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_C 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 0.000 176.933 176.870 0.105 0.000 1.165 4 L CA 0.000 54.941 54.840 0.169 0.000 0.813 4 L CB 0.000 42.263 42.059 0.339 0.000 0.961 5 P HA -0.050 nan 4.420 nan 0.000 0.220 5 P C -1.692 175.375 177.300 -0.388 0.000 1.152 5 P CA 1.258 64.167 63.100 -0.318 0.000 0.812 5 P CB 0.703 32.030 31.700 -0.621 0.000 0.792 6 Y N -8.067 112.099 120.300 -0.223 0.000 3.097 6 Y HA 0.077 nan 4.550 nan 0.000 0.412 6 Y C -2.113 173.676 175.900 -0.185 0.000 1.225 6 Y CA -1.902 55.765 58.100 -0.721 0.000 1.156 6 Y CB 0.236 38.402 38.460 -0.490 0.000 1.983 6 Y HN -0.892 7.066 8.280 -0.510 0.016 0.431 7 K N 1.537 122.106 120.400 0.281 0.000 2.729 7 K HA 0.337 nan 4.320 nan 0.000 0.269 7 K C -2.518 174.342 176.600 0.433 0.000 1.065 7 K CA 0.289 56.840 56.287 0.439 0.000 1.000 7 K CB 2.780 35.677 32.500 0.661 0.000 1.283 7 K HN 0.499 8.782 8.250 0.055 0.000 0.491 8 V N 2.944 123.031 119.914 0.289 0.000 2.919 8 V HA 0.458 nan 4.120 nan 0.000 0.316 8 V C 0.003 176.184 176.094 0.144 0.000 1.077 8 V CA -2.128 60.316 62.300 0.241 0.000 0.977 8 V CB 2.486 34.361 31.823 0.088 0.000 1.039 8 V HN 0.202 8.566 8.190 0.291 0.000 0.441 9 A N 3.857 126.794 122.820 0.196 0.000 1.898 9 A HA -0.171 nan 4.320 nan 0.000 0.216 9 A C -0.583 177.045 177.584 0.074 0.000 1.181 9 A CA 2.506 54.602 52.037 0.098 0.000 0.620 9 A CB 0.449 19.576 19.000 0.212 0.000 0.819 9 A HN 0.190 8.684 8.150 0.309 -0.159 0.442 10 D N -3.202 117.263 120.400 0.108 0.000 2.337 10 D HA 0.083 nan 4.640 nan 0.000 0.238 10 D C -0.179 176.176 176.300 0.091 0.000 1.331 10 D CA -0.855 53.203 54.000 0.096 0.000 0.967 10 D CB 1.229 42.100 40.800 0.118 0.000 1.382 10 D HN -0.539 7.911 8.370 0.133 0.000 0.549 11 I N 5.727 126.335 120.570 0.063 0.000 2.657 11 I HA -0.199 nan 4.170 nan 0.000 0.261 11 I C 0.778 176.923 176.117 0.047 0.000 1.212 11 I CA 0.892 62.206 61.300 0.024 0.000 1.453 11 I CB 0.431 38.442 38.000 0.018 0.000 1.092 11 I HN 0.334 8.586 8.210 0.070 0.000 0.452 12 G N -0.084 108.758 108.800 0.070 0.000 2.471 12 G HA2 -0.204 nan 3.960 nan 0.000 0.219 12 G HA3 -0.204 nan 3.960 nan 0.000 0.219 12 G C 0.982 175.952 174.900 0.117 0.000 1.125 12 G CA 1.780 46.925 45.100 0.075 0.000 0.775 12 G HN 0.015 8.498 8.290 0.071 -0.150 0.548 13 L N 0.465 121.788 121.223 0.166 0.000 2.610 13 L HA 0.021 nan 4.340 nan 0.000 0.232 13 L C 0.794 177.824 176.870 0.267 0.000 1.149 13 L CA -0.862 54.158 54.840 0.301 0.000 0.872 13 L CB -1.323 40.969 42.059 0.388 0.000 0.992 13 L HN 0.015 8.251 8.230 0.143 0.080 0.447 14 A N -0.159 122.739 122.820 0.130 0.000 1.978 14 A HA -0.338 nan 4.320 nan 0.000 0.220 14 A C 1.326 178.957 177.584 0.079 0.000 1.170 14 A CA 3.156 55.227 52.037 0.057 0.000 0.636 14 A CB -0.970 18.026 19.000 -0.007 0.000 0.810 14 A HN -0.240 7.774 8.150 0.100 0.196 0.448 15 A N -2.819 120.077 122.820 0.127 0.000 1.970 15 A HA -0.120 nan 4.320 nan 0.000 0.216 15 A C 1.420 179.133 177.584 0.216 0.000 1.170 15 A CA 2.193 54.306 52.037 0.127 0.000 0.645 15 A CB -0.607 18.456 19.000 0.106 0.000 0.816 15 A HN -0.270 7.937 8.150 0.136 0.026 0.447 16 W N 0.153 121.494 121.300 0.067 0.000 2.379 16 W HA -0.279 nan 4.660 nan 0.000 0.307 16 W C 1.772 178.411 176.519 0.201 0.000 1.200 16 W CA 1.338 58.751 57.345 0.114 0.000 1.297 16 W CB -0.214 29.310 29.460 0.105 0.000 1.140 16 W HN -0.544 7.855 8.180 0.401 0.021 0.507 17 G N -1.929 106.934 108.800 0.104 0.000 2.459 17 G HA2 -0.553 nan 3.960 nan 0.000 0.217 17 G HA3 -0.553 nan 3.960 nan 0.000 0.217 17 G C 0.809 175.615 174.900 -0.155 0.000 1.183 17 G CA 1.929 46.877 45.100 -0.254 0.000 0.776 17 G HN -0.267 8.143 8.290 0.199 0.000 0.552 18 R N 1.550 122.013 120.500 -0.061 0.000 2.119 18 R HA -0.357 nan 4.340 nan 0.000 0.246 18 R C 2.045 178.339 176.300 -0.009 0.000 1.146 18 R CA 2.692 58.765 56.100 -0.045 0.000 0.962 18 R CB -0.603 29.689 30.300 -0.014 0.000 0.863 18 R HN -0.551 7.703 8.270 -0.026 0.000 0.442 19 K N -1.837 118.593 120.400 0.051 0.000 2.097 19 K HA -0.305 nan 4.320 nan 0.000 0.206 19 K C 2.212 178.849 176.600 0.062 0.000 1.049 19 K CA 3.030 59.367 56.287 0.083 0.000 0.933 19 K CB -0.331 32.266 32.500 0.161 0.000 0.717 19 K HN -0.598 7.693 8.250 0.087 0.011 0.442 20 A N -0.238 122.602 122.820 0.034 0.000 1.854 20 A HA -0.154 nan 4.320 nan 0.000 0.214 20 A C 1.950 179.510 177.584 -0.041 0.000 1.192 20 A CA 2.720 54.761 52.037 0.007 0.000 0.611 20 A CB -0.796 18.180 19.000 -0.041 0.000 0.832 20 A HN -0.266 7.777 8.150 0.024 0.121 0.442 21 L N -1.606 119.558 121.223 -0.099 0.000 2.021 21 L HA -0.588 nan 4.340 nan 0.000 0.215 21 L C 2.288 179.131 176.870 -0.045 0.000 1.074 21 L CA 3.233 58.017 54.840 -0.092 0.000 0.760 21 L CB -0.667 41.323 42.059 -0.115 0.000 0.889 21 L HN 0.485 8.522 8.230 -0.141 0.109 0.433 22 D N -2.186 118.198 120.400 -0.026 0.000 2.219 22 D HA -0.196 nan 4.640 nan 0.000 0.205 22 D C 2.473 178.776 176.300 0.005 0.000 0.970 22 D CA 3.628 57.622 54.000 -0.009 0.000 0.851 22 D CB -0.360 40.439 40.800 -0.001 0.000 0.943 22 D HN 0.131 8.480 8.370 -0.026 0.006 0.488 23 I N -0.856 119.724 120.570 0.016 0.000 2.406 23 I HA -0.349 nan 4.170 nan 0.000 0.249 23 I C 1.332 177.465 176.117 0.027 0.000 1.122 23 I CA 2.579 63.896 61.300 0.028 0.000 1.431 23 I CB -0.084 37.942 38.000 0.044 0.000 1.087 23 I HN -0.615 7.477 8.210 0.015 0.127 0.424 24 A N -0.095 122.737 122.820 0.019 0.000 1.930 24 A HA -0.327 nan 4.320 nan 0.000 0.217 24 A C 1.729 179.324 177.584 0.018 0.000 1.175 24 A CA 3.085 55.136 52.037 0.023 0.000 0.627 24 A CB -0.825 18.181 19.000 0.010 0.000 0.815 24 A HN -0.118 8.037 8.150 0.008 0.000 0.443 25 E N -2.803 117.398 120.200 0.002 0.000 2.171 25 E HA -0.412 nan 4.350 nan 0.000 0.197 25 E C 2.771 179.372 176.600 0.002 0.000 0.997 25 E CA 2.793 59.189 56.400 -0.007 0.000 0.810 25 E CB -0.494 29.196 29.700 -0.016 0.000 0.738 25 E HN -0.156 8.201 8.360 -0.005 0.000 0.467 26 N N -1.649 117.060 118.700 0.015 0.000 2.142 26 N HA -0.197 nan 4.740 nan 0.000 0.186 26 N C 1.334 176.874 175.510 0.050 0.000 1.023 26 N CA 2.332 55.397 53.050 0.024 0.000 0.852 26 N CB 0.312 38.815 38.487 0.026 0.000 0.998 26 N HN -0.577 7.795 8.380 0.016 0.017 0.424 27 E N -2.662 117.580 120.200 0.070 0.000 2.502 27 E HA -0.123 nan 4.350 nan 0.000 0.194 27 E C 0.102 176.790 176.600 0.146 0.000 1.062 27 E CA 0.023 56.506 56.400 0.138 0.000 0.867 27 E CB 0.085 29.866 29.700 0.136 0.000 0.888 27 E HN -0.452 7.844 8.360 0.055 0.097 0.510 28 M N -0.377 119.244 119.600 0.034 0.000 3.106 28 M HA 0.493 nan 4.480 nan 0.000 0.213 28 M C -2.395 173.823 176.300 -0.136 0.000 1.117 28 M CA -2.505 52.759 55.300 -0.060 0.000 0.900 28 M CB 0.065 32.645 32.600 -0.033 0.000 1.339 28 M HN -0.760 7.363 8.290 0.024 0.182 0.542 29 P HA -0.124 nan 4.420 nan 0.000 0.221 29 P C 1.022 178.100 177.300 -0.371 0.000 1.145 29 P CA 2.773 65.737 63.100 -0.227 0.000 0.795 29 P CB 0.017 31.617 31.700 -0.168 0.000 0.775 30 G N -0.106 108.308 108.800 -0.642 0.000 2.484 30 G HA2 -0.365 nan 3.960 nan 0.000 0.215 30 G HA3 -0.365 nan 3.960 nan 0.000 0.215 30 G C 1.285 176.090 174.900 -0.157 0.000 1.219 30 G CA 2.095 46.899 45.100 -0.493 0.000 0.791 30 G HN -0.172 7.634 8.290 -0.731 0.046 0.550 31 L N 1.555 122.722 121.223 -0.094 0.000 2.127 31 L HA -0.338 nan 4.340 nan 0.000 0.211 31 L C 2.420 179.273 176.870 -0.028 0.000 1.089 31 L CA 2.797 57.621 54.840 -0.027 0.000 0.757 31 L CB -0.293 41.762 42.059 -0.007 0.000 0.899 31 L HN -0.342 7.820 8.230 -0.113 0.000 0.434 32 M N -3.226 116.339 119.600 -0.057 0.000 2.319 32 M HA -0.263 nan 4.480 nan 0.000 0.265 32 M C 2.385 178.665 176.300 -0.034 0.000 1.068 32 M CA 1.388 56.663 55.300 -0.043 0.000 1.118 32 M CB -1.526 31.044 32.600 -0.050 0.000 1.395 32 M HN -0.657 7.560 8.290 -0.089 0.019 0.435 33 R N 0.314 120.784 120.500 -0.050 0.000 2.153 33 R HA -0.213 nan 4.340 nan 0.000 0.218 33 R C 2.529 178.839 176.300 0.016 0.000 1.072 33 R CA 3.237 59.316 56.100 -0.034 0.000 0.990 33 R CB -0.015 30.254 30.300 -0.052 0.000 0.889 33 R HN -0.117 7.999 8.270 -0.085 0.103 0.452 34 M N -1.166 118.477 119.600 0.071 0.000 2.159 34 M HA -0.281 nan 4.480 nan 0.000 0.263 34 M C 2.425 178.857 176.300 0.221 0.000 1.063 34 M CA 2.119 57.553 55.300 0.224 0.000 1.110 34 M CB -1.256 31.439 32.600 0.158 0.000 1.374 34 M HN -0.338 7.866 8.290 0.030 0.105 0.411 35 R N -0.860 119.694 120.500 0.090 0.000 2.070 35 R HA -0.360 nan 4.340 nan 0.000 0.233 35 R C 2.228 178.548 176.300 0.034 0.000 1.137 35 R CA 3.935 60.071 56.100 0.060 0.000 0.945 35 R CB -0.260 30.049 30.300 0.015 0.000 0.845 35 R HN -0.210 8.007 8.270 0.052 0.085 0.430 36 E N -0.852 119.346 120.200 -0.003 0.000 2.204 36 E HA -0.248 nan 4.350 nan 0.000 0.194 36 E C 1.912 178.461 176.600 -0.085 0.000 0.989 36 E CA 2.466 58.845 56.400 -0.034 0.000 0.824 36 E CB -0.613 29.064 29.700 -0.039 0.000 0.756 36 E HN -0.357 8.001 8.360 -0.004 0.000 0.477 37 M N -2.921 116.591 119.600 -0.147 0.000 2.334 37 M HA -0.157 nan 4.480 nan 0.000 0.266 37 M C 1.316 177.284 176.300 -0.554 0.000 1.082 37 M CA 3.099 58.157 55.300 -0.403 0.000 1.141 37 M CB 1.439 33.659 32.600 -0.634 0.000 1.380 37 M HN -0.279 7.847 8.290 -0.079 0.116 0.440 38 Y N -6.292 114.010 120.300 0.004 0.000 2.471 38 Y HA 0.087 nan 4.550 nan 0.000 0.249 38 Y C 0.940 176.841 175.900 0.002 0.000 1.116 38 Y CA -0.827 57.277 58.100 0.008 0.000 1.240 38 Y CB 1.629 40.096 38.460 0.013 0.000 1.251 38 Y HN -0.169 8.141 8.280 0.049 0.000 0.527 39 S N 1.984 117.751 115.700 0.111 0.000 3.544 39 S HA -0.112 nan 4.470 nan 0.000 0.227 39 S C -0.569 174.056 174.600 0.043 0.000 1.387 39 S CA 0.934 59.174 58.200 0.066 0.000 1.182 39 S CB -2.307 60.915 63.200 0.036 0.000 1.243 39 S HN 0.297 8.654 8.310 0.079 0.000 0.467 40 A N 1.691 124.544 122.820 0.055 0.000 1.472 40 A HA 0.170 nan 4.320 nan 0.000 0.214 40 A C 0.251 177.867 177.584 0.054 0.000 1.836 40 A CA 1.067 53.127 52.037 0.037 0.000 1.436 40 A CB 0.203 19.213 19.000 0.017 0.000 1.362 40 A HN -0.056 8.102 8.150 0.088 0.045 0.359 41 S N -0.240 115.509 115.700 0.081 0.000 2.447 41 S HA -0.210 nan 4.470 nan 0.000 0.233 41 S C 1.149 175.812 174.600 0.105 0.000 1.006 41 S CA 1.030 59.291 58.200 0.102 0.000 0.957 41 S CB 0.075 63.371 63.200 0.160 0.000 0.773 41 S HN -0.141 8.221 8.310 0.087 0.000 0.507 42 K N -0.047 120.416 120.400 0.106 0.000 3.540 42 K HA -0.198 nan 4.320 nan 0.000 0.274 42 K C -0.631 176.015 176.600 0.075 0.000 0.890 42 K CA 0.249 56.580 56.287 0.074 0.000 0.701 42 K CB -1.810 30.718 32.500 0.048 0.000 1.523 42 K HN -0.091 8.274 8.250 0.118 -0.045 0.450 43 P HA -0.170 nan 4.420 nan 0.000 0.219 43 P C -0.062 177.314 177.300 0.127 0.000 1.146 43 P CA 2.278 65.427 63.100 0.081 0.000 0.808 43 P CB 0.128 31.816 31.700 -0.019 0.000 0.779 44 L N -3.743 117.481 121.223 0.002 0.000 2.653 44 L HA 0.067 nan 4.340 nan 0.000 0.231 44 L C -0.239 176.508 176.870 -0.205 0.000 1.153 44 L CA -1.043 53.688 54.840 -0.182 0.000 0.933 44 L CB -0.401 41.503 42.059 -0.258 0.000 1.175 44 L HN -0.053 8.123 8.230 -0.024 0.040 0.473 45 K N 0.638 121.046 120.400 0.014 0.000 2.437 45 K HA -0.335 nan 4.320 nan 0.000 0.277 45 K C 0.826 177.499 176.600 0.122 0.000 1.073 45 K CA 1.658 57.967 56.287 0.037 0.000 1.105 45 K CB -0.776 31.775 32.500 0.084 0.000 0.881 45 K HN -0.420 7.687 8.250 0.072 0.187 0.475 46 G N 3.744 112.528 108.800 -0.026 0.000 2.436 46 G HA2 -0.368 nan 3.960 nan 0.000 0.204 46 G HA3 -0.368 nan 3.960 nan 0.000 0.204 46 G C -1.542 173.119 174.900 -0.399 0.000 1.026 46 G CA -0.222 44.917 45.100 0.065 0.000 0.658 46 G HN -0.048 8.176 8.290 -0.111 0.000 0.499 47 A N 2.603 124.744 122.820 -1.133 0.000 2.531 47 A HA -0.163 nan 4.320 nan 0.000 0.236 47 A C -0.848 176.251 177.584 -0.809 0.000 1.062 47 A CA 0.722 51.853 52.037 -1.510 0.000 0.760 47 A CB 0.462 18.540 19.000 -1.536 0.000 0.995 47 A HN -0.145 7.209 8.150 -1.027 0.179 0.501 48 R N 2.656 122.666 120.500 -0.816 0.000 2.494 48 R HA 0.450 nan 4.340 nan 0.000 0.284 48 R C -1.006 174.809 176.300 -0.808 0.000 1.525 48 R CA -1.535 53.876 56.100 -1.148 0.000 1.460 48 R CB 0.799 30.130 30.300 -1.615 0.000 1.134 48 R HN 0.824 9.054 8.270 -0.791 -0.434 0.592 49 I N 3.641 123.993 120.570 -0.363 0.000 2.379 49 I HA 0.003 nan 4.170 nan 0.000 0.290 49 I C -1.792 174.395 176.117 0.117 0.000 1.063 49 I CA -0.010 61.227 61.300 -0.106 0.000 1.351 49 I CB 0.385 38.353 38.000 -0.054 0.000 1.410 49 I HN 0.815 8.827 8.210 -0.329 0.000 0.505 50 A N 8.667 131.496 122.820 0.014 0.000 2.289 50 A HA 0.674 nan 4.320 nan 0.000 0.298 50 A C -1.520 175.821 177.584 -0.405 0.000 1.208 50 A CA -1.314 50.668 52.037 -0.092 0.000 0.845 50 A CB 0.986 19.916 19.000 -0.117 0.000 1.125 50 A HN 0.143 8.259 8.150 -0.057 0.000 0.517 51 G N 1.006 109.310 108.800 -0.826 0.000 2.530 51 G HA2 0.512 nan 3.960 nan 0.000 0.316 51 G HA3 0.512 nan 3.960 nan 0.000 0.316 51 G C -2.875 171.090 174.900 -1.559 0.000 1.298 51 G CA -1.247 42.840 45.100 -1.689 0.000 0.948 51 G HN 0.215 8.117 8.290 -0.648 0.000 0.486 52 C N 7.435 126.202 119.300 -0.889 0.000 2.301 52 C HA 0.908 nan 4.460 nan 0.000 0.313 52 C C -2.066 172.792 174.990 -0.220 0.000 1.121 52 C CA -1.825 56.892 59.018 -0.502 0.000 1.507 52 C CB -0.810 26.756 27.740 -0.290 0.000 1.975 52 C HN 0.489 8.308 8.230 -0.685 0.000 0.425 53 L N 5.991 127.209 121.223 -0.008 0.000 2.549 53 L HA 0.382 nan 4.340 nan 0.000 0.259 53 L C -1.505 175.670 176.870 0.509 0.000 0.934 53 L CA -0.683 54.373 54.840 0.359 0.000 0.865 53 L CB 4.882 47.192 42.059 0.418 0.000 1.352 53 L HN 0.758 8.917 8.230 -0.118 0.000 0.410 54 H N 4.254 123.445 119.070 0.203 0.000 3.237 54 H HA -0.240 nan 4.556 nan 0.000 0.263 54 H C -0.657 174.759 175.328 0.148 0.000 0.854 54 H CA 0.999 57.147 56.048 0.167 0.000 1.416 54 H CB -0.842 29.018 29.762 0.163 0.000 1.432 54 H HN 0.296 9.219 8.280 1.070 0.000 0.529 55 M N 6.288 126.025 119.600 0.228 0.000 2.685 55 M HA -0.012 nan 4.480 nan 0.000 0.316 55 M C -1.530 174.802 176.300 0.053 0.000 1.523 55 M CA -0.936 54.427 55.300 0.105 0.000 1.472 55 M CB -0.829 31.827 32.600 0.094 0.000 1.525 55 M HN 0.294 8.702 8.290 0.197 0.000 0.471 56 T N 0.923 115.491 114.554 0.024 0.000 2.858 56 T HA 0.582 nan 4.350 nan 0.000 0.285 56 T C 0.335 174.986 174.700 -0.082 0.000 1.052 56 T CA -1.939 60.166 62.100 0.008 0.000 1.009 56 T CB 3.543 72.470 68.868 0.098 0.000 1.241 56 T HN -0.285 7.960 8.240 0.008 0.000 0.542 57 V N 1.283 121.132 119.914 -0.108 0.000 2.252 57 V HA -0.479 nan 4.120 nan 0.000 0.249 57 V C 1.743 177.793 176.094 -0.073 0.000 1.056 57 V CA 5.271 67.477 62.300 -0.157 0.000 1.022 57 V CB -0.831 30.900 31.823 -0.153 0.000 0.641 57 V HN 0.865 9.422 8.190 -0.073 -0.411 0.445 58 E N -2.454 117.770 120.200 0.039 0.000 2.085 58 E HA -0.377 nan 4.350 nan 0.000 0.194 58 E C 2.631 179.317 176.600 0.142 0.000 0.994 58 E CA 3.547 60.043 56.400 0.160 0.000 0.801 58 E CB -0.690 29.183 29.700 0.288 0.000 0.743 58 E HN 0.386 8.780 8.360 0.057 0.000 0.453 59 T N 2.388 116.945 114.554 0.005 0.000 2.867 59 T HA -0.196 nan 4.350 nan 0.000 0.268 59 T C 1.582 175.986 174.700 -0.493 0.000 1.057 59 T CA 4.501 66.349 62.100 -0.421 0.000 1.136 59 T CB -0.763 67.909 68.868 -0.327 0.000 0.874 59 T HN -0.653 7.636 8.240 0.082 0.000 0.466 60 A N 1.162 123.780 122.820 -0.335 0.000 1.930 60 A HA -0.129 nan 4.320 nan 0.000 0.217 60 A C 1.602 179.013 177.584 -0.288 0.000 1.175 60 A CA 3.275 55.101 52.037 -0.351 0.000 0.627 60 A CB -0.791 18.044 19.000 -0.274 0.000 0.815 60 A HN 0.212 8.102 8.150 -0.229 0.122 0.443 61 V N -0.406 119.392 119.914 -0.193 0.000 2.515 61 V HA -0.375 nan 4.120 nan 0.000 0.250 61 V C 1.757 177.759 176.094 -0.154 0.000 1.058 61 V CA 3.667 65.888 62.300 -0.131 0.000 1.064 61 V CB -1.190 30.601 31.823 -0.053 0.000 0.675 61 V HN -0.091 7.918 8.190 -0.157 0.087 0.461 62 L N 0.077 121.168 121.223 -0.219 0.000 1.976 62 L HA -0.311 nan 4.340 nan 0.000 0.209 62 L C 1.436 178.108 176.870 -0.331 0.000 1.071 62 L CA 3.195 57.879 54.840 -0.259 0.000 0.746 62 L CB -0.356 41.419 42.059 -0.472 0.000 0.890 62 L HN -0.451 7.530 8.230 -0.237 0.107 0.432 63 I N -1.330 118.911 120.570 -0.549 0.000 2.091 63 I HA -0.765 nan 4.170 nan 0.000 0.240 63 I C 2.026 177.972 176.117 -0.286 0.000 1.046 63 I CA 4.531 65.494 61.300 -0.562 0.000 1.306 63 I CB -0.511 37.056 38.000 -0.722 0.000 1.018 63 I HN 0.158 7.963 8.210 -0.674 0.000 0.404 64 E N -2.664 117.394 120.200 -0.236 0.000 2.265 64 E HA -0.367 nan 4.350 nan 0.000 0.196 64 E C 2.799 179.335 176.600 -0.106 0.000 0.996 64 E CA 3.193 59.505 56.400 -0.147 0.000 0.832 64 E CB -0.515 29.107 29.700 -0.129 0.000 0.756 64 E HN -0.076 8.121 8.360 -0.271 0.000 0.491 65 T N 3.068 117.556 114.554 -0.110 0.000 2.812 65 T HA -0.175 nan 4.350 nan 0.000 0.264 65 T C 1.933 176.595 174.700 -0.063 0.000 1.042 65 T CA 4.207 66.267 62.100 -0.066 0.000 1.140 65 T CB -0.576 68.261 68.868 -0.052 0.000 0.870 65 T HN -0.041 7.976 8.240 -0.143 0.137 0.445 66 L N 0.540 121.709 121.223 -0.090 0.000 2.017 66 L HA -0.387 nan 4.340 nan 0.000 0.208 66 L C 1.822 178.648 176.870 -0.073 0.000 1.073 66 L CA 3.556 58.349 54.840 -0.079 0.000 0.745 66 L CB -0.470 41.551 42.059 -0.063 0.000 0.894 66 L HN -0.249 7.824 8.230 -0.124 0.083 0.432 67 V N -1.457 118.414 119.914 -0.072 0.000 2.332 67 V HA -0.454 nan 4.120 nan 0.000 0.248 67 V C 2.213 178.281 176.094 -0.043 0.000 1.055 67 V CA 4.209 66.476 62.300 -0.055 0.000 1.038 67 V CB -1.024 30.765 31.823 -0.057 0.000 0.651 67 V HN 0.270 8.405 8.190 -0.091 0.000 0.450 68 A N -1.154 121.642 122.820 -0.040 0.000 2.121 68 A HA -0.083 nan 4.320 nan 0.000 0.218 68 A C 0.714 178.298 177.584 -0.000 0.000 1.154 68 A CA 2.602 54.628 52.037 -0.018 0.000 0.679 68 A CB -0.195 18.796 19.000 -0.015 0.000 0.795 68 A HN -0.051 7.878 8.150 -0.051 0.190 0.458 69 L N -3.786 117.430 121.223 -0.011 0.000 2.653 69 L HA 0.091 nan 4.340 nan 0.000 0.232 69 L C -0.409 176.449 176.870 -0.019 0.000 1.169 69 L CA -1.115 53.727 54.840 0.004 0.000 0.951 69 L CB -0.329 41.715 42.059 -0.026 0.000 1.181 69 L HN -0.655 7.389 8.230 -0.033 0.166 0.460 70 G N -2.819 105.963 108.800 -0.030 0.000 2.141 70 G HA2 -0.418 nan 3.960 nan 0.000 0.231 70 G HA3 -0.418 nan 3.960 nan 0.000 0.231 70 G C -1.627 173.214 174.900 -0.097 0.000 0.984 70 G CA 0.092 45.168 45.100 -0.041 0.000 0.660 70 G HN -0.371 7.811 8.290 -0.027 0.092 0.525 71 A N -0.413 122.334 122.820 -0.123 0.000 2.327 71 A HA 0.321 nan 4.320 nan 0.000 0.283 71 A C -1.198 176.314 177.584 -0.120 0.000 1.127 71 A CA -1.233 50.693 52.037 -0.186 0.000 0.810 71 A CB 0.933 19.819 19.000 -0.191 0.000 1.066 71 A HN -0.472 7.621 8.150 -0.095 0.000 0.492 72 E N 3.722 123.825 120.200 -0.161 0.000 2.174 72 E HA 0.231 nan 4.350 nan 0.000 0.282 72 E C -1.692 174.951 176.600 0.071 0.000 0.992 72 E CA -0.773 55.604 56.400 -0.037 0.000 0.803 72 E CB 2.015 31.649 29.700 -0.110 0.000 1.090 72 E HN 0.464 8.550 8.360 -0.283 0.105 0.396 73 V N 3.223 123.287 119.914 0.250 0.000 2.876 73 V HA 0.584 nan 4.120 nan 0.000 0.312 73 V C -1.083 175.218 176.094 0.345 0.000 1.085 73 V CA -1.368 61.142 62.300 0.350 0.000 0.945 73 V CB 3.200 35.169 31.823 0.243 0.000 1.017 73 V HN 0.257 8.569 8.190 0.203 0.000 0.428 74 R N 2.159 122.849 120.500 0.317 0.000 2.575 74 R HA 0.627 nan 4.340 nan 0.000 0.293 74 R C -2.187 174.248 176.300 0.226 0.000 0.983 74 R CA -0.864 55.312 56.100 0.127 0.000 0.887 74 R CB 3.725 33.890 30.300 -0.225 0.000 1.184 74 R HN 0.571 9.077 8.270 0.394 0.000 0.445 75 W N 3.242 124.547 121.300 0.009 0.000 2.781 75 W HA 0.664 nan 4.660 nan 0.000 0.345 75 W C -2.241 174.295 176.519 0.029 0.000 1.085 75 W CA -1.364 55.976 57.345 -0.009 0.000 1.198 75 W CB 4.654 34.086 29.460 -0.046 0.000 1.423 75 W HN 0.895 9.259 8.180 0.307 0.000 0.532 76 S N 0.932 116.567 115.700 -0.108 0.000 2.540 76 S HA 0.539 nan 4.470 nan 0.000 0.275 76 S C -1.943 172.627 174.600 -0.050 0.000 1.123 76 S CA -0.923 57.226 58.200 -0.085 0.000 0.907 76 S CB 3.412 66.443 63.200 -0.281 0.000 1.081 76 S HN 0.744 8.676 8.310 -0.629 0.000 0.476 77 S N 2.167 117.881 115.700 0.023 0.000 2.513 77 S HA 0.194 nan 4.470 nan 0.000 0.276 77 S C 0.392 175.040 174.600 0.079 0.000 1.254 77 S CA -0.783 57.467 58.200 0.083 0.000 1.053 77 S CB 1.109 64.341 63.200 0.054 0.000 0.958 77 S HN 0.211 8.512 8.310 -0.015 0.000 0.491 78 C N 3.237 122.600 119.300 0.105 0.000 2.507 78 C HA 0.223 nan 4.460 nan 0.000 0.301 78 C C -0.397 174.576 174.990 -0.028 0.000 1.351 78 C CA -1.787 57.330 59.018 0.165 0.000 1.650 78 C CB -1.874 25.974 27.740 0.181 0.000 1.676 78 C HN 0.510 8.850 8.230 0.166 -0.010 0.594 79 N N 0.379 118.979 118.700 -0.167 0.000 2.493 79 N HA 0.133 nan 4.740 nan 0.000 0.279 79 N C -0.630 174.684 175.510 -0.328 0.000 1.082 79 N CA -0.091 52.734 53.050 -0.376 0.000 0.963 79 N CB 2.469 40.645 38.487 -0.518 0.000 1.627 79 N HN -0.743 7.484 8.380 -0.069 0.111 0.499 80 I N -1.173 119.090 120.570 -0.513 0.000 2.248 80 I HA -0.355 nan 4.170 nan 0.000 0.248 80 I C 0.260 176.036 176.117 -0.568 0.000 1.107 80 I CA 2.875 63.803 61.300 -0.620 0.000 1.373 80 I CB -0.229 37.219 38.000 -0.921 0.000 1.055 80 I HN 0.406 8.229 8.210 -0.646 0.000 0.418 81 F N -1.717 118.151 119.950 -0.137 0.000 2.678 81 F HA 0.163 nan 4.527 nan 0.000 0.291 81 F C 1.337 177.115 175.800 -0.035 0.000 1.123 81 F CA 0.593 58.551 58.000 -0.070 0.000 1.395 81 F CB -0.185 38.780 39.000 -0.057 0.000 1.121 81 F HN -0.148 8.145 8.300 -0.400 -0.233 0.592 82 S N -0.517 115.228 115.700 0.075 0.000 2.419 82 S HA -0.301 nan 4.470 nan 0.000 0.235 82 S C 0.933 175.609 174.600 0.127 0.000 1.019 82 S CA 2.342 60.600 58.200 0.097 0.000 0.982 82 S CB -0.175 62.999 63.200 -0.043 0.000 0.789 82 S HN -0.193 8.377 8.310 -0.045 -0.288 0.490 83 T N 2.889 117.492 114.554 0.082 0.000 2.888 83 T HA -0.066 nan 4.350 nan 0.000 0.301 83 T C -1.005 173.764 174.700 0.115 0.000 1.001 83 T CA 0.392 62.549 62.100 0.095 0.000 1.147 83 T CB 0.340 69.246 68.868 0.062 0.000 0.931 83 T HN -0.659 7.549 8.240 0.031 0.050 0.541 84 Q N 8.224 128.081 119.800 0.095 0.000 2.340 84 Q HA 0.230 nan 4.340 nan 0.000 0.259 84 Q C 0.575 176.632 176.000 0.096 0.000 0.964 84 Q CA -1.060 54.807 55.803 0.107 0.000 0.900 84 Q CB 1.570 30.358 28.738 0.083 0.000 1.228 84 Q HN 0.839 9.041 8.270 0.070 0.110 0.449 85 D N 7.529 128.020 120.400 0.151 0.000 2.123 85 D HA -0.373 nan 4.640 nan 0.000 0.196 85 D C 1.503 177.866 176.300 0.104 0.000 0.992 85 D CA 4.356 58.447 54.000 0.151 0.000 0.833 85 D CB -0.121 40.803 40.800 0.207 0.000 0.954 85 D HN 0.790 9.260 8.370 0.166 0.000 0.455 86 H N -2.915 116.026 119.070 -0.216 0.000 2.489 86 H HA -0.126 nan 4.556 nan 0.000 0.293 86 H C 1.205 176.384 175.328 -0.249 0.000 1.066 86 H CA 2.354 58.226 56.048 -0.293 0.000 1.305 86 H CB -1.280 27.956 29.762 -0.878 0.000 1.386 86 H HN 0.241 8.641 8.280 0.199 0.000 0.551 87 A N -0.529 121.977 122.820 -0.522 0.000 1.878 87 A HA -0.153 nan 4.320 nan 0.000 0.213 87 A C 1.543 178.981 177.584 -0.243 0.000 1.192 87 A CA 2.396 54.155 52.037 -0.464 0.000 0.619 87 A CB -0.512 18.227 19.000 -0.435 0.000 0.837 87 A HN -0.464 7.329 8.150 -0.345 0.149 0.446 88 A N -1.746 120.989 122.820 -0.141 0.000 1.930 88 A HA -0.260 nan 4.320 nan 0.000 0.217 88 A C 1.744 179.252 177.584 -0.126 0.000 1.175 88 A CA 2.738 54.718 52.037 -0.094 0.000 0.627 88 A CB -0.641 18.366 19.000 0.012 0.000 0.815 88 A HN -0.235 7.852 8.150 -0.105 0.000 0.443 89 A N -2.121 120.643 122.820 -0.093 0.000 1.883 89 A HA -0.333 nan 4.320 nan 0.000 0.217 89 A C 1.714 179.207 177.584 -0.151 0.000 1.186 89 A CA 3.136 55.111 52.037 -0.103 0.000 0.624 89 A CB -0.801 18.197 19.000 -0.003 0.000 0.822 89 A HN 0.426 8.425 8.150 -0.059 0.116 0.444 90 A N -1.397 121.338 122.820 -0.142 0.000 1.902 90 A HA -0.289 nan 4.320 nan 0.000 0.217 90 A C 2.288 179.772 177.584 -0.166 0.000 1.181 90 A CA 3.014 54.967 52.037 -0.140 0.000 0.623 90 A CB -0.711 18.198 19.000 -0.152 0.000 0.818 90 A HN -0.574 7.487 8.150 -0.150 0.000 0.443 91 I N -1.687 118.767 120.570 -0.193 0.000 2.179 91 I HA -0.456 nan 4.170 nan 0.000 0.242 91 I C 2.066 178.049 176.117 -0.223 0.000 1.088 91 I CA 1.945 63.127 61.300 -0.196 0.000 1.357 91 I CB -1.313 36.561 38.000 -0.210 0.000 1.051 91 I HN -0.435 7.656 8.210 -0.198 0.000 0.409 92 A N -0.801 121.826 122.820 -0.321 0.000 1.883 92 A HA -0.357 nan 4.320 nan 0.000 0.217 92 A C 2.406 179.701 177.584 -0.482 0.000 1.186 92 A CA 3.383 55.069 52.037 -0.585 0.000 0.624 92 A CB -0.920 17.491 19.000 -0.980 0.000 0.822 92 A HN 0.378 8.353 8.150 -0.291 0.000 0.444 93 K N -0.112 120.089 120.400 -0.331 0.000 2.147 93 K HA -0.251 nan 4.320 nan 0.000 0.205 93 K C 1.473 178.008 176.600 -0.108 0.000 1.049 93 K CA 2.291 58.470 56.287 -0.181 0.000 0.936 93 K CB 0.080 32.508 32.500 -0.119 0.000 0.722 93 K HN 0.161 8.117 8.250 -0.310 0.107 0.446 94 A N -3.667 119.083 122.820 -0.117 0.000 2.216 94 A HA -0.066 nan 4.320 nan 0.000 0.214 94 A C 0.053 177.604 177.584 -0.054 0.000 1.160 94 A CA 0.453 52.443 52.037 -0.079 0.000 0.725 94 A CB 0.112 19.056 19.000 -0.094 0.000 0.784 94 A HN -0.165 7.670 8.150 -0.151 0.225 0.472 95 G N -3.125 105.643 108.800 -0.053 0.000 2.131 95 G HA2 -0.347 nan 3.960 nan 0.000 0.223 95 G HA3 -0.347 nan 3.960 nan 0.000 0.223 95 G C -0.886 174.017 174.900 0.006 0.000 0.990 95 G CA -0.179 44.923 45.100 0.003 0.000 0.671 95 G HN -0.339 7.684 8.290 -0.096 0.210 0.521 96 I N 0.220 120.766 120.570 -0.041 0.000 2.359 96 I HA 0.296 nan 4.170 nan 0.000 0.294 96 I C -2.097 173.994 176.117 -0.043 0.000 0.987 96 I CA -3.280 58.002 61.300 -0.030 0.000 1.225 96 I CB 1.592 39.557 38.000 -0.058 0.000 1.366 96 I HN -0.419 7.737 8.210 -0.091 0.000 0.466 97 P HA 0.036 nan 4.420 nan 0.000 0.259 97 P C -1.678 175.475 177.300 -0.246 0.000 1.635 97 P CA -0.201 62.814 63.100 -0.142 0.000 1.199 97 P CB -1.928 29.773 31.700 0.001 0.000 1.850 98 V N -1.754 117.961 119.914 -0.332 0.000 2.435 98 V HA 0.775 nan 4.120 nan 0.000 0.290 98 V C -1.563 174.320 176.094 -0.352 0.000 1.030 98 V CA -2.621 59.578 62.300 -0.169 0.000 0.881 98 V CB 1.632 33.420 31.823 -0.059 0.000 0.983 98 V HN -0.329 7.666 8.190 -0.285 0.024 0.445 99 F N 5.493 125.519 119.950 0.126 0.000 2.434 99 F HA 0.756 nan 4.527 nan 0.000 0.367 99 F C -1.867 174.040 175.800 0.178 0.000 1.093 99 F CA -1.661 56.456 58.000 0.196 0.000 1.085 99 F CB 0.716 39.666 39.000 -0.083 0.000 1.322 99 F HN 0.340 8.833 8.300 0.322 0.000 0.452 100 A N 3.180 126.270 122.820 0.449 0.000 2.585 100 A HA 0.480 nan 4.320 nan 0.000 0.299 100 A C -3.046 174.756 177.584 0.364 0.000 1.047 100 A CA 0.768 52.894 52.037 0.149 0.000 0.723 100 A CB 2.598 21.641 19.000 0.072 0.000 1.275 100 A HN 0.501 9.006 8.150 0.592 0.000 0.408 101 W N -1.687 119.705 121.300 0.154 0.000 3.167 101 W HA 0.325 nan 4.660 nan 0.000 0.324 101 W C -2.131 174.468 176.519 0.133 0.000 1.230 101 W CA -2.245 55.181 57.345 0.135 0.000 1.184 101 W CB 2.100 31.644 29.460 0.139 0.000 1.414 101 W HN 0.451 8.525 8.180 -0.743 -0.340 0.551 102 K N 2.264 122.811 120.400 0.246 0.000 2.383 102 K HA -0.317 nan 4.320 nan 0.000 0.286 102 K C 0.596 177.379 176.600 0.304 0.000 1.051 102 K CA 0.434 56.850 56.287 0.216 0.000 0.974 102 K CB -0.357 32.286 32.500 0.239 0.000 0.968 102 K HN -0.068 8.731 8.250 0.328 -0.353 0.475 103 G N 6.555 115.521 108.800 0.277 0.000 2.392 103 G HA2 -0.361 nan 3.960 nan 0.000 0.215 103 G HA3 -0.361 nan 3.960 nan 0.000 0.215 103 G C -1.012 173.970 174.900 0.138 0.000 1.097 103 G CA -0.614 44.716 45.100 0.384 0.000 0.840 103 G HN 0.498 8.745 8.290 0.112 0.110 0.492 104 E N 0.174 120.232 120.200 -0.237 0.000 2.359 104 E HA 0.338 nan 4.350 nan 0.000 0.255 104 E C -0.442 176.096 176.600 -0.104 0.000 1.191 104 E CA -0.778 55.521 56.400 -0.168 0.000 0.952 104 E CB 1.163 30.565 29.700 -0.497 0.000 1.152 104 E HN -0.606 7.481 8.360 -0.456 0.000 0.496 105 T N -4.191 110.377 114.554 0.024 0.000 2.950 105 T HA 0.426 nan 4.350 nan 0.000 0.288 105 T C 0.342 175.056 174.700 0.024 0.000 1.035 105 T CA -2.414 59.698 62.100 0.020 0.000 1.028 105 T CB 1.947 70.864 68.868 0.081 0.000 1.109 105 T HN -0.239 8.216 8.240 0.114 -0.147 0.514 106 D N 1.053 121.456 120.400 0.006 0.000 2.182 106 D HA -0.325 nan 4.640 nan 0.000 0.201 106 D C 2.163 178.542 176.300 0.132 0.000 0.986 106 D CA 4.079 58.105 54.000 0.043 0.000 0.847 106 D CB -0.305 40.502 40.800 0.011 0.000 0.942 106 D HN 0.402 8.766 8.370 -0.010 0.000 0.467 107 E N -0.778 119.487 120.200 0.108 0.000 2.028 107 E HA -0.238 nan 4.350 nan 0.000 0.191 107 E C 2.471 179.188 176.600 0.194 0.000 0.988 107 E CA 2.973 59.448 56.400 0.124 0.000 0.799 107 E CB -0.608 29.140 29.700 0.080 0.000 0.755 107 E HN 0.346 8.726 8.360 0.079 0.027 0.447 108 E N 0.519 120.847 120.200 0.213 0.000 2.204 108 E HA -0.311 nan 4.350 nan 0.000 0.195 108 E C 2.422 179.213 176.600 0.318 0.000 0.990 108 E CA 2.581 59.195 56.400 0.357 0.000 0.821 108 E CB -0.011 29.964 29.700 0.458 0.000 0.750 108 E HN -0.154 8.240 8.360 0.170 0.068 0.477 109 Y N 1.928 122.249 120.300 0.035 0.000 2.109 109 Y HA -0.384 nan 4.550 nan 0.000 0.285 109 Y C 1.383 177.271 175.900 -0.020 0.000 1.131 109 Y CA 3.779 61.837 58.100 -0.070 0.000 1.121 109 Y CB 0.210 38.591 38.460 -0.133 0.000 0.987 109 Y HN 0.266 8.464 8.280 0.238 0.224 0.495 110 L N -2.826 118.397 121.223 0.000 0.000 2.131 110 L HA -0.379 nan 4.340 nan 0.000 0.210 110 L C 2.268 179.090 176.870 -0.081 0.000 1.092 110 L CA 2.491 57.282 54.840 -0.082 0.000 0.759 110 L CB -1.568 40.530 42.059 0.065 0.000 0.903 110 L HN -0.283 8.067 8.230 0.200 0.000 0.435 111 W N 0.609 121.841 121.300 -0.113 0.000 2.333 111 W HA -0.412 nan 4.660 nan 0.000 0.316 111 W C 1.511 177.914 176.519 -0.193 0.000 1.215 111 W CA 4.817 62.102 57.345 -0.100 0.000 1.278 111 W CB -0.567 28.891 29.460 -0.002 0.000 1.154 111 W HN -0.213 8.114 8.180 0.265 0.013 0.486 112 C N -1.428 117.652 119.300 -0.366 0.000 2.376 112 C HA -0.504 nan 4.460 nan 0.000 0.275 112 C C 2.731 177.314 174.990 -0.679 0.000 1.200 112 C CA 4.416 63.045 59.018 -0.650 0.000 1.756 112 C CB -1.470 26.113 27.740 -0.263 0.000 2.050 112 C HN -0.196 8.099 8.230 0.109 0.000 0.460 113 I N -0.969 119.261 120.570 -0.567 0.000 2.163 113 I HA -0.538 nan 4.170 nan 0.000 0.243 113 I C 2.187 177.997 176.117 -0.511 0.000 1.085 113 I CA 3.918 64.909 61.300 -0.515 0.000 1.347 113 I CB -0.363 37.346 38.000 -0.486 0.000 1.044 113 I HN -0.437 7.435 8.210 -0.563 0.000 0.408 114 E N -0.611 119.291 120.200 -0.497 0.000 2.153 114 E HA -0.359 nan 4.350 nan 0.000 0.194 114 E C 2.879 179.149 176.600 -0.549 0.000 0.988 114 E CA 2.986 59.108 56.400 -0.464 0.000 0.811 114 E CB -0.518 29.005 29.700 -0.296 0.000 0.746 114 E HN -0.511 7.577 8.360 -0.454 0.000 0.466 115 Q N -2.759 116.546 119.800 -0.825 0.000 2.541 115 Q HA -0.115 nan 4.340 nan 0.000 0.215 115 Q C 1.403 176.916 176.000 -0.812 0.000 0.977 115 Q CA 2.147 57.313 55.803 -1.061 0.000 0.934 115 Q CB -0.564 26.913 28.738 -2.100 0.000 0.988 115 Q HN -0.249 7.337 8.270 -0.933 0.125 0.521 116 T N -6.831 107.372 114.554 -0.584 0.000 3.044 116 T HA 0.258 nan 4.350 nan 0.000 0.260 116 T C 0.831 175.272 174.700 -0.431 0.000 1.019 116 T CA 0.019 61.858 62.100 -0.436 0.000 0.921 116 T CB 0.365 69.047 68.868 -0.311 0.000 1.053 116 T HN -0.363 7.362 8.240 -0.573 0.171 0.533 117 L N -0.951 119.998 121.223 -0.455 0.000 2.217 117 L HA -0.095 nan 4.340 nan 0.000 0.211 117 L C -0.267 176.241 176.870 -0.604 0.000 1.107 117 L CA 2.508 57.031 54.840 -0.528 0.000 0.783 117 L CB 0.256 41.888 42.059 -0.713 0.000 0.919 117 L HN -0.852 7.045 8.230 -0.470 0.051 0.442 118 H N -4.437 114.520 119.070 -0.189 0.000 2.589 118 H HA 0.381 nan 4.556 nan 0.000 0.335 118 H C -0.812 174.406 175.328 -0.182 0.000 1.019 118 H CA -1.715 54.289 56.048 -0.074 0.000 1.213 118 H CB 1.728 31.451 29.762 -0.066 0.000 1.472 118 H HN -0.646 7.401 8.280 -0.333 0.034 0.508 119 F N 2.431 122.415 119.950 0.057 0.000 2.364 119 F HA 0.184 nan 4.527 nan 0.000 0.316 119 F C 1.322 177.151 175.800 0.048 0.000 1.133 119 F CA -0.978 57.044 58.000 0.037 0.000 1.051 119 F CB 1.120 40.122 39.000 0.004 0.000 1.342 119 F HN 0.827 9.374 8.300 0.570 0.095 0.507 120 K N 0.220 120.755 120.400 0.225 0.000 2.147 120 K HA -0.232 nan 4.320 nan 0.000 0.205 120 K C 0.005 176.677 176.600 0.120 0.000 1.049 120 K CA 2.748 59.113 56.287 0.131 0.000 0.936 120 K CB 0.162 32.728 32.500 0.109 0.000 0.722 120 K HN 0.715 9.133 8.250 0.281 0.000 0.446 121 D N -4.997 115.490 120.400 0.146 0.000 3.010 121 D HA 0.141 nan 4.640 nan 0.000 0.347 121 D C -0.467 175.896 176.300 0.105 0.000 1.340 121 D CA -0.421 53.638 54.000 0.099 0.000 0.858 121 D CB -0.976 39.864 40.800 0.067 0.000 1.111 121 D HN -0.393 8.074 8.370 0.204 0.026 0.482 122 G N -0.062 108.827 108.800 0.147 0.000 2.423 122 G HA2 -0.219 nan 3.960 nan 0.000 0.684 122 G HA3 -0.219 nan 3.960 nan 0.000 0.684 122 G C -3.265 171.783 174.900 0.248 0.000 1.309 122 G CA -0.559 44.634 45.100 0.155 0.000 0.950 122 G HN -0.699 7.687 8.290 0.161 0.000 0.587 123 P HA 0.496 nan 4.420 nan 0.000 0.278 123 P C -0.481 176.881 177.300 0.103 0.000 1.266 123 P CA -1.102 62.111 63.100 0.189 0.000 0.807 123 P CB 1.113 32.875 31.700 0.103 0.000 1.094 124 L N -4.490 116.802 121.223 0.115 0.000 2.554 124 L HA -0.239 nan 4.340 nan 0.000 0.293 124 L C -0.413 176.395 176.870 -0.103 0.000 1.252 124 L CA 1.353 56.176 54.840 -0.028 0.000 0.862 124 L CB -0.284 41.809 42.059 0.058 0.000 1.113 124 L HN 0.283 8.462 8.230 0.088 0.104 0.510 125 N N -0.639 117.961 118.700 -0.167 0.000 2.194 125 N HA 0.175 nan 4.740 nan 0.000 0.231 125 N C -1.253 174.254 175.510 -0.004 0.000 1.247 125 N CA -0.544 52.486 53.050 -0.033 0.000 0.884 125 N CB 1.977 40.507 38.487 0.071 0.000 1.146 125 N HN 0.013 8.208 8.380 -0.307 0.000 0.516 126 M N -1.609 117.930 119.600 -0.103 0.000 2.520 126 M HA 0.528 nan 4.480 nan 0.000 0.280 126 M C -2.289 173.950 176.300 -0.102 0.000 1.232 126 M CA -0.132 55.117 55.300 -0.085 0.000 0.892 126 M CB 5.486 37.983 32.600 -0.172 0.000 1.728 126 M HN -0.838 7.304 8.290 -0.145 0.061 0.475 127 I N 0.173 120.693 120.570 -0.084 0.000 2.533 127 I HA 0.669 nan 4.170 nan 0.000 0.290 127 I C -2.048 174.003 176.117 -0.109 0.000 1.056 127 I CA -0.763 60.471 61.300 -0.111 0.000 1.057 127 I CB 3.700 41.646 38.000 -0.091 0.000 1.240 127 I HN 0.230 8.407 8.210 -0.055 0.000 0.423 128 L N 6.795 127.916 121.223 -0.170 0.000 2.401 128 L HA 0.533 nan 4.340 nan 0.000 0.263 128 L C -2.684 174.074 176.870 -0.187 0.000 1.004 128 L CA -1.213 53.545 54.840 -0.136 0.000 0.881 128 L CB 1.756 43.758 42.059 -0.096 0.000 1.219 128 L HN 0.421 8.503 8.230 -0.248 0.000 0.441 129 D N 6.185 126.526 120.400 -0.098 0.000 2.269 129 D HA 0.632 nan 4.640 nan 0.000 0.244 129 D C -2.708 173.592 176.300 0.001 0.000 0.992 129 D CA -1.339 52.615 54.000 -0.077 0.000 0.894 129 D CB 4.032 44.795 40.800 -0.061 0.000 1.248 129 D HN 0.506 8.840 8.370 -0.060 0.000 0.468 130 D N 2.800 123.222 120.400 0.035 0.000 2.575 130 D HA 0.165 nan 4.640 nan 0.000 0.250 130 D C -0.279 176.089 176.300 0.114 0.000 1.279 130 D CA -0.953 53.107 54.000 0.099 0.000 0.925 130 D CB 1.963 42.858 40.800 0.160 0.000 1.261 130 D HN -0.404 7.975 8.370 0.014 0.000 0.567 131 G N 5.891 114.748 108.800 0.096 0.000 3.421 131 G HA2 -0.324 nan 3.960 nan 0.000 0.656 131 G HA3 -0.324 nan 3.960 nan 0.000 0.656 131 G C 0.134 175.074 174.900 0.067 0.000 1.007 131 G CA -0.228 44.930 45.100 0.097 0.000 0.811 131 G HN -0.168 8.366 8.290 0.080 -0.196 0.433 132 G N 3.554 112.386 108.800 0.053 0.000 2.931 132 G HA2 -0.608 nan 3.960 nan 0.000 0.226 132 G HA3 -0.608 nan 3.960 nan 0.000 0.226 132 G C 0.419 175.343 174.900 0.040 0.000 1.086 132 G CA 2.120 47.244 45.100 0.040 0.000 0.734 132 G HN 0.724 9.047 8.290 0.055 0.000 0.650 133 D N 0.674 121.108 120.400 0.055 0.000 2.600 133 D HA -0.355 nan 4.640 nan 0.000 0.194 133 D C 1.927 178.224 176.300 -0.005 0.000 1.040 133 D CA 3.182 57.214 54.000 0.053 0.000 0.871 133 D CB -0.785 40.083 40.800 0.114 0.000 0.973 133 D HN 0.317 8.668 8.370 0.071 0.062 0.470 134 L N -2.360 118.831 121.223 -0.053 0.000 2.017 134 L HA -0.254 nan 4.340 nan 0.000 0.208 134 L C 1.973 178.809 176.870 -0.056 0.000 1.073 134 L CA 2.833 57.606 54.840 -0.110 0.000 0.745 134 L CB -0.098 41.860 42.059 -0.169 0.000 0.894 134 L HN -0.563 7.876 8.230 -0.044 -0.236 0.432 135 T N -2.858 111.697 114.554 0.003 0.000 2.867 135 T HA -0.306 nan 4.350 nan 0.000 0.268 135 T C 2.207 177.035 174.700 0.215 0.000 1.057 135 T CA 3.799 65.963 62.100 0.107 0.000 1.136 135 T CB -0.468 68.472 68.868 0.121 0.000 0.874 135 T HN 0.022 8.563 8.240 -0.003 -0.302 0.466 136 N N 3.258 122.027 118.700 0.114 0.000 2.051 136 N HA -0.245 nan 4.740 nan 0.000 0.192 136 N C 1.671 177.248 175.510 0.112 0.000 1.049 136 N CA 3.294 56.415 53.050 0.118 0.000 0.845 136 N CB -0.017 38.513 38.487 0.071 0.000 1.031 136 N HN -0.199 8.104 8.380 0.065 0.115 0.425 137 L N 0.267 121.525 121.223 0.060 0.000 2.064 137 L HA -0.448 nan 4.340 nan 0.000 0.216 137 L C 1.708 178.653 176.870 0.124 0.000 1.077 137 L CA 3.554 58.435 54.840 0.067 0.000 0.766 137 L CB -0.001 42.047 42.059 -0.019 0.000 0.890 137 L HN 0.207 8.458 8.230 0.035 0.000 0.435 138 I N -3.349 117.232 120.570 0.018 0.000 2.286 138 I HA -0.536 nan 4.170 nan 0.000 0.245 138 I C 2.165 178.266 176.117 -0.026 0.000 1.104 138 I CA 3.988 65.274 61.300 -0.023 0.000 1.397 138 I CB -0.484 37.417 38.000 -0.165 0.000 1.072 138 I HN -0.735 7.454 8.210 -0.023 0.007 0.417 139 H N -1.328 117.761 119.070 0.032 0.000 2.423 139 H HA -0.187 nan 4.556 nan 0.000 0.297 139 H C 1.576 176.921 175.328 0.028 0.000 1.075 139 H CA 3.944 60.007 56.048 0.024 0.000 1.342 139 H CB 0.226 29.994 29.762 0.010 0.000 1.395 139 H HN -0.468 7.780 8.280 0.101 0.092 0.530 140 T N -5.494 109.145 114.554 0.141 0.000 3.046 140 T HA 0.104 nan 4.350 nan 0.000 0.242 140 T C 1.214 175.933 174.700 0.032 0.000 1.018 140 T CA 1.621 63.770 62.100 0.082 0.000 1.131 140 T CB 0.776 69.687 68.868 0.070 0.000 0.904 140 T HN 0.316 8.644 8.240 0.146 0.000 0.459 141 K N -0.957 119.472 120.400 0.047 0.000 2.358 141 K HA 0.092 nan 4.320 nan 0.000 0.197 141 K C -0.462 175.874 176.600 -0.441 0.000 1.025 141 K CA 0.404 56.620 56.287 -0.118 0.000 1.104 141 K CB 1.174 33.637 32.500 -0.061 0.000 0.855 141 K HN -0.167 8.053 8.250 0.121 0.103 0.531 142 H N -2.827 116.227 119.070 -0.026 0.000 3.407 142 H HA 0.273 nan 4.556 nan 0.000 0.222 142 H C -2.034 173.261 175.328 -0.055 0.000 1.357 142 H CA -2.136 53.891 56.048 -0.034 0.000 1.145 142 H CB -1.125 28.606 29.762 -0.051 0.000 2.622 142 H HN -0.516 7.822 8.280 0.097 0.000 0.556 143 P HA -0.246 nan 4.420 nan 0.000 0.224 143 P C 0.540 177.837 177.300 -0.005 0.000 1.142 143 P CA 1.949 65.044 63.100 -0.009 0.000 0.778 143 P CB 0.063 31.768 31.700 0.009 0.000 0.764 144 Q N -2.502 117.308 119.800 0.017 0.000 2.172 144 Q HA -0.202 nan 4.340 nan 0.000 0.200 144 Q C 1.797 177.808 176.000 0.019 0.000 0.964 144 Q CA 2.603 58.419 55.803 0.022 0.000 0.855 144 Q CB -1.384 27.376 28.738 0.037 0.000 0.918 144 Q HN 0.109 8.317 8.270 0.029 0.079 0.444 145 L N -2.749 118.485 121.223 0.018 0.000 2.093 145 L HA -0.325 nan 4.340 nan 0.000 0.208 145 L C 2.047 178.890 176.870 -0.045 0.000 1.085 145 L CA 2.165 57.000 54.840 -0.009 0.000 0.755 145 L CB -0.497 41.538 42.059 -0.040 0.000 0.904 145 L HN -0.246 7.984 8.230 0.037 0.021 0.435 146 L N -1.784 119.390 121.223 -0.082 0.000 2.058 146 L HA -0.512 nan 4.340 nan 0.000 0.226 146 L C 2.254 179.097 176.870 -0.046 0.000 1.089 146 L CA 3.296 58.069 54.840 -0.111 0.000 0.799 146 L CB -1.283 40.697 42.059 -0.131 0.000 0.900 146 L HN -0.016 8.165 8.230 -0.082 0.000 0.442 147 S N -0.713 114.976 115.700 -0.019 0.000 2.400 147 S HA -0.253 nan 4.470 nan 0.000 0.232 147 S C 1.831 176.433 174.600 0.004 0.000 1.025 147 S CA 2.728 60.928 58.200 -0.000 0.000 0.993 147 S CB -0.607 62.596 63.200 0.006 0.000 0.808 147 S HN -0.136 8.158 8.310 -0.017 0.006 0.478 148 G N -0.608 108.193 108.800 0.003 0.000 2.712 148 G HA2 0.013 nan 3.960 nan 0.000 0.212 148 G HA3 0.013 nan 3.960 nan 0.000 0.212 148 G C -0.972 173.940 174.900 0.021 0.000 1.142 148 G CA -0.105 45.003 45.100 0.015 0.000 0.789 148 G HN -0.090 8.067 8.290 -0.004 0.131 0.535 149 I N -0.066 120.505 120.570 0.002 0.000 2.337 149 I HA -0.144 nan 4.170 nan 0.000 0.291 149 I C -0.574 175.565 176.117 0.038 0.000 1.046 149 I CA 0.228 61.533 61.300 0.008 0.000 1.324 149 I CB -0.014 37.965 38.000 -0.035 0.000 1.409 149 I HN -0.586 7.439 8.210 -0.013 0.178 0.494 150 R N 8.261 128.814 120.500 0.088 0.000 2.193 150 R HA -0.050 nan 4.340 nan 0.000 0.213 150 R C -0.392 175.951 176.300 0.071 0.000 1.055 150 R CA 0.931 57.081 56.100 0.084 0.000 0.995 150 R CB 0.825 31.195 30.300 0.117 0.000 0.893 150 R HN 0.542 8.785 8.270 0.135 0.107 0.459 151 G N -3.794 105.046 108.800 0.066 0.000 2.559 151 G HA2 0.246 nan 3.960 nan 0.000 0.291 151 G HA3 0.246 nan 3.960 nan 0.000 0.291 151 G C -2.990 171.913 174.900 0.005 0.000 1.424 151 G CA -0.269 44.849 45.100 0.030 0.000 0.786 151 G HN -0.921 7.411 8.290 0.070 0.000 0.485 152 I N -2.297 118.265 120.570 -0.014 0.000 2.769 152 I HA 0.503 nan 4.170 nan 0.000 0.298 152 I C -1.713 174.380 176.117 -0.040 0.000 1.128 152 I CA -1.712 59.573 61.300 -0.025 0.000 1.031 152 I CB 4.574 42.568 38.000 -0.009 0.000 1.235 152 I HN 0.023 8.219 8.210 -0.023 0.000 0.423 153 S N 3.508 119.187 115.700 -0.036 0.000 2.605 153 S HA 0.584 nan 4.470 nan 0.000 0.308 153 S C -2.321 172.271 174.600 -0.015 0.000 1.113 153 S CA -0.889 57.296 58.200 -0.025 0.000 1.049 153 S CB 2.067 65.261 63.200 -0.010 0.000 1.001 153 S HN 0.153 8.440 8.310 -0.038 0.000 0.480 154 E N 4.126 124.319 120.200 -0.012 0.000 2.222 154 E HA 0.495 nan 4.350 nan 0.000 0.267 154 E C -1.987 174.628 176.600 0.024 0.000 0.884 154 E CA -2.133 54.266 56.400 -0.001 0.000 0.764 154 E CB 3.537 33.221 29.700 -0.025 0.000 1.169 154 E HN 0.460 8.809 8.360 -0.018 0.000 0.413 155 E N 3.227 123.455 120.200 0.048 0.000 2.789 155 E HA 0.291 nan 4.350 nan 0.000 0.208 155 E C -1.631 175.005 176.600 0.059 0.000 0.988 155 E CA -1.078 55.362 56.400 0.066 0.000 1.092 155 E CB 0.625 30.386 29.700 0.103 0.000 1.066 155 E HN -0.203 8.188 8.360 0.051 0.000 0.465 156 T N -6.378 108.200 114.554 0.039 0.000 2.906 156 T HA 0.383 nan 4.350 nan 0.000 0.295 156 T C 0.859 175.544 174.700 -0.026 0.000 1.075 156 T CA -1.607 60.510 62.100 0.027 0.000 1.005 156 T CB 3.348 72.248 68.868 0.054 0.000 1.136 156 T HN -0.939 7.430 8.240 0.029 -0.112 0.498 157 T N 3.725 118.239 114.554 -0.067 0.000 2.652 157 T HA -0.312 nan 4.350 nan 0.000 0.267 157 T C 1.468 175.956 174.700 -0.353 0.000 1.039 157 T CA 5.047 67.006 62.100 -0.235 0.000 1.153 157 T CB -0.849 67.900 68.868 -0.198 0.000 0.863 157 T HN 0.489 8.713 8.240 -0.027 0.000 0.428 158 T N 5.327 119.800 114.554 -0.136 0.000 2.555 158 T HA -0.338 nan 4.350 nan 0.000 0.264 158 T C 1.930 176.630 174.700 -0.001 0.000 1.083 158 T CA 4.153 66.237 62.100 -0.027 0.000 1.179 158 T CB -0.714 68.196 68.868 0.071 0.000 0.863 158 T HN -0.123 8.086 8.240 -0.051 0.000 0.412 159 G N 1.235 110.044 108.800 0.015 0.000 2.545 159 G HA2 -0.397 nan 3.960 nan 0.000 0.222 159 G HA3 -0.397 nan 3.960 nan 0.000 0.222 159 G C 1.092 175.998 174.900 0.009 0.000 1.126 159 G CA 2.372 47.484 45.100 0.020 0.000 0.754 159 G HN -0.176 8.129 8.290 0.025 0.000 0.583 160 V N 2.372 122.281 119.914 -0.007 0.000 2.548 160 V HA -0.367 nan 4.120 nan 0.000 0.249 160 V C 2.238 178.465 176.094 0.222 0.000 1.055 160 V CA 3.700 66.019 62.300 0.032 0.000 1.065 160 V CB -0.935 30.913 31.823 0.042 0.000 0.681 160 V HN -0.000 8.063 8.190 -0.042 0.102 0.462 161 H N 0.147 119.306 119.070 0.150 0.000 2.357 161 H HA -0.394 nan 4.556 nan 0.000 0.301 161 H C 2.268 177.672 175.328 0.127 0.000 1.082 161 H CA 3.209 59.352 56.048 0.158 0.000 1.342 161 H CB -0.038 29.771 29.762 0.078 0.000 1.389 161 H HN 0.197 8.388 8.280 0.017 0.099 0.511 162 N N -0.018 118.799 118.700 0.194 0.000 2.058 162 N HA -0.284 nan 4.740 nan 0.000 0.191 162 N C 1.974 177.497 175.510 0.022 0.000 1.037 162 N CA 2.910 56.011 53.050 0.086 0.000 0.848 162 N CB -0.260 38.258 38.487 0.051 0.000 1.021 162 N HN -0.303 8.173 8.380 0.178 0.010 0.422 163 L N -1.031 120.175 121.223 -0.029 0.000 2.129 163 L HA -0.468 nan 4.340 nan 0.000 0.212 163 L C 2.436 179.206 176.870 -0.166 0.000 1.087 163 L CA 3.337 58.089 54.840 -0.147 0.000 0.757 163 L CB -0.267 41.649 42.059 -0.238 0.000 0.896 163 L HN -0.031 8.194 8.230 -0.008 0.000 0.434 164 Y N -2.413 117.864 120.300 -0.039 0.000 2.220 164 Y HA -0.375 nan 4.550 nan 0.000 0.291 164 Y C 2.029 177.904 175.900 -0.042 0.000 1.129 164 Y CA 3.695 61.769 58.100 -0.044 0.000 1.161 164 Y CB -0.470 37.978 38.460 -0.020 0.000 0.997 164 Y HN -0.501 7.741 8.280 0.123 0.111 0.522 165 K N 0.331 120.808 120.400 0.128 0.000 2.002 165 K HA -0.387 nan 4.320 nan 0.000 0.209 165 K C 2.349 178.954 176.600 0.009 0.000 1.048 165 K CA 3.307 59.626 56.287 0.053 0.000 0.930 165 K CB -0.170 32.355 32.500 0.040 0.000 0.714 165 K HN 0.081 8.236 8.250 0.154 0.186 0.438 166 M N -1.411 118.173 119.600 -0.027 0.000 2.106 166 M HA -0.437 nan 4.480 nan 0.000 0.259 166 M C 2.279 178.535 176.300 -0.074 0.000 1.068 166 M CA 3.751 59.001 55.300 -0.084 0.000 1.100 166 M CB -0.080 32.414 32.600 -0.177 0.000 1.351 166 M HN 0.524 8.692 8.290 -0.018 0.111 0.404 167 M N -0.712 118.849 119.600 -0.065 0.000 2.080 167 M HA -0.327 nan 4.480 nan 0.000 0.260 167 M C 2.176 178.468 176.300 -0.013 0.000 1.068 167 M CA 2.173 57.442 55.300 -0.051 0.000 1.109 167 M CB -0.938 31.623 32.600 -0.064 0.000 1.342 167 M HN -0.372 7.701 8.290 -0.066 0.178 0.405 168 A N 0.437 123.263 122.820 0.010 0.000 1.873 168 A HA -0.335 nan 4.320 nan 0.000 0.218 168 A C 1.708 179.294 177.584 0.002 0.000 1.193 168 A CA 2.967 55.012 52.037 0.014 0.000 0.629 168 A CB -0.865 18.147 19.000 0.020 0.000 0.826 168 A HN 0.194 8.285 8.150 0.024 0.074 0.447 169 N N -5.034 113.663 118.700 -0.005 0.000 2.571 169 N HA -0.086 nan 4.740 nan 0.000 0.189 169 N C 0.617 176.123 175.510 -0.007 0.000 1.154 169 N CA 0.018 53.064 53.050 -0.006 0.000 0.907 169 N CB 0.034 38.515 38.487 -0.010 0.000 0.977 169 N HN -0.278 8.098 8.380 -0.007 0.000 0.449 170 G N -2.452 106.342 108.800 -0.011 0.000 2.153 170 G HA2 -0.366 nan 3.960 nan 0.000 0.252 170 G HA3 -0.366 nan 3.960 nan 0.000 0.252 170 G C -0.258 174.638 174.900 -0.007 0.000 0.994 170 G CA 0.949 46.046 45.100 -0.005 0.000 0.698 170 G HN 0.034 8.087 8.290 -0.013 0.229 0.521 171 I N -2.089 118.461 120.570 -0.032 0.000 2.584 171 I HA -0.173 nan 4.170 nan 0.000 0.255 171 I C 0.092 176.156 176.117 -0.087 0.000 1.145 171 I CA 0.990 62.265 61.300 -0.042 0.000 1.462 171 I CB 0.186 38.135 38.000 -0.085 0.000 1.102 171 I HN -0.018 8.117 8.210 -0.042 0.049 0.433 172 L N 1.020 122.162 121.223 -0.136 0.000 2.597 172 L HA -0.218 nan 4.340 nan 0.000 0.271 172 L C -0.157 176.744 176.870 0.051 0.000 1.157 172 L CA 1.288 56.046 54.840 -0.137 0.000 0.928 172 L CB -0.464 41.515 42.059 -0.132 0.000 1.216 172 L HN -0.817 7.265 8.230 -0.108 0.083 0.481 173 K N 6.571 127.118 120.400 0.245 0.000 2.308 173 K HA 0.037 nan 4.320 nan 0.000 0.197 173 K C -1.089 175.590 176.600 0.131 0.000 1.049 173 K CA 0.138 56.532 56.287 0.178 0.000 0.991 173 K CB 0.504 33.109 32.500 0.174 0.000 0.836 173 K HN -0.091 8.492 8.250 0.555 0.000 0.500 174 V N 0.160 120.172 119.914 0.163 0.000 2.459 174 V HA 0.472 nan 4.120 nan 0.000 0.295 174 V C -2.400 173.746 176.094 0.087 0.000 1.029 174 V CA -4.005 58.354 62.300 0.098 0.000 0.874 174 V CB 0.770 32.631 31.823 0.063 0.000 0.985 174 V HN -0.610 7.743 8.190 0.272 0.000 0.438 175 P HA -0.017 nan 4.420 nan 0.000 0.265 175 P C -2.245 175.092 177.300 0.062 0.000 1.187 175 P CA 0.652 63.820 63.100 0.114 0.000 0.766 175 P CB 0.244 32.020 31.700 0.127 0.000 0.820 176 A N 2.096 124.957 122.820 0.067 0.000 2.384 176 A HA 0.863 nan 4.320 nan 0.000 0.312 176 A C -1.696 175.885 177.584 -0.005 0.000 1.113 176 A CA -1.979 50.049 52.037 -0.014 0.000 0.779 176 A CB 4.007 22.954 19.000 -0.087 0.000 1.307 176 A HN 0.592 8.722 8.150 0.135 0.101 0.436 177 I N -0.739 119.794 120.570 -0.063 0.000 2.468 177 I HA 0.216 nan 4.170 nan 0.000 0.285 177 I C -2.149 173.941 176.117 -0.045 0.000 1.039 177 I CA -1.022 60.243 61.300 -0.058 0.000 1.074 177 I CB 3.222 41.151 38.000 -0.118 0.000 1.228 177 I HN -0.025 8.146 8.210 -0.066 0.000 0.436 178 N N 8.459 127.126 118.700 -0.054 0.000 2.415 178 N HA 0.160 nan 4.740 nan 0.000 0.250 178 N C -0.455 175.105 175.510 0.083 0.000 1.127 178 N CA -0.107 52.924 53.050 -0.032 0.000 0.945 178 N CB 0.256 38.653 38.487 -0.150 0.000 1.196 178 N HN 0.781 9.006 8.380 -0.067 0.114 0.499 179 V N 4.947 124.903 119.914 0.070 0.000 3.506 179 V HA -0.113 nan 4.120 nan 0.000 0.263 179 V C 1.423 177.577 176.094 0.100 0.000 1.203 179 V CA 1.429 63.783 62.300 0.090 0.000 1.133 179 V CB -0.399 31.466 31.823 0.071 0.000 0.802 179 V HN 0.756 8.971 8.190 0.041 0.000 0.459 180 N N 0.417 119.174 118.700 0.095 0.000 2.120 180 N HA -0.279 nan 4.740 nan 0.000 0.188 180 N C 0.528 176.107 175.510 0.115 0.000 1.024 180 N CA 3.205 56.309 53.050 0.089 0.000 0.852 180 N CB 0.234 38.761 38.487 0.067 0.000 1.003 180 N HN 0.018 8.558 8.380 0.081 -0.111 0.424 181 D N -1.595 118.918 120.400 0.188 0.000 2.328 181 D HA 0.078 nan 4.640 nan 0.000 0.226 181 D C -0.292 176.097 176.300 0.148 0.000 1.066 181 D CA 0.140 54.265 54.000 0.209 0.000 0.861 181 D CB 0.289 41.325 40.800 0.393 0.000 0.912 181 D HN -0.571 8.160 8.370 0.225 -0.226 0.521 182 S N 0.944 116.721 115.700 0.129 0.000 2.560 182 S HA -0.113 nan 4.470 nan 0.000 0.284 182 S C 0.635 175.249 174.600 0.024 0.000 1.327 182 S CA 1.445 59.690 58.200 0.075 0.000 1.055 182 S CB 0.900 64.140 63.200 0.067 0.000 0.868 182 S HN -0.592 7.623 8.310 0.133 0.175 0.506 183 V N 5.054 124.946 119.914 -0.037 0.000 2.427 183 V HA -0.276 nan 4.120 nan 0.000 0.248 183 V C 0.777 176.846 176.094 -0.042 0.000 1.051 183 V CA 3.535 65.778 62.300 -0.095 0.000 1.048 183 V CB -0.042 31.594 31.823 -0.312 0.000 0.666 183 V HN 0.172 8.578 8.190 -0.047 -0.244 0.456 184 T N -2.320 112.225 114.554 -0.015 0.000 2.904 184 T HA -0.208 nan 4.350 nan 0.000 0.267 184 T C 1.835 176.610 174.700 0.125 0.000 1.059 184 T CA 3.895 66.041 62.100 0.077 0.000 1.137 184 T CB -0.577 68.279 68.868 -0.020 0.000 0.879 184 T HN -0.274 8.154 8.240 -0.045 -0.215 0.467 185 K N 1.738 122.171 120.400 0.055 0.000 2.044 185 K HA -0.107 nan 4.320 nan 0.000 0.204 185 K C 1.763 178.405 176.600 0.070 0.000 1.049 185 K CA 2.304 58.622 56.287 0.051 0.000 0.945 185 K CB -0.338 32.186 32.500 0.041 0.000 0.724 185 K HN -0.126 8.026 8.250 0.036 0.119 0.440 186 S N 0.375 116.101 115.700 0.042 0.000 2.348 186 S HA -0.295 nan 4.470 nan 0.000 0.221 186 S C 2.329 176.894 174.600 -0.058 0.000 1.033 186 S CA 3.918 62.119 58.200 0.003 0.000 1.010 186 S CB -0.487 62.712 63.200 -0.003 0.000 0.891 186 S HN 0.331 8.558 8.310 0.040 0.107 0.442 187 K N 1.279 121.626 120.400 -0.089 0.000 2.160 187 K HA -0.301 nan 4.320 nan 0.000 0.206 187 K C 2.064 178.421 176.600 -0.405 0.000 1.047 187 K CA 2.655 58.756 56.287 -0.310 0.000 0.930 187 K CB -0.652 31.668 32.500 -0.299 0.000 0.720 187 K HN -0.205 8.024 8.250 -0.034 0.000 0.450 188 F N -1.048 118.854 119.950 -0.080 0.000 2.123 188 F HA -0.217 nan 4.527 nan 0.000 0.289 188 F C 2.168 177.875 175.800 -0.155 0.000 1.099 188 F CA 4.131 62.117 58.000 -0.024 0.000 1.234 188 F CB -0.025 38.966 39.000 -0.015 0.000 1.034 188 F HN -0.807 7.604 8.300 0.218 0.020 0.479 189 D N -1.632 118.811 120.400 0.071 0.000 2.158 189 D HA -0.329 nan 4.640 nan 0.000 0.197 189 D C 1.638 177.917 176.300 -0.035 0.000 0.995 189 D CA 3.216 57.233 54.000 0.029 0.000 0.846 189 D CB 0.069 40.909 40.800 0.067 0.000 0.941 189 D HN -0.012 8.433 8.370 0.125 0.000 0.456 190 N N -2.309 116.338 118.700 -0.089 0.000 2.324 190 N HA 0.037 nan 4.740 nan 0.000 0.192 190 N C 1.991 177.376 175.510 -0.208 0.000 1.046 190 N CA 1.652 54.632 53.050 -0.118 0.000 0.898 190 N CB 0.261 38.677 38.487 -0.117 0.000 1.079 190 N HN -0.086 8.221 8.380 -0.087 0.021 0.456 191 L N 1.566 122.583 121.223 -0.343 0.000 1.982 191 L HA -0.211 nan 4.340 nan 0.000 0.206 191 L C 1.721 178.356 176.870 -0.393 0.000 1.078 191 L CA 2.838 57.401 54.840 -0.462 0.000 0.749 191 L CB -0.865 40.722 42.059 -0.787 0.000 0.894 191 L HN -0.633 7.375 8.230 -0.370 0.000 0.436 192 Y N -3.028 117.101 120.300 -0.284 0.000 2.224 192 Y HA -0.318 nan 4.550 nan 0.000 0.289 192 Y C 2.620 178.398 175.900 -0.203 0.000 1.146 192 Y CA 2.739 60.678 58.100 -0.268 0.000 1.182 192 Y CB -1.151 37.026 38.460 -0.471 0.000 0.983 192 Y HN 0.408 8.172 8.280 -0.860 0.000 0.524 193 G N -1.606 107.065 108.800 -0.215 0.000 2.484 193 G HA2 -0.393 nan 3.960 nan 0.000 0.215 193 G HA3 -0.393 nan 3.960 nan 0.000 0.215 193 G C 0.797 175.544 174.900 -0.255 0.000 1.219 193 G CA 2.054 46.800 45.100 -0.591 0.000 0.791 193 G HN 0.348 8.489 8.290 -0.248 0.000 0.550 194 C N 2.427 121.633 119.300 -0.157 0.000 2.411 194 C HA -0.266 nan 4.460 nan 0.000 0.279 194 C C 2.135 177.143 174.990 0.030 0.000 1.288 194 C CA 2.794 61.840 59.018 0.046 0.000 1.764 194 C CB -1.847 25.912 27.740 0.032 0.000 1.974 194 C HN -0.602 7.480 8.230 -0.246 0.000 0.498 195 R N -0.063 120.438 120.500 0.002 0.000 2.083 195 R HA -0.424 nan 4.340 nan 0.000 0.237 195 R C 2.031 178.375 176.300 0.073 0.000 1.137 195 R CA 3.753 59.877 56.100 0.039 0.000 0.951 195 R CB -0.203 30.131 30.300 0.058 0.000 0.851 195 R HN -0.079 8.153 8.270 -0.042 0.013 0.434 196 E N -2.673 117.574 120.200 0.079 0.000 2.033 196 E HA -0.209 nan 4.350 nan 0.000 0.189 196 E C 2.553 179.217 176.600 0.106 0.000 0.979 196 E CA 2.492 58.951 56.400 0.098 0.000 0.802 196 E CB 0.104 29.863 29.700 0.098 0.000 0.763 196 E HN -0.609 7.789 8.360 0.063 0.000 0.449 197 S N -0.417 115.362 115.700 0.131 0.000 2.453 197 S HA -0.201 nan 4.470 nan 0.000 0.231 197 S C 1.866 176.516 174.600 0.084 0.000 1.005 197 S CA 2.659 60.938 58.200 0.131 0.000 0.949 197 S CB 0.180 63.501 63.200 0.201 0.000 0.774 197 S HN -0.029 8.370 8.310 0.148 0.000 0.510 198 L N 2.246 123.509 121.223 0.068 0.000 1.955 198 L HA -0.296 nan 4.340 nan 0.000 0.213 198 L C 0.926 177.794 176.870 -0.002 0.000 1.072 198 L CA 3.631 58.490 54.840 0.031 0.000 0.755 198 L CB -0.217 41.853 42.059 0.019 0.000 0.888 198 L HN -0.035 8.242 8.230 0.077 0.000 0.432 199 I N -4.552 116.001 120.570 -0.029 0.000 2.700 199 I HA -0.373 nan 4.170 nan 0.000 0.261 199 I C 2.362 178.435 176.117 -0.073 0.000 1.219 199 I CA 2.382 63.611 61.300 -0.119 0.000 1.463 199 I CB -1.877 35.975 38.000 -0.247 0.000 1.092 199 I HN -0.087 8.123 8.210 0.000 0.000 0.452 200 D N 0.595 120.994 120.400 -0.002 0.000 2.084 200 D HA -0.183 nan 4.640 nan 0.000 0.196 200 D C 2.197 178.505 176.300 0.013 0.000 0.985 200 D CA 3.648 57.661 54.000 0.021 0.000 0.826 200 D CB -0.318 40.513 40.800 0.053 0.000 0.978 200 D HN -0.757 7.476 8.370 0.021 0.150 0.456 201 G N -0.209 108.602 108.800 0.018 0.000 2.514 201 G HA2 -0.327 nan 3.960 nan 0.000 0.217 201 G HA3 -0.327 nan 3.960 nan 0.000 0.217 201 G C 1.464 176.367 174.900 0.006 0.000 1.198 201 G CA 2.207 47.319 45.100 0.019 0.000 0.780 201 G HN -0.298 8.007 8.290 0.024 0.000 0.565 202 I N 1.645 122.207 120.570 -0.013 0.000 2.118 202 I HA -0.639 nan 4.170 nan 0.000 0.241 202 I C 2.311 178.409 176.117 -0.032 0.000 1.070 202 I CA 3.782 65.067 61.300 -0.025 0.000 1.327 202 I CB -0.247 37.720 38.000 -0.056 0.000 1.034 202 I HN -0.431 7.768 8.210 -0.018 0.000 0.405 203 K N -0.998 119.369 120.400 -0.054 0.000 2.002 203 K HA -0.312 nan 4.320 nan 0.000 0.209 203 K C 3.076 179.673 176.600 -0.006 0.000 1.048 203 K CA 2.904 59.168 56.287 -0.039 0.000 0.930 203 K CB -0.523 31.951 32.500 -0.045 0.000 0.714 203 K HN -0.165 8.040 8.250 -0.076 0.000 0.438 204 R N -1.266 119.237 120.500 0.005 0.000 2.105 204 R HA -0.319 nan 4.340 nan 0.000 0.239 204 R C 2.098 178.408 176.300 0.017 0.000 1.135 204 R CA 3.188 59.298 56.100 0.017 0.000 0.967 204 R CB -0.122 30.193 30.300 0.025 0.000 0.861 204 R HN 0.177 8.449 8.270 0.002 0.000 0.442 205 A N -4.502 118.327 122.820 0.015 0.000 2.030 205 A HA 0.091 nan 4.320 nan 0.000 0.215 205 A C 1.867 179.461 177.584 0.016 0.000 1.164 205 A CA 2.534 54.582 52.037 0.019 0.000 0.697 205 A CB -0.097 18.918 19.000 0.025 0.000 0.827 205 A HN -0.027 8.113 8.150 0.011 0.017 0.457 206 T N -8.299 106.262 114.554 0.011 0.000 2.980 206 T HA 0.133 nan 4.350 nan 0.000 0.252 206 T C 0.557 175.262 174.700 0.008 0.000 0.962 206 T CA -0.412 61.695 62.100 0.012 0.000 0.932 206 T CB 1.870 70.746 68.868 0.014 0.000 1.188 206 T HN -0.175 7.970 8.240 0.006 0.098 0.500 207 D N -0.079 120.323 120.400 0.003 0.000 2.837 207 D HA -0.305 nan 4.640 nan 0.000 0.230 207 D C -0.779 175.524 176.300 0.005 0.000 1.152 207 D CA 1.224 55.228 54.000 0.006 0.000 0.736 207 D CB -1.350 39.458 40.800 0.014 0.000 1.084 207 D HN 0.235 8.486 8.370 -0.001 0.119 0.429 208 V N -1.309 118.601 119.914 -0.007 0.000 2.649 208 V HA 0.093 nan 4.120 nan 0.000 0.292 208 V C -0.113 175.974 176.094 -0.012 0.000 1.055 208 V CA -0.691 61.606 62.300 -0.005 0.000 1.023 208 V CB 1.689 33.508 31.823 -0.007 0.000 0.992 208 V HN -0.737 7.428 8.190 -0.016 0.015 0.480 209 M N 7.558 127.165 119.600 0.011 0.000 2.217 209 M HA 0.126 nan 4.480 nan 0.000 0.352 209 M C -0.150 176.161 176.300 0.017 0.000 1.376 209 M CA 0.753 56.073 55.300 0.033 0.000 1.107 209 M CB 0.607 33.232 32.600 0.042 0.000 1.723 209 M HN 0.342 8.641 8.290 0.015 0.000 0.461 210 I N 6.053 126.636 120.570 0.021 0.000 2.731 210 I HA -0.085 nan 4.170 nan 0.000 0.260 210 I C -0.024 176.142 176.117 0.080 0.000 1.138 210 I CA 0.401 61.702 61.300 0.002 0.000 1.461 210 I CB -0.765 37.161 38.000 -0.123 0.000 1.128 210 I HN 0.505 8.746 8.210 0.051 0.000 0.438 211 A N -1.804 121.102 122.820 0.144 0.000 2.540 211 A HA -0.245 nan 4.320 nan 0.000 0.239 211 A C 0.632 178.256 177.584 0.066 0.000 1.061 211 A CA 1.398 53.505 52.037 0.118 0.000 0.758 211 A CB -0.487 18.582 19.000 0.114 0.000 0.991 211 A HN -0.289 7.975 8.150 0.190 0.000 0.502 212 G N 2.922 111.753 108.800 0.050 0.000 2.179 212 G HA2 -0.430 nan 3.960 nan 0.000 0.260 212 G HA3 -0.430 nan 3.960 nan 0.000 0.260 212 G C -0.420 174.492 174.900 0.021 0.000 0.977 212 G CA 0.191 45.309 45.100 0.031 0.000 0.641 212 G HN 0.535 8.747 8.290 0.056 0.112 0.533 213 K N -0.373 120.038 120.400 0.019 0.000 2.139 213 K HA 0.325 nan 4.320 nan 0.000 0.243 213 K C -1.321 175.270 176.600 -0.016 0.000 0.983 213 K CA -1.368 54.920 56.287 0.001 0.000 0.890 213 K CB 2.734 35.232 32.500 -0.003 0.000 1.090 213 K HN -0.613 7.587 8.250 0.030 0.068 0.445 214 V N 1.039 120.927 119.914 -0.043 0.000 2.407 214 V HA 0.397 nan 4.120 nan 0.000 0.278 214 V C -1.476 174.529 176.094 -0.148 0.000 1.037 214 V CA -1.103 61.150 62.300 -0.078 0.000 0.900 214 V CB 0.615 32.385 31.823 -0.088 0.000 0.983 214 V HN -0.119 8.327 8.190 -0.039 -0.279 0.459 215 A N 7.886 130.617 122.820 -0.148 0.000 2.330 215 A HA 0.791 nan 4.320 nan 0.000 0.313 215 A C -1.860 175.574 177.584 -0.250 0.000 1.124 215 A CA -1.709 50.206 52.037 -0.204 0.000 0.774 215 A CB 2.280 21.216 19.000 -0.107 0.000 1.198 215 A HN 0.238 8.215 8.150 -0.098 0.115 0.465 216 V N 4.851 124.518 119.914 -0.413 0.000 2.394 216 V HA 0.557 nan 4.120 nan 0.000 0.282 216 V C -1.232 174.744 176.094 -0.197 0.000 1.031 216 V CA -0.508 61.587 62.300 -0.343 0.000 0.881 216 V CB 1.455 32.959 31.823 -0.532 0.000 0.982 216 V HN 0.333 8.171 8.190 -0.587 0.000 0.451 217 V N 6.442 126.279 119.914 -0.130 0.000 2.407 217 V HA 0.602 nan 4.120 nan 0.000 0.291 217 V C -1.557 174.511 176.094 -0.043 0.000 1.018 217 V CA -2.028 60.228 62.300 -0.073 0.000 0.842 217 V CB 1.860 33.634 31.823 -0.081 0.000 0.996 217 V HN 1.033 9.033 8.190 -0.141 0.105 0.426 218 A N 6.881 129.695 122.820 -0.010 0.000 2.362 218 A HA 0.592 nan 4.320 nan 0.000 0.276 218 A C -1.020 176.570 177.584 0.010 0.000 1.153 218 A CA -1.107 50.930 52.037 -0.000 0.000 0.813 218 A CB 0.712 19.720 19.000 0.014 0.000 1.081 218 A HN 0.504 8.657 8.150 0.005 0.000 0.507 219 G N 4.334 113.147 108.800 0.021 0.000 2.879 219 G HA2 -0.316 nan 3.960 nan 0.000 0.686 219 G HA3 -0.316 nan 3.960 nan 0.000 0.686 219 G C -1.856 173.094 174.900 0.084 0.000 1.115 219 G CA -0.322 44.801 45.100 0.039 0.000 0.770 219 G HN 0.351 8.540 8.290 0.013 0.109 0.601 220 Y N 5.550 125.810 120.300 -0.067 0.000 2.577 220 Y HA 0.210 nan 4.550 nan 0.000 0.307 220 Y C -1.345 174.518 175.900 -0.061 0.000 0.940 220 Y CA -1.609 56.441 58.100 -0.083 0.000 1.132 220 Y CB 1.215 39.625 38.460 -0.084 0.000 1.184 220 Y HN 0.030 8.651 8.280 0.120 -0.270 0.611 221 G N 0.408 109.131 108.800 -0.128 0.000 2.543 221 G HA2 -0.101 nan 3.960 nan 0.000 0.267 221 G HA3 -0.101 nan 3.960 nan 0.000 0.267 221 G C -0.443 174.308 174.900 -0.248 0.000 1.406 221 G CA -0.956 44.056 45.100 -0.146 0.000 1.048 221 G HN -0.509 7.734 8.290 -0.078 0.000 0.548 222 D N -0.232 120.051 120.400 -0.195 0.000 2.116 222 D HA -0.211 nan 4.640 nan 0.000 0.193 222 D C 2.406 178.567 176.300 -0.231 0.000 0.998 222 D CA 3.384 57.244 54.000 -0.233 0.000 0.836 222 D CB -0.486 40.197 40.800 -0.195 0.000 0.951 222 D HN 0.430 8.715 8.370 -0.141 0.000 0.449 223 V N -1.638 118.180 119.914 -0.161 0.000 2.358 223 V HA -0.260 nan 4.120 nan 0.000 0.246 223 V C 2.162 178.176 176.094 -0.134 0.000 1.047 223 V CA 4.316 66.543 62.300 -0.122 0.000 1.035 223 V CB -0.749 31.035 31.823 -0.065 0.000 0.658 223 V HN 0.196 8.308 8.190 -0.130 0.000 0.452 224 G N -1.035 107.671 108.800 -0.157 0.000 2.402 224 G HA2 -0.355 nan 3.960 nan 0.000 0.216 224 G HA3 -0.355 nan 3.960 nan 0.000 0.216 224 G C 1.169 175.913 174.900 -0.259 0.000 1.162 224 G CA 2.204 47.214 45.100 -0.151 0.000 0.777 224 G HN -0.094 8.029 8.290 -0.156 0.073 0.539 225 K N 2.369 122.471 120.400 -0.496 0.000 2.032 225 K HA -0.385 nan 4.320 nan 0.000 0.209 225 K C 2.553 179.021 176.600 -0.220 0.000 1.048 225 K CA 3.491 59.444 56.287 -0.556 0.000 0.927 225 K CB -0.132 32.009 32.500 -0.598 0.000 0.712 225 K HN 0.377 8.331 8.250 -0.493 0.000 0.441 226 G N -1.802 106.880 108.800 -0.196 0.000 2.402 226 G HA2 -0.269 nan 3.960 nan 0.000 0.216 226 G HA3 -0.269 nan 3.960 nan 0.000 0.216 226 G C 1.056 175.929 174.900 -0.045 0.000 1.162 226 G CA 2.024 47.059 45.100 -0.108 0.000 0.777 226 G HN -0.228 7.917 8.290 -0.243 0.000 0.539 227 C N 2.665 121.930 119.300 -0.059 0.000 2.429 227 C HA -0.227 nan 4.460 nan 0.000 0.277 227 C C 2.189 177.171 174.990 -0.014 0.000 1.262 227 C CA 3.571 62.572 59.018 -0.027 0.000 1.733 227 C CB -2.022 25.697 27.740 -0.034 0.000 2.010 227 C HN 0.216 8.391 8.230 -0.092 0.000 0.483 228 A N -0.464 122.329 122.820 -0.044 0.000 1.873 228 A HA -0.367 nan 4.320 nan 0.000 0.215 228 A C 1.642 179.289 177.584 0.105 0.000 1.186 228 A CA 3.350 55.354 52.037 -0.056 0.000 0.616 228 A CB -1.004 17.819 19.000 -0.295 0.000 0.823 228 A HN 0.460 8.566 8.150 -0.073 0.000 0.442 229 Q N -0.547 119.332 119.800 0.132 0.000 2.061 229 Q HA -0.413 nan 4.340 nan 0.000 0.204 229 Q C 2.180 178.270 176.000 0.149 0.000 0.984 229 Q CA 3.195 59.104 55.803 0.177 0.000 0.846 229 Q CB -0.087 28.725 28.738 0.123 0.000 0.902 229 Q HN -0.103 8.209 8.270 0.070 0.000 0.421 230 A N -0.436 122.457 122.820 0.121 0.000 1.858 230 A HA -0.287 nan 4.320 nan 0.000 0.216 230 A C 2.333 180.046 177.584 0.214 0.000 1.190 230 A CA 3.014 55.145 52.037 0.156 0.000 0.617 230 A CB -0.743 18.327 19.000 0.116 0.000 0.827 230 A HN -0.335 7.864 8.150 0.086 0.002 0.443 231 L N -2.516 118.792 121.223 0.143 0.000 2.012 231 L HA -0.439 nan 4.340 nan 0.000 0.210 231 L C 2.671 179.657 176.870 0.193 0.000 1.073 231 L CA 2.870 57.792 54.840 0.137 0.000 0.748 231 L CB -0.365 41.727 42.059 0.056 0.000 0.891 231 L HN -0.353 7.935 8.230 0.096 0.000 0.431 232 R N -0.551 120.060 120.500 0.185 0.000 2.091 232 R HA -0.331 nan 4.340 nan 0.000 0.238 232 R C 2.931 179.311 176.300 0.134 0.000 1.136 232 R CA 3.347 59.553 56.100 0.177 0.000 0.959 232 R CB -0.233 30.207 30.300 0.234 0.000 0.856 232 R HN 0.518 8.792 8.270 0.182 0.106 0.437 233 G N -2.707 106.175 108.800 0.137 0.000 2.598 233 G HA2 -0.158 nan 3.960 nan 0.000 0.215 233 G HA3 -0.158 nan 3.960 nan 0.000 0.215 233 G C 0.274 175.167 174.900 -0.013 0.000 1.131 233 G CA 1.132 46.265 45.100 0.054 0.000 0.785 233 G HN -0.027 8.277 8.290 0.165 0.085 0.539 234 F N 0.136 120.102 119.950 0.028 0.000 2.698 234 F HA 0.101 nan 4.527 nan 0.000 0.295 234 F C -0.471 175.339 175.800 0.017 0.000 1.124 234 F CA 1.042 59.054 58.000 0.021 0.000 1.426 234 F CB 1.236 40.250 39.000 0.022 0.000 1.120 234 F HN -0.512 7.792 8.300 0.315 0.186 0.583 235 G N -3.735 105.163 108.800 0.164 0.000 2.159 235 G HA2 -0.297 nan 3.960 nan 0.000 0.170 235 G HA3 -0.297 nan 3.960 nan 0.000 0.170 235 G C -1.561 173.395 174.900 0.093 0.000 1.007 235 G CA -0.266 44.895 45.100 0.101 0.000 0.672 235 G HN -0.772 7.469 8.290 0.159 0.144 0.507 236 A N 0.519 123.404 122.820 0.108 0.000 2.269 236 A HA 0.640 nan 4.320 nan 0.000 0.319 236 A C -1.531 176.089 177.584 0.060 0.000 1.110 236 A CA -1.632 50.447 52.037 0.069 0.000 0.847 236 A CB 1.455 20.488 19.000 0.054 0.000 1.161 236 A HN -0.647 7.590 8.150 0.143 0.000 0.497 237 R N 1.119 121.638 120.500 0.032 0.000 2.391 237 R HA 0.194 nan 4.340 nan 0.000 0.310 237 R C -1.086 175.232 176.300 0.030 0.000 1.174 237 R CA -1.182 54.937 56.100 0.033 0.000 1.118 237 R CB 0.412 30.717 30.300 0.008 0.000 1.134 237 R HN 0.457 8.736 8.270 0.014 0.000 0.524 238 V N 8.281 128.254 119.914 0.097 0.000 2.470 238 V HA 0.089 nan 4.120 nan 0.000 0.276 238 V C -1.177 174.944 176.094 0.045 0.000 1.040 238 V CA 0.695 63.033 62.300 0.063 0.000 1.008 238 V CB -0.099 31.778 31.823 0.091 0.000 0.990 238 V HN 0.283 8.567 8.190 0.158 0.000 0.477 239 I N 7.083 127.615 120.570 -0.064 0.000 2.404 239 I HA 0.560 nan 4.170 nan 0.000 0.293 239 I C -1.044 174.999 176.117 -0.122 0.000 0.992 239 I CA -0.956 60.301 61.300 -0.072 0.000 1.149 239 I CB 1.950 39.894 38.000 -0.093 0.000 1.315 239 I HN 0.574 8.611 8.210 -0.111 0.106 0.446 240 I N 6.787 127.279 120.570 -0.130 0.000 2.607 240 I HA 0.748 nan 4.170 nan 0.000 0.305 240 I C -1.264 174.793 176.117 -0.100 0.000 0.995 240 I CA -2.580 58.630 61.300 -0.149 0.000 1.148 240 I CB 2.009 39.854 38.000 -0.258 0.000 1.323 240 I HN 0.801 8.952 8.210 -0.100 0.000 0.461 241 T N 1.164 115.677 114.554 -0.068 0.000 2.876 241 T HA 0.615 nan 4.350 nan 0.000 0.289 241 T C -1.458 173.228 174.700 -0.024 0.000 1.014 241 T CA -2.187 59.885 62.100 -0.048 0.000 0.986 241 T CB 2.739 71.580 68.868 -0.044 0.000 1.021 241 T HN 0.442 8.649 8.240 -0.055 0.000 0.458 242 E N 3.064 123.253 120.200 -0.019 0.000 2.407 242 E HA 0.349 nan 4.350 nan 0.000 0.279 242 E C -1.205 175.395 176.600 -0.000 0.000 1.012 242 E CA -0.264 56.136 56.400 0.001 0.000 0.800 242 E CB 4.290 33.996 29.700 0.011 0.000 1.276 242 E HN 0.511 8.856 8.360 -0.026 0.000 0.452 243 I N -3.194 117.380 120.570 0.007 0.000 4.035 243 I HA 0.394 nan 4.170 nan 0.000 0.321 243 I C 0.194 176.314 176.117 0.005 0.000 1.289 243 I CA -0.017 61.285 61.300 0.003 0.000 1.236 243 I CB 1.241 39.242 38.000 0.003 0.000 1.076 243 I HN -0.109 8.109 8.210 0.013 0.000 0.418 244 D N 3.198 123.605 120.400 0.012 0.000 2.280 244 D HA 0.366 nan 4.640 nan 0.000 0.243 244 D C -0.784 175.524 176.300 0.014 0.000 1.129 244 D CA -3.065 50.943 54.000 0.014 0.000 0.848 244 D CB 1.698 42.510 40.800 0.021 0.000 1.107 244 D HN -0.441 8.262 8.370 0.018 -0.322 0.471 245 P HA -0.092 nan 4.420 nan 0.000 0.218 245 P C 1.453 178.759 177.300 0.011 0.000 1.149 245 P CA 1.783 64.886 63.100 0.004 0.000 0.817 245 P CB 0.620 32.319 31.700 -0.001 0.000 0.785 246 I N -1.705 118.875 120.570 0.016 0.000 2.202 246 I HA -0.504 nan 4.170 nan 0.000 0.242 246 I C 1.282 177.429 176.117 0.050 0.000 1.091 246 I CA 4.076 65.390 61.300 0.024 0.000 1.368 246 I CB -0.662 37.349 38.000 0.018 0.000 1.058 246 I HN 0.240 8.737 8.210 0.014 -0.278 0.410 247 N N -0.351 118.391 118.700 0.069 0.000 2.244 247 N HA -0.273 nan 4.740 nan 0.000 0.183 247 N C 1.439 177.026 175.510 0.128 0.000 1.016 247 N CA 3.535 56.674 53.050 0.148 0.000 0.866 247 N CB -0.778 37.798 38.487 0.150 0.000 0.980 247 N HN -0.176 8.377 8.380 0.051 -0.142 0.430 248 A N 0.504 123.345 122.820 0.035 0.000 1.930 248 A HA -0.167 nan 4.320 nan 0.000 0.217 248 A C 1.849 179.402 177.584 -0.052 0.000 1.175 248 A CA 2.863 54.878 52.037 -0.036 0.000 0.627 248 A CB -0.545 18.439 19.000 -0.027 0.000 0.815 248 A HN -0.081 8.074 8.150 0.035 0.016 0.443 249 L N -1.166 120.050 121.223 -0.011 0.000 2.017 249 L HA -0.392 nan 4.340 nan 0.000 0.208 249 L C 1.783 178.653 176.870 -0.001 0.000 1.073 249 L CA 2.992 57.826 54.840 -0.009 0.000 0.745 249 L CB -0.384 41.678 42.059 0.004 0.000 0.894 249 L HN -0.122 8.112 8.230 0.006 0.000 0.432 250 Q N -1.784 118.045 119.800 0.048 0.000 2.096 250 Q HA -0.481 nan 4.340 nan 0.000 0.204 250 Q C 2.502 178.532 176.000 0.050 0.000 0.982 250 Q CA 3.259 59.135 55.803 0.121 0.000 0.850 250 Q CB -0.378 28.526 28.738 0.277 0.000 0.901 250 Q HN -0.303 8.007 8.270 0.066 0.000 0.422 251 A N -1.175 121.490 122.820 -0.259 0.000 1.877 251 A HA -0.278 nan 4.320 nan 0.000 0.216 251 A C 1.972 179.487 177.584 -0.115 0.000 1.186 251 A CA 2.774 54.478 52.037 -0.556 0.000 0.620 251 A CB -0.901 17.543 19.000 -0.926 0.000 0.822 251 A HN -0.389 7.627 8.150 -0.224 0.000 0.443 252 A N -1.150 121.608 122.820 -0.102 0.000 1.908 252 A HA -0.298 nan 4.320 nan 0.000 0.218 252 A C 2.610 180.163 177.584 -0.053 0.000 1.181 252 A CA 2.933 54.934 52.037 -0.060 0.000 0.627 252 A CB -0.595 18.375 19.000 -0.050 0.000 0.818 252 A HN -0.061 8.015 8.150 -0.124 0.000 0.445 253 M N -3.038 116.543 119.600 -0.032 0.000 2.358 253 M HA -0.191 nan 4.480 nan 0.000 0.264 253 M C 1.076 177.353 176.300 -0.039 0.000 1.064 253 M CA 1.180 56.466 55.300 -0.023 0.000 1.093 253 M CB -1.280 31.323 32.600 0.004 0.000 1.401 253 M HN 0.222 8.497 8.290 -0.025 0.000 0.440 254 E N -2.920 117.251 120.200 -0.048 0.000 2.479 254 E HA 0.129 nan 4.350 nan 0.000 0.193 254 E C 0.283 176.684 176.600 -0.331 0.000 1.049 254 E CA -0.905 55.422 56.400 -0.121 0.000 0.870 254 E CB 0.397 30.106 29.700 0.014 0.000 0.944 254 E HN -0.579 7.612 8.360 -0.022 0.156 0.492 255 G N -1.908 106.739 108.800 -0.256 0.000 2.141 255 G HA2 -0.376 nan 3.960 nan 0.000 0.231 255 G HA3 -0.376 nan 3.960 nan 0.000 0.231 255 G C -0.457 174.257 174.900 -0.312 0.000 0.984 255 G CA 0.269 45.202 45.100 -0.277 0.000 0.660 255 G HN -0.222 7.790 8.290 -0.154 0.186 0.525 256 Y N -0.695 119.545 120.300 -0.099 0.000 2.323 256 Y HA -0.016 nan 4.550 nan 0.000 0.331 256 Y C -0.766 175.063 175.900 -0.119 0.000 1.092 256 Y CA -0.774 57.257 58.100 -0.114 0.000 1.150 256 Y CB 1.065 39.418 38.460 -0.177 0.000 1.200 256 Y HN -0.625 7.565 8.280 -0.151 0.000 0.472 257 E N 3.093 123.335 120.200 0.069 0.000 2.383 257 E HA 0.058 nan 4.350 nan 0.000 0.264 257 E C -1.693 174.895 176.600 -0.020 0.000 1.050 257 E CA 0.080 56.482 56.400 0.004 0.000 0.896 257 E CB 1.750 31.445 29.700 -0.008 0.000 0.982 257 E HN 0.354 8.769 8.360 0.091 0.000 0.424 258 V N 4.287 124.177 119.914 -0.041 0.000 2.447 258 V HA 0.522 nan 4.120 nan 0.000 0.292 258 V C -0.413 175.652 176.094 -0.049 0.000 1.021 258 V CA -0.796 61.467 62.300 -0.062 0.000 0.850 258 V CB 0.491 32.268 31.823 -0.078 0.000 1.005 258 V HN 0.291 8.460 8.190 -0.035 0.000 0.426 259 T N 6.596 121.119 114.554 -0.050 0.000 2.604 259 T HA 0.562 nan 4.350 nan 0.000 0.267 259 T C -1.750 172.923 174.700 -0.045 0.000 0.923 259 T CA -1.448 60.627 62.100 -0.042 0.000 1.077 259 T CB 1.908 70.753 68.868 -0.039 0.000 1.392 259 T HN 0.296 8.501 8.240 -0.059 0.000 0.531 260 T N -3.776 110.753 114.554 -0.042 0.000 2.943 260 T HA 0.366 nan 4.350 nan 0.000 0.284 260 T C 1.138 175.791 174.700 -0.077 0.000 1.015 260 T CA -1.887 60.186 62.100 -0.046 0.000 1.042 260 T CB 1.604 70.455 68.868 -0.029 0.000 1.055 260 T HN -0.307 7.911 8.240 -0.037 0.000 0.500 261 M N 1.373 120.902 119.600 -0.118 0.000 2.159 261 M HA -0.160 nan 4.480 nan 0.000 0.263 261 M C 0.843 176.954 176.300 -0.315 0.000 1.063 261 M CA 2.336 57.481 55.300 -0.258 0.000 1.110 261 M CB -0.666 31.685 32.600 -0.416 0.000 1.374 261 M HN 0.550 8.789 8.290 -0.086 0.000 0.411 262 D N -3.651 116.657 120.400 -0.153 0.000 2.228 262 D HA -0.268 nan 4.640 nan 0.000 0.203 262 D C 1.647 177.927 176.300 -0.032 0.000 0.988 262 D CA 2.977 56.963 54.000 -0.024 0.000 0.864 262 D CB -0.919 39.903 40.800 0.038 0.000 0.928 262 D HN 0.527 8.834 8.370 -0.081 0.014 0.469 263 E N -1.985 118.187 120.200 -0.047 0.000 2.152 263 E HA 0.077 nan 4.350 nan 0.000 0.195 263 E C 1.789 178.378 176.600 -0.019 0.000 0.934 263 E CA 0.949 57.335 56.400 -0.024 0.000 0.869 263 E CB 0.607 30.294 29.700 -0.022 0.000 0.842 263 E HN -0.654 7.507 8.360 -0.063 0.161 0.472 264 A N 0.657 123.456 122.820 -0.036 0.000 1.986 264 A HA -0.290 nan 4.320 nan 0.000 0.220 264 A C 1.987 179.621 177.584 0.084 0.000 1.171 264 A CA 3.074 55.099 52.037 -0.019 0.000 0.640 264 A CB -0.667 18.299 19.000 -0.058 0.000 0.811 264 A HN 0.423 8.539 8.150 -0.056 0.000 0.451 265 C N -5.029 114.331 119.300 0.100 0.000 2.411 265 C HA -0.315 nan 4.460 nan 0.000 0.279 265 C C 1.683 176.801 174.990 0.214 0.000 1.288 265 C CA 1.885 61.028 59.018 0.207 0.000 1.764 265 C CB -1.533 26.135 27.740 -0.121 0.000 1.974 265 C HN 0.242 8.419 8.230 -0.036 0.032 0.498 266 K N -1.441 119.024 120.400 0.108 0.000 2.439 266 K HA -0.177 nan 4.320 nan 0.000 0.197 266 K C 1.375 178.037 176.600 0.104 0.000 1.041 266 K CA 1.942 58.286 56.287 0.096 0.000 0.970 266 K CB -0.268 32.265 32.500 0.055 0.000 0.773 266 K HN -0.430 7.837 8.250 0.062 0.020 0.479 267 E N -1.429 118.829 120.200 0.096 0.000 2.421 267 E HA 0.097 nan 4.350 nan 0.000 0.209 267 E C 0.084 176.688 176.600 0.007 0.000 0.871 267 E CA -0.343 56.083 56.400 0.043 0.000 1.064 267 E CB 2.307 32.005 29.700 -0.002 0.000 1.075 267 E HN -0.170 8.060 8.360 0.110 0.196 0.513 268 G N -1.036 107.735 108.800 -0.048 0.000 2.491 268 G HA2 -0.111 nan 3.960 nan 0.000 0.242 268 G HA3 -0.111 nan 3.960 nan 0.000 0.242 268 G C -1.182 173.697 174.900 -0.036 0.000 1.266 268 G CA 0.459 45.350 45.100 -0.349 0.000 0.844 268 G HN -0.138 8.183 8.290 0.051 0.000 0.571 269 N N 2.282 120.919 118.700 -0.104 0.000 2.414 269 N HA 0.296 nan 4.740 nan 0.000 0.177 269 N C -0.376 175.180 175.510 0.077 0.000 1.062 269 N CA 1.293 54.366 53.050 0.040 0.000 0.890 269 N CB 2.721 41.208 38.487 0.001 0.000 1.070 269 N HN 0.452 8.591 8.380 -0.217 0.112 0.454 270 I N -1.621 118.908 120.570 -0.069 0.000 2.619 270 I HA 0.457 nan 4.170 nan 0.000 0.292 270 I C -2.278 173.754 176.117 -0.141 0.000 1.100 270 I CA -0.422 60.893 61.300 0.025 0.000 1.043 270 I CB 4.017 42.001 38.000 -0.026 0.000 1.239 270 I HN -0.585 7.464 8.210 -0.269 0.000 0.420 271 F N 4.842 124.796 119.950 0.007 0.000 2.518 271 F HA 0.664 nan 4.527 nan 0.000 0.323 271 F C -1.639 174.161 175.800 -0.001 0.000 1.129 271 F CA -1.491 56.504 58.000 -0.008 0.000 0.920 271 F CB 2.805 41.798 39.000 -0.011 0.000 1.160 271 F HN 0.531 9.058 8.300 0.379 0.000 0.440 272 V N 3.461 123.438 119.914 0.106 0.000 2.588 272 V HA 0.641 nan 4.120 nan 0.000 0.304 272 V C -1.279 174.851 176.094 0.060 0.000 1.042 272 V CA -1.420 60.921 62.300 0.069 0.000 0.877 272 V CB 2.849 34.682 31.823 0.017 0.000 0.996 272 V HN 0.776 8.990 8.190 0.041 0.000 0.425 273 T N 2.917 117.507 114.554 0.061 0.000 2.902 273 T HA 0.613 nan 4.350 nan 0.000 0.283 273 T C -0.056 174.661 174.700 0.028 0.000 1.009 273 T CA -1.866 60.263 62.100 0.048 0.000 1.051 273 T CB 2.050 70.954 68.868 0.060 0.000 0.999 273 T HN -0.040 8.240 8.240 0.067 0.000 0.474 274 T N 3.700 118.266 114.554 0.020 0.000 3.046 274 T HA 0.349 nan 4.350 nan 0.000 0.270 274 T C 0.888 175.596 174.700 0.014 0.000 0.920 274 T CA 1.470 63.574 62.100 0.007 0.000 0.874 274 T CB 0.761 69.622 68.868 -0.012 0.000 1.214 274 T HN 0.289 8.543 8.240 0.023 0.000 0.536 275 T N 2.674 117.242 114.554 0.024 0.000 2.565 275 T HA -0.232 nan 4.350 nan 0.000 0.265 275 T C 1.527 176.247 174.700 0.032 0.000 1.082 275 T CA 2.166 64.282 62.100 0.026 0.000 1.173 275 T CB -0.057 68.829 68.868 0.030 0.000 0.864 275 T HN 0.074 8.362 8.240 0.026 -0.033 0.425 276 G N -0.850 107.983 108.800 0.055 0.000 2.131 276 G HA2 -0.273 nan 3.960 nan 0.000 0.223 276 G HA3 -0.273 nan 3.960 nan 0.000 0.223 276 G C -1.117 173.792 174.900 0.015 0.000 0.990 276 G CA -0.364 44.776 45.100 0.067 0.000 0.671 276 G HN -0.249 8.559 8.290 0.065 -0.479 0.521 277 C N -0.666 118.652 119.300 0.031 0.000 2.889 277 C HA 0.455 nan 4.460 nan 0.000 0.307 277 C C -0.621 174.392 174.990 0.037 0.000 1.251 277 C CA -2.234 56.791 59.018 0.012 0.000 1.593 277 C CB 2.095 29.840 27.740 0.008 0.000 2.104 277 C HN -0.443 7.788 8.230 0.049 0.028 0.476 278 V N -3.143 116.789 119.914 0.030 0.000 3.319 278 V HA 0.242 nan 4.120 nan 0.000 0.303 278 V C -0.283 175.830 176.094 0.032 0.000 1.094 278 V CA -0.218 62.108 62.300 0.044 0.000 1.106 278 V CB 0.365 32.211 31.823 0.037 0.000 1.099 278 V HN 0.180 8.378 8.190 0.012 0.000 0.476 279 D N -2.255 118.163 120.400 0.030 0.000 2.686 279 D HA -0.393 nan 4.640 nan 0.000 0.235 279 D C -0.274 176.033 176.300 0.011 0.000 1.160 279 D CA 1.540 55.544 54.000 0.006 0.000 0.645 279 D CB -1.906 38.888 40.800 -0.009 0.000 1.039 279 D HN 0.178 8.574 8.370 0.043 0.000 0.423 280 I N -3.563 117.023 120.570 0.026 0.000 2.206 280 I HA -0.221 nan 4.170 nan 0.000 0.239 280 I C 0.803 176.958 176.117 0.064 0.000 1.078 280 I CA 0.910 62.234 61.300 0.040 0.000 1.367 280 I CB 0.834 38.855 38.000 0.035 0.000 1.078 280 I HN -0.131 8.098 8.210 0.032 0.000 0.413 281 I N -0.890 119.679 120.570 -0.002 0.000 2.328 281 I HA 0.039 nan 4.170 nan 0.000 0.287 281 I C -1.777 174.142 176.117 -0.329 0.000 1.012 281 I CA -0.668 60.582 61.300 -0.083 0.000 1.195 281 I CB 0.129 37.966 38.000 -0.272 0.000 1.350 281 I HN -0.550 7.656 8.210 -0.008 0.000 0.464 282 L N 5.318 126.204 121.223 -0.561 0.000 2.347 282 L HA 0.618 nan 4.340 nan 0.000 0.268 282 L C 1.164 177.452 176.870 -0.970 0.000 1.019 282 L CA -2.802 51.627 54.840 -0.684 0.000 0.806 282 L CB 0.861 42.517 42.059 -0.672 0.000 1.339 282 L HN 0.248 8.139 8.230 -0.564 0.000 0.463 283 G N 0.011 108.217 108.800 -0.990 0.000 2.446 283 G HA2 -0.372 nan 3.960 nan 0.000 0.217 283 G HA3 -0.372 nan 3.960 nan 0.000 0.217 283 G C 1.199 175.442 174.900 -1.095 0.000 1.168 283 G CA 2.614 46.591 45.100 -1.872 0.000 0.771 283 G HN 0.533 8.396 8.290 -0.712 0.000 0.551 284 R N 0.416 120.495 120.500 -0.701 0.000 2.200 284 R HA -0.300 nan 4.340 nan 0.000 0.234 284 R C 1.005 177.113 176.300 -0.321 0.000 1.127 284 R CA 2.135 57.987 56.100 -0.413 0.000 0.989 284 R CB -1.278 28.835 30.300 -0.311 0.000 0.869 284 R HN 0.261 8.130 8.270 -0.667 0.000 0.459 285 H N -0.934 117.847 119.070 -0.481 0.000 2.355 285 H HA -0.072 nan 4.556 nan 0.000 0.303 285 H C 2.634 177.694 175.328 -0.447 0.000 1.061 285 H CA 1.724 57.490 56.048 -0.470 0.000 1.368 285 H CB 0.578 29.969 29.762 -0.618 0.000 1.412 285 H HN -0.358 7.254 8.280 -0.799 0.189 0.523 286 F N -0.919 118.828 119.950 -0.339 0.000 2.192 286 F HA -0.368 nan 4.527 nan 0.000 0.301 286 F C 0.938 176.641 175.800 -0.161 0.000 1.079 286 F CA 3.061 60.876 58.000 -0.310 0.000 1.303 286 F CB -0.629 38.105 39.000 -0.443 0.000 1.024 286 F HN -0.402 7.400 8.300 -0.831 0.000 0.494 287 E N -3.841 116.348 120.200 -0.017 0.000 2.268 287 E HA -0.228 nan 4.350 nan 0.000 0.195 287 E C 1.692 178.320 176.600 0.047 0.000 0.995 287 E CA 1.796 58.227 56.400 0.051 0.000 0.836 287 E CB -0.112 29.605 29.700 0.027 0.000 0.763 287 E HN -0.740 7.487 8.360 -0.181 0.024 0.491 288 Q N -2.835 116.981 119.800 0.026 0.000 2.297 288 Q HA -0.075 nan 4.340 nan 0.000 0.203 288 Q C 0.773 176.835 176.000 0.103 0.000 0.931 288 Q CA 0.174 56.007 55.803 0.049 0.000 0.885 288 Q CB 0.800 29.555 28.738 0.028 0.000 0.991 288 Q HN -0.245 7.848 8.270 -0.017 0.167 0.498 289 M N 0.325 119.978 119.600 0.089 0.000 2.234 289 M HA -0.287 nan 4.480 nan 0.000 0.326 289 M C -0.536 175.898 176.300 0.224 0.000 1.077 289 M CA 1.635 57.013 55.300 0.129 0.000 1.052 289 M CB 0.075 32.689 32.600 0.023 0.000 1.607 289 M HN -0.604 7.707 8.290 0.036 0.000 0.445 290 K N 1.533 122.041 120.400 0.180 0.000 2.230 290 K HA -0.189 nan 4.320 nan 0.000 0.253 290 K C -0.718 175.820 176.600 -0.104 0.000 1.008 290 K CA 0.290 56.621 56.287 0.074 0.000 0.910 290 K CB 0.293 32.830 32.500 0.062 0.000 0.994 290 K HN 0.280 8.656 8.250 0.210 0.000 0.495 291 D N 0.580 120.658 120.400 -0.537 0.000 2.450 291 D HA -0.261 nan 4.640 nan 0.000 0.247 291 D C -0.441 175.765 176.300 -0.157 0.000 1.162 291 D CA 1.976 55.645 54.000 -0.552 0.000 0.879 291 D CB -0.013 40.401 40.800 -0.644 0.000 1.163 291 D HN -0.357 7.653 8.370 -0.600 0.000 0.472 292 D N 2.700 123.072 120.400 -0.047 0.000 3.017 292 D HA -0.471 nan 4.640 nan 0.000 0.220 292 D C -1.105 175.231 176.300 0.060 0.000 1.141 292 D CA 0.591 54.602 54.000 0.019 0.000 0.848 292 D CB -0.948 39.855 40.800 0.005 0.000 1.102 292 D HN 0.053 8.306 8.370 -0.028 0.100 0.427 293 A N -2.770 120.107 122.820 0.095 0.000 2.483 293 A HA 0.026 nan 4.320 nan 0.000 0.238 293 A C -1.178 176.510 177.584 0.173 0.000 1.070 293 A CA 0.603 52.746 52.037 0.177 0.000 0.770 293 A CB 1.122 20.273 19.000 0.251 0.000 1.008 293 A HN -0.562 7.637 8.150 0.081 0.000 0.497 294 I N 1.973 122.662 120.570 0.199 0.000 2.331 294 I HA 0.440 nan 4.170 nan 0.000 0.292 294 I C -1.369 174.888 176.117 0.233 0.000 0.998 294 I CA -0.004 61.395 61.300 0.165 0.000 1.267 294 I CB 1.124 39.191 38.000 0.111 0.000 1.386 294 I HN 0.105 8.445 8.210 0.217 0.000 0.476 295 V N 6.334 126.364 119.914 0.194 0.000 2.540 295 V HA 0.774 nan 4.120 nan 0.000 0.302 295 V C -1.708 174.484 176.094 0.162 0.000 1.035 295 V CA -1.905 60.520 62.300 0.208 0.000 0.873 295 V CB 1.539 33.476 31.823 0.190 0.000 0.992 295 V HN 0.718 9.003 8.190 0.159 0.000 0.428 296 C N 3.853 123.244 119.300 0.152 0.000 3.332 296 C HA 0.861 nan 4.460 nan 0.000 0.329 296 C C -2.498 172.550 174.990 0.096 0.000 1.434 296 C CA -2.486 56.599 59.018 0.112 0.000 1.314 296 C CB 3.743 31.535 27.740 0.087 0.000 1.664 296 C HN 0.835 9.171 8.230 0.177 0.000 0.457 297 N N -0.877 117.868 118.700 0.074 0.000 2.229 297 N HA 0.652 nan 4.740 nan 0.000 0.298 297 N C -2.150 173.371 175.510 0.018 0.000 1.114 297 N CA -0.801 52.281 53.050 0.053 0.000 0.776 297 N CB 3.439 41.965 38.487 0.064 0.000 1.501 297 N HN 0.405 8.828 8.380 0.071 0.000 0.474 298 I N 3.075 123.643 120.570 -0.002 0.000 4.453 298 I HA 0.341 nan 4.170 nan 0.000 0.342 298 I C -1.522 174.560 176.117 -0.058 0.000 1.341 298 I CA -2.155 59.124 61.300 -0.033 0.000 1.217 298 I CB 1.497 39.494 38.000 -0.005 0.000 1.545 298 I HN 0.023 8.239 8.210 0.009 0.000 0.557 299 G N -0.120 108.657 108.800 -0.038 0.000 3.226 299 G HA2 0.103 nan 3.960 nan 0.000 0.190 299 G HA3 0.103 nan 3.960 nan 0.000 0.190 299 G C -1.673 173.199 174.900 -0.046 0.000 1.988 299 G CA -0.167 44.921 45.100 -0.020 0.000 0.859 299 G HN -0.250 8.426 8.290 -0.015 -0.395 0.631 300 H N 3.082 122.121 119.070 -0.053 0.000 2.548 300 H HA 0.045 nan 4.556 nan 0.000 0.331 300 H C -0.202 175.135 175.328 0.016 0.000 1.093 300 H CA -0.569 55.460 56.048 -0.033 0.000 1.367 300 H CB 1.430 31.215 29.762 0.038 0.000 1.455 300 H HN 0.007 8.745 8.280 0.144 -0.372 0.519 301 F N 5.313 124.908 119.950 -0.591 0.000 2.512 301 F HA -0.399 nan 4.527 nan 0.000 0.406 301 F C 0.757 176.440 175.800 -0.195 0.000 0.990 301 F CA 0.894 58.683 58.000 -0.352 0.000 1.137 301 F CB -0.570 38.218 39.000 -0.353 0.000 0.960 301 F HN 0.512 8.321 8.300 -0.819 0.000 0.533 302 D N 1.764 122.268 120.400 0.174 0.000 2.930 302 D HA -0.557 nan 4.640 nan 0.000 0.198 302 D C 0.131 176.525 176.300 0.156 0.000 1.130 302 D CA 2.231 56.321 54.000 0.150 0.000 0.959 302 D CB -1.838 39.042 40.800 0.133 0.000 1.034 302 D HN 0.238 8.725 8.370 0.195 0.000 0.373 303 V N -7.525 112.519 119.914 0.217 0.000 3.141 303 V HA -0.127 nan 4.120 nan 0.000 0.265 303 V C 0.809 176.992 176.094 0.147 0.000 1.126 303 V CA 1.611 64.035 62.300 0.205 0.000 1.141 303 V CB -0.889 31.094 31.823 0.267 0.000 0.743 303 V HN -0.193 8.074 8.190 0.271 0.086 0.492 304 E N 0.255 120.539 120.200 0.139 0.000 2.060 304 E HA -0.197 nan 4.350 nan 0.000 0.189 304 E C 0.312 176.961 176.600 0.081 0.000 0.974 304 E CA 2.359 58.819 56.400 0.100 0.000 0.808 304 E CB 0.469 30.226 29.700 0.094 0.000 0.768 304 E HN -0.177 8.210 8.360 0.152 0.065 0.453 305 I N -2.075 118.555 120.570 0.100 0.000 2.385 305 I HA 0.077 nan 4.170 nan 0.000 0.294 305 I C -0.989 175.214 176.117 0.144 0.000 0.988 305 I CA -0.928 60.440 61.300 0.112 0.000 1.265 305 I CB 1.224 39.320 38.000 0.160 0.000 1.388 305 I HN -0.824 7.453 8.210 0.112 0.000 0.480 306 D N 7.990 128.487 120.400 0.162 0.000 2.498 306 D HA 0.010 nan 4.640 nan 0.000 0.229 306 D C 0.448 176.919 176.300 0.285 0.000 1.188 306 D CA -0.490 53.633 54.000 0.205 0.000 1.028 306 D CB -0.917 39.989 40.800 0.176 0.000 1.087 306 D HN 0.281 8.711 8.370 0.101 0.000 0.510 307 V N 4.139 124.158 119.914 0.176 0.000 2.548 307 V HA -0.309 nan 4.120 nan 0.000 0.249 307 V C 1.524 177.664 176.094 0.078 0.000 1.055 307 V CA 3.167 65.522 62.300 0.092 0.000 1.065 307 V CB -0.403 31.469 31.823 0.081 0.000 0.681 307 V HN -0.198 8.058 8.190 0.152 0.025 0.462 308 K N -0.235 120.232 120.400 0.113 0.000 2.103 308 K HA -0.327 nan 4.320 nan 0.000 0.207 308 K C 1.885 178.533 176.600 0.081 0.000 1.048 308 K CA 3.204 59.542 56.287 0.084 0.000 0.930 308 K CB -0.642 31.909 32.500 0.084 0.000 0.716 308 K HN -0.083 8.242 8.250 0.125 0.000 0.444 309 W N 0.404 121.700 121.300 -0.006 0.000 2.381 309 W HA -0.327 nan 4.660 nan 0.000 0.301 309 W C 1.646 178.098 176.519 -0.112 0.000 1.205 309 W CA 3.869 61.208 57.345 -0.011 0.000 1.285 309 W CB 0.049 29.553 29.460 0.073 0.000 1.133 309 W HN -0.649 7.941 8.180 0.340 -0.206 0.521 310 L N -1.881 119.390 121.223 0.080 0.000 2.017 310 L HA -0.667 nan 4.340 nan 0.000 0.208 310 L C 2.342 179.039 176.870 -0.289 0.000 1.073 310 L CA 3.523 58.148 54.840 -0.359 0.000 0.745 310 L CB -0.457 41.028 42.059 -0.958 0.000 0.894 310 L HN -0.750 7.502 8.230 0.168 0.079 0.432 311 N N -0.840 117.801 118.700 -0.099 0.000 2.120 311 N HA -0.257 nan 4.740 nan 0.000 0.188 311 N C 2.092 177.564 175.510 -0.064 0.000 1.024 311 N CA 2.757 55.845 53.050 0.064 0.000 0.852 311 N CB -0.271 38.256 38.487 0.067 0.000 1.003 311 N HN -0.010 8.310 8.380 -0.100 0.000 0.424 312 E N -3.008 117.088 120.200 -0.174 0.000 2.371 312 E HA -0.048 nan 4.350 nan 0.000 0.194 312 E C 0.620 176.992 176.600 -0.379 0.000 1.012 312 E CA 2.002 58.262 56.400 -0.233 0.000 0.860 312 E CB 0.378 29.953 29.700 -0.208 0.000 0.811 312 E HN -0.019 8.060 8.360 -0.172 0.178 0.502 313 N N -3.277 115.051 118.700 -0.619 0.000 2.257 313 N HA 0.114 nan 4.740 nan 0.000 0.200 313 N C -0.969 174.275 175.510 -0.443 0.000 1.163 313 N CA 0.425 53.042 53.050 -0.721 0.000 0.891 313 N CB 2.375 39.926 38.487 -1.560 0.000 1.067 313 N HN -0.219 7.772 8.380 -0.648 0.000 0.497 314 A N 0.880 123.521 122.820 -0.299 0.000 2.445 314 A HA -0.002 nan 4.320 nan 0.000 0.242 314 A C 0.579 178.133 177.584 -0.050 0.000 1.075 314 A CA 0.929 52.919 52.037 -0.079 0.000 0.777 314 A CB 0.474 19.551 19.000 0.129 0.000 1.013 314 A HN -0.537 7.430 8.150 -0.304 0.000 0.493 315 V N 1.425 121.330 119.914 -0.014 0.000 3.129 315 V HA -0.072 nan 4.120 nan 0.000 0.259 315 V C 0.532 176.618 176.094 -0.013 0.000 1.116 315 V CA 1.685 63.975 62.300 -0.017 0.000 1.127 315 V CB 0.105 31.925 31.823 -0.003 0.000 0.742 315 V HN 0.692 8.793 8.190 0.010 0.095 0.474 316 E N -3.543 116.655 120.200 -0.002 0.000 2.430 316 E HA 0.358 nan 4.350 nan 0.000 0.279 316 E C -2.333 174.224 176.600 -0.071 0.000 1.003 316 E CA -0.894 55.487 56.400 -0.032 0.000 0.801 316 E CB 4.732 34.415 29.700 -0.028 0.000 1.313 316 E HN -0.719 7.619 8.360 0.025 0.037 0.459 317 K N 0.572 120.878 120.400 -0.156 0.000 2.565 317 K HA 0.476 nan 4.320 nan 0.000 0.251 317 K C -1.888 174.558 176.600 -0.256 0.000 0.956 317 K CA -0.595 55.477 56.287 -0.358 0.000 0.809 317 K CB 2.517 34.740 32.500 -0.461 0.000 1.267 317 K HN 0.100 8.278 8.250 -0.120 0.000 0.438 318 V N 3.867 123.627 119.914 -0.257 0.000 2.524 318 V HA 0.343 nan 4.120 nan 0.000 0.297 318 V C -2.028 173.976 176.094 -0.150 0.000 1.035 318 V CA -1.406 60.799 62.300 -0.158 0.000 0.867 318 V CB 2.860 34.625 31.823 -0.098 0.000 1.004 318 V HN 0.233 8.235 8.190 -0.314 0.000 0.426 319 N N 7.442 126.068 118.700 -0.124 0.000 2.452 319 N HA 0.055 nan 4.740 nan 0.000 0.266 319 N C -0.040 175.434 175.510 -0.060 0.000 1.209 319 N CA 1.105 54.101 53.050 -0.090 0.000 0.929 319 N CB 0.240 38.685 38.487 -0.069 0.000 1.063 319 N HN 0.359 8.670 8.380 -0.114 0.000 0.472 320 I N 5.832 126.374 120.570 -0.045 0.000 2.852 320 I HA -0.083 nan 4.170 nan 0.000 0.264 320 I C -0.339 175.768 176.117 -0.017 0.000 1.179 320 I CA 1.505 62.789 61.300 -0.027 0.000 1.480 320 I CB 0.715 38.704 38.000 -0.017 0.000 1.111 320 I HN 0.803 8.985 8.210 -0.047 0.000 0.441 321 K N -4.161 116.230 120.400 -0.015 0.000 2.809 321 K HA 0.312 nan 4.320 nan 0.000 0.293 321 K C -3.013 173.583 176.600 -0.006 0.000 1.061 321 K CA -2.497 53.785 56.287 -0.008 0.000 0.837 321 K CB -0.699 31.801 32.500 -0.000 0.000 1.524 321 K HN -0.527 7.712 8.250 -0.019 0.000 0.370 322 P HA -0.105 nan 4.420 nan 0.000 0.262 322 P C -1.009 176.295 177.300 0.005 0.000 1.199 322 P CA 1.958 65.055 63.100 -0.004 0.000 0.763 322 P CB -0.305 31.393 31.700 -0.004 0.000 0.790 323 Q N -3.279 116.526 119.800 0.008 0.000 2.429 323 Q HA -0.361 nan 4.340 nan 0.000 0.232 323 Q C -1.287 174.733 176.000 0.032 0.000 0.724 323 Q CA 1.029 56.846 55.803 0.024 0.000 1.287 323 Q CB -2.566 26.189 28.738 0.028 0.000 1.429 323 Q HN 0.499 8.769 8.270 0.000 0.000 0.721 324 V N 0.566 120.493 119.914 0.021 0.000 2.419 324 V HA 0.338 nan 4.120 nan 0.000 0.287 324 V C -2.141 173.956 176.094 0.005 0.000 1.017 324 V CA -0.282 62.033 62.300 0.025 0.000 0.844 324 V CB 1.438 33.272 31.823 0.019 0.000 1.011 324 V HN 0.136 8.196 8.190 0.009 0.135 0.429 325 D N 7.942 128.355 120.400 0.021 0.000 2.252 325 D HA 0.744 nan 4.640 nan 0.000 0.245 325 D C -2.437 173.854 176.300 -0.014 0.000 1.009 325 D CA -0.990 52.977 54.000 -0.055 0.000 0.870 325 D CB 4.169 44.922 40.800 -0.078 0.000 1.251 325 D HN 0.397 8.807 8.370 0.068 0.000 0.460 326 R N 1.780 122.209 120.500 -0.119 0.000 2.468 326 R HA 0.595 nan 4.340 nan 0.000 0.302 326 R C -1.199 175.049 176.300 -0.088 0.000 1.041 326 R CA -0.726 55.367 56.100 -0.011 0.000 0.899 326 R CB 2.311 32.608 30.300 -0.005 0.000 1.167 326 R HN -0.101 8.039 8.270 -0.216 0.000 0.483 327 Y N 5.448 125.731 120.300 -0.029 0.000 2.335 327 Y HA 0.430 nan 4.550 nan 0.000 0.323 327 Y C -1.386 174.508 175.900 -0.011 0.000 1.224 327 Y CA -0.692 57.385 58.100 -0.037 0.000 1.241 327 Y CB 2.029 40.443 38.460 -0.075 0.000 1.235 327 Y HN 0.819 9.375 8.280 0.460 0.000 0.492 328 L N 0.936 122.246 121.223 0.145 0.000 2.325 328 L HA 0.631 nan 4.340 nan 0.000 0.281 328 L C -2.012 174.922 176.870 0.106 0.000 1.004 328 L CA -1.317 53.586 54.840 0.106 0.000 0.823 328 L CB 2.098 44.193 42.059 0.059 0.000 1.236 328 L HN 0.168 8.475 8.230 0.128 0.000 0.415 329 L N 4.019 125.318 121.223 0.127 0.000 2.469 329 L HA 0.171 nan 4.340 nan 0.000 0.253 329 L C 1.653 178.573 176.870 0.083 0.000 1.143 329 L CA -0.666 54.247 54.840 0.122 0.000 0.804 329 L CB 0.387 42.562 42.059 0.192 0.000 1.214 329 L HN 0.524 8.844 8.230 0.149 0.000 0.476 330 K N 1.556 121.997 120.400 0.069 0.000 2.283 330 K HA -0.316 nan 4.320 nan 0.000 0.202 330 K C 0.587 177.209 176.600 0.037 0.000 1.048 330 K CA 2.891 59.202 56.287 0.041 0.000 0.948 330 K CB -0.391 32.127 32.500 0.029 0.000 0.742 330 K HN 0.655 8.954 8.250 0.083 0.000 0.458 331 N N -3.470 115.256 118.700 0.042 0.000 2.571 331 N HA -0.093 nan 4.740 nan 0.000 0.189 331 N C 0.498 175.983 175.510 -0.041 0.000 1.154 331 N CA -0.202 52.834 53.050 -0.023 0.000 0.907 331 N CB -1.417 37.027 38.487 -0.071 0.000 0.977 331 N HN -0.492 7.903 8.380 0.078 0.032 0.449 332 G N -0.874 107.951 108.800 0.042 0.000 2.176 332 G HA2 -0.465 nan 3.960 nan 0.000 0.253 332 G HA3 -0.465 nan 3.960 nan 0.000 0.253 332 G C -1.088 173.942 174.900 0.218 0.000 0.979 332 G CA 0.240 45.395 45.100 0.091 0.000 0.641 332 G HN -0.439 7.693 8.290 0.061 0.195 0.530 333 H N 1.749 120.859 119.070 0.067 0.000 2.458 333 H HA 0.164 nan 4.556 nan 0.000 0.330 333 H C -0.972 174.404 175.328 0.079 0.000 1.111 333 H CA -1.009 55.081 56.048 0.072 0.000 1.245 333 H CB 1.605 31.414 29.762 0.079 0.000 1.456 333 H HN 0.169 8.876 8.280 0.194 -0.310 0.488 334 R N 2.403 122.991 120.500 0.147 0.000 2.532 334 R HA 0.678 nan 4.340 nan 0.000 0.272 334 R C -1.029 175.337 176.300 0.111 0.000 1.032 334 R CA -1.239 54.929 56.100 0.114 0.000 1.089 334 R CB 1.307 31.650 30.300 0.072 0.000 1.098 334 R HN 0.799 9.496 8.270 0.084 -0.377 0.526 335 I N 0.808 121.454 120.570 0.126 0.000 2.534 335 I HA 0.401 nan 4.170 nan 0.000 0.286 335 I C -1.495 174.712 176.117 0.149 0.000 1.094 335 I CA -1.553 59.814 61.300 0.111 0.000 1.055 335 I CB 2.420 40.436 38.000 0.027 0.000 1.225 335 I HN 0.637 8.939 8.210 0.152 0.000 0.435 336 I N 6.707 127.352 120.570 0.126 0.000 2.312 336 I HA 0.357 nan 4.170 nan 0.000 0.291 336 I C -1.799 174.403 176.117 0.141 0.000 1.031 336 I CA -0.374 61.002 61.300 0.126 0.000 1.293 336 I CB 0.449 38.503 38.000 0.089 0.000 1.403 336 I HN 0.633 8.911 8.210 0.114 0.000 0.484 337 L N 7.586 128.917 121.223 0.180 0.000 2.309 337 L HA 0.821 nan 4.340 nan 0.000 0.282 337 L C -2.245 174.707 176.870 0.137 0.000 1.036 337 L CA -1.817 53.123 54.840 0.167 0.000 0.806 337 L CB 2.912 45.107 42.059 0.226 0.000 1.220 337 L HN 0.874 9.127 8.230 0.220 0.109 0.429 338 L N 4.215 125.506 121.223 0.115 0.000 2.307 338 L HA 0.372 nan 4.340 nan 0.000 0.284 338 L C -0.182 176.741 176.870 0.088 0.000 1.023 338 L CA -1.194 53.700 54.840 0.090 0.000 0.810 338 L CB 0.818 42.922 42.059 0.076 0.000 1.231 338 L HN 0.190 8.492 8.230 0.120 0.000 0.423 339 A N 2.828 125.693 122.820 0.075 0.000 2.798 339 A HA -0.459 nan 4.320 nan 0.000 0.282 339 A C -0.171 177.464 177.584 0.085 0.000 1.464 339 A CA 1.224 53.305 52.037 0.073 0.000 0.844 339 A CB -1.361 17.686 19.000 0.078 0.000 1.006 339 A HN 1.105 9.179 8.150 0.065 0.115 0.577 340 E N -5.485 114.773 120.200 0.096 0.000 2.360 340 E HA -0.472 nan 4.350 nan 0.000 0.238 340 E C 0.073 176.740 176.600 0.110 0.000 1.186 340 E CA 0.529 56.994 56.400 0.108 0.000 0.719 340 E CB -2.197 27.555 29.700 0.087 0.000 1.236 340 E HN 0.508 8.893 8.360 0.099 0.035 0.386 341 G N -5.226 103.643 108.800 0.115 0.000 2.212 341 G HA2 -0.516 nan 3.960 nan 0.000 0.266 341 G HA3 -0.516 nan 3.960 nan 0.000 0.266 341 G C -0.163 174.812 174.900 0.126 0.000 0.978 341 G CA 0.376 45.547 45.100 0.118 0.000 0.632 341 G HN 0.067 8.425 8.290 0.113 0.000 0.537 342 R N -0.675 119.910 120.500 0.142 0.000 2.697 342 R HA -0.034 nan 4.340 nan 0.000 0.262 342 R C -0.257 176.127 176.300 0.140 0.000 1.255 342 R CA -0.919 55.311 56.100 0.217 0.000 1.136 342 R CB 0.713 31.155 30.300 0.238 0.000 1.169 342 R HN -0.190 7.951 8.270 0.125 0.205 0.594 343 L N -1.558 119.737 121.223 0.121 0.000 2.477 343 L HA -0.144 nan 4.340 nan 0.000 0.272 343 L C 0.828 177.721 176.870 0.038 0.000 1.157 343 L CA 0.488 55.316 54.840 -0.019 0.000 0.889 343 L CB -0.494 41.459 42.059 -0.177 0.000 1.158 343 L HN -0.055 8.351 8.230 0.294 0.000 0.473 344 V N 5.413 125.343 119.914 0.027 0.000 2.548 344 V HA -0.425 nan 4.120 nan 0.000 0.249 344 V C 1.030 177.143 176.094 0.031 0.000 1.055 344 V CA 3.288 65.611 62.300 0.038 0.000 1.065 344 V CB 0.006 31.852 31.823 0.038 0.000 0.681 344 V HN 0.957 9.155 8.190 0.014 0.000 0.462 345 N N -0.150 118.560 118.700 0.017 0.000 2.216 345 N HA -0.286 nan 4.740 nan 0.000 0.183 345 N C 1.865 177.385 175.510 0.017 0.000 1.017 345 N CA 3.090 56.153 53.050 0.021 0.000 0.861 345 N CB -0.756 37.748 38.487 0.029 0.000 0.986 345 N HN 0.255 8.638 8.380 0.005 0.000 0.428 346 L N -2.009 119.220 121.223 0.010 0.000 2.249 346 L HA 0.062 nan 4.340 nan 0.000 0.207 346 L C 1.480 178.393 176.870 0.070 0.000 1.090 346 L CA 1.831 56.696 54.840 0.042 0.000 0.802 346 L CB -0.233 41.870 42.059 0.073 0.000 0.947 346 L HN -0.579 7.650 8.230 -0.003 0.000 0.453 347 G N -2.012 106.833 108.800 0.074 0.000 2.408 347 G HA2 -0.128 nan 3.960 nan 0.000 0.215 347 G HA3 -0.128 nan 3.960 nan 0.000 0.215 347 G C 0.185 175.115 174.900 0.050 0.000 1.156 347 G CA 1.486 46.628 45.100 0.070 0.000 0.793 347 G HN 0.035 8.366 8.290 0.068 0.000 0.535 348 C N -1.549 117.778 119.300 0.045 0.000 3.183 348 C HA 0.376 nan 4.460 nan 0.000 0.285 348 C C -1.372 173.641 174.990 0.039 0.000 1.313 348 C CA -1.686 57.355 59.018 0.038 0.000 1.711 348 C CB -1.055 26.706 27.740 0.036 0.000 2.135 348 C HN -0.242 7.901 8.230 0.046 0.115 0.651 349 A N -1.122 121.724 122.820 0.044 0.000 3.065 349 A HA 0.290 nan 4.320 nan 0.000 0.293 349 A C -1.520 176.097 177.584 0.054 0.000 1.213 349 A CA -0.452 51.614 52.037 0.048 0.000 0.667 349 A CB 1.290 20.320 19.000 0.049 0.000 1.412 349 A HN -0.881 7.296 8.150 0.045 0.000 0.601 350 M N -0.555 119.081 119.600 0.061 0.000 2.404 350 M HA 0.159 nan 4.480 nan 0.000 0.271 350 M C 1.110 177.442 176.300 0.053 0.000 1.128 350 M CA -0.957 54.383 55.300 0.065 0.000 0.982 350 M CB -0.352 32.293 32.600 0.076 0.000 1.445 350 M HN 0.265 8.594 8.290 0.064 0.000 0.495 351 G N -1.288 107.530 108.800 0.030 0.000 2.598 351 G HA2 -0.330 nan 3.960 nan 0.000 0.244 351 G HA3 -0.330 nan 3.960 nan 0.000 0.244 351 G C -0.763 174.169 174.900 0.053 0.000 1.302 351 G CA -0.164 44.908 45.100 -0.048 0.000 0.903 351 G HN -0.294 7.886 8.290 0.038 0.133 0.575 352 H N 1.536 120.636 119.070 0.049 0.000 2.707 352 H HA 0.068 nan 4.556 nan 0.000 0.359 352 H C -1.918 173.448 175.328 0.063 0.000 1.113 352 H CA -2.085 53.997 56.048 0.056 0.000 1.422 352 H CB 0.340 30.126 29.762 0.041 0.000 1.443 352 H HN 0.179 8.263 8.280 -0.326 0.000 0.591 353 P HA 0.020 nan 4.420 nan 0.000 0.272 353 P C 0.529 177.917 177.300 0.147 0.000 1.223 353 P CA -0.326 62.875 63.100 0.168 0.000 0.784 353 P CB 0.617 32.419 31.700 0.170 0.000 0.923 354 S N 2.846 118.618 115.700 0.121 0.000 2.374 354 S HA -0.357 nan 4.470 nan 0.000 0.227 354 S C 1.866 176.507 174.600 0.069 0.000 1.037 354 S CA 4.336 62.584 58.200 0.080 0.000 1.024 354 S CB -0.216 63.034 63.200 0.084 0.000 0.861 354 S HN 0.665 9.046 8.310 0.118 0.000 0.456 355 F N 0.531 120.480 119.950 -0.002 0.000 2.202 355 F HA -0.251 nan 4.527 nan 0.000 0.301 355 F C 1.234 176.952 175.800 -0.137 0.000 1.082 355 F CA 3.064 61.049 58.000 -0.025 0.000 1.313 355 F CB 0.150 39.165 39.000 0.024 0.000 1.024 355 F HN -0.116 8.353 8.300 0.292 0.006 0.495 356 V N -1.918 118.037 119.914 0.068 0.000 2.591 356 V HA -0.242 nan 4.120 nan 0.000 0.249 356 V C 1.391 177.335 176.094 -0.251 0.000 1.053 356 V CA 3.740 66.022 62.300 -0.029 0.000 1.068 356 V CB -0.308 31.637 31.823 0.203 0.000 0.689 356 V HN -0.282 7.888 8.190 0.184 0.131 0.462 357 M N -0.276 119.166 119.600 -0.263 0.000 2.200 357 M HA -0.163 nan 4.480 nan 0.000 0.265 357 M C 2.362 178.313 176.300 -0.582 0.000 1.066 357 M CA 1.432 56.380 55.300 -0.588 0.000 1.127 357 M CB -1.882 30.407 32.600 -0.519 0.000 1.379 357 M HN -0.869 7.250 8.290 -0.128 0.094 0.420 358 S N 0.432 115.931 115.700 -0.334 0.000 2.374 358 S HA -0.478 nan 4.470 nan 0.000 0.227 358 S C 1.967 176.450 174.600 -0.194 0.000 1.037 358 S CA 3.696 61.776 58.200 -0.201 0.000 1.024 358 S CB -0.363 62.702 63.200 -0.225 0.000 0.861 358 S HN 0.526 8.468 8.310 -0.284 0.198 0.456 359 N N 0.655 119.062 118.700 -0.489 0.000 2.135 359 N HA -0.238 nan 4.740 nan 0.000 0.186 359 N C 2.437 177.780 175.510 -0.279 0.000 1.027 359 N CA 3.517 56.218 53.050 -0.582 0.000 0.849 359 N CB 0.019 37.865 38.487 -1.069 0.000 1.002 359 N HN -0.668 7.224 8.380 -0.642 0.103 0.425 360 S N 1.960 117.490 115.700 -0.283 0.000 2.355 360 S HA -0.288 nan 4.470 nan 0.000 0.222 360 S C 2.103 176.726 174.600 0.037 0.000 1.031 360 S CA 3.504 61.614 58.200 -0.150 0.000 0.993 360 S CB 0.123 63.180 63.200 -0.238 0.000 0.859 360 S HN -0.575 7.506 8.310 -0.382 0.000 0.453 361 F N -0.015 119.915 119.950 -0.034 0.000 2.186 361 F HA -0.084 nan 4.527 nan 0.000 0.299 361 F C 1.896 177.684 175.800 -0.019 0.000 1.090 361 F CA 0.909 58.898 58.000 -0.019 0.000 1.307 361 F CB -1.109 37.872 39.000 -0.033 0.000 1.019 361 F HN 0.521 8.471 8.300 -0.400 0.111 0.489 362 T N 1.788 116.424 114.554 0.137 0.000 2.881 362 T HA -0.378 nan 4.350 nan 0.000 0.270 362 T C 2.148 176.893 174.700 0.074 0.000 1.068 362 T CA 4.970 67.123 62.100 0.088 0.000 1.131 362 T CB -0.722 68.198 68.868 0.087 0.000 0.871 362 T HN 0.194 8.369 8.240 0.073 0.109 0.479 363 N N 1.192 119.932 118.700 0.067 0.000 2.142 363 N HA -0.264 nan 4.740 nan 0.000 0.186 363 N C 1.895 177.448 175.510 0.072 0.000 1.023 363 N CA 3.766 56.852 53.050 0.060 0.000 0.852 363 N CB -0.165 38.353 38.487 0.052 0.000 0.998 363 N HN -0.533 7.759 8.380 0.057 0.123 0.424 364 Q N 0.201 120.066 119.800 0.108 0.000 2.030 364 Q HA -0.276 nan 4.340 nan 0.000 0.204 364 Q C 2.368 178.398 176.000 0.050 0.000 0.986 364 Q CA 2.994 58.853 55.803 0.093 0.000 0.843 364 Q CB -0.279 28.539 28.738 0.133 0.000 0.904 364 Q HN -0.578 7.693 8.270 0.153 0.092 0.420 365 V N 0.940 120.881 119.914 0.045 0.000 2.332 365 V HA -0.430 nan 4.120 nan 0.000 0.248 365 V C 2.343 178.424 176.094 -0.021 0.000 1.055 365 V CA 4.618 66.918 62.300 -0.000 0.000 1.038 365 V CB -1.047 30.775 31.823 -0.003 0.000 0.651 365 V HN -0.008 8.226 8.190 0.073 0.000 0.450 366 M N -2.073 117.530 119.600 0.005 0.000 2.159 366 M HA -0.363 nan 4.480 nan 0.000 0.263 366 M C 2.308 178.609 176.300 0.001 0.000 1.063 366 M CA 2.574 57.877 55.300 0.005 0.000 1.110 366 M CB -1.532 31.089 32.600 0.036 0.000 1.374 366 M HN -0.055 8.247 8.290 0.029 0.005 0.411 367 A N -0.592 122.229 122.820 0.001 0.000 1.854 367 A HA -0.310 nan 4.320 nan 0.000 0.214 367 A C 2.026 179.595 177.584 -0.025 0.000 1.192 367 A CA 3.155 55.177 52.037 -0.025 0.000 0.611 367 A CB -1.041 17.946 19.000 -0.021 0.000 0.832 367 A HN 0.004 8.053 8.150 0.014 0.109 0.442 368 Q N -0.706 119.088 119.800 -0.011 0.000 2.077 368 Q HA -0.340 nan 4.340 nan 0.000 0.206 368 Q C 2.594 178.616 176.000 0.036 0.000 0.989 368 Q CA 2.965 58.766 55.803 -0.003 0.000 0.853 368 Q CB -0.425 28.296 28.738 -0.030 0.000 0.907 368 Q HN -0.154 8.112 8.270 -0.007 0.000 0.418 369 I N -1.343 119.224 120.570 -0.004 0.000 2.286 369 I HA -0.495 nan 4.170 nan 0.000 0.248 369 I C 2.216 178.395 176.117 0.104 0.000 1.115 369 I CA 3.763 65.066 61.300 0.005 0.000 1.392 369 I CB -0.326 37.582 38.000 -0.153 0.000 1.065 369 I HN 0.017 8.203 8.210 -0.039 0.000 0.418 370 E N 0.283 120.547 120.200 0.107 0.000 2.028 370 E HA -0.234 nan 4.350 nan 0.000 0.190 370 E C 3.044 179.792 176.600 0.247 0.000 0.984 370 E CA 2.952 59.491 56.400 0.230 0.000 0.800 370 E CB -0.042 29.715 29.700 0.095 0.000 0.758 370 E HN -0.798 7.509 8.360 0.045 0.080 0.448 371 L N -0.364 120.884 121.223 0.042 0.000 1.970 371 L HA -0.345 nan 4.340 nan 0.000 0.212 371 L C 2.571 179.520 176.870 0.132 0.000 1.071 371 L CA 3.103 57.947 54.840 0.007 0.000 0.751 371 L CB -0.416 41.618 42.059 -0.042 0.000 0.889 371 L HN 0.224 8.448 8.230 -0.010 0.000 0.432 372 W N -0.506 120.774 121.300 -0.033 0.000 2.317 372 W HA -0.434 nan 4.660 nan 0.000 0.318 372 W C 1.845 178.327 176.519 -0.062 0.000 1.227 372 W CA 3.442 60.757 57.345 -0.049 0.000 1.269 372 W CB 0.096 29.514 29.460 -0.070 0.000 1.155 372 W HN -0.364 7.991 8.180 0.291 0.000 0.484 373 T N -3.002 111.520 114.554 -0.053 0.000 3.113 373 T HA -0.180 nan 4.350 nan 0.000 0.263 373 T C 0.039 174.403 174.700 -0.559 0.000 1.143 373 T CA 1.958 63.874 62.100 -0.306 0.000 1.090 373 T CB -0.446 68.304 68.868 -0.196 0.000 0.922 373 T HN -0.531 7.809 8.240 0.166 0.000 0.521 374 H N 0.549 119.594 119.070 -0.041 0.000 2.348 374 H HA 0.464 nan 4.556 nan 0.000 0.232 374 H C -1.487 173.837 175.328 -0.007 0.000 1.419 374 H CA -2.382 53.672 56.048 0.010 0.000 1.416 374 H CB -0.211 29.641 29.762 0.150 0.000 1.510 374 H HN -0.454 7.628 8.280 0.013 0.205 0.507 375 P HA -0.259 nan 4.420 nan 0.000 0.217 375 P C -0.232 177.057 177.300 -0.018 0.000 1.162 375 P CA 2.407 65.447 63.100 -0.100 0.000 0.901 375 P CB 0.115 31.718 31.700 -0.162 0.000 0.793 376 D N -4.973 115.426 120.400 -0.002 0.000 2.513 376 D HA 0.112 nan 4.640 nan 0.000 0.222 376 D C -0.294 175.996 176.300 -0.017 0.000 1.210 376 D CA 0.401 54.400 54.000 -0.002 0.000 0.825 376 D CB 0.026 40.813 40.800 -0.022 0.000 1.037 376 D HN 0.285 8.653 8.370 -0.005 0.000 0.506 377 K N -0.663 119.723 120.400 -0.023 0.000 2.361 377 K HA -0.074 nan 4.320 nan 0.000 0.196 377 K C 0.039 176.406 176.600 -0.389 0.000 1.039 377 K CA 1.346 57.510 56.287 -0.206 0.000 1.001 377 K CB 0.634 32.954 32.500 -0.299 0.000 0.795 377 K HN -0.597 7.691 8.250 0.063 0.000 0.495 378 Y N 0.898 121.122 120.300 -0.127 0.000 2.356 378 Y HA 0.223 nan 4.550 nan 0.000 0.334 378 Y C -2.034 173.793 175.900 -0.122 0.000 0.958 378 Y CA -2.131 55.811 58.100 -0.263 0.000 1.196 378 Y CB 0.148 38.401 38.460 -0.346 0.000 1.137 378 Y HN -0.453 7.871 8.280 0.127 0.032 0.485 379 P HA 0.010 nan 4.420 nan 0.000 0.273 379 P C -0.985 176.491 177.300 0.293 0.000 1.250 379 P CA -0.677 62.526 63.100 0.173 0.000 0.793 379 P CB 0.520 32.331 31.700 0.185 0.000 1.011 380 V N 0.015 120.034 119.914 0.174 0.000 2.763 380 V HA -0.221 nan 4.120 nan 0.000 0.306 380 V C -0.028 176.133 176.094 0.112 0.000 1.059 380 V CA 1.255 63.635 62.300 0.134 0.000 1.138 380 V CB -0.795 31.072 31.823 0.074 0.000 0.940 380 V HN 0.236 8.500 8.190 0.123 0.000 0.489 381 G N 4.216 113.032 108.800 0.026 0.000 2.362 381 G HA2 -0.195 nan 3.960 nan 0.000 0.656 381 G HA3 -0.195 nan 3.960 nan 0.000 0.656 381 G C -2.201 172.499 174.900 -0.333 0.000 1.376 381 G CA -0.693 44.300 45.100 -0.179 0.000 0.971 381 G HN -0.309 8.009 8.290 0.048 0.000 0.636 382 V N 2.687 122.292 119.914 -0.514 0.000 2.372 382 V HA 0.329 nan 4.120 nan 0.000 0.261 382 V C -0.725 174.992 176.094 -0.628 0.000 1.055 382 V CA -1.844 60.105 62.300 -0.585 0.000 0.930 382 V CB -0.443 30.845 31.823 -0.891 0.000 1.031 382 V HN 0.296 8.173 8.190 -0.522 0.000 0.479 383 H N 8.296 127.245 119.070 -0.202 0.000 2.544 383 H HA 0.255 nan 4.556 nan 0.000 0.342 383 H C -0.706 174.566 175.328 -0.093 0.000 1.185 383 H CA -1.849 54.158 56.048 -0.068 0.000 1.264 383 H CB 3.180 33.023 29.762 0.135 0.000 1.607 383 H HN 0.132 8.276 8.280 -0.042 0.110 0.550 384 F N -1.177 118.900 119.950 0.211 0.000 2.377 384 F HA 0.197 nan 4.527 nan 0.000 0.328 384 F C -0.587 175.295 175.800 0.137 0.000 1.094 384 F CA -0.840 57.249 58.000 0.147 0.000 1.093 384 F CB 1.063 40.148 39.000 0.141 0.000 1.214 384 F HN 0.125 8.718 8.300 0.487 0.000 0.518 385 L N 3.281 124.687 121.223 0.305 0.000 2.477 385 L HA 0.020 nan 4.340 nan 0.000 0.272 385 L C -1.148 175.826 176.870 0.175 0.000 1.157 385 L CA -1.769 53.178 54.840 0.178 0.000 0.889 385 L CB 0.428 42.561 42.059 0.124 0.000 1.158 385 L HN -0.176 8.255 8.230 0.336 0.000 0.473 386 P HA 0.007 nan 4.420 nan 0.000 0.261 386 P C 0.198 177.545 177.300 0.077 0.000 1.183 386 P CA -0.449 62.721 63.100 0.118 0.000 0.761 386 P CB 0.470 32.230 31.700 0.100 0.000 0.785 387 K N 6.301 126.739 120.400 0.062 0.000 2.107 387 K HA -0.545 nan 4.320 nan 0.000 0.211 387 K C 1.830 178.449 176.600 0.032 0.000 1.049 387 K CA 4.251 60.568 56.287 0.049 0.000 0.927 387 K CB 0.065 32.593 32.500 0.047 0.000 0.714 387 K HN 0.673 8.962 8.250 0.066 0.000 0.452 388 K N -2.308 118.094 120.400 0.003 0.000 2.211 388 K HA -0.233 nan 4.320 nan 0.000 0.204 388 K C 2.338 178.955 176.600 0.028 0.000 1.047 388 K CA 2.710 58.987 56.287 -0.016 0.000 0.935 388 K CB -0.446 32.027 32.500 -0.046 0.000 0.728 388 K HN 0.022 8.260 8.250 -0.001 0.012 0.452 389 L N -2.440 118.810 121.223 0.045 0.000 2.179 389 L HA -0.270 nan 4.340 nan 0.000 0.208 389 L C 1.613 178.519 176.870 0.060 0.000 1.096 389 L CA 2.561 57.438 54.840 0.061 0.000 0.779 389 L CB -0.357 41.740 42.059 0.064 0.000 0.922 389 L HN 0.212 8.339 8.230 0.043 0.130 0.443 390 D N 0.056 120.488 120.400 0.052 0.000 2.117 390 D HA -0.267 nan 4.640 nan 0.000 0.198 390 D C 2.334 178.657 176.300 0.039 0.000 0.982 390 D CA 3.583 57.604 54.000 0.036 0.000 0.828 390 D CB -0.027 40.788 40.800 0.025 0.000 0.967 390 D HN -0.614 7.677 8.370 0.053 0.111 0.464 391 E N -0.731 119.506 120.200 0.062 0.000 2.110 391 E HA -0.310 nan 4.350 nan 0.000 0.193 391 E C 2.199 178.864 176.600 0.107 0.000 0.988 391 E CA 2.769 59.231 56.400 0.103 0.000 0.804 391 E CB -0.143 29.644 29.700 0.145 0.000 0.745 391 E HN 0.418 8.707 8.360 0.058 0.106 0.458 392 A N -0.497 122.379 122.820 0.093 0.000 1.877 392 A HA -0.170 nan 4.320 nan 0.000 0.216 392 A C 2.094 179.742 177.584 0.107 0.000 1.186 392 A CA 3.109 55.207 52.037 0.102 0.000 0.620 392 A CB -0.704 18.357 19.000 0.102 0.000 0.822 392 A HN -0.422 7.666 8.150 0.079 0.109 0.443 393 V N -2.135 117.833 119.914 0.090 0.000 2.515 393 V HA -0.372 nan 4.120 nan 0.000 0.250 393 V C 1.183 177.350 176.094 0.122 0.000 1.058 393 V CA 2.642 65.003 62.300 0.101 0.000 1.064 393 V CB -0.980 30.871 31.823 0.047 0.000 0.675 393 V HN -0.335 7.899 8.190 0.074 0.000 0.461 394 A N 0.278 123.138 122.820 0.067 0.000 1.858 394 A HA -0.389 nan 4.320 nan 0.000 0.216 394 A C 1.977 179.655 177.584 0.156 0.000 1.190 394 A CA 3.486 55.566 52.037 0.071 0.000 0.617 394 A CB -0.803 18.241 19.000 0.073 0.000 0.827 394 A HN -0.340 7.837 8.150 0.057 0.007 0.443 395 E N -0.965 119.319 120.200 0.140 0.000 2.265 395 E HA -0.343 nan 4.350 nan 0.000 0.196 395 E C 1.140 177.811 176.600 0.118 0.000 0.996 395 E CA 2.192 58.668 56.400 0.127 0.000 0.832 395 E CB -0.120 29.648 29.700 0.114 0.000 0.756 395 E HN -0.079 8.356 8.360 0.126 0.000 0.491 396 A N -4.002 118.899 122.820 0.136 0.000 2.119 396 A HA -0.163 nan 4.320 nan 0.000 0.217 396 A C 1.781 179.306 177.584 -0.098 0.000 1.153 396 A CA 2.086 54.137 52.037 0.024 0.000 0.692 396 A CB -0.143 18.852 19.000 -0.009 0.000 0.799 396 A HN -0.492 7.622 8.150 0.173 0.139 0.458 397 H N -4.253 114.812 119.070 -0.008 0.000 2.582 397 H HA 0.067 nan 4.556 nan 0.000 0.269 397 H C 0.015 175.429 175.328 0.143 0.000 0.962 397 H CA 0.767 56.843 56.048 0.047 0.000 1.230 397 H CB 0.395 30.140 29.762 -0.027 0.000 1.445 397 H HN -0.213 8.102 8.280 0.348 0.173 0.528 398 L N -1.858 119.487 121.223 0.204 0.000 2.467 398 L HA -0.273 nan 4.340 nan 0.000 0.270 398 L C 1.812 178.738 176.870 0.093 0.000 1.205 398 L CA 1.182 56.106 54.840 0.139 0.000 0.828 398 L CB -0.716 41.404 42.059 0.102 0.000 1.101 398 L HN -0.874 7.471 8.230 0.191 0.000 0.479 399 G N 2.014 110.854 108.800 0.068 0.000 3.642 399 G HA2 -0.294 nan 3.960 nan 0.000 0.205 399 G HA3 -0.294 nan 3.960 nan 0.000 0.205 399 G C 1.334 176.260 174.900 0.043 0.000 1.526 399 G CA 0.575 45.700 45.100 0.042 0.000 1.097 399 G HN 0.350 8.817 8.290 0.064 -0.138 0.596 400 K N 4.213 124.654 120.400 0.067 0.000 2.063 400 K HA -0.162 nan 4.320 nan 0.000 0.208 400 K C 1.067 177.695 176.600 0.048 0.000 1.048 400 K CA 1.975 58.306 56.287 0.073 0.000 0.928 400 K CB -0.148 32.449 32.500 0.161 0.000 0.713 400 K HN -0.335 7.919 8.250 0.075 0.041 0.442 401 L N -4.935 116.329 121.223 0.069 0.000 2.552 401 L HA -0.039 nan 4.340 nan 0.000 0.227 401 L C -0.474 176.402 176.870 0.011 0.000 1.146 401 L CA 0.075 54.925 54.840 0.016 0.000 0.858 401 L CB 0.062 42.151 42.059 0.050 0.000 0.969 401 L HN -0.577 7.737 8.230 0.128 -0.007 0.451 402 N N -1.169 117.544 118.700 0.022 0.000 2.696 402 N HA -0.217 nan 4.740 nan 0.000 0.256 402 N C -1.111 174.406 175.510 0.013 0.000 1.031 402 N CA 1.040 54.098 53.050 0.013 0.000 0.730 402 N CB -0.329 38.159 38.487 0.001 0.000 0.894 402 N HN -0.391 7.852 8.380 0.033 0.157 0.544 403 V N -1.588 118.341 119.914 0.025 0.000 2.612 403 V HA -0.002 nan 4.120 nan 0.000 0.301 403 V C -0.652 175.455 176.094 0.020 0.000 1.046 403 V CA -0.701 61.613 62.300 0.024 0.000 0.946 403 V CB 2.363 34.211 31.823 0.041 0.000 1.003 403 V HN -0.418 7.886 8.190 0.036 -0.093 0.459 404 K N 4.206 124.613 120.400 0.011 0.000 2.464 404 K HA 0.124 nan 4.320 nan 0.000 0.252 404 K C -1.363 175.238 176.600 0.001 0.000 1.000 404 K CA -0.824 55.467 56.287 0.007 0.000 0.951 404 K CB 0.386 32.887 32.500 0.002 0.000 1.183 404 K HN 0.096 8.351 8.250 0.008 0.000 0.445 405 L N 4.443 125.668 121.223 0.003 0.000 2.426 405 L HA -0.004 nan 4.340 nan 0.000 0.271 405 L C 0.185 177.042 176.870 -0.022 0.000 1.169 405 L CA 0.259 55.091 54.840 -0.013 0.000 0.836 405 L CB 1.085 43.142 42.059 -0.004 0.000 1.112 405 L HN 0.095 8.332 8.230 0.012 0.000 0.465 406 T N 2.059 116.587 114.554 -0.043 0.000 2.867 406 T HA 0.121 nan 4.350 nan 0.000 0.282 406 T C -0.125 174.544 174.700 -0.051 0.000 1.000 406 T CA -0.890 61.188 62.100 -0.038 0.000 1.042 406 T CB 0.912 69.758 68.868 -0.037 0.000 0.973 406 T HN -0.125 8.078 8.240 -0.061 0.000 0.465 407 K N 2.936 123.322 120.400 -0.024 0.000 2.201 407 K HA 0.121 nan 4.320 nan 0.000 0.278 407 K C -0.317 176.280 176.600 -0.005 0.000 1.027 407 K CA -0.758 55.524 56.287 -0.008 0.000 0.909 407 K CB 0.746 33.257 32.500 0.018 0.000 1.062 407 K HN 0.187 8.428 8.250 -0.014 0.000 0.465 408 L N 3.897 125.125 121.223 0.007 0.000 2.453 408 L HA -0.010 nan 4.340 nan 0.000 0.272 408 L C 0.466 177.362 176.870 0.043 0.000 1.182 408 L CA -0.012 54.844 54.840 0.028 0.000 0.858 408 L CB 0.583 42.686 42.059 0.073 0.000 1.120 408 L HN 0.330 8.568 8.230 0.014 0.000 0.474 409 T N 2.719 117.293 114.554 0.033 0.000 2.849 409 T HA 0.208 nan 4.350 nan 0.000 0.284 409 T C 1.068 175.795 174.700 0.045 0.000 1.004 409 T CA -1.266 60.853 62.100 0.031 0.000 1.021 409 T CB 2.295 71.173 68.868 0.016 0.000 1.013 409 T HN 0.331 8.928 8.240 0.026 -0.341 0.527 410 E N 2.356 122.579 120.200 0.039 0.000 2.097 410 E HA -0.425 nan 4.350 nan 0.000 0.196 410 E C 2.045 178.675 176.600 0.051 0.000 1.000 410 E CA 4.175 60.601 56.400 0.043 0.000 0.804 410 E CB -0.219 29.501 29.700 0.033 0.000 0.740 410 E HN 0.559 8.938 8.360 0.032 0.000 0.454 411 K N -1.625 118.800 120.400 0.042 0.000 2.002 411 K HA -0.316 nan 4.320 nan 0.000 0.209 411 K C 2.321 178.971 176.600 0.083 0.000 1.048 411 K CA 3.054 59.370 56.287 0.048 0.000 0.930 411 K CB -0.363 32.147 32.500 0.017 0.000 0.714 411 K HN -0.049 8.212 8.250 0.031 0.008 0.438 412 Q N -1.029 118.814 119.800 0.071 0.000 2.124 412 Q HA -0.330 nan 4.340 nan 0.000 0.202 412 Q C 2.479 178.575 176.000 0.159 0.000 0.977 412 Q CA 2.873 58.746 55.803 0.117 0.000 0.850 412 Q CB -0.100 28.680 28.738 0.069 0.000 0.901 412 Q HN -0.643 7.653 8.270 0.045 0.000 0.429 413 A N -0.043 122.846 122.820 0.114 0.000 1.865 413 A HA -0.393 nan 4.320 nan 0.000 0.217 413 A C 2.256 179.897 177.584 0.095 0.000 1.191 413 A CA 3.378 55.480 52.037 0.107 0.000 0.623 413 A CB -0.985 18.069 19.000 0.089 0.000 0.826 413 A HN 0.527 8.716 8.150 0.092 0.017 0.444 414 Q N -1.822 118.034 119.800 0.093 0.000 2.124 414 Q HA -0.330 nan 4.340 nan 0.000 0.202 414 Q C 2.145 178.199 176.000 0.090 0.000 0.977 414 Q CA 2.668 58.517 55.803 0.076 0.000 0.850 414 Q CB 0.109 28.890 28.738 0.071 0.000 0.901 414 Q HN -0.372 7.953 8.270 0.091 0.000 0.429 415 Y N 0.014 120.325 120.300 0.017 0.000 2.128 415 Y HA -0.297 nan 4.550 nan 0.000 0.284 415 Y C 0.758 176.668 175.900 0.017 0.000 1.154 415 Y CA 2.793 60.902 58.100 0.014 0.000 1.149 415 Y CB 0.481 38.949 38.460 0.012 0.000 0.976 415 Y HN -0.436 7.910 8.280 0.244 0.081 0.505 416 L N -3.671 117.551 121.223 -0.002 0.000 2.478 416 L HA -0.039 nan 4.340 nan 0.000 0.223 416 L C 0.675 177.507 176.870 -0.062 0.000 1.140 416 L CA 0.350 55.149 54.840 -0.070 0.000 0.842 416 L CB 0.429 42.522 42.059 0.057 0.000 0.953 416 L HN -0.032 8.189 8.230 0.160 0.105 0.452 417 G N -1.018 107.762 108.800 -0.033 0.000 2.295 417 G HA2 -0.357 nan 3.960 nan 0.000 0.287 417 G HA3 -0.357 nan 3.960 nan 0.000 0.287 417 G C -0.936 173.960 174.900 -0.007 0.000 1.055 417 G CA 0.337 45.422 45.100 -0.025 0.000 0.922 417 G HN -0.309 7.780 8.290 -0.006 0.198 0.503 418 M N -2.283 117.330 119.600 0.022 0.000 2.531 418 M HA 0.428 nan 4.480 nan 0.000 0.286 418 M C -3.138 173.184 176.300 0.037 0.000 1.232 418 M CA -2.463 52.849 55.300 0.021 0.000 0.877 418 M CB 1.572 34.207 32.600 0.058 0.000 1.726 418 M HN -0.255 8.060 8.290 0.041 0.000 0.463 419 P HA 0.155 nan 4.420 nan 0.000 0.272 419 P C -0.203 177.143 177.300 0.076 0.000 1.223 419 P CA -0.449 62.650 63.100 -0.002 0.000 0.784 419 P CB 0.527 32.186 31.700 -0.068 0.000 0.923 420 I N -0.546 120.085 120.570 0.101 0.000 2.423 420 I HA -0.314 nan 4.170 nan 0.000 0.254 420 I C 0.998 177.282 176.117 0.279 0.000 1.151 420 I CA 2.491 63.895 61.300 0.174 0.000 1.421 420 I CB -0.027 38.037 38.000 0.108 0.000 1.079 420 I HN 0.340 8.589 8.210 0.065 0.000 0.431 421 N N -5.035 113.739 118.700 0.124 0.000 2.118 421 N HA 0.071 nan 4.740 nan 0.000 0.226 421 N C -0.167 175.169 175.510 -0.290 0.000 1.305 421 N CA -0.387 52.719 53.050 0.093 0.000 0.890 421 N CB 0.878 39.430 38.487 0.109 0.000 1.118 421 N HN -0.199 8.178 8.380 0.042 0.028 0.511 422 G N 1.291 109.882 108.800 -0.347 0.000 2.651 422 G HA2 0.060 nan 3.960 nan 0.000 0.260 422 G HA3 0.060 nan 3.960 nan 0.000 0.260 422 G C -2.194 172.252 174.900 -0.758 0.000 1.216 422 G CA -1.018 43.853 45.100 -0.381 0.000 0.913 422 G HN -0.575 7.457 8.290 -0.219 0.126 0.535 423 P HA -0.191 nan 4.420 nan 0.000 0.263 423 P C -1.487 175.504 177.300 -0.515 0.000 1.175 423 P CA 0.689 63.518 63.100 -0.451 0.000 0.761 423 P CB 0.061 31.646 31.700 -0.191 0.000 0.794 424 F N 2.167 122.095 119.950 -0.036 0.000 2.714 424 F HA 0.030 nan 4.527 nan 0.000 0.294 424 F C 0.241 175.939 175.800 -0.170 0.000 1.120 424 F CA 1.130 59.083 58.000 -0.079 0.000 1.398 424 F CB 0.748 39.712 39.000 -0.060 0.000 1.120 424 F HN 0.271 8.763 8.300 -0.206 -0.316 0.589 425 K N -2.280 118.082 120.400 -0.064 0.000 2.435 425 K HA 0.399 nan 4.320 nan 0.000 0.251 425 K C -2.732 173.765 176.600 -0.173 0.000 0.954 425 K CA -2.999 53.133 56.287 -0.259 0.000 0.820 425 K CB 1.606 33.746 32.500 -0.600 0.000 1.292 425 K HN -0.664 7.568 8.250 -0.029 0.000 0.436 426 P HA 0.222 nan 4.420 nan 0.000 0.274 426 P C 0.233 177.413 177.300 -0.200 0.000 1.246 426 P CA -0.746 62.224 63.100 -0.217 0.000 0.795 426 P CB 1.256 32.736 31.700 -0.367 0.000 1.006 427 D N -1.069 119.271 120.400 -0.099 0.000 2.311 427 D HA -0.223 nan 4.640 nan 0.000 0.212 427 D C 1.089 177.376 176.300 -0.022 0.000 0.972 427 D CA 2.583 56.562 54.000 -0.034 0.000 0.887 427 D CB -0.323 40.484 40.800 0.011 0.000 0.915 427 D HN 0.461 8.798 8.370 -0.056 0.000 0.497 428 H N -4.985 114.108 119.070 0.038 0.000 2.551 428 H HA 0.047 nan 4.556 nan 0.000 0.271 428 H C -0.464 174.881 175.328 0.028 0.000 0.984 428 H CA -0.885 55.174 56.048 0.018 0.000 1.164 428 H CB -0.593 29.174 29.762 0.008 0.000 1.437 428 H HN -0.412 7.607 8.280 -0.348 0.053 0.550 429 Y N 3.188 123.273 120.300 -0.358 0.000 2.605 429 Y HA -0.306 nan 4.550 nan 0.000 0.336 429 Y C -1.164 174.620 175.900 -0.192 0.000 1.111 429 Y CA 0.849 58.760 58.100 -0.315 0.000 1.422 429 Y CB -0.179 37.988 38.460 -0.488 0.000 1.193 429 Y HN -0.526 7.472 8.280 -0.193 0.166 0.526 430 R N 5.283 125.504 120.500 -0.465 0.000 2.349 430 R HA 0.098 nan 4.340 nan 0.000 0.299 430 R C -1.486 174.491 176.300 -0.538 0.000 1.027 430 R CA -0.822 55.129 56.100 -0.248 0.000 0.958 430 R CB 0.903 31.092 30.300 -0.185 0.000 1.047 430 R HN 0.259 8.210 8.270 -0.532 0.000 0.468 431 Y N 0.000 120.189 120.300 -0.185 0.000 2.660 431 Y HA 0.000 nan 4.550 nan 0.000 0.201 431 Y CA 0.000 58.057 58.100 -0.071 0.000 1.940 431 Y CB 0.000 38.551 38.460 0.152 0.000 1.050 431 Y HN 0.000 8.518 8.280 0.397 0.000 0.758