000 2.423 139 H HA -0.176 nan 4.556 nan 0.000 0.297 139 H C 1.521 176.864 175.328 0.025 0.000 1.075 139 H CA 3.919 59.980 56.048 0.022 0.000 1.342 139 H CB 0.229 29.996 29.762 0.008 0.000 1.395 139 H HN -0.467 7.769 8.280 0.086 0.095 0.530 140 T N -6.109 108.527 114.554 0.137 0.000 3.038 140 T HA 0.131 nan 4.350 nan 0.000 0.244 140 T C 1.104 175.821 174.700 0.028 0.000 1.016 140 T CA 1.527 63.674 62.100 0.078 0.000 1.098 140 T CB 0.852 69.761 68.868 0.069 0.000 0.954 140 T HN 0.225 8.550 8.240 0.142 0.000 0.469 141 K N -1.205 119.220 120.400 0.042 0.000 2.358 141 K HA 0.129 nan 4.320 nan 0.000 0.200 141 K C -0.529 175.805 176.600 -0.445 0.000 1.030 141 K CA 0.329 56.543 56.287 -0.122 0.000 1.097 141 K CB 1.636 34.104 32.500 -0.055 0.000 0.862 141 K HN -0.195 8.023 8.250 0.119 0.103 0.534 142 H N -2.322 116.730 119.070 -0.031 0.000 3.186 142 H HA 0.300 nan 4.556 nan 0.000 0.219 142 H C -1.996 173.295 175.328 -0.062 0.000 1.393 142 H CA -2.403 53.621 56.048 -0.040 0.000 1.183 142 H CB -1.054 28.675 29.762 -0.055 0.000 2.346 142 H HN -0.450 7.808 8.280 0.105 0.085 0.535 143 P HA -0.201 nan 4.420 nan 0.000 0.229 143 P C 0.329 177.624 177.300 -0.008 0.000 1.150 143 P CA 1.774 64.867 63.100 -0.013 0.000 0.765 143 P CB 0.036 31.741 31.700 0.008 0.000 0.783 144 Q N -2.461 117.347 119.800 0.014 0.000 2.245 144 Q HA -0.095 nan 4.340 nan 0.000 0.201 144 Q C 2.245 178.255 176.000 0.017 0.000 0.955 144 Q CA 2.390 58.205 55.803 0.019 0.000 0.870 144 Q CB -1.119 27.640 28.738 0.035 0.000 0.945 144 Q HN 0.295 8.488 8.270 0.027 0.092 0.461 145 L N -1.761 119.469 121.223 0.012 0.000 2.156 145 L HA -0.248 nan 4.340 nan 0.000 0.208 145 L C 1.756 178.595 176.870 -0.051 0.000 1.095 145 L CA 1.962 56.791 54.840 -0.017 0.000 0.770 145 L CB -0.312 41.716 42.059 -0.052 0.000 0.914 145 L HN -0.308 7.912 8.230 0.027 0.026 0.439 146 L N -1.572 119.599 121.223 -0.085 0.000 2.054 146 L HA -0.480 nan 4.340 nan 0.000 0.220 146 L C 2.466 179.309 176.870 -0.044 0.000 1.081 146 L CA 3.306 58.079 54.840 -0.111 0.000 0.780 146 L CB -1.301 40.682 42.059 -0.127 0.000 0.893 146 L HN -0.125 8.054 8.230 -0.085 0.000 0.438 147 S N -1.285 114.404 115.700 -0.019 0.000 2.399 147 S HA -0.245 nan 4.470 nan 0.000 0.231 147 S C 1.674 176.275 174.600 0.001 0.000 1.022 147 S CA 2.825 61.024 58.200 -0.002 0.000 0.983 147 S CB -0.459 62.743 63.200 0.005 0.000 0.803 147 S HN -0.050 8.241 8.310 -0.018 0.008 0.480 148 G N 0.412 109.210 108.800 -0.002 0.000 2.813 148 G HA2 -0.003 nan 3.960 nan 0.000 0.209 148 G HA3 -0.003 nan 3.960 nan 0.000 0.209 148 G C -1.140 173.767 174.900 0.012 0.000 1.150 148 G CA -0.173 44.931 45.100 0.007 0.000 0.785 148 G HN -0.136 8.024 8.290 -0.009 0.125 0.535 149 I N -0.177 120.390 120.570 -0.005 0.000 2.337 149 I HA -0.148 nan 4.170 nan 0.000 0.291 149 I C -0.555 175.580 176.117 0.031 0.000 1.046 149 I CA 0.228 61.528 61.300 -0.000 0.000 1.324 149 I CB 0.030 38.005 38.000 -0.042 0.000 1.409 149 I HN -0.676 7.342 8.210 -0.018 0.181 0.494 150 R N 9.026 129.573 120.500 0.079 0.000 2.153 150 R HA -0.004 nan 4.340 nan 0.000 0.218 150 R C -0.381 175.961 176.300 0.070 0.000 1.072 150 R CA 0.688 56.837 56.100 0.082 0.000 0.990 150 R CB 0.852 31.227 30.300 0.125 0.000 0.889 150 R HN 0.731 8.956 8.270 0.118 0.117 0.452 151 G N -4.797 104.041 108.800 0.062 0.000 2.523 151 G HA2 0.387 nan 3.960 nan 0.000 0.291 151 G HA3 0.387 nan 3.960 nan 0.000 0.291 151 G C -3.106 171.794 174.900 0.000 0.000 1.450 151 G CA -0.008 45.109 45.100 0.028 0.000 0.790 151 G HN -0.850 7.478 8.290 0.064 0.000 0.496 152 I N -2.266 118.292 120.570 -0.019 0.000 2.828 152 I HA 0.529 nan 4.170 nan 0.000 0.302 152 I C -1.674 174.413 176.117 -0.050 0.000 1.101 152 I CA -1.800 59.480 61.300 -0.034 0.000 1.031 152 I CB 4.543 42.531 38.000 -0.019 0.000 1.231 152 I HN 0.241 8.437 8.210 -0.024 0.000 0.427 153 S N 3.254 118.924 115.700 -0.048 0.000 2.561 153 S HA 0.617 nan 4.470 nan 0.000 0.303 153 S C -2.258 172.324 174.600 -0.029 0.000 1.110 153 S CA -0.996 57.181 58.200 -0.038 0.000 1.034 153 S CB 2.069 65.255 63.200 -0.023 0.000 1.010 153 S HN 0.128 8.406 8.310 -0.053 0.000 0.482 154 E N 3.768 123.952 120.200 -0.027 0.000 2.248 154 E HA 0.480 nan 4.350 nan 0.000 0.267 154 E C -2.098 174.507 176.600 0.008 0.000 0.877 154 E CA -1.993 54.398 56.400 -0.016 0.000 0.759 154 E CB 3.679 33.352 29.700 -0.045 0.000 1.182 154 E HN 0.405 8.745 8.360 -0.034 0.000 0.418 155 E N 2.701 122.924 120.200 0.038 0.000 2.812 155 E HA 0.318 nan 4.350 nan 0.000 0.211 155 E C -1.365 175.269 176.600 0.056 0.000 0.986 155 E CA -1.167 55.268 56.400 0.059 0.000 1.119 155 E CB 1.025 30.785 29.700 0.101 0.000 1.046 155 E HN -0.032 8.353 8.360 0.043 0.000 0.474 156 T N -5.296 109.280 114.554 0.036 0.000 2.906 156 T HA 0.388 nan 4.350 nan 0.000 0.295 156 T C 0.484 175.168 174.700 -0.026 0.000 1.061 156 T CA -1.839 60.279 62.100 0.030 0.000 1.000 156 T CB 2.929 71.835 68.868 0.063 0.000 1.103 156 T HN -0.870 7.510 8.240 0.022 -0.127 0.486 157 T N 3.755 118.275 114.554 -0.057 0.000 2.720 157 T HA -0.323 nan 4.350 nan 0.000 0.268 157 T C 1.479 175.994 174.700 -0.308 0.000 1.037 157 T CA 4.484 66.454 62.100 -0.216 0.000 1.144 157 T CB -0.505 68.264 68.868 -0.165 0.000 0.864 157 T HN 0.575 8.806 8.240 -0.015 0.000 0.444 158 T N 4.851 119.361 114.554 -0.073 0.000 2.569 158 T HA -0.285 nan 4.350 nan 0.000 0.263 158 T C 2.095 176.810 174.700 0.026 0.000 1.074 158 T CA 3.688 65.809 62.100 0.035 0.000 1.176 158 T CB -0.735 68.196 68.868 0.105 0.000 0.863 158 T HN -0.253 7.984 8.240 -0.004 0.000 0.410 159 G N 1.291 110.106 108.800 0.024 0.000 2.545 159 G HA2 -0.391 nan 3.960 nan 0.000 0.222 159 G HA3 -0.391 nan 3.960 nan 0.000 0.222 159 G C 1.178 176.075 174.900 -0.006 0.000 1.126 159 G CA 2.358 47.468 45.100 0.017 0.000 0.754 159 G HN -0.094 8.216 8.290 0.034 0.000 0.583 160 V N 2.263 122.157 119.914 -0.034 0.000 2.488 160 V HA -0.352 nan 4.120 nan 0.000 0.246 160 V C 2.086 178.275 176.094 0.158 0.000 1.046 160 V CA 3.747 66.035 62.300 -0.020 0.000 1.053 160 V CB -0.869 30.938 31.823 -0.026 0.000 0.679 160 V HN -0.128 7.917 8.190 -0.065 0.107 0.458 161 H N 0.188 119.344 119.070 0.144 0.000 2.387 161 H HA -0.400 nan 4.556 nan 0.000 0.299 161 H C 2.319 177.719 175.328 0.120 0.000 1.090 161 H CA 3.442 59.582 56.048 0.152 0.000 1.332 161 H CB -0.069 29.738 29.762 0.075 0.000 1.386 161 H HN 0.113 8.276 8.280 -0.042 0.092 0.516 162 N N -0.152 118.662 118.700 0.191 0.000 2.106 162 N HA -0.258 nan 4.740 nan 0.000 0.188 162 N C 1.944 177.467 175.510 0.022 0.000 1.029 162 N CA 2.849 55.950 53.050 0.086 0.000 0.848 162 N CB -0.256 38.263 38.487 0.054 0.000 1.007 162 N HN -0.240 8.232 8.380 0.174 0.012 0.423 163 L N -0.523 120.684 121.223 -0.028 0.000 2.079 163 L HA -0.449 nan 4.340 nan 0.000 0.210 163 L C 2.313 179.093 176.870 -0.149 0.000 1.081 163 L CA 3.345 58.098 54.840 -0.144 0.000 0.752 163 L CB -0.207 41.704 42.059 -0.247 0.000 0.896 163 L HN -0.212 7.940 8.230 -0.009 0.073 0.433 164 Y N -2.122 118.153 120.300 -0.042 0.000 2.220 164 Y HA -0.407 nan 4.550 nan 0.000 0.291 164 Y C 2.054 177.932 175.900 -0.036 0.000 1.129 164 Y CA 3.872 61.948 58.100 -0.040 0.000 1.161 164 Y CB -0.504 37.951 38.460 -0.007 0.000 0.997 164 Y HN -0.161 8.097 8.280 0.127 0.098 0.522 165 K N 0.156 120.638 120.400 0.137 0.000 2.002 165 K HA -0.381 nan 4.320 nan 0.000 0.209 165 K C 2.398 179.006 176.600 0.012 0.000 1.048 165 K CA 3.256 59.578 56.287 0.058 0.000 0.930 165 K CB -0.169 32.357 32.500 0.043 0.000 0.714 165 K HN 0.077 8.246 8.250 0.165 0.180 0.438 166 M N -1.296 118.290 119.600 -0.024 0.000 2.082 166 M HA -0.443 nan 4.480 nan 0.000 0.258 166 M C 2.310 178.566 176.300 -0.072 0.000 1.069 166 M CA 3.745 58.997 55.300 -0.081 0.000 1.102 166 M CB -0.085 32.413 32.600 -0.171 0.000 1.336 166 M HN 0.422 8.591 8.290 -0.013 0.113 0.404 167 M N -0.564 118.998 119.600 -0.063 0.000 2.073 167 M HA -0.371 nan 4.480 nan 0.000 0.258 167 M C 2.165 178.459 176.300 -0.011 0.000 1.070 167 M CA 2.494 57.765 55.300 -0.048 0.000 1.103 167 M CB -0.786 31.782 32.600 -0.054 0.000 1.321 167 M HN -0.216 7.926 8.290 -0.065 0.109 0.405 168 A N -0.163 122.666 122.820 0.015 0.000 1.917 168 A HA -0.314 nan 4.320 nan 0.000 0.219 168 A C 1.687 179.274 177.584 0.004 0.000 1.182 168 A CA 2.898 54.946 52.037 0.018 0.000 0.633 168 A CB -0.848 18.167 19.000 0.025 0.000 0.819 168 A HN 0.270 8.374 8.150 0.032 0.065 0.448 169 N N -5.163 113.534 118.700 -0.004 0.000 2.521 169 N HA -0.046 nan 4.740 nan 0.000 0.188 169 N C 0.585 176.091 175.510 -0.008 0.000 1.146 169 N CA -0.115 52.931 53.050 -0.006 0.000 0.893 169 N CB 0.169 38.650 38.487 -0.010 0.000 0.975 169 N HN -0.281 8.012 8.380 -0.007 0.083 0.451 170 G N -2.207 106.586 108.800 -0.011 0.000 2.143 170 G HA2 -0.356 nan 3.960 nan 0.000 0.248 170 G HA3 -0.356 nan 3.960 nan 0.000 0.248 170 G C -0.369 174.525 174.900 -0.009 0.000 0.991 170 G CA 0.914 46.011 45.100 -0.006 0.000 0.689 170 G HN 0.054 8.123 8.290 -0.013 0.213 0.522 171 I N -2.326 118.223 120.570 -0.035 0.000 2.584 171 I HA -0.142 nan 4.170 nan 0.000 0.255 171 I C 0.070 176.130 176.117 -0.096 0.000 1.145 171 I CA 0.807 62.078 61.300 -0.048 0.000 1.462 171 I CB 0.262 38.207 38.000 -0.091 0.000 1.102 171 I HN -0.156 7.980 8.210 -0.045 0.047 0.433 172 L N 1.025 122.165 121.223 -0.139 0.000 2.597 172 L HA -0.230 nan 4.340 nan 0.000 0.271 172 L C -0.149 176.742 176.870 0.034 0.000 1.157 172 L CA 1.358 56.114 54.840 -0.140 0.000 0.928 172 L CB -0.418 41.563 42.059 -0.130 0.000 1.216 172 L HN -0.818 7.346 8.230 -0.109 0.000 0.481 173 K N 6.500 127.026 120.400 0.209 0.000 2.276 173 K HA 0.044 nan 4.320 nan 0.000 0.198 173 K C -1.034 175.642 176.600 0.127 0.000 1.052 173 K CA 0.205 56.594 56.287 0.170 0.000 0.984 173 K CB 0.501 33.110 32.500 0.182 0.000 0.836 173 K HN -0.087 8.435 8.250 0.452 0.000 0.490 174 V N 0.247 120.256 119.914 0.158 0.000 2.513 174 V HA 0.479 nan 4.120 nan 0.000 0.299 174 V C -2.438 173.707 176.094 0.084 0.000 1.035 174 V CA -4.051 58.306 62.300 0.095 0.000 0.889 174 V CB 0.736 32.597 31.823 0.063 0.000 0.988 174 V HN -0.577 7.772 8.190 0.264 0.000 0.440 175 P HA 0.042 nan 4.420 nan 0.000 0.266 175 P C -2.263 175.077 177.300 0.066 0.000 1.195 175 P CA 0.533 63.705 63.100 0.121 0.000 0.768 175 P CB 0.275 32.071 31.700 0.160 0.000 0.838 176 A N 2.186 125.042 122.820 0.060 0.000 2.386 176 A HA 0.906 nan 4.320 nan 0.000 0.308 176 A C -1.709 175.867 177.584 -0.013 0.000 1.128 176 A CA -2.004 50.018 52.037 -0.026 0.000 0.789 176 A CB 4.006 22.942 19.000 -0.108 0.000 1.325 176 A HN 0.626 8.735 8.150 0.105 0.103 0.437 177 I N -0.879 119.647 120.570 -0.073 0.000 2.468 177 I HA 0.237 nan 4.170 nan 0.000 0.285 177 I C -2.169 173.905 176.117 -0.071 0.000 1.039 177 I CA -0.969 60.290 61.300 -0.068 0.000 1.074 177 I CB 3.257 41.186 38.000 -0.118 0.000 1.228 177 I HN -0.091 8.072 8.210 -0.079 0.000 0.436 178 N N 8.362 127.003 118.700 -0.098 0.000 2.401 178 N HA 0.180 nan 4.740 nan 0.000 0.255 178 N C -0.596 174.937 175.510 0.038 0.000 1.110 178 N CA -0.002 52.997 53.050 -0.085 0.000 0.949 178 N CB 0.553 38.906 38.487 -0.224 0.000 1.110 178 N HN 0.748 8.938 8.380 -0.128 0.113 0.490 179 V N 4.806 124.746 119.914 0.043 0.000 3.590 179 V HA -0.052 nan 4.120 nan 0.000 0.265 179 V C 1.453 177.599 176.094 0.087 0.000 1.239 179 V CA 1.060 63.406 62.300 0.075 0.000 1.117 179 V CB -0.169 31.691 31.823 0.062 0.000 0.818 179 V HN 1.067 9.163 8.190 0.017 0.104 0.451 180 N N 0.628 119.374 118.700 0.076 0.000 2.166 180 N HA -0.266 nan 4.740 nan 0.000 0.186 180 N C 0.683 176.254 175.510 0.103 0.000 1.019 180 N CA 3.264 56.358 53.050 0.073 0.000 0.856 180 N CB 0.231 38.745 38.487 0.044 0.000 0.993 180 N HN 0.191 8.716 8.380 0.054 -0.113 0.426 181 D N -2.095 118.410 120.400 0.174 0.000 2.328 181 D HA 0.104 nan 4.640 nan 0.000 0.226 181 D C -0.137 176.266 176.300 0.173 0.000 1.066 181 D CA 0.229 54.361 54.000 0.221 0.000 0.861 181 D CB 0.350 41.413 40.800 0.438 0.000 0.912 181 D HN -0.492 8.253 8.370 0.190 -0.261 0.521 182 S N 1.368 117.153 115.700 0.142 0.000 2.560 182 S HA -0.139 nan 4.470 nan 0.000 0.284 182 S C 0.604 175.227 174.600 0.038 0.000 1.327 182 S CA 1.191 59.445 58.200 0.090 0.000 1.055 182 S CB 0.837 64.081 63.200 0.073 0.000 0.868 182 S HN -0.617 7.605 8.310 0.138 0.170 0.506 183 V N 4.663 124.566 119.914 -0.019 0.000 2.515 183 V HA -0.255 nan 4.120 nan 0.000 0.250 183 V C 0.718 176.789 176.094 -0.038 0.000 1.058 183 V CA 3.353 65.603 62.300 -0.082 0.000 1.064 183 V CB -0.060 31.583 31.823 -0.299 0.000 0.675 183 V HN 0.273 8.695 8.190 -0.024 -0.247 0.461 184 T N -2.585 111.963 114.554 -0.010 0.000 2.985 184 T HA -0.137 nan 4.350 nan 0.000 0.266 184 T C 1.757 176.530 174.700 0.121 0.000 1.076 184 T CA 3.551 65.696 62.100 0.075 0.000 1.135 184 T CB -0.476 68.375 68.868 -0.028 0.000 0.890 184 T HN -0.300 8.122 8.240 -0.030 -0.201 0.480 185 K N 2.108 122.541 120.400 0.054 0.000 2.044 185 K HA -0.094 nan 4.320 nan 0.000 0.204 185 K C 1.496 178.136 176.600 0.068 0.000 1.049 185 K CA 2.130 58.446 56.287 0.049 0.000 0.945 185 K CB -0.235 32.289 32.500 0.040 0.000 0.724 185 K HN -0.130 8.043 8.250 0.037 0.099 0.440 186 S N 0.145 115.869 115.700 0.041 0.000 2.348 186 S HA -0.302 nan 4.470 nan 0.000 0.221 186 S C 2.216 176.775 174.600 -0.068 0.000 1.033 186 S CA 3.676 61.875 58.200 -0.001 0.000 1.010 186 S CB -0.248 62.950 63.200 -0.002 0.000 0.891 186 S HN 0.390 8.617 8.310 0.041 0.107 0.442 187 K N 0.985 121.320 120.400 -0.108 0.000 2.160 187 K HA -0.291 nan 4.320 nan 0.000 0.206 187 K C 2.244 178.564 176.600 -0.466 0.000 1.047 187 K CA 2.600 58.683 56.287 -0.340 0.000 0.930 187 K CB -0.676 31.623 32.500 -0.335 0.000 0.720 187 K HN -0.532 7.688 8.250 -0.050 0.000 0.450 188 F N -1.006 118.878 119.950 -0.110 0.000 2.123 188 F HA -0.206 nan 4.527 nan 0.000 0.289 188 F C 2.175 177.867 175.800 -0.180 0.000 1.099 188 F CA 4.092 62.057 58.000 -0.058 0.000 1.234 188 F CB -0.064 38.908 39.000 -0.048 0.000 1.034 188 F HN -0.798 7.583 8.300 0.171 0.022 0.479 189 D N -1.562 118.867 120.400 0.048 0.000 2.158 189 D HA -0.325 nan 4.640 nan 0.000 0.197 189 D C 1.709 177.993 176.300 -0.025 0.000 0.995 189 D CA 3.247 57.256 54.000 0.015 0.000 0.846 189 D CB 0.036 40.870 40.800 0.057 0.000 0.941 189 D HN 0.091 8.526 8.370 0.108 0.000 0.456 190 N N -2.529 116.117 118.700 -0.090 0.000 2.413 190 N HA 0.057 nan 4.740 nan 0.000 0.193 190 N C 1.963 177.349 175.510 -0.206 0.000 1.043 190 N CA 1.631 54.614 53.050 -0.113 0.000 0.910 190 N CB 0.530 38.949 38.487 -0.114 0.000 1.111 190 N HN 0.022 8.325 8.380 -0.098 0.018 0.452 191 L N 1.544 122.556 121.223 -0.350 0.000 1.982 191 L HA -0.171 nan 4.340 nan 0.000 0.206 191 L C 1.714 178.331 176.870 -0.421 0.000 1.078 191 L CA 2.789 57.341 54.840 -0.479 0.000 0.749 191 L CB -0.742 40.838 42.059 -0.798 0.000 0.894 191 L HN -0.555 7.360 8.230 -0.377 0.089 0.436 192 Y N -3.015 117.111 120.300 -0.289 0.000 2.242 192 Y HA -0.293 nan 4.550 nan 0.000 0.291 192 Y C 2.549 178.330 175.900 -0.197 0.000 1.137 192 Y CA 2.647 60.591 58.100 -0.260 0.000 1.181 192 Y CB -1.078 37.118 38.460 -0.440 0.000 0.989 192 Y HN 0.470 8.221 8.280 -0.882 0.000 0.527 193 G N -1.620 107.041 108.800 -0.232 0.000 2.484 193 G HA2 -0.397 nan 3.960 nan 0.000 0.215 193 G HA3 -0.397 nan 3.960 nan 0.000 0.215 193 G C 0.785 175.559 174.900 -0.210 0.000 1.219 193 G CA 2.094 46.833 45.100 -0.603 0.000 0.791 193 G HN 0.409 8.540 8.290 -0.266 0.000 0.550 194 C N 2.160 121.403 119.300 -0.094 0.000 2.411 194 C HA -0.257 nan 4.460 nan 0.000 0.279 194 C C 2.149 177.161 174.990 0.036 0.000 1.288 194 C CA 2.499 61.560 59.018 0.072 0.000 1.764 194 C CB -1.874 25.896 27.740 0.050 0.000 1.974 194 C HN -0.529 7.593 8.230 -0.181 0.000 0.498 195 R N -0.205 120.298 120.500 0.005 0.000 2.091 195 R HA -0.387 nan 4.340 nan 0.000 0.238 195 R C 1.900 178.243 176.300 0.072 0.000 1.136 195 R CA 3.738 59.861 56.100 0.038 0.000 0.959 195 R CB -0.287 30.047 30.300 0.057 0.000 0.856 195 R HN -0.268 7.965 8.270 -0.036 0.015 0.437 196 E N -2.423 117.826 120.200 0.081 0.000 2.021 196 E HA -0.167 nan 4.350 nan 0.000 0.189 196 E C 2.453 179.113 176.600 0.099 0.000 0.980 196 E CA 2.454 58.912 56.400 0.097 0.000 0.803 196 E CB 0.057 29.817 29.700 0.100 0.000 0.766 196 E HN -0.573 7.820 8.360 0.067 0.007 0.449 197 S N -0.333 115.440 115.700 0.123 0.000 2.423 197 S HA -0.195 nan 4.470 nan 0.000 0.231 197 S C 1.981 176.623 174.600 0.071 0.000 1.014 197 S CA 2.607 60.878 58.200 0.119 0.000 0.965 197 S CB 0.091 63.401 63.200 0.183 0.000 0.785 197 S HN -0.117 8.277 8.310 0.141 0.000 0.495 198 L N 2.577 123.833 121.223 0.055 0.000 1.956 198 L HA -0.301 nan 4.340 nan 0.000 0.216 198 L C 1.108 177.968 176.870 -0.017 0.000 1.073 198 L CA 3.617 58.468 54.840 0.018 0.000 0.762 198 L CB -0.389 41.674 42.059 0.007 0.000 0.889 198 L HN 0.094 8.264 8.230 0.067 0.100 0.433 199 I N -4.335 116.205 120.570 -0.049 0.000 2.530 199 I HA -0.409 nan 4.170 nan 0.000 0.257 199 I C 2.438 178.500 176.117 -0.092 0.000 1.179 199 I CA 2.578 63.791 61.300 -0.145 0.000 1.440 199 I CB -1.860 35.960 38.000 -0.299 0.000 1.087 199 I HN -0.067 8.129 8.210 -0.023 0.000 0.440 200 D N 0.484 120.874 120.400 -0.018 0.000 2.097 200 D HA -0.193 nan 4.640 nan 0.000 0.197 200 D C 2.234 178.538 176.300 0.006 0.000 0.984 200 D CA 3.560 57.567 54.000 0.011 0.000 0.826 200 D CB -0.337 40.489 40.800 0.045 0.000 0.973 200 D HN -0.663 7.564 8.370 0.005 0.146 0.460 201 G N -0.296 108.510 108.800 0.010 0.000 2.480 201 G HA2 -0.311 nan 3.960 nan 0.000 0.216 201 G HA3 -0.311 nan 3.960 nan 0.000 0.216 201 G C 1.432 176.333 174.900 0.002 0.000 1.200 201 G CA 2.179 47.287 45.100 0.013 0.000 0.782 201 G HN -0.285 8.014 8.290 0.014 0.000 0.554 202 I N 1.721 122.281 120.570 -0.017 0.000 2.151 202 I HA -0.639 nan 4.170 nan 0.000 0.243 202 I C 2.135 178.234 176.117 -0.031 0.000 1.080 202 I CA 3.824 65.109 61.300 -0.025 0.000 1.339 202 I CB -0.335 37.632 38.000 -0.055 0.000 1.039 202 I HN -0.449 7.747 8.210 -0.024 0.000 0.409 203 K N -0.772 119.597 120.400 -0.053 0.000 1.985 203 K HA -0.313 nan 4.320 nan 0.000 0.210 203 K C 3.017 179.615 176.600 -0.004 0.000 1.047 203 K CA 2.876 59.141 56.287 -0.037 0.000 0.932 203 K CB -0.561 31.914 32.500 -0.043 0.000 0.716 203 K HN 0.070 8.163 8.250 -0.074 0.113 0.439 204 R N -1.287 119.217 120.500 0.006 0.000 2.117 204 R HA -0.345 nan 4.340 nan 0.000 0.243 204 R C 2.239 178.549 176.300 0.017 0.000 1.143 204 R CA 3.184 59.295 56.100 0.018 0.000 0.968 204 R CB -0.165 30.150 30.300 0.025 0.000 0.863 204 R HN 0.062 8.334 8.270 0.003 0.000 0.444 205 A N -4.482 118.347 122.820 0.016 0.000 1.975 205 A HA 0.049 nan 4.320 nan 0.000 0.215 205 A C 2.127 179.722 177.584 0.018 0.000 1.170 205 A CA 2.610 54.659 52.037 0.019 0.000 0.656 205 A CB -0.186 18.829 19.000 0.025 0.000 0.821 205 A HN -0.023 8.121 8.150 0.012 0.014 0.449 206 T N -8.012 106.550 114.554 0.013 0.000 2.964 206 T HA 0.128 nan 4.350 nan 0.000 0.250 206 T C 0.733 175.441 174.700 0.012 0.000 0.982 206 T CA -0.329 61.780 62.100 0.014 0.000 0.959 206 T CB 1.834 70.712 68.868 0.017 0.000 1.141 206 T HN -0.140 8.011 8.240 0.008 0.094 0.494 207 D N -0.233 120.171 120.400 0.008 0.000 2.870 207 D HA -0.306 nan 4.640 nan 0.000 0.228 207 D C -0.851 175.456 176.300 0.013 0.000 1.147 207 D CA 1.263 55.270 54.000 0.012 0.000 0.757 207 D CB -1.339 39.472 40.800 0.018 0.000 1.091 207 D HN 0.336 8.594 8.370 0.003 0.114 0.429 208 V N -1.370 118.545 119.914 0.002 0.000 2.649 208 V HA 0.091 nan 4.120 nan 0.000 0.292 208 V C -0.004 176.092 176.094 0.004 0.000 1.055 208 V CA -0.743 61.560 62.300 0.005 0.000 1.023 208 V CB 1.653 33.478 31.823 0.003 0.000 0.992 208 V HN -0.744 7.423 8.190 -0.007 0.019 0.480 209 M N 7.371 126.985 119.600 0.024 0.000 2.246 209 M HA 0.070 nan 4.480 nan 0.000 0.350 209 M C -0.073 176.249 176.300 0.036 0.000 1.406 209 M CA 0.876 56.205 55.300 0.048 0.000 1.089 209 M CB 0.608 33.239 32.600 0.050 0.000 1.782 209 M HN 0.315 8.620 8.290 0.025 0.000 0.457 210 I N 5.631 126.235 120.570 0.057 0.000 2.731 210 I HA -0.084 nan 4.170 nan 0.000 0.260 210 I C 0.105 176.279 176.117 0.096 0.000 1.138 210 I CA 0.548 61.869 61.300 0.035 0.000 1.461 210 I CB -0.822 37.139 38.000 -0.064 0.000 1.128 210 I HN 0.411 8.687 8.210 0.110 0.000 0.438 211 A N -1.964 120.947 122.820 0.153 0.000 2.531 211 A HA -0.228 nan 4.320 nan 0.000 0.236 211 A C 0.568 178.192 177.584 0.066 0.000 1.062 211 A CA 1.363 53.469 52.037 0.115 0.000 0.760 211 A CB -0.406 18.657 19.000 0.105 0.000 0.995 211 A HN -0.268 8.005 8.150 0.204 0.000 0.501 212 G N 2.741 111.571 108.800 0.050 0.000 2.179 212 G HA2 -0.425 nan 3.960 nan 0.000 0.260 212 G HA3 -0.425 nan 3.960 nan 0.000 0.260 212 G C -0.463 174.451 174.900 0.023 0.000 0.977 212 G CA 0.170 45.289 45.100 0.032 0.000 0.641 212 G HN 0.516 8.728 8.290 0.054 0.111 0.533 213 K N -0.306 120.108 120.400 0.023 0.000 2.123 213 K HA 0.313 nan 4.320 nan 0.000 0.248 213 K C -1.264 175.328 176.600 -0.012 0.000 0.969 213 K CA -1.387 54.903 56.287 0.005 0.000 0.882 213 K CB 2.626 35.127 32.500 0.003 0.000 1.080 213 K HN -0.658 7.545 8.250 0.035 0.068 0.441 214 V N 1.728 121.618 119.914 -0.039 0.000 2.432 214 V HA 0.337 nan 4.120 nan 0.000 0.275 214 V C -1.392 174.618 176.094 -0.141 0.000 1.043 214 V CA -0.803 61.453 62.300 -0.073 0.000 0.925 214 V CB 0.459 32.232 31.823 -0.083 0.000 0.985 214 V HN -0.110 8.334 8.190 -0.034 -0.274 0.466 215 A N 8.179 130.916 122.820 -0.138 0.000 2.311 215 A HA 0.711 nan 4.320 nan 0.000 0.306 215 A C -1.620 175.822 177.584 -0.238 0.000 1.189 215 A CA -1.637 50.284 52.037 -0.194 0.000 0.791 215 A CB 1.883 20.823 19.000 -0.099 0.000 1.172 215 A HN 0.311 8.292 8.150 -0.087 0.117 0.481 216 V N 5.722 125.388 119.914 -0.413 0.000 2.407 216 V HA 0.472 nan 4.120 nan 0.000 0.278 216 V C -1.137 174.834 176.094 -0.205 0.000 1.037 216 V CA -0.147 61.945 62.300 -0.346 0.000 0.900 216 V CB 0.913 32.408 31.823 -0.546 0.000 0.983 216 V HN 0.239 8.055 8.190 -0.624 0.000 0.459 217 V N 6.840 126.677 119.914 -0.128 0.000 2.378 217 V HA 0.589 nan 4.120 nan 0.000 0.288 217 V C -1.563 174.504 176.094 -0.044 0.000 1.016 217 V CA -2.072 60.184 62.300 -0.073 0.000 0.840 217 V CB 1.805 33.578 31.823 -0.083 0.000 0.994 217 V HN 1.031 9.140 8.190 -0.135 0.000 0.431 218 A N 7.041 129.854 122.820 -0.013 0.000 2.302 218 A HA 0.641 nan 4.320 nan 0.000 0.295 218 A C -1.198 176.390 177.584 0.006 0.000 1.235 218 A CA -1.184 50.851 52.037 -0.002 0.000 0.876 218 A CB 0.522 19.529 19.000 0.011 0.000 1.133 218 A HN 0.708 8.858 8.150 0.001 0.000 0.533 219 G N 4.375 113.186 108.800 0.018 0.000 2.712 219 G HA2 -0.279 nan 3.960 nan 0.000 0.686 219 G HA3 -0.279 nan 3.960 nan 0.000 0.686 219 G C -2.387 172.561 174.900 0.079 0.000 1.181 219 G CA -0.277 44.844 45.100 0.034 0.000 0.762 219 G HN 0.588 8.780 8.290 0.013 0.106 0.641 220 Y N 3.023 123.281 120.300 -0.070 0.000 2.685 220 Y HA 0.219 nan 4.550 nan 0.000 0.284 220 Y C -1.600 174.262 175.900 -0.064 0.000 0.944 220 Y CA -1.528 56.520 58.100 -0.087 0.000 1.107 220 Y CB 1.404 39.810 38.460 -0.090 0.000 1.188 220 Y HN 0.258 8.857 8.280 0.098 -0.259 0.635 221 G N 0.396 109.105 108.800 -0.151 0.000 2.543 221 G HA2 -0.084 nan 3.960 nan 0.000 0.267 221 G HA3 -0.084 nan 3.960 nan 0.000 0.267 221 G C -0.494 174.251 174.900 -0.259 0.000 1.406 221 G CA -1.017 43.990 45.100 -0.155 0.000 1.048 221 G HN -0.538 7.689 8.290 -0.104 0.000 0.548 222 D N -0.156 120.124 120.400 -0.199 0.000 2.116 222 D HA -0.226 nan 4.640 nan 0.000 0.193 222 D C 2.428 178.585 176.300 -0.238 0.000 0.998 222 D CA 3.401 57.260 54.000 -0.235 0.000 0.836 222 D CB -0.510 40.175 40.800 -0.192 0.000 0.951 222 D HN 0.419 8.703 8.370 -0.143 0.000 0.449 223 V N -1.642 118.171 119.914 -0.169 0.000 2.358 223 V HA -0.262 nan 4.120 nan 0.000 0.246 223 V C 2.181 178.183 176.094 -0.153 0.000 1.047 223 V CA 4.465 66.686 62.300 -0.131 0.000 1.035 223 V CB -0.734 31.046 31.823 -0.071 0.000 0.658 223 V HN 0.202 8.310 8.190 -0.137 0.000 0.452 224 G N -1.420 107.269 108.800 -0.184 0.000 2.408 224 G HA2 -0.333 nan 3.960 nan 0.000 0.217 224 G HA3 -0.333 nan 3.960 nan 0.000 0.217 224 G C 1.183 175.885 174.900 -0.330 0.000 1.150 224 G CA 2.088 47.073 45.100 -0.192 0.000 0.776 224 G HN -0.041 8.142 8.290 -0.179 0.000 0.542 225 K N 2.588 122.652 120.400 -0.560 0.000 2.002 225 K HA -0.373 nan 4.320 nan 0.000 0.209 225 K C 2.385 178.831 176.600 -0.256 0.000 1.048 225 K CA 3.577 59.486 56.287 -0.629 0.000 0.930 225 K CB -0.130 32.001 32.500 -0.616 0.000 0.714 225 K HN 0.339 8.274 8.250 -0.526 0.000 0.438 226 G N -1.658 107.011 108.800 -0.218 0.000 2.446 226 G HA2 -0.331 nan 3.960 nan 0.000 0.217 226 G HA3 -0.331 nan 3.960 nan 0.000 0.217 226 G C 1.171 176.037 174.900 -0.057 0.000 1.168 226 G CA 2.218 47.245 45.100 -0.121 0.000 0.771 226 G HN -0.178 7.953 8.290 -0.264 0.000 0.551 227 C N 2.553 121.809 119.300 -0.074 0.000 2.429 227 C HA -0.259 nan 4.460 nan 0.000 0.277 227 C C 2.213 177.188 174.990 -0.025 0.000 1.262 227 C CA 3.643 62.638 59.018 -0.039 0.000 1.733 227 C CB -2.070 25.642 27.740 -0.048 0.000 2.010 227 C HN 0.204 8.369 8.230 -0.109 0.000 0.483 228 A N -0.380 122.404 122.820 -0.060 0.000 1.877 228 A HA -0.378 nan 4.320 nan 0.000 0.216 228 A C 1.655 179.306 177.584 0.113 0.000 1.186 228 A CA 3.360 55.359 52.037 -0.062 0.000 0.620 228 A CB -1.027 17.788 19.000 -0.307 0.000 0.822 228 A HN 0.445 8.427 8.150 -0.102 0.108 0.443 229 Q N -0.611 119.269 119.800 0.132 0.000 2.096 229 Q HA -0.410 nan 4.340 nan 0.000 0.204 229 Q C 2.178 178.268 176.000 0.150 0.000 0.982 229 Q CA 3.116 59.026 55.803 0.179 0.000 0.850 229 Q CB -0.074 28.738 28.738 0.123 0.000 0.901 229 Q HN 0.039 8.345 8.270 0.059 0.000 0.422 230 A N -0.315 122.575 122.820 0.116 0.000 1.851 230 A HA -0.303 nan 4.320 nan 0.000 0.216 230 A C 2.324 180.027 177.584 0.198 0.000 1.195 230 A CA 3.001 55.125 52.037 0.145 0.000 0.622 230 A CB -0.741 18.315 19.000 0.094 0.000 0.831 230 A HN -0.193 7.999 8.150 0.079 0.006 0.444 231 L N -2.554 118.747 121.223 0.130 0.000 2.012 231 L HA -0.436 nan 4.340 nan 0.000 0.210 231 L C 2.668 179.650 176.870 0.187 0.000 1.073 231 L CA 2.963 57.880 54.840 0.128 0.000 0.748 231 L CB -0.393 41.698 42.059 0.054 0.000 0.891 231 L HN -0.318 7.964 8.230 0.086 0.000 0.431 232 R N -0.539 120.073 120.500 0.186 0.000 2.117 232 R HA -0.339 nan 4.340 nan 0.000 0.243 232 R C 2.899 179.281 176.300 0.137 0.000 1.143 232 R CA 3.341 59.548 56.100 0.178 0.000 0.968 232 R CB -0.265 30.175 30.300 0.234 0.000 0.863 232 R HN 0.417 8.798 8.270 0.186 0.000 0.444 233 G N -2.786 106.103 108.800 0.149 0.000 2.598 233 G HA2 -0.135 nan 3.960 nan 0.000 0.215 233 G HA3 -0.135 nan 3.960 nan 0.000 0.215 233 G C 0.249 175.163 174.900 0.023 0.000 1.131 233 G CA 1.020 46.167 45.100 0.078 0.000 0.785 233 G HN -0.212 8.081 8.290 0.177 0.103 0.539 234 F N 0.215 120.182 119.950 0.029 0.000 2.754 234 F HA 0.137 nan 4.527 nan 0.000 0.297 234 F C -0.631 175.180 175.800 0.018 0.000 1.122 234 F CA 0.834 58.847 58.000 0.022 0.000 1.400 234 F CB 1.144 40.158 39.000 0.023 0.000 1.117 234 F HN -0.473 7.838 8.300 0.329 0.187 0.587 235 G N -3.378 105.514 108.800 0.154 0.000 2.154 235 G HA2 -0.341 nan 3.960 nan 0.000 0.186 235 G HA3 -0.341 nan 3.960 nan 0.000 0.186 235 G C -1.404 173.550 174.900 0.090 0.000 1.000 235 G CA -0.251 44.905 45.100 0.093 0.000 0.664 235 G HN -0.776 7.454 8.290 0.151 0.150 0.513 236 A N 0.609 123.493 122.820 0.107 0.000 2.252 236 A HA 0.648 nan 4.320 nan 0.000 0.305 236 A C -1.525 176.096 177.584 0.061 0.000 1.097 236 A CA -1.531 50.549 52.037 0.070 0.000 0.849 236 A CB 1.391 20.427 19.000 0.059 0.000 1.142 236 A HN -0.664 7.572 8.150 0.142 0.000 0.499 237 R N 0.598 121.119 120.500 0.036 0.000 2.278 237 R HA 0.239 nan 4.340 nan 0.000 0.322 237 R C -1.238 175.084 176.300 0.036 0.000 1.058 237 R CA -1.234 54.888 56.100 0.037 0.000 0.991 237 R CB 0.718 31.026 30.300 0.012 0.000 1.140 237 R HN 0.502 8.676 8.270 0.019 0.108 0.518 238 V N 8.256 128.233 119.914 0.105 0.000 2.470 238 V HA 0.111 nan 4.120 nan 0.000 0.276 238 V C -1.197 174.940 176.094 0.071 0.000 1.040 238 V CA 0.514 62.862 62.300 0.081 0.000 1.008 238 V CB 0.098 32.001 31.823 0.133 0.000 0.990 238 V HN 0.506 8.794 8.190 0.163 0.000 0.477 239 I N 7.020 127.565 120.570 -0.042 0.000 2.412 239 I HA 0.549 nan 4.170 nan 0.000 0.296 239 I C -1.084 174.971 176.117 -0.103 0.000 0.987 239 I CA -0.878 60.389 61.300 -0.054 0.000 1.180 239 I CB 2.084 40.035 38.000 -0.082 0.000 1.340 239 I HN 0.395 8.440 8.210 -0.094 0.109 0.455 240 I N 6.294 126.800 120.570 -0.106 0.000 2.648 240 I HA 0.763 nan 4.170 nan 0.000 0.304 240 I C -1.430 174.636 176.117 -0.085 0.000 1.009 240 I CA -2.589 58.635 61.300 -0.126 0.000 1.114 240 I CB 2.309 40.178 38.000 -0.219 0.000 1.293 240 I HN 0.692 8.856 8.210 -0.076 0.000 0.449 241 T N 1.619 116.139 114.554 -0.057 0.000 2.861 241 T HA 0.614 nan 4.350 nan 0.000 0.287 241 T C -1.547 173.142 174.700 -0.019 0.000 1.003 241 T CA -2.084 59.991 62.100 -0.042 0.000 0.977 241 T CB 2.734 71.577 68.868 -0.042 0.000 0.996 241 T HN 0.358 8.571 8.240 -0.045 0.000 0.448 242 E N 3.806 123.996 120.200 -0.015 0.000 2.413 242 E HA 0.389 nan 4.350 nan 0.000 0.277 242 E C -1.135 175.466 176.600 0.000 0.000 0.958 242 E CA -0.529 55.873 56.400 0.003 0.000 0.779 242 E CB 4.341 34.048 29.700 0.012 0.000 1.278 242 E HN 0.490 8.836 8.360 -0.023 0.000 0.456 243 I N -3.333 117.240 120.570 0.007 0.000 4.187 243 I HA 0.386 nan 4.170 nan 0.000 0.326 243 I C 0.231 176.350 176.117 0.004 0.000 1.302 243 I CA -0.069 61.233 61.300 0.003 0.000 1.196 243 I CB 1.214 39.215 38.000 0.002 0.000 1.095 243 I HN -0.118 8.100 8.210 0.013 0.000 0.411 244 D N 3.153 123.559 120.400 0.011 0.000 2.249 244 D HA 0.364 nan 4.640 nan 0.000 0.246 244 D C -0.790 175.517 176.300 0.011 0.000 1.114 244 D CA -2.994 51.013 54.000 0.012 0.000 0.854 244 D CB 1.821 42.633 40.800 0.020 0.000 1.132 244 D HN -0.506 8.181 8.370 0.017 -0.306 0.461 245 P HA -0.115 nan 4.420 nan 0.000 0.217 245 P C 1.464 178.768 177.300 0.006 0.000 1.150 245 P CA 1.867 64.967 63.100 0.001 0.000 0.832 245 P CB 0.602 32.301 31.700 -0.003 0.000 0.787 246 I N -1.836 118.742 120.570 0.013 0.000 2.252 246 I HA -0.506 nan 4.170 nan 0.000 0.245 246 I C 1.438 177.581 176.117 0.044 0.000 1.102 246 I CA 4.032 65.344 61.300 0.020 0.000 1.385 246 I CB -0.609 37.402 38.000 0.017 0.000 1.064 246 I HN 0.080 8.567 8.210 0.011 -0.270 0.414 247 N N -0.322 118.416 118.700 0.063 0.000 2.270 247 N HA -0.254 nan 4.740 nan 0.000 0.181 247 N C 1.601 177.165 175.510 0.090 0.000 1.016 247 N CA 3.679 56.811 53.050 0.137 0.000 0.870 247 N CB -0.680 37.895 38.487 0.146 0.000 0.979 247 N HN -0.461 7.948 8.380 0.048 0.000 0.431 248 A N 0.635 123.464 122.820 0.016 0.000 1.930 248 A HA -0.162 nan 4.320 nan 0.000 0.217 248 A C 1.872 179.415 177.584 -0.069 0.000 1.175 248 A CA 2.845 54.852 52.037 -0.050 0.000 0.627 248 A CB -0.531 18.450 19.000 -0.031 0.000 0.815 248 A HN -0.144 8.003 8.150 0.024 0.016 0.443 249 L N -1.142 120.065 121.223 -0.027 0.000 2.017 249 L HA -0.383 nan 4.340 nan 0.000 0.208 249 L C 1.753 178.608 176.870 -0.024 0.000 1.073 249 L CA 2.983 57.809 54.840 -0.023 0.000 0.745 249 L CB -0.375 41.681 42.059 -0.005 0.000 0.894 249 L HN -0.074 8.068 8.230 -0.007 0.083 0.432 250 Q N -1.834 117.974 119.800 0.013 0.000 2.096 250 Q HA -0.484 nan 4.340 nan 0.000 0.204 250 Q C 2.555 178.534 176.000 -0.035 0.000 0.982 250 Q CA 3.225 59.070 55.803 0.069 0.000 0.850 250 Q CB -0.382 28.496 28.738 0.233 0.000 0.901 250 Q HN -0.228 8.064 8.270 0.036 0.000 0.422 251 A N -1.333 121.272 122.820 -0.358 0.000 1.877 251 A HA -0.271 nan 4.320 nan 0.000 0.216 251 A C 1.884 179.396 177.584 -0.120 0.000 1.186 251 A CA 2.756 54.440 52.037 -0.588 0.000 0.620 251 A CB -0.887 17.572 19.000 -0.901 0.000 0.822 251 A HN -0.436 7.520 8.150 -0.323 0.000 0.443 252 A N -0.946 121.806 122.820 -0.113 0.000 1.883 252 A HA -0.293 nan 4.320 nan 0.000 0.217 252 A C 2.582 180.132 177.584 -0.057 0.000 1.186 252 A CA 2.964 54.963 52.037 -0.064 0.000 0.624 252 A CB -0.601 18.366 19.000 -0.055 0.000 0.822 252 A HN -0.259 7.807 8.150 -0.140 0.000 0.444 253 M N -3.194 116.381 119.600 -0.041 0.000 2.435 253 M HA -0.202 nan 4.480 nan 0.000 0.262 253 M C 0.937 177.212 176.300 -0.041 0.000 1.065 253 M CA 1.158 56.440 55.300 -0.029 0.000 1.076 253 M CB -1.360 31.237 32.600 -0.005 0.000 1.403 253 M HN 0.244 8.510 8.290 -0.039 0.000 0.454 254 E N -2.984 117.185 120.200 -0.052 0.000 2.474 254 E HA 0.129 nan 4.350 nan 0.000 0.195 254 E C 0.218 176.629 176.600 -0.314 0.000 1.039 254 E CA -0.748 55.582 56.400 -0.117 0.000 0.881 254 E CB 0.640 30.345 29.700 0.009 0.000 0.970 254 E HN -0.558 7.610 8.360 -0.033 0.172 0.486 255 G N -2.389 106.262 108.800 -0.247 0.000 2.179 255 G HA2 -0.367 nan 3.960 nan 0.000 0.220 255 G HA3 -0.367 nan 3.960 nan 0.000 0.220 255 G C -0.368 174.361 174.900 -0.286 0.000 0.990 255 G CA 0.111 45.051 45.100 -0.266 0.000 0.646 255 G HN -0.119 7.895 8.290 -0.150 0.186 0.517 256 Y N -0.143 120.100 120.300 -0.095 0.000 2.308 256 Y HA -0.091 nan 4.550 nan 0.000 0.329 256 Y C -0.702 175.131 175.900 -0.111 0.000 1.111 256 Y CA -0.354 57.683 58.100 -0.105 0.000 1.179 256 Y CB 0.737 39.104 38.460 -0.156 0.000 1.201 256 Y HN -0.523 7.657 8.280 -0.167 0.000 0.483 257 E N 3.457 123.700 120.200 0.071 0.000 2.392 257 E HA 0.016 nan 4.350 nan 0.000 0.264 257 E C -1.679 174.915 176.600 -0.009 0.000 1.024 257 E CA 0.178 56.584 56.400 0.009 0.000 0.903 257 E CB 1.632 31.330 29.700 -0.002 0.000 0.963 257 E HN 0.386 8.799 8.360 0.089 0.000 0.432 258 V N 4.607 124.501 119.914 -0.033 0.000 2.409 258 V HA 0.521 nan 4.120 nan 0.000 0.290 258 V C -0.329 175.739 176.094 -0.043 0.000 1.017 258 V CA -0.873 61.395 62.300 -0.054 0.000 0.841 258 V CB 0.396 32.176 31.823 -0.072 0.000 1.003 258 V HN 0.293 8.465 8.190 -0.031 0.000 0.426 259 T N 6.544 121.072 114.554 -0.045 0.000 2.598 259 T HA 0.564 nan 4.350 nan 0.000 0.254 259 T C -1.708 172.968 174.700 -0.040 0.000 0.889 259 T CA -1.495 60.583 62.100 -0.038 0.000 1.091 259 T CB 1.769 70.615 68.868 -0.035 0.000 1.437 259 T HN 0.317 8.526 8.240 -0.052 0.000 0.542 260 T N -3.867 110.664 114.554 -0.038 0.000 2.943 260 T HA 0.377 nan 4.350 nan 0.000 0.284 260 T C 1.087 175.744 174.700 -0.071 0.000 1.015 260 T CA -1.982 60.093 62.100 -0.041 0.000 1.042 260 T CB 1.670 70.523 68.868 -0.024 0.000 1.055 260 T HN -0.307 7.913 8.240 -0.033 0.000 0.500 261 M N 1.366 120.899 119.600 -0.112 0.000 2.213 261 M HA -0.149 nan 4.480 nan 0.000 0.263 261 M C 0.826 176.946 176.300 -0.300 0.000 1.062 261 M CA 2.147 57.294 55.300 -0.255 0.000 1.105 261 M CB -0.635 31.717 32.600 -0.414 0.000 1.385 261 M HN 0.560 8.800 8.290 -0.083 0.000 0.417 262 D N -3.304 117.026 120.400 -0.118 0.000 2.228 262 D HA -0.268 nan 4.640 nan 0.000 0.203 262 D C 1.695 177.986 176.300 -0.016 0.000 0.988 262 D CA 3.013 57.016 54.000 0.004 0.000 0.864 262 D CB -0.876 39.952 40.800 0.048 0.000 0.928 262 D HN 0.492 8.811 8.370 -0.059 0.016 0.469 263 E N -2.000 118.179 120.200 -0.035 0.000 2.110 263 E HA 0.083 nan 4.350 nan 0.000 0.193 263 E C 1.853 178.445 176.600 -0.014 0.000 0.950 263 E CA 0.944 57.334 56.400 -0.017 0.000 0.840 263 E CB 0.687 30.377 29.700 -0.017 0.000 0.809 263 E HN -0.586 7.578 8.360 -0.052 0.165 0.465 264 A N 0.611 123.412 122.820 -0.032 0.000 2.032 264 A HA -0.276 nan 4.320 nan 0.000 0.221 264 A C 1.954 179.586 177.584 0.081 0.000 1.165 264 A CA 3.023 55.049 52.037 -0.018 0.000 0.645 264 A CB -0.690 18.276 19.000 -0.056 0.000 0.807 264 A HN 0.472 8.591 8.150 -0.051 0.000 0.453 265 C N -5.280 114.072 119.300 0.086 0.000 2.422 265 C HA -0.288 nan 4.460 nan 0.000 0.279 265 C C 1.674 176.782 174.990 0.196 0.000 1.305 265 C CA 1.752 60.882 59.018 0.185 0.000 1.757 265 C CB -1.512 26.166 27.740 -0.102 0.000 1.962 265 C HN 0.166 8.341 8.230 -0.038 0.032 0.499 266 K N -1.486 118.975 120.400 0.103 0.000 2.439 266 K HA -0.174 nan 4.320 nan 0.000 0.197 266 K C 1.353 178.013 176.600 0.100 0.000 1.041 266 K CA 1.948 58.292 56.287 0.095 0.000 0.970 266 K CB -0.307 32.227 32.500 0.056 0.000 0.773 266 K HN -0.373 7.794 8.250 0.061 0.119 0.479 267 E N -1.462 118.793 120.200 0.091 0.000 2.391 267 E HA 0.101 nan 4.350 nan 0.000 0.206 267 E C 0.084 176.689 176.600 0.008 0.000 0.851 267 E CA -0.193 56.232 56.400 0.042 0.000 1.059 267 E CB 2.390 32.089 29.700 -0.001 0.000 1.065 267 E HN -0.256 7.968 8.360 0.103 0.198 0.512 268 G N -1.038 107.732 108.800 -0.049 0.000 2.432 268 G HA2 -0.139 nan 3.960 nan 0.000 0.239 268 G HA3 -0.139 nan 3.960 nan 0.000 0.239 268 G C -1.163 173.707 174.900 -0.050 0.000 1.291 268 G CA 0.576 45.467 45.100 -0.347 0.000 0.863 268 G HN -0.037 8.272 8.290 0.031 0.000 0.560 269 N N 2.898 121.534 118.700 -0.107 0.000 2.414 269 N HA 0.276 nan 4.740 nan 0.000 0.177 269 N C -0.331 175.225 175.510 0.076 0.000 1.062 269 N CA 1.256 54.330 53.050 0.041 0.000 0.890 269 N CB 2.544 41.034 38.487 0.004 0.000 1.070 269 N HN 0.421 8.560 8.380 -0.215 0.113 0.454 270 I N -1.687 118.839 120.570 -0.073 0.000 2.686 270 I HA 0.468 nan 4.170 nan 0.000 0.295 270 I C -2.285 173.735 176.117 -0.162 0.000 1.114 270 I CA -0.443 60.870 61.300 0.021 0.000 1.038 270 I CB 4.164 42.148 38.000 -0.027 0.000 1.238 270 I HN -0.574 7.472 8.210 -0.274 0.000 0.420 271 F N 4.155 124.109 119.950 0.006 0.000 2.547 271 F HA 0.656 nan 4.527 nan 0.000 0.316 271 F C -1.654 174.145 175.800 -0.003 0.000 1.121 271 F CA -1.427 56.568 58.000 -0.009 0.000 0.911 271 F CB 3.043 42.035 39.000 -0.013 0.000 1.179 271 F HN 0.391 8.905 8.300 0.358 0.000 0.443 272 V N 3.359 123.335 119.914 0.103 0.000 2.531 272 V HA 0.629 nan 4.120 nan 0.000 0.301 272 V C -1.368 174.758 176.094 0.054 0.000 1.034 272 V CA -1.320 61.018 62.300 0.065 0.000 0.865 272 V CB 2.852 34.682 31.823 0.013 0.000 0.995 272 V HN 0.742 8.956 8.190 0.039 0.000 0.424 273 T N 3.227 117.815 114.554 0.056 0.000 2.867 273 T HA 0.600 nan 4.350 nan 0.000 0.282 273 T C -0.041 174.672 174.700 0.022 0.000 1.000 273 T CA -1.845 60.280 62.100 0.043 0.000 1.042 273 T CB 2.018 70.919 68.868 0.055 0.000 0.973 273 T HN -0.037 8.241 8.240 0.063 0.000 0.465 274 T N 4.649 119.211 114.554 0.013 0.000 3.041 274 T HA 0.374 nan 4.350 nan 0.000 0.276 274 T C 0.925 175.630 174.700 0.007 0.000 0.948 274 T CA 1.303 63.402 62.100 -0.002 0.000 0.885 274 T CB 0.609 69.462 68.868 -0.024 0.000 1.175 274 T HN 0.402 8.651 8.240 0.015 0.000 0.529 275 T N 2.183 116.748 114.554 0.019 0.000 2.597 275 T HA -0.233 nan 4.350 nan 0.000 0.267 275 T C 1.607 176.324 174.700 0.029 0.000 1.053 275 T CA 2.194 64.308 62.100 0.023 0.000 1.165 275 T CB -0.032 68.852 68.868 0.027 0.000 0.863 275 T HN -0.021 8.284 8.240 0.022 -0.051 0.427 276 G N -0.559 108.273 108.800 0.054 0.000 2.132 276 G HA2 -0.283 nan 3.960 nan 0.000 0.234 276 G HA3 -0.283 nan 3.960 nan 0.000 0.234 276 G C -1.094 173.809 174.900 0.005 0.000 0.989 276 G CA -0.292 44.845 45.100 0.061 0.000 0.676 276 G HN -0.103 8.734 8.290 0.065 -0.508 0.522 277 C N -0.682 118.633 119.300 0.024 0.000 2.889 277 C HA 0.442 nan 4.460 nan 0.000 0.307 277 C C -0.672 174.338 174.990 0.032 0.000 1.251 277 C CA -2.235 56.786 59.018 0.005 0.000 1.593 277 C CB 2.142 29.884 27.740 0.003 0.000 2.104 277 C HN -0.445 7.781 8.230 0.045 0.031 0.476 278 V N -2.717 117.211 119.914 0.025 0.000 3.185 278 V HA 0.272 nan 4.120 nan 0.000 0.305 278 V C -0.281 175.831 176.094 0.030 0.000 1.090 278 V CA -0.172 62.153 62.300 0.041 0.000 1.107 278 V CB 0.356 32.198 31.823 0.033 0.000 1.061 278 V HN 0.196 8.389 8.190 0.005 0.000 0.480 279 D N -2.100 118.318 120.400 0.031 0.000 2.708 279 D HA -0.383 nan 4.640 nan 0.000 0.236 279 D C -0.193 176.116 176.300 0.014 0.000 1.146 279 D CA 1.571 55.577 54.000 0.009 0.000 0.662 279 D CB -1.880 38.917 40.800 -0.005 0.000 1.059 279 D HN 0.149 8.546 8.370 0.044 0.000 0.428 280 I N -3.815 116.771 120.570 0.028 0.000 2.193 280 I HA -0.244 nan 4.170 nan 0.000 0.240 280 I C 0.812 176.962 176.117 0.056 0.000 1.084 280 I CA 1.039 62.360 61.300 0.036 0.000 1.365 280 I CB 0.742 38.761 38.000 0.031 0.000 1.064 280 I HN -0.251 7.980 8.210 0.034 0.000 0.410 281 I N -0.956 119.614 120.570 -0.001 0.000 2.382 281 I HA 0.063 nan 4.170 nan 0.000 0.285 281 I C -1.828 174.112 176.117 -0.295 0.000 1.007 281 I CA -0.836 60.418 61.300 -0.075 0.000 1.142 281 I CB 0.443 38.285 38.000 -0.263 0.000 1.289 281 I HN -0.535 7.672 8.210 -0.005 0.000 0.453 282 L N 4.682 125.606 121.223 -0.497 0.000 2.421 282 L HA 0.650 nan 4.340 nan 0.000 0.267 282 L C 1.242 177.563 176.870 -0.914 0.000 1.036 282 L CA -2.789 51.681 54.840 -0.616 0.000 0.829 282 L CB 0.699 42.396 42.059 -0.604 0.000 1.437 282 L HN 0.108 8.050 8.230 -0.480 0.000 0.488 283 G N -0.174 108.039 108.800 -0.979 0.000 2.446 283 G HA2 -0.370 nan 3.960 nan 0.000 0.217 283 G HA3 -0.370 nan 3.960 nan 0.000 0.217 283 G C 1.264 175.496 174.900 -1.113 0.000 1.168 283 G CA 2.594 46.542 45.100 -1.921 0.000 0.771 283 G HN 0.432 8.298 8.290 -0.706 0.000 0.551 284 R N 0.542 120.611 120.500 -0.718 0.000 2.211 284 R HA -0.317 nan 4.340 nan 0.000 0.240 284 R C 1.045 177.137 176.300 -0.347 0.000 1.144 284 R CA 2.228 58.065 56.100 -0.439 0.000 0.992 284 R CB -1.252 28.840 30.300 -0.345 0.000 0.869 284 R HN 0.275 8.138 8.270 -0.679 0.000 0.462 285 H N -1.128 117.656 119.070 -0.477 0.000 2.355 285 H HA -0.085 nan 4.556 nan 0.000 0.303 285 H C 2.205 177.270 175.328 -0.438 0.000 1.061 285 H CA 1.870 57.640 56.048 -0.465 0.000 1.368 285 H CB 0.607 30.002 29.762 -0.613 0.000 1.412 285 H HN -0.531 7.089 8.280 -0.808 0.175 0.523 286 F N -1.495 118.262 119.950 -0.321 0.000 2.192 286 F HA -0.400 nan 4.527 nan 0.000 0.301 286 F C 1.057 176.768 175.800 -0.149 0.000 1.079 286 F CA 3.130 60.956 58.000 -0.289 0.000 1.303 286 F CB -0.583 38.173 39.000 -0.407 0.000 1.024 286 F HN -0.515 7.288 8.300 -0.829 0.000 0.494 287 E N -3.706 116.485 120.200 -0.015 0.000 2.268 287 E HA -0.254 nan 4.350 nan 0.000 0.195 287 E C 1.769 178.394 176.600 0.042 0.000 0.995 287 E CA 1.911 58.339 56.400 0.046 0.000 0.836 287 E CB -0.143 29.567 29.700 0.016 0.000 0.763 287 E HN -0.737 7.495 8.360 -0.181 0.019 0.491 288 Q N -2.742 117.074 119.800 0.026 0.000 2.204 288 Q HA -0.085 nan 4.340 nan 0.000 0.198 288 Q C 0.882 176.947 176.000 0.108 0.000 0.946 288 Q CA 0.199 56.032 55.803 0.050 0.000 0.859 288 Q CB 0.757 29.515 28.738 0.033 0.000 0.946 288 Q HN -0.262 7.829 8.270 -0.014 0.171 0.474 289 M N 0.334 119.994 119.600 0.099 0.000 2.219 289 M HA -0.331 nan 4.480 nan 0.000 0.340 289 M C -0.513 175.932 176.300 0.242 0.000 1.135 289 M CA 1.672 57.059 55.300 0.145 0.000 0.976 289 M CB -0.101 32.531 32.600 0.053 0.000 1.713 289 M HN -0.489 7.825 8.290 0.041 0.000 0.457 290 K N 2.017 122.533 120.400 0.194 0.000 2.276 290 K HA -0.207 nan 4.320 nan 0.000 0.259 290 K C -0.721 175.834 176.600 -0.074 0.000 1.001 290 K CA 0.389 56.734 56.287 0.097 0.000 0.927 290 K CB 0.346 32.892 32.500 0.077 0.000 0.969 290 K HN 0.309 8.688 8.250 0.215 0.000 0.490 291 D N 0.737 120.835 120.400 -0.503 0.000 2.487 291 D HA -0.277 nan 4.640 nan 0.000 0.243 291 D C -0.423 175.787 176.300 -0.150 0.000 1.154 291 D CA 2.000 55.669 54.000 -0.551 0.000 0.876 291 D CB 0.010 40.416 40.800 -0.657 0.000 1.161 291 D HN -0.350 7.698 8.370 -0.537 0.000 0.478 292 D N 2.478 122.852 120.400 -0.044 0.000 2.907 292 D HA -0.482 nan 4.640 nan 0.000 0.226 292 D C -1.097 175.241 176.300 0.064 0.000 1.141 292 D CA 0.578 54.591 54.000 0.022 0.000 0.779 292 D CB -0.865 39.938 40.800 0.006 0.000 1.095 292 D HN -0.148 8.109 8.370 -0.025 0.098 0.430 293 A N -3.023 119.857 122.820 0.100 0.000 2.483 293 A HA 0.038 nan 4.320 nan 0.000 0.238 293 A C -1.322 176.366 177.584 0.173 0.000 1.070 293 A CA 0.527 52.671 52.037 0.178 0.000 0.770 293 A CB 1.201 20.351 19.000 0.249 0.000 1.008 293 A HN -0.534 7.669 8.150 0.089 0.000 0.497 294 I N 1.516 122.207 120.570 0.201 0.000 2.321 294 I HA 0.440 nan 4.170 nan 0.000 0.291 294 I C -1.446 174.810 176.117 0.232 0.000 0.998 294 I CA -0.254 61.146 61.300 0.167 0.000 1.227 294 I CB 1.121 39.190 38.000 0.114 0.000 1.368 294 I HN -0.181 8.162 8.210 0.222 0.000 0.466 295 V N 6.632 126.663 119.914 0.195 0.000 2.448 295 V HA 0.745 nan 4.120 nan 0.000 0.295 295 V C -1.620 174.571 176.094 0.161 0.000 1.025 295 V CA -1.926 60.499 62.300 0.208 0.000 0.859 295 V CB 1.130 33.064 31.823 0.185 0.000 0.988 295 V HN 0.820 9.107 8.190 0.162 0.000 0.431 296 C N 3.929 123.319 119.300 0.150 0.000 3.323 296 C HA 0.880 nan 4.460 nan 0.000 0.324 296 C C -2.412 172.634 174.990 0.092 0.000 1.428 296 C CA -2.691 56.392 59.018 0.108 0.000 1.368 296 C CB 3.767 31.557 27.740 0.083 0.000 1.731 296 C HN 0.807 9.143 8.230 0.176 0.000 0.455 297 N N -0.932 117.809 118.700 0.068 0.000 2.242 297 N HA 0.660 nan 4.740 nan 0.000 0.292 297 N C -2.179 173.336 175.510 0.009 0.000 1.125 297 N CA -0.721 52.357 53.050 0.047 0.000 0.783 297 N CB 3.427 41.950 38.487 0.059 0.000 1.558 297 N HN 0.431 8.850 8.380 0.065 0.000 0.472 298 I N 2.888 123.451 120.570 -0.011 0.000 4.453 298 I HA 0.336 nan 4.170 nan 0.000 0.342 298 I C -1.484 174.592 176.117 -0.069 0.000 1.341 298 I CA -2.099 59.173 61.300 -0.046 0.000 1.217 298 I CB 1.503 39.492 38.000 -0.019 0.000 1.545 298 I HN 0.206 8.416 8.210 0.001 0.000 0.557 299 G N -0.025 108.747 108.800 -0.046 0.000 3.199 299 G HA2 0.058 nan 3.960 nan 0.000 0.184 299 G HA3 0.058 nan 3.960 nan 0.000 0.184 299 G C -1.589 173.281 174.900 -0.051 0.000 1.974 299 G CA -0.070 45.015 45.100 -0.024 0.000 0.885 299 G HN -0.216 8.461 8.290 -0.022 -0.401 0.575 300 H N 3.005 122.041 119.070 -0.057 0.000 2.548 300 H HA 0.064 nan 4.556 nan 0.000 0.331 300 H C -0.177 175.156 175.328 0.008 0.000 1.093 300 H CA -0.584 55.445 56.048 -0.032 0.000 1.367 300 H CB 1.592 31.379 29.762 0.041 0.000 1.455 300 H HN -0.112 8.601 8.280 0.141 -0.348 0.519 301 F N 4.742 124.347 119.950 -0.575 0.000 2.580 301 F HA -0.380 nan 4.527 nan 0.000 0.398 301 F C 0.845 176.533 175.800 -0.187 0.000 1.023 301 F CA 1.000 58.799 58.000 -0.335 0.000 1.188 301 F CB -0.295 38.505 39.000 -0.332 0.000 1.005 301 F HN 0.459 8.289 8.300 -0.784 0.000 0.546 302 D N 2.729 123.238 120.400 0.182 0.000 2.902 302 D HA -0.572 nan 4.640 nan 0.000 0.189 302 D C 0.685 177.081 176.300 0.159 0.000 1.160 302 D CA 2.393 56.485 54.000 0.153 0.000 0.965 302 D CB -1.691 39.189 40.800 0.134 0.000 0.993 302 D HN 0.252 8.750 8.370 0.213 0.000 0.396 303 V N -6.448 113.599 119.914 0.222 0.000 3.078 303 V HA -0.198 nan 4.120 nan 0.000 0.265 303 V C 0.779 176.961 176.094 0.147 0.000 1.122 303 V CA 1.907 64.331 62.300 0.206 0.000 1.141 303 V CB -0.996 30.984 31.823 0.261 0.000 0.735 303 V HN -0.032 8.249 8.190 0.286 0.081 0.498 304 E N 0.102 120.386 120.200 0.140 0.000 2.051 304 E HA -0.211 nan 4.350 nan 0.000 0.189 304 E C 0.404 177.053 176.600 0.081 0.000 0.979 304 E CA 2.383 58.843 56.400 0.099 0.000 0.803 304 E CB 0.397 30.153 29.700 0.092 0.000 0.761 304 E HN -0.125 8.268 8.360 0.156 0.061 0.451 305 I N -1.984 118.646 120.570 0.100 0.000 2.440 305 I HA 0.069 nan 4.170 nan 0.000 0.294 305 I C -0.844 175.358 176.117 0.142 0.000 0.995 305 I CA -0.792 60.576 61.300 0.112 0.000 1.306 305 I CB 1.225 39.319 38.000 0.157 0.000 1.407 305 I HN -0.825 7.452 8.210 0.111 0.000 0.501 306 D N 7.612 128.113 120.400 0.168 0.000 2.551 306 D HA 0.038 nan 4.640 nan 0.000 0.223 306 D C 0.475 176.940 176.300 0.275 0.000 1.144 306 D CA -0.783 53.341 54.000 0.206 0.000 1.025 306 D CB -1.104 39.806 40.800 0.182 0.000 1.085 306 D HN 0.185 8.629 8.370 0.123 0.000 0.506 307 V N 3.549 123.564 119.914 0.169 0.000 2.427 307 V HA -0.355 nan 4.120 nan 0.000 0.248 307 V C 1.548 177.685 176.094 0.073 0.000 1.051 307 V CA 3.435 65.785 62.300 0.084 0.000 1.048 307 V CB -0.466 31.403 31.823 0.076 0.000 0.666 307 V HN -0.257 7.988 8.190 0.149 0.034 0.456 308 K N -0.670 119.795 120.400 0.109 0.000 2.113 308 K HA -0.346 nan 4.320 nan 0.000 0.208 308 K C 1.833 178.483 176.600 0.085 0.000 1.047 308 K CA 3.217 59.554 56.287 0.084 0.000 0.928 308 K CB -0.639 31.912 32.500 0.085 0.000 0.716 308 K HN 0.011 8.333 8.250 0.120 0.000 0.446 309 W N 0.351 121.645 121.300 -0.011 0.000 2.355 309 W HA -0.342 nan 4.660 nan 0.000 0.309 309 W C 1.622 178.075 176.519 -0.110 0.000 1.206 309 W CA 3.790 61.125 57.345 -0.016 0.000 1.284 309 W CB 0.009 29.508 29.460 0.064 0.000 1.145 309 W HN -0.762 7.789 8.180 0.333 -0.170 0.502 310 L N -2.213 119.078 121.223 0.112 0.000 2.012 310 L HA -0.690 nan 4.340 nan 0.000 0.210 310 L C 2.436 179.139 176.870 -0.278 0.000 1.073 310 L CA 3.557 58.200 54.840 -0.328 0.000 0.748 310 L CB -0.486 41.005 42.059 -0.947 0.000 0.891 310 L HN -0.740 7.614 8.230 0.207 0.000 0.431 311 N N -0.715 117.923 118.700 -0.104 0.000 2.084 311 N HA -0.261 nan 4.740 nan 0.000 0.190 311 N C 2.105 177.575 175.510 -0.066 0.000 1.030 311 N CA 2.710 55.792 53.050 0.053 0.000 0.849 311 N CB -0.319 38.203 38.487 0.058 0.000 1.012 311 N HN -0.059 8.260 8.380 -0.103 0.000 0.423 312 E N -3.087 117.010 120.200 -0.172 0.000 2.358 312 E HA -0.079 nan 4.350 nan 0.000 0.195 312 E C 0.716 177.093 176.600 -0.370 0.000 1.010 312 E CA 2.101 58.364 56.400 -0.229 0.000 0.856 312 E CB 0.308 29.883 29.700 -0.209 0.000 0.795 312 E HN -0.063 8.195 8.360 -0.168 0.000 0.504 313 N N -3.631 114.705 118.700 -0.605 0.000 2.317 313 N HA 0.098 nan 4.740 nan 0.000 0.199 313 N C -0.752 174.493 175.510 -0.441 0.000 1.145 313 N CA 0.498 53.118 53.050 -0.716 0.000 0.882 313 N CB 2.362 39.916 38.487 -1.555 0.000 1.113 313 N HN -0.234 7.768 8.380 -0.629 0.000 0.486 314 A N 0.579 123.216 122.820 -0.304 0.000 2.483 314 A HA 0.010 nan 4.320 nan 0.000 0.238 314 A C 0.755 178.311 177.584 -0.048 0.000 1.070 314 A CA 0.742 52.733 52.037 -0.076 0.000 0.770 314 A CB 0.623 19.710 19.000 0.146 0.000 1.008 314 A HN -0.502 7.459 8.150 -0.316 0.000 0.497 315 V N 2.138 122.044 119.914 -0.013 0.000 2.951 315 V HA -0.106 nan 4.120 nan 0.000 0.255 315 V C 0.562 176.648 176.094 -0.013 0.000 1.088 315 V CA 1.846 64.136 62.300 -0.016 0.000 1.109 315 V CB 0.151 31.973 31.823 -0.002 0.000 0.724 315 V HN 0.683 8.785 8.190 0.012 0.095 0.471 316 E N -3.923 116.276 120.200 -0.002 0.000 2.430 316 E HA 0.364 nan 4.350 nan 0.000 0.279 316 E C -2.389 174.163 176.600 -0.080 0.000 1.003 316 E CA -0.952 55.426 56.400 -0.036 0.000 0.801 316 E CB 4.657 34.337 29.700 -0.033 0.000 1.313 316 E HN -0.706 7.638 8.360 0.026 0.031 0.459 317 K N 0.442 120.739 120.400 -0.172 0.000 2.550 317 K HA 0.490 nan 4.320 nan 0.000 0.252 317 K C -1.971 174.464 176.600 -0.274 0.000 0.943 317 K CA -0.795 55.254 56.287 -0.397 0.000 0.806 317 K CB 2.754 34.952 32.500 -0.503 0.000 1.289 317 K HN 0.099 8.271 8.250 -0.131 0.000 0.435 318 V N 3.440 123.190 119.914 -0.273 0.000 2.567 318 V HA 0.316 nan 4.120 nan 0.000 0.298 318 V C -2.062 173.940 176.094 -0.152 0.000 1.047 318 V CA -1.275 60.927 62.300 -0.163 0.000 0.880 318 V CB 2.975 34.737 31.823 -0.101 0.000 1.009 318 V HN 0.173 8.160 8.190 -0.338 0.000 0.429 319 N N 7.659 126.286 118.700 -0.122 0.000 2.438 319 N HA 0.078 nan 4.740 nan 0.000 0.267 319 N C 0.020 175.496 175.510 -0.058 0.000 1.222 319 N CA 1.058 54.056 53.050 -0.088 0.000 0.930 319 N CB 0.141 38.588 38.487 -0.067 0.000 1.083 319 N HN 0.391 8.704 8.380 -0.112 0.000 0.476 320 I N 5.514 126.058 120.570 -0.044 0.000 3.030 320 I HA -0.103 nan 4.170 nan 0.000 0.270 320 I C -0.359 175.749 176.117 -0.015 0.000 1.211 320 I CA 1.381 62.665 61.300 -0.026 0.000 1.479 320 I CB 0.576 38.567 38.000 -0.016 0.000 1.105 320 I HN 0.763 8.945 8.210 -0.046 0.000 0.447 321 K N -4.333 116.059 120.400 -0.013 0.000 2.931 321 K HA 0.272 nan 4.320 nan 0.000 0.292 321 K C -3.086 173.512 176.600 -0.004 0.000 1.077 321 K CA -2.357 53.927 56.287 -0.006 0.000 0.829 321 K CB -0.879 31.622 32.500 0.001 0.000 1.488 321 K HN -0.592 7.647 8.250 -0.017 0.000 0.358 322 P HA -0.111 nan 4.420 nan 0.000 0.262 322 P C -1.050 176.255 177.300 0.007 0.000 1.199 322 P CA 1.832 64.930 63.100 -0.002 0.000 0.763 322 P CB -0.498 31.201 31.700 -0.002 0.000 0.790 323 Q N -3.566 116.240 119.800 0.010 0.000 2.466 323 Q HA -0.390 nan 4.340 nan 0.000 0.248 323 Q C -1.133 174.887 176.000 0.034 0.000 0.791 323 Q CA 1.059 56.877 55.803 0.026 0.000 1.225 323 Q CB -2.366 26.390 28.738 0.029 0.000 1.418 323 Q HN 0.522 8.794 8.270 0.003 0.000 0.662 324 V N 0.216 120.144 119.914 0.023 0.000 2.445 324 V HA 0.311 nan 4.120 nan 0.000 0.283 324 V C -2.133 173.966 176.094 0.008 0.000 1.014 324 V CA -0.348 61.969 62.300 0.028 0.000 0.852 324 V CB 1.271 33.106 31.823 0.021 0.000 1.021 324 V HN 0.059 8.211 8.190 0.011 0.045 0.435 325 D N 7.785 128.200 120.400 0.025 0.000 2.252 325 D HA 0.738 nan 4.640 nan 0.000 0.245 325 D C -2.417 173.871 176.300 -0.021 0.000 1.009 325 D CA -0.952 53.017 54.000 -0.052 0.000 0.870 325 D CB 4.040 44.797 40.800 -0.071 0.000 1.251 325 D HN 0.403 8.815 8.370 0.071 0.000 0.460 326 R N 1.933 122.354 120.500 -0.131 0.000 2.468 326 R HA 0.583 nan 4.340 nan 0.000 0.302 326 R C -1.016 175.224 176.300 -0.101 0.000 1.041 326 R CA -0.885 55.201 56.100 -0.023 0.000 0.899 326 R CB 2.237 32.533 30.300 -0.007 0.000 1.167 326 R HN 0.055 8.194 8.270 -0.218 0.000 0.483 327 Y N 5.762 126.046 120.300 -0.026 0.000 2.301 327 Y HA 0.343 nan 4.550 nan 0.000 0.325 327 Y C -1.311 174.585 175.900 -0.007 0.000 1.203 327 Y CA -0.241 57.839 58.100 -0.034 0.000 1.255 327 Y CB 1.749 40.165 38.460 -0.073 0.000 1.232 327 Y HN 0.718 9.271 8.280 0.455 0.000 0.501 328 L N 1.117 122.427 121.223 0.146 0.000 2.325 328 L HA 0.657 nan 4.340 nan 0.000 0.281 328 L C -2.040 174.895 176.870 0.108 0.000 1.004 328 L CA -1.283 53.621 54.840 0.107 0.000 0.823 328 L CB 2.406 44.500 42.059 0.058 0.000 1.236 328 L HN 0.290 8.598 8.230 0.129 0.000 0.415 329 L N 3.672 124.971 121.223 0.128 0.000 2.400 329 L HA 0.245 nan 4.340 nan 0.000 0.264 329 L C 1.468 178.389 176.870 0.085 0.000 1.061 329 L CA -1.070 53.844 54.840 0.123 0.000 0.799 329 L CB 0.724 42.899 42.059 0.193 0.000 1.240 329 L HN 0.611 8.931 8.230 0.149 0.000 0.461 330 K N 2.034 122.474 120.400 0.067 0.000 2.209 330 K HA -0.362 nan 4.320 nan 0.000 0.204 330 K C 0.676 177.297 176.600 0.036 0.000 1.048 330 K CA 3.024 59.336 56.287 0.040 0.000 0.940 330 K CB -0.377 32.141 32.500 0.030 0.000 0.729 330 K HN 0.683 8.978 8.250 0.074 0.000 0.451 331 N N -3.424 115.298 118.700 0.038 0.000 2.571 331 N HA -0.090 nan 4.740 nan 0.000 0.189 331 N C 0.543 176.030 175.510 -0.039 0.000 1.154 331 N CA -0.216 52.816 53.050 -0.029 0.000 0.907 331 N CB -1.380 37.053 38.487 -0.091 0.000 0.977 331 N HN -0.515 7.878 8.380 0.073 0.031 0.449 332 G N -0.719 108.110 108.800 0.047 0.000 2.157 332 G HA2 -0.480 nan 3.960 nan 0.000 0.248 332 G HA3 -0.480 nan 3.960 nan 0.000 0.248 332 G C -1.144 173.899 174.900 0.239 0.000 0.979 332 G CA 0.349 45.511 45.100 0.103 0.000 0.650 332 G HN -0.215 7.915 8.290 0.062 0.197 0.529 333 H N 0.924 120.035 119.070 0.069 0.000 2.472 333 H HA 0.200 nan 4.556 nan 0.000 0.338 333 H C -1.131 174.246 175.328 0.082 0.000 1.133 333 H CA -1.157 54.935 56.048 0.074 0.000 1.216 333 H CB 1.915 31.727 29.762 0.082 0.000 1.497 333 H HN 0.105 8.750 8.280 0.204 -0.242 0.500 334 R N 1.473 122.063 120.500 0.150 0.000 2.549 334 R HA 0.713 nan 4.340 nan 0.000 0.267 334 R C -0.944 175.427 176.300 0.118 0.000 1.045 334 R CA -1.563 54.607 56.100 0.118 0.000 1.115 334 R CB 1.496 31.840 30.300 0.072 0.000 1.121 334 R HN 0.800 9.496 8.270 0.078 -0.379 0.543 335 I N 0.488 121.137 120.570 0.131 0.000 2.571 335 I HA 0.353 nan 4.170 nan 0.000 0.286 335 I C -1.498 174.711 176.117 0.154 0.000 1.134 335 I CA -1.206 60.166 61.300 0.119 0.000 1.052 335 I CB 2.441 40.464 38.000 0.039 0.000 1.237 335 I HN 0.360 8.663 8.210 0.155 0.000 0.435 336 I N 6.662 127.310 120.570 0.129 0.000 2.325 336 I HA 0.420 nan 4.170 nan 0.000 0.291 336 I C -1.860 174.342 176.117 0.143 0.000 1.019 336 I CA -0.214 61.163 61.300 0.129 0.000 1.302 336 I CB 0.661 38.716 38.000 0.091 0.000 1.401 336 I HN 0.820 9.101 8.210 0.117 0.000 0.485 337 L N 7.279 128.607 121.223 0.174 0.000 2.334 337 L HA 0.879 nan 4.340 nan 0.000 0.276 337 L C -2.290 174.659 176.870 0.132 0.000 1.014 337 L CA -1.965 52.973 54.840 0.163 0.000 0.815 337 L CB 3.411 45.602 42.059 0.219 0.000 1.268 337 L HN 0.904 9.142 8.230 0.197 0.110 0.428 338 L N 3.279 124.569 121.223 0.112 0.000 2.322 338 L HA 0.398 nan 4.340 nan 0.000 0.281 338 L C -0.300 176.621 176.870 0.086 0.000 1.014 338 L CA -1.345 53.547 54.840 0.088 0.000 0.815 338 L CB 1.118 43.221 42.059 0.073 0.000 1.247 338 L HN -0.012 8.288 8.230 0.117 0.000 0.421 339 A N 2.371 125.235 122.820 0.073 0.000 2.798 339 A HA -0.456 nan 4.320 nan 0.000 0.282 339 A C 0.021 177.656 177.584 0.086 0.000 1.464 339 A CA 1.221 53.302 52.037 0.073 0.000 0.844 339 A CB -1.303 17.744 19.000 0.078 0.000 1.006 339 A HN 1.006 9.070 8.150 0.064 0.125 0.577 340 E N -5.753 114.504 120.200 0.095 0.000 2.269 340 E HA -0.471 nan 4.350 nan 0.000 0.223 340 E C 0.063 176.728 176.600 0.109 0.000 1.244 340 E CA 0.640 57.104 56.400 0.107 0.000 0.713 340 E CB -2.338 27.415 29.700 0.088 0.000 1.178 340 E HN 0.507 8.890 8.360 0.097 0.035 0.370 341 G N -5.342 103.525 108.800 0.113 0.000 2.184 341 G HA2 -0.514 nan 3.960 nan 0.000 0.264 341 G HA3 -0.514 nan 3.960 nan 0.000 0.264 341 G C -0.254 174.721 174.900 0.125 0.000 0.975 341 G CA 0.404 45.574 45.100 0.116 0.000 0.642 341 G HN 0.001 8.357 8.290 0.111 0.000 0.536 342 R N -0.870 119.715 120.500 0.142 0.000 2.571 342 R HA 0.000 nan 4.340 nan 0.000 0.259 342 R C -0.300 176.078 176.300 0.129 0.000 1.226 342 R CA -1.201 55.030 56.100 0.220 0.000 1.157 342 R CB 0.812 31.265 30.300 0.254 0.000 1.220 342 R HN -0.138 7.999 8.270 0.126 0.208 0.605 343 L N -1.394 119.882 121.223 0.088 0.000 2.534 343 L HA -0.178 nan 4.340 nan 0.000 0.271 343 L C 0.888 177.771 176.870 0.021 0.000 1.178 343 L CA 0.602 55.412 54.840 -0.050 0.000 0.907 343 L CB -0.658 41.267 42.059 -0.223 0.000 1.164 343 L HN -0.036 8.333 8.230 0.231 0.000 0.482 344 V N 5.535 125.457 119.914 0.014 0.000 2.515 344 V HA -0.453 nan 4.120 nan 0.000 0.250 344 V C 1.060 177.167 176.094 0.021 0.000 1.058 344 V CA 3.388 65.705 62.300 0.028 0.000 1.064 344 V CB 0.016 31.857 31.823 0.030 0.000 0.675 344 V HN 0.917 9.108 8.190 0.002 0.000 0.461 345 N N -0.193 118.509 118.700 0.003 0.000 2.216 345 N HA -0.289 nan 4.740 nan 0.000 0.183 345 N C 1.927 177.439 175.510 0.005 0.000 1.017 345 N CA 3.125 56.179 53.050 0.007 0.000 0.861 345 N CB -0.813 37.679 38.487 0.008 0.000 0.986 345 N HN 0.260 8.633 8.380 -0.011 0.000 0.428 346 L N -1.363 119.857 121.223 -0.004 0.000 2.127 346 L HA 0.003 nan 4.340 nan 0.000 0.203 346 L C 1.639 178.548 176.870 0.064 0.000 1.080 346 L CA 2.072 56.930 54.840 0.031 0.000 0.768 346 L CB -0.250 41.845 42.059 0.060 0.000 0.924 346 L HN -0.613 7.604 8.230 -0.022 0.000 0.444 347 G N -1.721 107.122 108.800 0.071 0.000 2.402 347 G HA2 -0.210 nan 3.960 nan 0.000 0.216 347 G HA3 -0.210 nan 3.960 nan 0.000 0.216 347 G C 0.345 175.275 174.900 0.049 0.000 1.162 347 G CA 1.739 46.881 45.100 0.070 0.000 0.777 347 G HN 0.069 8.399 8.290 0.066 0.000 0.539 348 C N -1.440 117.886 119.300 0.043 0.000 3.104 348 C HA 0.343 nan 4.460 nan 0.000 0.284 348 C C -1.448 173.565 174.990 0.037 0.000 1.326 348 C CA -1.695 57.346 59.018 0.037 0.000 1.725 348 C CB -1.295 26.466 27.740 0.034 0.000 2.156 348 C HN -0.244 7.892 8.230 0.042 0.119 0.638 349 A N -1.421 121.424 122.820 0.041 0.000 3.136 349 A HA 0.263 nan 4.320 nan 0.000 0.299 349 A C -1.596 176.019 177.584 0.052 0.000 1.197 349 A CA -0.499 51.566 52.037 0.046 0.000 0.640 349 A CB 1.296 20.323 19.000 0.044 0.000 1.440 349 A HN -0.933 7.187 8.150 0.043 0.055 0.614 350 M N -0.310 119.325 119.600 0.059 0.000 2.475 350 M HA 0.122 nan 4.480 nan 0.000 0.261 350 M C 0.898 177.229 176.300 0.052 0.000 1.177 350 M CA -0.987 54.352 55.300 0.065 0.000 0.979 350 M CB -0.925 31.721 32.600 0.077 0.000 1.482 350 M HN 0.199 8.526 8.290 0.062 0.000 0.484 351 G N -0.178 108.636 108.800 0.024 0.000 2.598 351 G HA2 -0.396 nan 3.960 nan 0.000 0.244 351 G HA3 -0.396 nan 3.960 nan 0.000 0.244 351 G C -1.204 173.727 174.900 0.050 0.000 1.302 351 G CA 0.041 45.109 45.100 -0.054 0.000 0.903 351 G HN -0.165 7.997 8.290 0.030 0.146 0.575 352 H N 1.485 120.578 119.070 0.038 0.000 2.707 352 H HA 0.083 nan 4.556 nan 0.000 0.359 352 H C -1.897 173.464 175.328 0.054 0.000 1.113 352 H CA -2.171 53.905 56.048 0.046 0.000 1.422 352 H CB 0.373 30.151 29.762 0.027 0.000 1.443 352 H HN 0.194 8.324 8.280 -0.250 0.000 0.591 353 P HA 0.025 nan 4.420 nan 0.000 0.272 353 P C 0.501 177.884 177.300 0.139 0.000 1.223 353 P CA -0.296 62.900 63.100 0.161 0.000 0.784 353 P CB 0.607 32.408 31.700 0.168 0.000 0.923 354 S N 2.597 118.368 115.700 0.118 0.000 2.365 354 S HA -0.354 nan 4.470 nan 0.000 0.225 354 S C 2.011 176.651 174.600 0.067 0.000 1.039 354 S CA 4.399 62.647 58.200 0.080 0.000 1.033 354 S CB -0.170 63.084 63.200 0.089 0.000 0.887 354 S HN 0.646 9.028 8.310 0.119 0.000 0.447 355 F N 0.410 120.358 119.950 -0.003 0.000 2.192 355 F HA -0.268 nan 4.527 nan 0.000 0.301 355 F C 1.242 176.969 175.800 -0.122 0.000 1.079 355 F CA 3.115 61.103 58.000 -0.020 0.000 1.303 355 F CB 0.120 39.133 39.000 0.022 0.000 1.024 355 F HN -0.068 8.408 8.300 0.293 0.000 0.494 356 V N -1.326 118.607 119.914 0.032 0.000 2.591 356 V HA -0.268 nan 4.120 nan 0.000 0.249 356 V C 1.300 177.230 176.094 -0.273 0.000 1.053 356 V CA 3.260 65.517 62.300 -0.072 0.000 1.068 356 V CB -0.139 31.778 31.823 0.157 0.000 0.689 356 V HN -0.334 7.825 8.190 0.164 0.129 0.462 357 M N -0.152 119.284 119.600 -0.274 0.000 2.229 357 M HA -0.206 nan 4.480 nan 0.000 0.264 357 M C 2.299 178.228 176.300 -0.619 0.000 1.063 357 M CA 0.838 55.769 55.300 -0.614 0.000 1.114 357 M CB -2.341 29.916 32.600 -0.571 0.000 1.387 357 M HN -0.352 7.769 8.290 -0.136 0.087 0.420 358 S N -0.008 115.485 115.700 -0.345 0.000 2.370 358 S HA -0.366 nan 4.470 nan 0.000 0.226 358 S C 1.815 176.300 174.600 -0.190 0.000 1.033 358 S CA 4.292 62.377 58.200 -0.192 0.000 1.011 358 S CB -0.409 62.679 63.200 -0.186 0.000 0.852 358 S HN 0.494 8.419 8.310 -0.296 0.208 0.457 359 N N 0.039 118.442 118.700 -0.495 0.000 2.106 359 N HA -0.182 nan 4.740 nan 0.000 0.188 359 N C 2.411 177.749 175.510 -0.288 0.000 1.029 359 N CA 3.531 56.224 53.050 -0.595 0.000 0.848 359 N CB -0.128 37.709 38.487 -1.083 0.000 1.007 359 N HN -0.724 7.166 8.380 -0.650 0.099 0.423 360 S N 1.521 117.044 115.700 -0.295 0.000 2.368 360 S HA -0.237 nan 4.470 nan 0.000 0.224 360 S C 2.137 176.760 174.600 0.039 0.000 1.029 360 S CA 3.699 61.802 58.200 -0.161 0.000 0.988 360 S CB -0.020 63.024 63.200 -0.260 0.000 0.838 360 S HN -0.482 7.588 8.310 -0.400 0.000 0.462 361 F N 0.133 120.066 119.950 -0.029 0.000 2.234 361 F HA 0.018 nan 4.527 nan 0.000 0.296 361 F C 1.958 177.752 175.800 -0.009 0.000 1.089 361 F CA 0.922 58.918 58.000 -0.008 0.000 1.343 361 F CB -1.150 37.840 39.000 -0.016 0.000 1.040 361 F HN 0.552 8.539 8.300 -0.339 0.110 0.498 362 T N 1.997 116.640 114.554 0.148 0.000 2.881 362 T HA -0.368 nan 4.350 nan 0.000 0.270 362 T C 2.139 176.886 174.700 0.078 0.000 1.068 362 T CA 4.970 67.127 62.100 0.096 0.000 1.131 362 T CB -0.745 68.179 68.868 0.095 0.000 0.871 362 T HN 0.339 8.522 8.240 0.083 0.108 0.479 363 N N 1.054 119.796 118.700 0.070 0.000 2.188 363 N HA -0.264 nan 4.740 nan 0.000 0.184 363 N C 1.847 177.399 175.510 0.070 0.000 1.018 363 N CA 3.938 57.025 53.050 0.061 0.000 0.858 363 N CB -0.202 38.318 38.487 0.054 0.000 0.989 363 N HN -0.493 7.810 8.380 0.061 0.113 0.426 364 Q N 0.051 119.915 119.800 0.106 0.000 2.050 364 Q HA -0.222 nan 4.340 nan 0.000 0.202 364 Q C 2.454 178.482 176.000 0.046 0.000 0.980 364 Q CA 2.945 58.801 55.803 0.088 0.000 0.840 364 Q CB -0.389 28.427 28.738 0.129 0.000 0.898 364 Q HN -0.640 7.610 8.270 0.152 0.110 0.424 365 V N 0.999 120.940 119.914 0.045 0.000 2.407 365 V HA -0.400 nan 4.120 nan 0.000 0.248 365 V C 2.364 178.442 176.094 -0.028 0.000 1.055 365 V CA 4.530 66.829 62.300 -0.002 0.000 1.049 365 V CB -1.026 30.796 31.823 -0.001 0.000 0.662 365 V HN -0.049 8.186 8.190 0.075 0.000 0.455 366 M N -1.275 118.326 119.600 0.001 0.000 2.086 366 M HA -0.395 nan 4.480 nan 0.000 0.261 366 M C 2.164 178.462 176.300 -0.004 0.000 1.067 366 M CA 2.655 57.956 55.300 0.001 0.000 1.116 366 M CB -1.528 31.093 32.600 0.035 0.000 1.348 366 M HN -0.120 8.098 8.290 0.027 0.088 0.407 367 A N -1.334 121.484 122.820 -0.003 0.000 1.877 367 A HA -0.380 nan 4.320 nan 0.000 0.216 367 A C 2.091 179.656 177.584 -0.033 0.000 1.186 367 A CA 3.320 55.339 52.037 -0.031 0.000 0.620 367 A CB -1.085 17.897 19.000 -0.030 0.000 0.822 367 A HN 0.155 8.312 8.150 0.011 0.000 0.443 368 Q N -0.977 118.811 119.800 -0.020 0.000 2.061 368 Q HA -0.325 nan 4.340 nan 0.000 0.204 368 Q C 2.566 178.581 176.000 0.026 0.000 0.984 368 Q CA 2.992 58.787 55.803 -0.013 0.000 0.846 368 Q CB -0.363 28.351 28.738 -0.041 0.000 0.902 368 Q HN -0.314 7.947 8.270 -0.016 0.000 0.421 369 I N -0.937 119.625 120.570 -0.013 0.000 2.286 369 I HA -0.500 nan 4.170 nan 0.000 0.248 369 I C 2.305 178.482 176.117 0.099 0.000 1.115 369 I CA 3.705 65.004 61.300 -0.002 0.000 1.392 369 I CB -0.271 37.633 38.000 -0.159 0.000 1.065 369 I HN -0.154 8.028 8.210 -0.046 0.000 0.418 370 E N 0.333 120.594 120.200 0.101 0.000 2.028 370 E HA -0.241 nan 4.350 nan 0.000 0.190 370 E C 3.018 179.765 176.600 0.245 0.000 0.984 370 E CA 3.070 59.602 56.400 0.220 0.000 0.800 370 E CB 0.032 29.782 29.700 0.082 0.000 0.758 370 E HN -0.535 7.766 8.360 0.040 0.082 0.448 371 L N -0.602 120.644 121.223 0.039 0.000 1.961 371 L HA -0.320 nan 4.340 nan 0.000 0.210 371 L C 2.634 179.588 176.870 0.140 0.000 1.072 371 L CA 3.021 57.864 54.840 0.006 0.000 0.749 371 L CB -0.419 41.607 42.059 -0.055 0.000 0.889 371 L HN 0.251 8.473 8.230 -0.012 0.000 0.432 372 W N -0.253 121.025 121.300 -0.036 0.000 2.315 372 W HA -0.431 nan 4.660 nan 0.000 0.323 372 W C 1.189 177.675 176.519 -0.056 0.000 1.233 372 W CA 3.273 60.588 57.345 -0.049 0.000 1.267 372 W CB -0.074 29.343 29.460 -0.071 0.000 1.160 372 W HN -0.398 7.955 8.180 0.288 0.000 0.474 373 T N -3.642 110.906 114.554 -0.010 0.000 3.051 373 T HA -0.176 nan 4.350 nan 0.000 0.269 373 T C 0.099 174.507 174.700 -0.487 0.000 1.127 373 T CA 2.158 64.099 62.100 -0.266 0.000 1.107 373 T CB -0.236 68.530 68.868 -0.169 0.000 0.898 373 T HN -0.630 7.731 8.240 0.202 0.000 0.517 374 H N 0.346 119.401 119.070 -0.025 0.000 2.340 374 H HA 0.473 nan 4.556 nan 0.000 0.233 374 H C -1.454 173.874 175.328 0.000 0.000 1.435 374 H CA -2.483 53.576 56.048 0.018 0.000 1.389 374 H CB -0.260 29.593 29.762 0.152 0.000 1.491 374 H HN -0.502 7.620 8.280 0.065 0.196 0.518 375 P HA -0.271 nan 4.420 nan 0.000 0.219 375 P C -0.108 177.183 177.300 -0.016 0.000 1.158 375 P CA 2.476 65.519 63.100 -0.095 0.000 0.895 375 P CB 0.085 31.689 31.700 -0.161 0.000 0.792 376 D N -5.296 115.106 120.400 0.004 0.000 2.503 376 D HA 0.112 nan 4.640 nan 0.000 0.218 376 D C -0.244 176.045 176.300 -0.018 0.000 1.183 376 D CA 0.459 54.459 54.000 -0.001 0.000 0.827 376 D CB 0.194 40.981 40.800 -0.021 0.000 1.034 376 D HN 0.279 8.653 8.370 0.006 0.000 0.510 377 K N -0.636 119.750 120.400 -0.023 0.000 2.400 377 K HA -0.077 nan 4.320 nan 0.000 0.194 377 K C 0.061 176.415 176.600 -0.409 0.000 1.033 377 K CA 1.361 57.520 56.287 -0.212 0.000 1.021 377 K CB 0.620 32.938 32.500 -0.304 0.000 0.808 377 K HN -0.648 7.642 8.250 0.067 0.000 0.505 378 Y N 0.976 121.203 120.300 -0.123 0.000 2.369 378 Y HA 0.216 nan 4.550 nan 0.000 0.337 378 Y C -2.023 173.813 175.900 -0.106 0.000 0.961 378 Y CA -2.083 55.869 58.100 -0.246 0.000 1.186 378 Y CB 0.135 38.417 38.460 -0.296 0.000 1.139 378 Y HN -0.478 7.851 8.280 0.133 0.030 0.494 379 P HA 0.018 nan 4.420 nan 0.000 0.272 379 P C -1.026 176.455 177.300 0.302 0.000 1.240 379 P CA -0.682 62.519 63.100 0.168 0.000 0.791 379 P CB 0.525 32.325 31.700 0.167 0.000 0.978 380 V N 0.062 120.080 119.914 0.174 0.000 2.788 380 V HA -0.233 nan 4.120 nan 0.000 0.307 380 V C -0.010 176.142 176.094 0.097 0.000 1.069 380 V CA 1.290 63.669 62.300 0.131 0.000 1.173 380 V CB -0.894 30.971 31.823 0.070 0.000 0.925 380 V HN 0.238 8.501 8.190 0.122 0.000 0.492 381 G N 4.256 113.054 108.800 -0.003 0.000 2.335 381 G HA2 -0.186 nan 3.960 nan 0.000 0.592 381 G HA3 -0.186 nan 3.960 nan 0.000 0.592 381 G C -2.220 172.424 174.900 -0.426 0.000 1.442 381 G CA -0.660 44.305 45.100 -0.225 0.000 0.976 381 G HN -0.286 8.020 8.290 0.026 0.000 0.652 382 V N 2.231 121.812 119.914 -0.556 0.000 2.372 382 V HA 0.371 nan 4.120 nan 0.000 0.261 382 V C -0.652 175.043 176.094 -0.666 0.000 1.055 382 V CA -1.484 60.447 62.300 -0.616 0.000 0.930 382 V CB -0.543 30.747 31.823 -0.888 0.000 1.031 382 V HN 0.232 8.102 8.190 -0.532 0.000 0.479 383 H N 8.715 127.664 119.070 -0.201 0.000 2.544 383 H HA 0.251 nan 4.556 nan 0.000 0.342 383 H C -1.329 173.937 175.328 -0.104 0.000 1.185 383 H CA -1.488 54.520 56.048 -0.066 0.000 1.264 383 H CB 2.908 32.754 29.762 0.139 0.000 1.607 383 H HN 0.494 8.582 8.280 -0.118 0.122 0.550 384 F N -0.891 119.183 119.950 0.206 0.000 2.379 384 F HA 0.164 nan 4.527 nan 0.000 0.332 384 F C -0.580 175.299 175.800 0.133 0.000 1.096 384 F CA -0.663 57.422 58.000 0.142 0.000 1.105 384 F CB 0.948 40.030 39.000 0.138 0.000 1.189 384 F HN 0.147 8.738 8.300 0.484 0.000 0.515 385 L N 3.930 125.334 121.223 0.303 0.000 2.477 385 L HA 0.026 nan 4.340 nan 0.000 0.272 385 L C -1.221 175.755 176.870 0.177 0.000 1.157 385 L CA -1.932 53.015 54.840 0.178 0.000 0.889 385 L CB 0.380 42.514 42.059 0.125 0.000 1.158 385 L HN -0.139 8.292 8.230 0.335 0.000 0.473 386 P HA -0.017 nan 4.420 nan 0.000 0.261 386 P C 0.226 177.573 177.300 0.079 0.000 1.183 386 P CA -0.370 62.801 63.100 0.118 0.000 0.761 386 P CB 0.465 32.225 31.700 0.101 0.000 0.785 387 K N 6.005 126.442 120.400 0.062 0.000 2.107 387 K HA -0.538 nan 4.320 nan 0.000 0.211 387 K C 1.935 178.554 176.600 0.033 0.000 1.049 387 K CA 4.281 60.598 56.287 0.050 0.000 0.927 387 K CB 0.068 32.592 32.500 0.041 0.000 0.714 387 K HN 0.673 8.961 8.250 0.063 0.000 0.452 388 K N -2.168 118.234 120.400 0.003 0.000 2.211 388 K HA -0.243 nan 4.320 nan 0.000 0.204 388 K C 2.273 178.893 176.600 0.034 0.000 1.047 388 K CA 2.777 59.057 56.287 -0.012 0.000 0.935 388 K CB -0.434 32.042 32.500 -0.040 0.000 0.728 388 K HN 0.011 8.251 8.250 -0.002 0.009 0.452 389 L N -2.617 118.635 121.223 0.049 0.000 2.179 389 L HA -0.273 nan 4.340 nan 0.000 0.208 389 L C 1.703 178.610 176.870 0.062 0.000 1.096 389 L CA 2.560 57.438 54.840 0.065 0.000 0.779 389 L CB -0.381 41.718 42.059 0.067 0.000 0.922 389 L HN 0.190 8.322 8.230 0.048 0.126 0.443 390 D N 0.142 120.575 120.400 0.055 0.000 2.149 390 D HA -0.232 nan 4.640 nan 0.000 0.201 390 D C 2.315 178.639 176.300 0.040 0.000 0.972 390 D CA 3.472 57.495 54.000 0.039 0.000 0.835 390 D CB 0.043 40.862 40.800 0.031 0.000 0.966 390 D HN -0.599 7.689 8.370 0.056 0.115 0.476 391 E N -0.417 119.821 120.200 0.064 0.000 2.106 391 E HA -0.297 nan 4.350 nan 0.000 0.192 391 E C 2.170 178.834 176.600 0.106 0.000 0.984 391 E CA 2.745 59.207 56.400 0.103 0.000 0.806 391 E CB -0.119 29.671 29.700 0.149 0.000 0.750 391 E HN 0.320 8.535 8.360 0.061 0.182 0.458 392 A N -0.488 122.388 122.820 0.094 0.000 1.877 392 A HA -0.166 nan 4.320 nan 0.000 0.216 392 A C 2.086 179.733 177.584 0.106 0.000 1.186 392 A CA 3.144 55.243 52.037 0.102 0.000 0.620 392 A CB -0.652 18.410 19.000 0.104 0.000 0.822 392 A HN -0.287 7.810 8.150 0.082 0.101 0.443 393 V N -2.157 117.809 119.914 0.087 0.000 2.515 393 V HA -0.349 nan 4.120 nan 0.000 0.250 393 V C 1.115 177.269 176.094 0.100 0.000 1.058 393 V CA 2.488 64.844 62.300 0.094 0.000 1.064 393 V CB -0.977 30.869 31.823 0.040 0.000 0.675 393 V HN -0.407 7.826 8.190 0.072 0.000 0.461 394 A N 0.354 123.207 122.820 0.055 0.000 1.858 394 A HA -0.366 nan 4.320 nan 0.000 0.216 394 A C 2.131 179.796 177.584 0.135 0.000 1.190 394 A CA 3.418 55.488 52.037 0.055 0.000 0.617 394 A CB -0.776 18.261 19.000 0.062 0.000 0.827 394 A HN -0.365 7.721 8.150 0.052 0.095 0.443 395 E N -1.178 119.100 120.200 0.130 0.000 2.268 395 E HA -0.306 nan 4.350 nan 0.000 0.195 395 E C 0.932 177.602 176.600 0.118 0.000 0.995 395 E CA 1.978 58.451 56.400 0.122 0.000 0.836 395 E CB -0.096 29.669 29.700 0.109 0.000 0.763 395 E HN -0.095 8.336 8.360 0.118 0.000 0.491 396 A N -3.744 119.162 122.820 0.143 0.000 2.067 396 A HA -0.157 nan 4.320 nan 0.000 0.219 396 A C 1.751 179.296 177.584 -0.066 0.000 1.158 396 A CA 2.136 54.198 52.037 0.041 0.000 0.661 396 A CB -0.077 18.930 19.000 0.012 0.000 0.801 396 A HN -0.500 7.612 8.150 0.175 0.143 0.452 397 H N -4.353 114.712 119.070 -0.008 0.000 2.562 397 H HA 0.041 nan 4.556 nan 0.000 0.267 397 H C -0.097 175.316 175.328 0.142 0.000 0.959 397 H CA 0.678 56.756 56.048 0.050 0.000 1.204 397 H CB 0.171 29.904 29.762 -0.048 0.000 1.430 397 H HN -0.576 7.775 8.280 0.375 0.154 0.545 398 L N -1.986 119.356 121.223 0.198 0.000 2.467 398 L HA -0.254 nan 4.340 nan 0.000 0.270 398 L C 1.773 178.696 176.870 0.089 0.000 1.205 398 L CA 1.048 55.968 54.840 0.134 0.000 0.828 398 L CB -0.637 41.481 42.059 0.098 0.000 1.101 398 L HN -0.858 7.482 8.230 0.184 0.000 0.479 399 G N 2.272 111.110 108.800 0.064 0.000 3.642 399 G HA2 -0.288 nan 3.960 nan 0.000 0.205 399 G HA3 -0.288 nan 3.960 nan 0.000 0.205 399 G C 1.240 176.163 174.900 0.038 0.000 1.526 399 G CA 0.565 45.688 45.100 0.039 0.000 1.097 399 G HN 0.366 8.832 8.290 0.060 -0.140 0.596 400 K N 4.039 124.475 120.400 0.061 0.000 2.057 400 K HA -0.153 nan 4.320 nan 0.000 0.207 400 K C 1.027 177.646 176.600 0.031 0.000 1.049 400 K CA 1.962 58.286 56.287 0.061 0.000 0.931 400 K CB -0.127 32.458 32.500 0.141 0.000 0.714 400 K HN -0.342 7.907 8.250 0.075 0.046 0.440 401 L N -4.328 116.927 121.223 0.054 0.000 2.552 401 L HA -0.034 nan 4.340 nan 0.000 0.227 401 L C -0.479 176.393 176.870 0.003 0.000 1.146 401 L CA 0.098 54.940 54.840 0.003 0.000 0.858 401 L CB 0.301 42.387 42.059 0.044 0.000 0.969 401 L HN -0.591 7.715 8.230 0.117 -0.005 0.451 402 N N -1.972 116.738 118.700 0.017 0.000 2.671 402 N HA -0.300 nan 4.740 nan 0.000 0.261 402 N C -1.317 174.199 175.510 0.010 0.000 1.053 402 N CA 0.906 53.962 53.050 0.009 0.000 0.732 402 N CB -0.698 37.787 38.487 -0.002 0.000 0.887 402 N HN -0.454 7.797 8.380 0.028 0.146 0.546 403 V N 0.291 120.219 119.914 0.023 0.000 2.667 403 V HA 0.141 nan 4.120 nan 0.000 0.308 403 V C 0.085 176.190 176.094 0.018 0.000 1.048 403 V CA -0.571 61.742 62.300 0.022 0.000 0.928 403 V CB 2.585 34.432 31.823 0.039 0.000 1.004 403 V HN -0.361 7.940 8.190 0.032 -0.092 0.444 404 K N 5.822 126.227 120.400 0.009 0.000 2.478 404 K HA 0.266 nan 4.320 nan 0.000 0.236 404 K C -1.587 175.012 176.600 -0.002 0.000 1.021 404 K CA -1.226 55.064 56.287 0.005 0.000 1.010 404 K CB 0.354 32.854 32.500 0.000 0.000 1.331 404 K HN 0.299 8.553 8.250 0.007 0.000 0.470 405 L N 4.227 125.450 121.223 0.000 0.000 2.456 405 L HA 0.021 nan 4.340 nan 0.000 0.272 405 L C -0.325 176.530 176.870 -0.025 0.000 1.189 405 L CA 0.342 55.172 54.840 -0.017 0.000 0.846 405 L CB 0.932 42.986 42.059 -0.009 0.000 1.111 405 L HN -0.013 8.223 8.230 0.010 0.000 0.475 406 T N 4.685 119.211 114.554 -0.046 0.000 2.829 406 T HA 0.147 nan 4.350 nan 0.000 0.282 406 T C -0.076 174.592 174.700 -0.055 0.000 0.990 406 T CA -0.911 61.164 62.100 -0.041 0.000 1.028 406 T CB 0.840 69.684 68.868 -0.039 0.000 0.951 406 T HN -0.174 8.028 8.240 -0.065 0.000 0.460 407 K N 3.329 123.712 120.400 -0.027 0.000 2.201 407 K HA 0.184 nan 4.320 nan 0.000 0.278 407 K C -0.296 176.299 176.600 -0.007 0.000 1.027 407 K CA -1.019 55.260 56.287 -0.012 0.000 0.909 407 K CB 0.665 33.174 32.500 0.015 0.000 1.062 407 K HN 0.252 8.492 8.250 -0.016 0.000 0.465 408 L N 5.126 126.349 121.223 0.002 0.000 2.490 408 L HA 0.087 nan 4.340 nan 0.000 0.274 408 L C 0.096 176.990 176.870 0.041 0.000 1.201 408 L CA 0.158 55.014 54.840 0.025 0.000 0.869 408 L CB 0.540 42.643 42.059 0.074 0.000 1.123 408 L HN 0.427 8.657 8.230 -0.001 0.000 0.484 409 T N 2.870 117.444 114.554 0.032 0.000 2.882 409 T HA 0.205 nan 4.350 nan 0.000 0.287 409 T C 1.095 175.822 174.700 0.044 0.000 1.014 409 T CA -1.197 60.922 62.100 0.031 0.000 1.049 409 T CB 2.280 71.158 68.868 0.016 0.000 1.001 409 T HN 0.540 9.184 8.240 0.025 -0.388 0.525 410 E N 2.410 122.634 120.200 0.039 0.000 2.130 410 E HA -0.415 nan 4.350 nan 0.000 0.196 410 E C 2.060 178.691 176.600 0.051 0.000 0.998 410 E CA 4.176 60.602 56.400 0.044 0.000 0.806 410 E CB -0.217 29.503 29.700 0.033 0.000 0.738 410 E HN 0.560 8.939 8.360 0.032 0.000 0.459 411 K N -1.512 118.914 120.400 0.042 0.000 2.002 411 K HA -0.314 nan 4.320 nan 0.000 0.209 411 K C 2.378 179.026 176.600 0.081 0.000 1.048 411 K CA 3.102 59.417 56.287 0.047 0.000 0.930 411 K CB -0.313 32.196 32.500 0.016 0.000 0.714 411 K HN -0.058 8.197 8.250 0.031 0.014 0.438 412 Q N -1.050 118.791 119.800 0.070 0.000 2.084 412 Q HA -0.328 nan 4.340 nan 0.000 0.202 412 Q C 2.466 178.563 176.000 0.161 0.000 0.978 412 Q CA 2.895 58.768 55.803 0.117 0.000 0.844 412 Q CB -0.069 28.712 28.738 0.072 0.000 0.898 412 Q HN -0.541 7.755 8.270 0.044 0.000 0.426 413 A N -0.211 122.678 122.820 0.115 0.000 1.873 413 A HA -0.423 nan 4.320 nan 0.000 0.218 413 A C 2.249 179.892 177.584 0.098 0.000 1.193 413 A CA 3.360 55.463 52.037 0.110 0.000 0.629 413 A CB -0.987 18.069 19.000 0.093 0.000 0.826 413 A HN 0.542 8.748 8.150 0.092 0.000 0.447 414 Q N -2.044 117.813 119.800 0.095 0.000 2.124 414 Q HA -0.305 nan 4.340 nan 0.000 0.202 414 Q C 2.538 178.596 176.000 0.096 0.000 0.977 414 Q CA 2.766 58.616 55.803 0.079 0.000 0.850 414 Q CB 0.150 28.932 28.738 0.073 0.000 0.901 414 Q HN -0.341 7.984 8.270 0.092 0.000 0.429 415 Y N -0.107 120.204 120.300 0.019 0.000 2.165 415 Y HA -0.284 nan 4.550 nan 0.000 0.286 415 Y C 0.680 176.591 175.900 0.019 0.000 1.155 415 Y CA 2.717 60.827 58.100 0.016 0.000 1.164 415 Y CB 0.416 38.885 38.460 0.014 0.000 0.978 415 Y HN -0.432 7.924 8.280 0.249 0.073 0.513 416 L N -3.852 117.376 121.223 0.008 0.000 2.418 416 L HA -0.030 nan 4.340 nan 0.000 0.218 416 L C 0.741 177.575 176.870 -0.060 0.000 1.125 416 L CA 0.440 55.243 54.840 -0.060 0.000 0.835 416 L CB 0.504 42.602 42.059 0.065 0.000 0.953 416 L HN 0.013 8.336 8.230 0.156 0.000 0.454 417 G N -1.336 107.446 108.800 -0.029 0.000 2.225 417 G HA2 -0.360 nan 3.960 nan 0.000 0.264 417 G HA3 -0.360 nan 3.960 nan 0.000 0.264 417 G C -0.812 174.084 174.900 -0.007 0.000 1.060 417 G CA 0.301 45.386 45.100 -0.024 0.000 0.833 417 G HN -0.349 7.760 8.290 -0.001 0.180 0.498 418 M N -2.398 117.215 119.600 0.021 0.000 2.593 418 M HA 0.480 nan 4.480 nan 0.000 0.290 418 M C -3.148 173.172 176.300 0.034 0.000 1.244 418 M CA -2.469 52.842 55.300 0.018 0.000 0.857 418 M CB 1.340 33.971 32.600 0.053 0.000 1.738 418 M HN -0.354 7.961 8.290 0.042 0.000 0.461 419 P HA 0.198 nan 4.420 nan 0.000 0.274 419 P C -0.160 177.189 177.300 0.082 0.000 1.231 419 P CA -0.579 62.519 63.100 -0.004 0.000 0.790 419 P CB 0.554 32.210 31.700 -0.073 0.000 0.951 420 I N -0.315 120.319 120.570 0.108 0.000 2.315 420 I HA -0.340 nan 4.170 nan 0.000 0.251 420 I C 1.135 177.430 176.117 0.296 0.000 1.125 420 I CA 2.576 63.984 61.300 0.180 0.000 1.392 420 I CB -0.052 38.014 38.000 0.110 0.000 1.065 420 I HN 0.368 8.619 8.210 0.069 0.000 0.424 421 N N -4.848 113.939 118.700 0.144 0.000 2.118 421 N HA 0.073 nan 4.740 nan 0.000 0.226 421 N C -0.040 175.305 175.510 -0.275 0.000 1.305 421 N CA -0.350 52.775 53.050 0.125 0.000 0.890 421 N CB 0.868 39.428 38.487 0.123 0.000 1.118 421 N HN -0.170 8.225 8.380 0.055 0.019 0.511 422 G N 1.352 109.947 108.800 -0.342 0.000 2.683 422 G HA2 0.034 nan 3.960 nan 0.000 0.260 422 G HA3 0.034 nan 3.960 nan 0.000 0.260 422 G C -2.206 172.235 174.900 -0.766 0.000 1.238 422 G CA -0.948 43.922 45.100 -0.384 0.000 0.934 422 G HN -0.564 7.477 8.290 -0.212 0.122 0.534 423 P HA -0.175 nan 4.420 nan 0.000 0.264 423 P C -1.467 175.518 177.300 -0.525 0.000 1.183 423 P CA 0.702 63.531 63.100 -0.453 0.000 0.763 423 P CB 0.073 31.656 31.700 -0.196 0.000 0.807 424 F N 2.136 122.063 119.950 -0.040 0.000 2.749 424 F HA 0.043 nan 4.527 nan 0.000 0.300 424 F C 0.120 175.817 175.800 -0.172 0.000 1.103 424 F CA 0.896 58.848 58.000 -0.080 0.000 1.342 424 F CB 0.732 39.696 39.000 -0.061 0.000 1.098 424 F HN 0.211 8.690 8.300 -0.216 -0.309 0.586 425 K N -1.929 118.424 120.400 -0.078 0.000 2.482 425 K HA 0.422 nan 4.320 nan 0.000 0.257 425 K C -2.844 173.649 176.600 -0.178 0.000 0.969 425 K CA -3.130 52.999 56.287 -0.263 0.000 0.842 425 K CB 1.644 33.790 32.500 -0.589 0.000 1.359 425 K HN -0.503 7.669 8.250 -0.055 0.044 0.441 426 P HA 0.205 nan 4.420 nan 0.000 0.279 426 P C 0.508 177.669 177.300 -0.231 0.000 1.252 426 P CA -0.718 62.244 63.100 -0.230 0.000 0.811 426 P CB 1.214 32.693 31.700 -0.370 0.000 1.035 427 D N 0.077 120.405 120.400 -0.120 0.000 2.228 427 D HA -0.315 nan 4.640 nan 0.000 0.203 427 D C 1.116 177.385 176.300 -0.052 0.000 0.988 427 D CA 3.135 57.100 54.000 -0.058 0.000 0.864 427 D CB -0.257 40.539 40.800 -0.008 0.000 0.928 427 D HN 0.558 8.885 8.370 -0.073 0.000 0.469 428 H N -4.894 114.189 119.070 0.021 0.000 2.539 428 H HA 0.001 nan 4.556 nan 0.000 0.267 428 H C -0.214 175.117 175.328 0.004 0.000 0.982 428 H CA -0.610 55.439 56.048 0.002 0.000 1.146 428 H CB -0.704 29.055 29.762 -0.005 0.000 1.382 428 H HN -0.388 7.656 8.280 -0.328 0.039 0.577 429 Y N 3.249 123.328 120.300 -0.368 0.000 2.650 429 Y HA -0.310 nan 4.550 nan 0.000 0.331 429 Y C -0.863 174.905 175.900 -0.220 0.000 1.165 429 Y CA 1.105 59.008 58.100 -0.327 0.000 1.473 429 Y CB -0.102 38.053 38.460 -0.509 0.000 1.224 429 Y HN -0.353 7.614 8.280 -0.233 0.173 0.533 430 R N 6.813 127.019 120.500 -0.489 0.000 2.265 430 R HA 0.144 nan 4.340 nan 0.000 0.319 430 R C -0.985 175.012 176.300 -0.505 0.000 1.006 430 R CA -0.726 55.227 56.100 -0.244 0.000 0.880 430 R CB 1.007 31.202 30.300 -0.176 0.000 1.077 430 R HN 0.286 8.193 8.270 -0.604 0.000 0.454 431 Y N 0.000 120.224 120.300 -0.126 0.000 2.660 431 Y HA 0.000 nan 4.550 nan 0.000 0.201 431 Y CA 0.000 58.113 58.100 0.022 0.000 1.940 431 Y CB 0.000 38.582 38.460 0.204 0.000 1.050 431 Y HN 0.000 8.586 8.280 0.510 0.000 0.758