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_A 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 0.000 176.944 176.870 0.123 0.000 1.165 4 L CA 0.000 54.905 54.840 0.108 0.000 0.813 4 L CB 0.000 42.217 42.059 0.263 0.000 0.961 5 P HA 0.025 nan 4.420 nan 0.000 0.234 5 P C -1.695 175.551 177.300 -0.090 0.000 1.175 5 P CA 0.611 63.666 63.100 -0.075 0.000 0.801 5 P CB 0.996 32.559 31.700 -0.228 0.000 0.891 6 Y N -7.069 113.126 120.300 -0.174 0.000 2.925 6 Y HA 0.159 nan 4.550 nan 0.000 0.349 6 Y C -2.206 173.513 175.900 -0.302 0.000 1.342 6 Y CA -2.194 55.492 58.100 -0.689 0.000 1.093 6 Y CB 0.341 38.557 38.460 -0.407 0.000 1.571 6 Y HN -0.913 7.129 8.280 -0.397 0.000 0.438 7 K N -0.644 119.852 120.400 0.160 0.000 2.739 7 K HA 0.172 nan 4.320 nan 0.000 0.288 7 K C -3.019 173.809 176.600 0.380 0.000 1.142 7 K CA -0.318 56.201 56.287 0.387 0.000 1.060 7 K CB 1.922 34.865 32.500 0.739 0.000 1.338 7 K HN 0.352 8.554 8.250 -0.080 0.000 0.514 8 V N 3.116 123.168 119.914 0.230 0.000 2.715 8 V HA 0.459 nan 4.120 nan 0.000 0.310 8 V C -0.677 175.454 176.094 0.062 0.000 1.054 8 V CA -2.443 59.962 62.300 0.175 0.000 0.928 8 V CB 2.842 34.649 31.823 -0.027 0.000 1.007 8 V HN -0.105 8.240 8.190 0.258 0.000 0.437 9 A N 5.181 128.077 122.820 0.126 0.000 1.978 9 A HA -0.238 nan 4.320 nan 0.000 0.220 9 A C -0.579 177.008 177.584 0.005 0.000 1.170 9 A CA 2.701 54.740 52.037 0.003 0.000 0.636 9 A CB 0.512 19.604 19.000 0.153 0.000 0.810 9 A HN 0.669 9.006 8.150 0.312 0.000 0.448 10 D N -4.832 115.592 120.400 0.040 0.000 2.614 10 D HA 0.016 nan 4.640 nan 0.000 0.203 10 D C -1.131 175.183 176.300 0.023 0.000 1.312 10 D CA -0.224 53.799 54.000 0.038 0.000 0.889 10 D CB 1.166 42.006 40.800 0.067 0.000 1.615 10 D HN -0.880 7.506 8.370 0.057 0.018 0.567 11 I N 5.515 126.085 120.570 -0.001 0.000 3.680 11 I HA 0.176 nan 4.170 nan 0.000 0.306 11 I C -0.009 176.112 176.117 0.006 0.000 1.260 11 I CA -1.190 60.081 61.300 -0.049 0.000 1.201 11 I CB -0.057 37.885 38.000 -0.096 0.000 1.009 11 I HN 0.481 8.702 8.210 0.018 0.000 0.467 12 G N 0.456 109.286 108.800 0.050 0.000 2.494 12 G HA2 -0.004 nan 3.960 nan 0.000 0.216 12 G HA3 -0.004 nan 3.960 nan 0.000 0.216 12 G C 0.707 175.688 174.900 0.135 0.000 1.140 12 G CA 1.433 46.579 45.100 0.078 0.000 0.801 12 G HN -0.179 8.302 8.290 0.055 -0.159 0.536 13 L N -0.558 120.773 121.223 0.180 0.000 2.610 13 L HA 0.084 nan 4.340 nan 0.000 0.232 13 L C 1.100 178.097 176.870 0.212 0.000 1.149 13 L CA -1.281 53.757 54.840 0.331 0.000 0.872 13 L CB -2.233 40.036 42.059 0.350 0.000 0.992 13 L HN -0.772 7.515 8.230 0.137 0.025 0.447 14 A N 0.832 123.703 122.820 0.086 0.000 1.881 14 A HA -0.452 nan 4.320 nan 0.000 0.219 14 A C 1.443 179.060 177.584 0.055 0.000 1.215 14 A CA 3.423 55.469 52.037 0.015 0.000 0.648 14 A CB -1.148 17.839 19.000 -0.021 0.000 0.832 14 A HN -0.561 7.554 8.150 0.068 0.076 0.455 15 A N -2.969 119.913 122.820 0.104 0.000 2.024 15 A HA -0.215 nan 4.320 nan 0.000 0.220 15 A C 1.892 179.599 177.584 0.206 0.000 1.164 15 A CA 2.508 54.615 52.037 0.117 0.000 0.643 15 A CB -0.700 18.360 19.000 0.101 0.000 0.806 15 A HN 0.225 8.437 8.150 0.104 0.000 0.451 16 W N -0.244 121.084 121.300 0.047 0.000 2.494 16 W HA -0.089 nan 4.660 nan 0.000 0.286 16 W C 1.489 178.088 176.519 0.132 0.000 1.218 16 W CA 0.631 58.029 57.345 0.087 0.000 1.313 16 W CB 0.166 29.684 29.460 0.097 0.000 1.105 16 W HN -0.312 7.960 8.180 0.387 0.140 0.561 17 G N 0.186 108.972 108.800 -0.024 0.000 2.418 17 G HA2 -0.534 nan 3.960 nan 0.000 0.217 17 G HA3 -0.534 nan 3.960 nan 0.000 0.217 17 G C 0.704 175.488 174.900 -0.192 0.000 1.158 17 G CA 2.054 46.952 45.100 -0.337 0.000 0.771 17 G HN 0.605 8.740 8.290 0.082 0.204 0.545 18 R N 1.318 121.779 120.500 -0.066 0.000 2.083 18 R HA -0.293 nan 4.340 nan 0.000 0.237 18 R C 1.885 178.186 176.300 0.002 0.000 1.137 18 R CA 2.713 58.790 56.100 -0.039 0.000 0.951 18 R CB -0.518 29.779 30.300 -0.006 0.000 0.851 18 R HN 0.075 8.328 8.270 -0.024 0.003 0.434 19 K N -0.877 119.569 120.400 0.077 0.000 2.044 19 K HA -0.402 nan 4.320 nan 0.000 0.210 19 K C 2.376 179.033 176.600 0.095 0.000 1.049 19 K CA 3.133 59.492 56.287 0.120 0.000 0.927 19 K CB -0.292 32.347 32.500 0.232 0.000 0.713 19 K HN -0.737 7.498 8.250 0.116 0.084 0.443 20 A N -1.058 121.809 122.820 0.078 0.000 1.883 20 A HA -0.246 nan 4.320 nan 0.000 0.217 20 A C 2.207 179.781 177.584 -0.017 0.000 1.186 20 A CA 2.989 55.049 52.037 0.040 0.000 0.624 20 A CB -0.795 18.178 19.000 -0.045 0.000 0.822 20 A HN -0.358 7.839 8.150 0.079 0.000 0.444 21 L N -2.463 118.716 121.223 -0.074 0.000 2.012 21 L HA -0.516 nan 4.340 nan 0.000 0.210 21 L C 2.191 179.045 176.870 -0.027 0.000 1.073 21 L CA 3.175 57.973 54.840 -0.070 0.000 0.748 21 L CB -0.872 41.126 42.059 -0.103 0.000 0.891 21 L HN 0.336 8.430 8.230 -0.107 0.072 0.431 22 D N -2.836 117.558 120.400 -0.010 0.000 2.351 22 D HA -0.200 nan 4.640 nan 0.000 0.216 22 D C 1.960 178.271 176.300 0.017 0.000 0.968 22 D CA 3.015 57.017 54.000 0.003 0.000 0.899 22 D CB -0.332 40.475 40.800 0.012 0.000 0.907 22 D HN 0.223 8.589 8.370 -0.008 0.000 0.514 23 I N -1.698 118.888 120.570 0.028 0.000 2.810 23 I HA -0.096 nan 4.170 nan 0.000 0.262 23 I C 1.671 177.811 176.117 0.039 0.000 1.131 23 I CA 1.777 63.101 61.300 0.040 0.000 1.453 23 I CB 0.576 38.611 38.000 0.059 0.000 1.161 23 I HN -0.562 7.494 8.210 0.026 0.169 0.444 24 A N 0.545 123.384 122.820 0.032 0.000 1.933 24 A HA -0.291 nan 4.320 nan 0.000 0.218 24 A C 2.078 179.679 177.584 0.028 0.000 1.175 24 A CA 3.159 55.217 52.037 0.035 0.000 0.628 24 A CB -0.871 18.143 19.000 0.024 0.000 0.814 24 A HN -0.057 8.108 8.150 0.024 0.000 0.444 25 E N -1.758 118.448 120.200 0.010 0.000 2.114 25 E HA -0.469 nan 4.350 nan 0.000 0.199 25 E C 2.762 179.366 176.600 0.007 0.000 1.008 25 E CA 3.322 59.722 56.400 -0.000 0.000 0.810 25 E CB -0.590 29.104 29.700 -0.010 0.000 0.739 25 E HN 0.137 8.489 8.360 0.004 0.011 0.456 26 N N -1.496 117.217 118.700 0.023 0.000 2.272 26 N HA -0.262 nan 4.740 nan 0.000 0.185 26 N C 1.032 176.580 175.510 0.063 0.000 1.014 26 N CA 2.325 55.396 53.050 0.035 0.000 0.870 26 N CB 0.246 38.757 38.487 0.039 0.000 0.975 26 N HN -0.540 7.840 8.380 0.024 0.015 0.433 27 E N -4.144 116.104 120.200 0.079 0.000 2.465 27 E HA 0.059 nan 4.350 nan 0.000 0.195 27 E C -1.047 175.609 176.600 0.093 0.000 1.028 27 E CA -0.917 55.572 56.400 0.149 0.000 0.899 27 E CB 0.449 30.243 29.700 0.157 0.000 1.032 27 E HN -0.305 7.936 8.360 0.061 0.155 0.468 28 M N -1.092 118.511 119.600 0.003 0.000 3.062 28 M HA 0.547 nan 4.480 nan 0.000 0.270 28 M C -2.439 173.775 176.300 -0.143 0.000 1.270 28 M CA -2.014 53.240 55.300 -0.078 0.000 0.702 28 M CB -0.110 32.474 32.600 -0.025 0.000 1.398 28 M HN -0.284 7.807 8.290 0.011 0.206 0.490 29 P HA -0.064 nan 4.420 nan 0.000 0.223 29 P C 1.046 178.098 177.300 -0.413 0.000 1.144 29 P CA 2.635 65.583 63.100 -0.252 0.000 0.783 29 P CB -0.081 31.494 31.700 -0.207 0.000 0.771 30 G N -1.080 107.333 108.800 -0.645 0.000 2.404 30 G HA2 -0.251 nan 3.960 nan 0.000 0.215 30 G HA3 -0.251 nan 3.960 nan 0.000 0.215 30 G C 0.987 175.773 174.900 -0.190 0.000 1.174 30 G CA 1.962 46.722 45.100 -0.566 0.000 0.780 30 G HN 0.016 7.876 8.290 -0.631 0.052 0.537 31 L N 1.131 122.286 121.223 -0.114 0.000 2.156 31 L HA -0.238 nan 4.340 nan 0.000 0.208 31 L C 2.212 179.057 176.870 -0.041 0.000 1.095 31 L CA 2.544 57.362 54.840 -0.036 0.000 0.770 31 L CB -0.072 41.985 42.059 -0.004 0.000 0.914 31 L HN -0.575 7.574 8.230 -0.134 0.000 0.439 32 M N -2.570 116.987 119.600 -0.071 0.000 2.254 32 M HA -0.275 nan 4.480 nan 0.000 0.265 32 M C 2.527 178.796 176.300 -0.051 0.000 1.066 32 M CA 1.387 56.653 55.300 -0.056 0.000 1.123 32 M CB -1.588 30.975 32.600 -0.061 0.000 1.388 32 M HN -0.539 7.597 8.290 -0.103 0.093 0.425 33 R N -0.370 120.086 120.500 -0.074 0.000 2.090 33 R HA -0.244 nan 4.340 nan 0.000 0.228 33 R C 2.639 178.937 176.300 -0.003 0.000 1.110 33 R CA 3.204 59.270 56.100 -0.058 0.000 0.973 33 R CB -0.031 30.220 30.300 -0.080 0.000 0.869 33 R HN -0.034 8.167 8.270 -0.116 0.000 0.440 34 M N -1.839 117.794 119.600 0.056 0.000 2.144 34 M HA -0.327 nan 4.480 nan 0.000 0.260 34 M C 2.521 178.945 176.300 0.206 0.000 1.067 34 M CA 2.052 57.480 55.300 0.213 0.000 1.095 34 M CB -1.321 31.366 32.600 0.145 0.000 1.365 34 M HN -0.396 7.900 8.290 0.010 0.000 0.406 35 R N -1.342 119.204 120.500 0.076 0.000 2.055 35 R HA -0.292 nan 4.340 nan 0.000 0.228 35 R C 2.217 178.523 176.300 0.011 0.000 1.143 35 R CA 3.708 59.838 56.100 0.049 0.000 0.945 35 R CB -0.202 30.105 30.300 0.011 0.000 0.841 35 R HN -0.433 7.767 8.270 0.039 0.093 0.429 36 E N -0.548 119.637 120.200 -0.025 0.000 2.401 36 E HA -0.269 nan 4.350 nan 0.000 0.199 36 E C 1.518 178.051 176.600 -0.111 0.000 1.023 36 E CA 2.394 58.762 56.400 -0.054 0.000 0.859 36 E CB -0.594 29.074 29.700 -0.053 0.000 0.780 36 E HN -0.345 8.001 8.360 -0.023 0.000 0.523 37 M N -2.409 117.089 119.600 -0.171 0.000 2.514 37 M HA -0.050 nan 4.480 nan 0.000 0.258 37 M C -0.071 175.825 176.300 -0.674 0.000 1.159 37 M CA 2.079 57.107 55.300 -0.453 0.000 1.116 37 M CB 1.984 34.222 32.600 -0.603 0.000 1.333 37 M HN -0.133 7.935 8.290 -0.094 0.166 0.487 38 Y N -5.925 114.377 120.300 0.004 0.000 2.666 38 Y HA 0.209 nan 4.550 nan 0.000 0.260 38 Y C 0.795 176.701 175.900 0.010 0.000 1.089 38 Y CA -0.474 57.634 58.100 0.012 0.000 1.246 38 Y CB 1.163 39.636 38.460 0.021 0.000 1.353 38 Y HN -0.268 7.911 8.280 0.024 0.116 0.558 39 S N 2.424 118.192 115.700 0.114 0.000 2.370 39 S HA -0.393 nan 4.470 nan 0.000 0.226 39 S C 1.765 176.398 174.600 0.054 0.000 1.033 39 S CA 4.111 62.353 58.200 0.070 0.000 1.011 39 S CB -0.458 62.763 63.200 0.034 0.000 0.852 39 S HN 0.455 8.708 8.310 0.076 0.103 0.457 40 A N 1.779 124.621 122.820 0.038 0.000 1.873 40 A HA -0.243 nan 4.320 nan 0.000 0.215 40 A C 1.623 179.234 177.584 0.046 0.000 1.186 40 A CA 2.994 55.048 52.037 0.029 0.000 0.616 40 A CB -0.844 18.162 19.000 0.009 0.000 0.823 40 A HN 0.488 8.652 8.150 0.025 0.000 0.442 41 S N -1.794 113.947 115.700 0.068 0.000 2.453 41 S HA -0.212 nan 4.470 nan 0.000 0.231 41 S C 0.561 175.223 174.600 0.103 0.000 1.005 41 S CA 0.486 58.739 58.200 0.088 0.000 0.949 41 S CB 0.103 63.377 63.200 0.123 0.000 0.774 41 S HN -0.459 7.891 8.310 0.067 0.000 0.510 42 K N 0.694 121.161 120.400 0.111 0.000 4.007 42 K HA -0.223 nan 4.320 nan 0.000 0.279 42 K C -0.937 175.733 176.600 0.116 0.000 0.919 42 K CA 0.022 56.368 56.287 0.098 0.000 0.800 42 K CB -1.217 31.326 32.500 0.071 0.000 1.572 42 K HN -0.118 8.062 8.250 0.114 0.138 0.443 43 P HA -0.137 nan 4.420 nan 0.000 0.221 43 P C -0.438 177.005 177.300 0.238 0.000 1.150 43 P CA 2.165 65.341 63.100 0.126 0.000 0.800 43 P CB 0.270 31.986 31.700 0.027 0.000 0.787 44 L N -3.096 118.212 121.223 0.142 0.000 2.653 44 L HA 0.133 nan 4.340 nan 0.000 0.232 44 L C -0.676 176.186 176.870 -0.013 0.000 1.169 44 L CA -1.279 53.572 54.840 0.018 0.000 0.951 44 L CB -0.891 41.081 42.059 -0.144 0.000 1.181 44 L HN -0.282 7.963 8.230 0.075 0.029 0.460 45 K N 0.610 121.114 120.400 0.173 0.000 2.430 45 K HA -0.356 nan 4.320 nan 0.000 0.280 45 K C 0.898 177.643 176.600 0.242 0.000 1.063 45 K CA 1.650 58.021 56.287 0.141 0.000 1.071 45 K CB -0.209 32.374 32.500 0.138 0.000 0.899 45 K HN -0.787 7.491 8.250 0.211 0.099 0.473 46 G N 6.048 114.886 108.800 0.064 0.000 2.232 46 G HA2 -0.379 nan 3.960 nan 0.000 0.226 46 G HA3 -0.379 nan 3.960 nan 0.000 0.226 46 G C -1.177 173.545 174.900 -0.296 0.000 0.996 46 G CA -0.446 44.715 45.100 0.101 0.000 0.626 46 G HN 0.041 8.316 8.290 -0.024 0.000 0.509 47 A N 1.678 123.973 122.820 -0.875 0.000 2.371 47 A HA -0.012 nan 4.320 nan 0.000 0.257 47 A C -1.060 176.104 177.584 -0.700 0.000 1.089 47 A CA -0.110 51.127 52.037 -1.334 0.000 0.794 47 A CB 1.005 19.028 19.000 -1.628 0.000 1.029 47 A HN -0.323 7.346 8.150 -0.690 0.067 0.488 48 R N 1.740 121.804 120.500 -0.727 0.000 2.363 48 R HA 0.512 nan 4.340 nan 0.000 0.297 48 R C -1.034 174.899 176.300 -0.611 0.000 1.208 48 R CA -1.487 54.051 56.100 -0.938 0.000 1.121 48 R CB 0.683 30.008 30.300 -1.625 0.000 1.124 48 R HN 0.752 9.004 8.270 -0.747 -0.430 0.561 49 I N 4.237 124.699 120.570 -0.180 0.000 2.371 49 I HA 0.238 nan 4.170 nan 0.000 0.290 49 I C -1.854 174.383 176.117 0.200 0.000 1.028 49 I CA -0.429 60.861 61.300 -0.017 0.000 1.345 49 I CB 0.919 38.914 38.000 -0.008 0.000 1.407 49 I HN 0.970 9.015 8.210 -0.125 0.090 0.501 50 A N 8.168 131.027 122.820 0.064 0.000 2.249 50 A HA 0.765 nan 4.320 nan 0.000 0.314 50 A C -1.585 175.831 177.584 -0.281 0.000 1.290 50 A CA -1.751 50.264 52.037 -0.037 0.000 0.893 50 A CB 1.210 20.160 19.000 -0.084 0.000 1.165 50 A HN 0.600 8.732 8.150 -0.029 0.000 0.530 51 G N 1.273 109.741 108.800 -0.553 0.000 2.415 51 G HA2 0.605 nan 3.960 nan 0.000 0.327 51 G HA3 0.605 nan 3.960 nan 0.000 0.327 51 G C -2.676 171.359 174.900 -1.442 0.000 1.182 51 G CA -1.544 42.720 45.100 -1.394 0.000 0.924 51 G HN 0.462 8.533 8.290 -0.365 0.000 0.470 52 C N 6.589 125.256 119.300 -1.054 0.000 2.455 52 C HA 0.842 nan 4.460 nan 0.000 0.321 52 C C -2.263 172.412 174.990 -0.524 0.000 1.102 52 C CA -1.283 57.331 59.018 -0.675 0.000 1.413 52 C CB -0.255 27.245 27.740 -0.399 0.000 1.952 52 C HN 0.470 8.171 8.230 -0.882 0.000 0.428 53 L N 6.301 127.275 121.223 -0.415 0.000 2.643 53 L HA 0.403 nan 4.340 nan 0.000 0.257 53 L C -1.980 174.954 176.870 0.105 0.000 0.922 53 L CA -0.365 54.391 54.840 -0.139 0.000 0.909 53 L CB 4.481 46.591 42.059 0.084 0.000 1.424 53 L HN 0.833 8.768 8.230 -0.491 0.000 0.422 54 H N 4.473 123.642 119.070 0.165 0.000 3.204 54 H HA -0.326 nan 4.556 nan 0.000 0.278 54 H C -0.711 174.729 175.328 0.187 0.000 0.879 54 H CA 1.905 58.041 56.048 0.147 0.000 1.410 54 H CB -0.338 29.506 29.762 0.136 0.000 1.322 54 H HN 0.039 7.868 8.280 -0.752 0.000 0.544 55 M N 6.543 126.294 119.600 0.252 0.000 2.319 55 M HA 0.118 nan 4.480 nan 0.000 0.343 55 M C -1.792 174.556 176.300 0.080 0.000 1.364 55 M CA -1.534 53.857 55.300 0.153 0.000 1.292 55 M CB -0.594 32.088 32.600 0.135 0.000 1.432 55 M HN -0.312 8.108 8.290 0.217 0.000 0.448 56 T N 0.782 115.367 114.554 0.052 0.000 2.858 56 T HA 0.548 nan 4.350 nan 0.000 0.285 56 T C 0.316 174.981 174.700 -0.057 0.000 1.052 56 T CA -1.923 60.194 62.100 0.027 0.000 1.009 56 T CB 3.548 72.484 68.868 0.113 0.000 1.241 56 T HN -0.422 7.847 8.240 0.048 0.000 0.542 57 V N 1.339 121.206 119.914 -0.077 0.000 2.255 57 V HA -0.452 nan 4.120 nan 0.000 0.247 57 V C 1.650 177.724 176.094 -0.033 0.000 1.051 57 V CA 5.232 67.459 62.300 -0.121 0.000 1.018 57 V CB -0.740 31.029 31.823 -0.090 0.000 0.641 57 V HN 0.686 9.239 8.190 -0.042 -0.389 0.445 58 E N -2.885 117.361 120.200 0.077 0.000 2.153 58 E HA -0.336 nan 4.350 nan 0.000 0.194 58 E C 2.689 179.461 176.600 0.287 0.000 0.988 58 E CA 3.357 59.881 56.400 0.207 0.000 0.811 58 E CB -0.658 29.203 29.700 0.269 0.000 0.746 58 E HN 0.452 8.862 8.360 0.084 0.000 0.466 59 T N 2.381 117.010 114.554 0.124 0.000 2.985 59 T HA -0.060 nan 4.350 nan 0.000 0.266 59 T C 1.414 175.860 174.700 -0.423 0.000 1.076 59 T CA 4.134 66.067 62.100 -0.278 0.000 1.135 59 T CB -0.613 68.138 68.868 -0.196 0.000 0.890 59 T HN -0.363 7.847 8.240 0.129 0.108 0.480 60 A N 1.609 124.253 122.820 -0.292 0.000 1.898 60 A HA -0.180 nan 4.320 nan 0.000 0.216 60 A C 1.471 178.890 177.584 -0.275 0.000 1.181 60 A CA 3.370 55.206 52.037 -0.334 0.000 0.620 60 A CB -0.884 17.959 19.000 -0.261 0.000 0.819 60 A HN 0.191 8.114 8.150 -0.185 0.117 0.442 61 V N -0.441 119.373 119.914 -0.167 0.000 2.332 61 V HA -0.428 nan 4.120 nan 0.000 0.248 61 V C 1.896 177.906 176.094 -0.140 0.000 1.055 61 V CA 3.878 66.113 62.300 -0.109 0.000 1.038 61 V CB -1.220 30.587 31.823 -0.026 0.000 0.651 61 V HN -0.240 7.877 8.190 -0.122 0.000 0.450 62 L N -0.258 120.855 121.223 -0.183 0.000 1.970 62 L HA -0.357 nan 4.340 nan 0.000 0.212 62 L C 1.466 178.139 176.870 -0.328 0.000 1.071 62 L CA 3.159 57.853 54.840 -0.243 0.000 0.751 62 L CB -0.426 41.347 42.059 -0.477 0.000 0.889 62 L HN -0.724 7.336 8.230 -0.163 0.072 0.432 63 I N -1.473 118.774 120.570 -0.537 0.000 2.145 63 I HA -0.738 nan 4.170 nan 0.000 0.244 63 I C 2.056 178.000 176.117 -0.289 0.000 1.075 63 I CA 4.488 65.455 61.300 -0.554 0.000 1.332 63 I CB -0.475 37.078 38.000 -0.744 0.000 1.033 63 I HN 0.087 7.916 8.210 -0.635 0.000 0.410 64 E N -2.226 117.833 120.200 -0.235 0.000 2.204 64 E HA -0.381 nan 4.350 nan 0.000 0.195 64 E C 2.727 179.266 176.600 -0.102 0.000 0.990 64 E CA 3.313 59.626 56.400 -0.146 0.000 0.821 64 E CB -0.489 29.136 29.700 -0.125 0.000 0.750 64 E HN 0.006 8.206 8.360 -0.266 0.000 0.477 65 T N 3.019 117.511 114.554 -0.104 0.000 2.770 65 T HA -0.200 nan 4.350 nan 0.000 0.263 65 T C 1.967 176.636 174.700 -0.051 0.000 1.039 65 T CA 4.300 66.365 62.100 -0.058 0.000 1.142 65 T CB -0.514 68.326 68.868 -0.045 0.000 0.868 65 T HN -0.223 7.799 8.240 -0.137 0.135 0.435 66 L N 0.195 121.371 121.223 -0.078 0.000 2.042 66 L HA -0.410 nan 4.340 nan 0.000 0.210 66 L C 1.827 178.664 176.870 -0.054 0.000 1.076 66 L CA 3.412 58.215 54.840 -0.062 0.000 0.749 66 L CB -0.421 41.602 42.059 -0.059 0.000 0.893 66 L HN -0.208 7.953 8.230 -0.116 0.000 0.432 67 V N -1.547 118.330 119.914 -0.061 0.000 2.358 67 V HA -0.400 nan 4.120 nan 0.000 0.246 67 V C 2.221 178.298 176.094 -0.027 0.000 1.047 67 V CA 4.151 66.425 62.300 -0.043 0.000 1.035 67 V CB -0.928 30.863 31.823 -0.053 0.000 0.658 67 V HN 0.202 8.339 8.190 -0.087 0.000 0.452 68 A N -1.466 121.338 122.820 -0.026 0.000 2.216 68 A HA -0.094 nan 4.320 nan 0.000 0.214 68 A C 0.263 177.856 177.584 0.015 0.000 1.160 68 A CA 2.538 54.571 52.037 -0.007 0.000 0.725 68 A CB -0.295 18.700 19.000 -0.008 0.000 0.784 68 A HN 0.124 8.058 8.150 -0.040 0.192 0.472 69 L N -5.097 116.132 121.223 0.011 0.000 2.769 69 L HA 0.126 nan 4.340 nan 0.000 0.240 69 L C -0.269 176.614 176.870 0.021 0.000 1.163 69 L CA -1.725 53.135 54.840 0.033 0.000 0.962 69 L CB -0.767 41.306 42.059 0.024 0.000 1.258 69 L HN -0.756 7.280 8.230 -0.009 0.189 0.513 70 G N -2.552 106.251 108.800 0.005 0.000 2.157 70 G HA2 -0.426 nan 3.960 nan 0.000 0.239 70 G HA3 -0.426 nan 3.960 nan 0.000 0.239 70 G C -1.451 173.421 174.900 -0.046 0.000 0.982 70 G CA 0.272 45.372 45.100 0.001 0.000 0.650 70 G HN -0.412 7.809 8.290 0.001 0.070 0.527 71 A N 0.006 122.781 122.820 -0.075 0.000 2.286 71 A HA 0.350 nan 4.320 nan 0.000 0.286 71 A C -0.863 176.684 177.584 -0.061 0.000 1.097 71 A CA -1.012 50.946 52.037 -0.132 0.000 0.821 71 A CB 1.259 20.175 19.000 -0.140 0.000 1.076 71 A HN -0.619 7.458 8.150 -0.054 0.041 0.490 72 E N -0.003 120.161 120.200 -0.059 0.000 2.179 72 E HA 0.240 nan 4.350 nan 0.000 0.275 72 E C -1.918 174.815 176.600 0.222 0.000 0.945 72 E CA -1.023 55.431 56.400 0.091 0.000 0.792 72 E CB 2.797 32.560 29.700 0.106 0.000 1.125 72 E HN 0.078 8.236 8.360 -0.165 0.104 0.397 73 V N 2.311 122.375 119.914 0.250 0.000 2.808 73 V HA 0.561 nan 4.120 nan 0.000 0.308 73 V C -1.229 174.969 176.094 0.172 0.000 1.099 73 V CA -1.369 61.090 62.300 0.265 0.000 0.920 73 V CB 2.709 34.645 31.823 0.187 0.000 1.014 73 V HN 0.180 8.479 8.190 0.180 0.000 0.425 74 R N 2.612 123.192 120.500 0.134 0.000 2.637 74 R HA 0.724 nan 4.340 nan 0.000 0.291 74 R C -2.143 174.284 176.300 0.211 0.000 0.963 74 R CA -1.223 54.900 56.100 0.038 0.000 0.901 74 R CB 3.429 33.561 30.300 -0.280 0.000 1.160 74 R HN 0.630 9.034 8.270 0.222 0.000 0.457 75 W N 2.240 123.543 121.300 0.005 0.000 3.029 75 W HA 0.611 nan 4.660 nan 0.000 0.339 75 W C -2.380 174.164 176.519 0.042 0.000 1.198 75 W CA -1.357 55.980 57.345 -0.014 0.000 1.148 75 W CB 4.951 34.377 29.460 -0.056 0.000 1.451 75 W HN 0.904 9.276 8.180 0.320 0.000 0.564 76 S N -1.484 114.181 115.700 -0.059 0.000 2.567 76 S HA 0.356 nan 4.470 nan 0.000 0.270 76 S C -1.883 172.697 174.600 -0.034 0.000 1.152 76 S CA -0.628 57.581 58.200 0.016 0.000 0.835 76 S CB 2.938 66.085 63.200 -0.087 0.000 1.115 76 S HN 0.088 8.018 8.310 -0.633 0.000 0.459 77 S N 1.242 116.983 115.700 0.069 0.000 2.640 77 S HA 0.341 nan 4.470 nan 0.000 0.262 77 S C 0.134 174.770 174.600 0.059 0.000 1.232 77 S CA -0.007 58.230 58.200 0.062 0.000 0.988 77 S CB 1.071 64.294 63.200 0.038 0.000 1.034 77 S HN 0.416 8.769 8.310 0.072 0.000 0.569 78 C N -3.766 115.489 119.300 -0.075 0.000 3.486 78 C HA 0.384 nan 4.460 nan 0.000 0.264 78 C C -1.922 172.962 174.990 -0.177 0.000 1.756 78 C CA -2.213 56.758 59.018 -0.079 0.000 1.764 78 C CB 1.248 28.806 27.740 -0.302 0.000 3.238 78 C HN 0.693 8.856 8.230 -0.111 0.000 0.524 79 N N -0.757 117.806 118.700 -0.228 0.000 2.516 79 N HA 0.065 nan 4.740 nan 0.000 0.268 79 N C -0.539 174.772 175.510 -0.331 0.000 1.096 79 N CA -0.008 52.912 53.050 -0.217 0.000 0.954 79 N CB 3.685 42.257 38.487 0.143 0.000 1.676 79 N HN -0.660 7.541 8.380 -0.187 0.067 0.490 80 I N -4.217 116.074 120.570 -0.465 0.000 2.493 80 I HA -0.235 nan 4.170 nan 0.000 0.254 80 I C 0.165 175.950 176.117 -0.554 0.000 1.160 80 I CA 2.244 63.189 61.300 -0.593 0.000 1.445 80 I CB -0.151 37.408 38.000 -0.734 0.000 1.086 80 I HN 0.359 8.313 8.210 -0.426 0.000 0.433 81 F N -1.166 118.727 119.950 -0.095 0.000 2.500 81 F HA 0.010 nan 4.527 nan 0.000 0.285 81 F C 0.984 176.785 175.800 0.000 0.000 1.088 81 F CA 2.034 60.016 58.000 -0.029 0.000 1.432 81 F CB 0.534 39.527 39.000 -0.012 0.000 1.131 81 F HN 0.036 8.678 8.300 0.080 -0.294 0.582 82 S N -1.799 114.017 115.700 0.194 0.000 2.421 82 S HA -0.349 nan 4.470 nan 0.000 0.239 82 S C 0.813 175.490 174.600 0.128 0.000 1.054 82 S CA 2.432 60.710 58.200 0.130 0.000 1.035 82 S CB -0.372 62.919 63.200 0.152 0.000 0.840 82 S HN -0.240 8.580 8.310 0.200 -0.390 0.475 83 T N 2.920 117.543 114.554 0.116 0.000 2.793 83 T HA -0.076 nan 4.350 nan 0.000 0.289 83 T C -0.298 174.466 174.700 0.106 0.000 0.956 83 T CA 0.240 62.401 62.100 0.103 0.000 1.177 83 T CB -0.150 68.757 68.868 0.067 0.000 0.897 83 T HN -0.310 7.921 8.240 0.089 0.062 0.533 84 Q N 9.057 128.913 119.800 0.094 0.000 2.337 84 Q HA 0.068 nan 4.340 nan 0.000 0.255 84 Q C 0.898 176.959 176.000 0.102 0.000 0.997 84 Q CA -0.764 55.108 55.803 0.116 0.000 0.925 84 Q CB 0.633 29.447 28.738 0.126 0.000 1.212 84 Q HN 0.692 8.912 8.270 0.079 0.097 0.436 85 D N 7.683 128.161 120.400 0.129 0.000 2.158 85 D HA -0.404 nan 4.640 nan 0.000 0.197 85 D C 1.516 177.844 176.300 0.047 0.000 0.995 85 D CA 4.381 58.445 54.000 0.108 0.000 0.846 85 D CB -0.167 40.717 40.800 0.141 0.000 0.941 85 D HN 0.724 9.176 8.370 0.136 0.000 0.456 86 H N -2.747 116.157 119.070 -0.276 0.000 2.457 86 H HA -0.110 nan 4.556 nan 0.000 0.294 86 H C 1.357 176.485 175.328 -0.333 0.000 1.064 86 H CA 2.378 58.172 56.048 -0.423 0.000 1.330 86 H CB -1.297 27.777 29.762 -1.147 0.000 1.395 86 H HN 0.193 8.589 8.280 0.192 0.000 0.541 87 A N -0.551 121.908 122.820 -0.602 0.000 1.898 87 A HA -0.221 nan 4.320 nan 0.000 0.214 87 A C 1.625 179.044 177.584 -0.275 0.000 1.183 87 A CA 2.487 54.212 52.037 -0.520 0.000 0.622 87 A CB -0.674 18.065 19.000 -0.435 0.000 0.824 87 A HN -0.295 7.496 8.150 -0.367 0.139 0.444 88 A N -1.661 121.061 122.820 -0.164 0.000 1.877 88 A HA -0.331 nan 4.320 nan 0.000 0.216 88 A C 1.778 179.269 177.584 -0.156 0.000 1.186 88 A CA 2.888 54.860 52.037 -0.108 0.000 0.620 88 A CB -0.678 18.322 19.000 -0.000 0.000 0.822 88 A HN -0.212 7.863 8.150 -0.126 0.000 0.443 89 A N -2.310 120.427 122.820 -0.138 0.000 1.892 89 A HA -0.367 nan 4.320 nan 0.000 0.218 89 A C 1.901 179.368 177.584 -0.195 0.000 1.188 89 A CA 3.077 55.016 52.037 -0.163 0.000 0.631 89 A CB -0.758 18.197 19.000 -0.075 0.000 0.822 89 A HN 0.404 8.384 8.150 -0.100 0.109 0.447 90 A N -2.706 120.006 122.820 -0.179 0.000 1.969 90 A HA -0.218 nan 4.320 nan 0.000 0.218 90 A C 2.169 179.648 177.584 -0.175 0.000 1.169 90 A CA 2.903 54.843 52.037 -0.162 0.000 0.635 90 A CB -0.712 18.187 19.000 -0.168 0.000 0.810 90 A HN -0.423 7.610 8.150 -0.196 0.000 0.445 91 I N -1.137 119.311 120.570 -0.203 0.000 2.286 91 I HA -0.367 nan 4.170 nan 0.000 0.245 91 I C 1.785 177.783 176.117 -0.197 0.000 1.104 91 I CA 1.497 62.678 61.300 -0.198 0.000 1.397 91 I CB -1.083 36.785 38.000 -0.220 0.000 1.072 91 I HN -0.809 7.155 8.210 -0.213 0.118 0.417 92 A N -0.999 121.653 122.820 -0.279 0.000 1.898 92 A HA -0.283 nan 4.320 nan 0.000 0.216 92 A C 2.387 179.775 177.584 -0.326 0.000 1.181 92 A CA 3.309 55.093 52.037 -0.421 0.000 0.620 92 A CB -0.792 17.657 19.000 -0.918 0.000 0.819 92 A HN 0.131 8.110 8.150 -0.285 0.000 0.442 93 K N 0.123 120.360 120.400 -0.272 0.000 2.147 93 K HA -0.249 nan 4.320 nan 0.000 0.205 93 K C 1.098 177.650 176.600 -0.080 0.000 1.049 93 K CA 2.390 58.589 56.287 -0.147 0.000 0.936 93 K CB 0.021 32.453 32.500 -0.113 0.000 0.722 93 K HN 0.199 8.166 8.250 -0.289 0.109 0.446 94 A N -3.828 118.937 122.820 -0.092 0.000 2.206 94 A HA 0.012 nan 4.320 nan 0.000 0.211 94 A C -0.022 177.541 177.584 -0.034 0.000 1.158 94 A CA 0.264 52.264 52.037 -0.061 0.000 0.761 94 A CB 0.336 19.289 19.000 -0.078 0.000 0.801 94 A HN -0.375 7.573 8.150 -0.126 0.126 0.473 95 G N -2.760 106.026 108.800 -0.023 0.000 2.144 95 G HA2 -0.333 nan 3.960 nan 0.000 0.218 95 G HA3 -0.333 nan 3.960 nan 0.000 0.218 95 G C -0.484 174.425 174.900 0.016 0.000 0.988 95 G CA -0.122 44.990 45.100 0.020 0.000 0.659 95 G HN -0.271 7.787 8.290 -0.047 0.205 0.522 96 I N 1.250 121.807 120.570 -0.022 0.000 2.353 96 I HA 0.246 nan 4.170 nan 0.000 0.293 96 I C -2.125 173.978 176.117 -0.023 0.000 0.992 96 I CA -3.159 58.126 61.300 -0.024 0.000 1.268 96 I CB 1.364 39.325 38.000 -0.065 0.000 1.387 96 I HN -0.406 7.770 8.210 -0.056 0.000 0.478 97 P HA 0.053 nan 4.420 nan 0.000 0.268 97 P C -1.788 175.417 177.300 -0.159 0.000 1.485 97 P CA -0.206 62.861 63.100 -0.055 0.000 1.102 97 P CB -1.481 30.280 31.700 0.102 0.000 1.501 98 V N -1.346 118.379 119.914 -0.314 0.000 2.417 98 V HA 0.733 nan 4.120 nan 0.000 0.291 98 V C -1.305 174.532 176.094 -0.428 0.000 1.024 98 V CA -2.652 59.533 62.300 -0.192 0.000 0.861 98 V CB 1.650 33.439 31.823 -0.057 0.000 0.985 98 V HN -0.461 7.567 8.190 -0.270 0.000 0.436 99 F N 6.236 126.282 119.950 0.161 0.000 2.319 99 F HA 0.628 nan 4.527 nan 0.000 0.356 99 F C -1.636 174.290 175.800 0.210 0.000 1.100 99 F CA -1.598 56.548 58.000 0.245 0.000 1.220 99 F CB -0.559 38.417 39.000 -0.039 0.000 1.506 99 F HN 0.497 8.961 8.300 0.273 0.000 0.512 100 A N 1.979 125.027 122.820 0.380 0.000 2.577 100 A HA 0.598 nan 4.320 nan 0.000 0.297 100 A C -2.946 174.848 177.584 0.350 0.000 1.060 100 A CA 0.145 52.256 52.037 0.123 0.000 0.697 100 A CB 3.000 22.057 19.000 0.095 0.000 1.281 100 A HN 0.229 8.658 8.150 0.466 0.000 0.402 101 W N -2.105 119.265 121.300 0.116 0.000 3.248 101 W HA 0.254 nan 4.660 nan 0.000 0.311 101 W C -2.563 173.986 176.519 0.049 0.000 1.258 101 W CA -1.530 55.862 57.345 0.079 0.000 1.191 101 W CB 2.116 31.625 29.460 0.082 0.000 1.389 101 W HN 0.192 8.259 8.180 -0.640 -0.271 0.561 102 K N 1.826 122.334 120.400 0.179 0.000 2.412 102 K HA -0.333 nan 4.320 nan 0.000 0.281 102 K C 0.781 177.426 176.600 0.076 0.000 1.027 102 K CA 0.680 57.022 56.287 0.092 0.000 0.989 102 K CB -0.292 32.307 32.500 0.166 0.000 0.935 102 K HN -0.278 8.542 8.250 0.256 -0.417 0.475 103 G N 6.456 115.153 108.800 -0.172 0.000 2.204 103 G HA2 -0.439 nan 3.960 nan 0.000 0.244 103 G HA3 -0.439 nan 3.960 nan 0.000 0.244 103 G C -0.871 173.907 174.900 -0.203 0.000 1.062 103 G CA -0.228 44.711 45.100 -0.268 0.000 0.798 103 G HN 0.606 8.606 8.290 -0.314 0.102 0.496 104 E N -0.044 119.941 120.200 -0.359 0.000 2.373 104 E HA 0.013 nan 4.350 nan 0.000 0.263 104 E C -0.120 176.385 176.600 -0.159 0.000 1.073 104 E CA -0.286 55.989 56.400 -0.208 0.000 0.894 104 E CB 0.822 30.237 29.700 -0.475 0.000 1.008 104 E HN -0.659 7.388 8.360 -0.522 0.000 0.420 105 T N -1.187 113.372 114.554 0.007 0.000 2.904 105 T HA 0.174 nan 4.350 nan 0.000 0.290 105 T C 1.042 175.754 174.700 0.021 0.000 1.018 105 T CA -1.219 60.887 62.100 0.010 0.000 1.075 105 T CB 1.525 70.429 68.868 0.060 0.000 0.986 105 T HN -0.121 8.444 8.240 0.117 -0.256 0.523 106 D N 3.132 123.545 120.400 0.022 0.000 2.203 106 D HA -0.429 nan 4.640 nan 0.000 0.199 106 D C 1.721 178.096 176.300 0.125 0.000 0.997 106 D CA 4.139 58.180 54.000 0.069 0.000 0.863 106 D CB -0.304 40.532 40.800 0.059 0.000 0.928 106 D HN 0.517 8.894 8.370 0.011 0.000 0.458 107 E N -1.432 118.828 120.200 0.101 0.000 2.072 107 E HA -0.248 nan 4.350 nan 0.000 0.190 107 E C 2.343 179.042 176.600 0.165 0.000 0.982 107 E CA 2.935 59.401 56.400 0.109 0.000 0.803 107 E CB -0.450 29.294 29.700 0.074 0.000 0.755 107 E HN 0.305 8.679 8.360 0.078 0.033 0.453 108 E N 0.414 120.725 120.200 0.184 0.000 2.204 108 E HA -0.303 nan 4.350 nan 0.000 0.194 108 E C 2.266 179.070 176.600 0.340 0.000 0.989 108 E CA 2.572 59.151 56.400 0.298 0.000 0.824 108 E CB -0.168 29.752 29.700 0.367 0.000 0.756 108 E HN -0.576 7.786 8.360 0.146 0.086 0.477 109 Y N 1.279 121.603 120.300 0.040 0.000 2.114 109 Y HA -0.368 nan 4.550 nan 0.000 0.284 109 Y C 1.210 177.115 175.900 0.008 0.000 1.143 109 Y CA 2.555 60.629 58.100 -0.044 0.000 1.135 109 Y CB -0.107 38.298 38.460 -0.091 0.000 0.980 109 Y HN -0.451 7.951 8.280 0.248 0.027 0.499 110 L N -1.753 119.425 121.223 -0.075 0.000 2.012 110 L HA -0.528 nan 4.340 nan 0.000 0.210 110 L C 1.560 178.387 176.870 -0.072 0.000 1.073 110 L CA 3.168 57.909 54.840 -0.165 0.000 0.748 110 L CB -0.308 41.741 42.059 -0.017 0.000 0.891 110 L HN -0.787 7.507 8.230 0.106 0.000 0.431 111 W N -0.845 120.406 121.300 -0.082 0.000 2.317 111 W HA -0.494 nan 4.660 nan 0.000 0.318 111 W C 1.511 177.970 176.519 -0.101 0.000 1.227 111 W CA 4.265 61.579 57.345 -0.052 0.000 1.269 111 W CB -0.418 29.065 29.460 0.038 0.000 1.155 111 W HN -0.606 7.749 8.180 0.293 0.000 0.484 112 C N -1.258 118.005 119.300 -0.062 0.000 2.398 112 C HA -0.536 nan 4.460 nan 0.000 0.276 112 C C 2.429 177.145 174.990 -0.458 0.000 1.222 112 C CA 4.857 63.692 59.018 -0.305 0.000 1.746 112 C CB -1.587 26.158 27.740 0.008 0.000 2.039 112 C HN 0.033 8.464 8.230 0.334 0.000 0.470 113 I N -0.904 119.413 120.570 -0.421 0.000 2.179 113 I HA -0.607 nan 4.170 nan 0.000 0.242 113 I C 2.229 178.077 176.117 -0.449 0.000 1.088 113 I CA 4.040 65.083 61.300 -0.429 0.000 1.357 113 I CB -0.139 37.591 38.000 -0.450 0.000 1.051 113 I HN -0.176 7.713 8.210 -0.407 0.077 0.409 114 E N -0.746 119.189 120.200 -0.440 0.000 2.130 114 E HA -0.427 nan 4.350 nan 0.000 0.196 114 E C 3.007 179.280 176.600 -0.545 0.000 0.998 114 E CA 3.202 59.351 56.400 -0.419 0.000 0.806 114 E CB -0.550 28.974 29.700 -0.293 0.000 0.738 114 E HN -0.134 7.924 8.360 -0.390 0.068 0.459 115 Q N -2.971 116.315 119.800 -0.856 0.000 2.124 115 Q HA -0.181 nan 4.340 nan 0.000 0.202 115 Q C 2.785 178.316 176.000 -0.781 0.000 0.977 115 Q CA 2.235 57.378 55.803 -1.101 0.000 0.850 115 Q CB -0.730 26.619 28.738 -2.316 0.000 0.901 115 Q HN -0.286 7.285 8.270 -0.961 0.122 0.429 116 T N -4.536 109.661 114.554 -0.595 0.000 3.113 116 T HA -0.055 nan 4.350 nan 0.000 0.263 116 T C 0.811 175.278 174.700 -0.388 0.000 1.143 116 T CA 1.987 63.845 62.100 -0.404 0.000 1.090 116 T CB -0.846 67.854 68.868 -0.280 0.000 0.922 116 T HN -0.417 7.355 8.240 -0.594 0.112 0.521 117 L N -2.326 118.640 121.223 -0.429 0.000 2.418 117 L HA -0.009 nan 4.340 nan 0.000 0.218 117 L C -0.271 176.240 176.870 -0.598 0.000 1.125 117 L CA 1.165 55.701 54.840 -0.507 0.000 0.835 117 L CB 0.348 41.971 42.059 -0.728 0.000 0.953 117 L HN -0.835 7.052 8.230 -0.455 0.071 0.454 118 H N -4.229 114.744 119.070 -0.162 0.000 2.589 118 H HA 0.307 nan 4.556 nan 0.000 0.351 118 H C -1.166 174.102 175.328 -0.100 0.000 1.074 118 H CA -0.989 55.057 56.048 -0.004 0.000 1.203 118 H CB 2.448 32.166 29.762 -0.073 0.000 1.558 118 H HN -0.804 7.296 8.280 -0.301 0.000 0.522 119 F N 1.616 121.582 119.950 0.028 0.000 2.541 119 F HA 0.267 nan 4.527 nan 0.000 0.331 119 F C 1.308 177.121 175.800 0.022 0.000 1.057 119 F CA -2.267 55.741 58.000 0.012 0.000 0.975 119 F CB 1.918 40.907 39.000 -0.019 0.000 1.246 119 F HN 0.737 9.300 8.300 0.628 0.114 0.484 120 K N 1.910 122.426 120.400 0.194 0.000 2.074 120 K HA -0.332 nan 4.320 nan 0.000 0.209 120 K C 0.655 177.317 176.600 0.104 0.000 1.048 120 K CA 3.045 59.399 56.287 0.113 0.000 0.926 120 K CB -0.262 32.289 32.500 0.085 0.000 0.713 120 K HN 0.644 9.011 8.250 0.195 0.000 0.444 121 D N -6.160 114.310 120.400 0.117 0.000 2.349 121 D HA -0.028 nan 4.640 nan 0.000 0.215 121 D C 0.199 176.535 176.300 0.060 0.000 1.016 121 D CA -0.234 53.808 54.000 0.069 0.000 0.870 121 D CB 0.074 40.900 40.800 0.043 0.000 0.917 121 D HN 0.093 8.546 8.370 0.159 0.012 0.524 122 G N -0.256 108.606 108.800 0.105 0.000 2.359 122 G HA2 -0.042 nan 3.960 nan 0.000 0.293 122 G HA3 -0.042 nan 3.960 nan 0.000 0.293 122 G C -3.015 171.969 174.900 0.140 0.000 1.300 122 G CA -0.589 44.563 45.100 0.087 0.000 0.888 122 G HN -0.601 7.607 8.290 0.176 0.188 0.541 123 P HA 0.384 nan 4.420 nan 0.000 0.276 123 P C -0.628 176.605 177.300 -0.112 0.000 1.261 123 P CA -0.885 62.252 63.100 0.061 0.000 0.800 123 P CB 1.060 32.763 31.700 0.005 0.000 1.066 124 L N -3.439 117.733 121.223 -0.086 0.000 2.485 124 L HA -0.107 nan 4.340 nan 0.000 0.275 124 L C -0.213 176.509 176.870 -0.246 0.000 1.207 124 L CA 0.955 55.648 54.840 -0.245 0.000 0.855 124 L CB 0.032 42.088 42.059 -0.006 0.000 1.114 124 L HN -0.103 8.098 8.230 -0.048 0.000 0.485 125 N N -0.080 118.437 118.700 -0.305 0.000 2.197 125 N HA 0.152 nan 4.740 nan 0.000 0.228 125 N C -1.580 173.853 175.510 -0.129 0.000 1.212 125 N CA -0.802 52.148 53.050 -0.166 0.000 0.883 125 N CB 1.304 39.722 38.487 -0.114 0.000 1.107 125 N HN 0.333 8.439 8.380 -0.456 0.000 0.519 126 M N -0.689 118.808 119.600 -0.171 0.000 2.426 126 M HA 0.439 nan 4.480 nan 0.000 0.289 126 M C -2.758 173.471 176.300 -0.118 0.000 1.168 126 M CA 0.448 55.671 55.300 -0.129 0.000 0.933 126 M CB 4.255 36.734 32.600 -0.200 0.000 1.750 126 M HN -0.767 7.344 8.290 -0.200 0.059 0.494 127 I N 3.001 123.514 120.570 -0.094 0.000 2.474 127 I HA 0.736 nan 4.170 nan 0.000 0.294 127 I C -1.894 174.154 176.117 -0.114 0.000 1.005 127 I CA -1.105 60.127 61.300 -0.113 0.000 1.113 127 I CB 3.076 41.019 38.000 -0.096 0.000 1.289 127 I HN 0.457 8.625 8.210 -0.071 0.000 0.436 128 L N 6.558 127.680 121.223 -0.169 0.000 2.388 128 L HA 0.498 nan 4.340 nan 0.000 0.267 128 L C -2.743 173.981 176.870 -0.243 0.000 0.995 128 L CA -1.163 53.584 54.840 -0.154 0.000 0.864 128 L CB 1.961 43.957 42.059 -0.105 0.000 1.216 128 L HN 0.626 8.719 8.230 -0.228 0.000 0.430 129 D N 6.278 126.580 120.400 -0.162 0.000 2.340 129 D HA 0.635 nan 4.640 nan 0.000 0.240 129 D C -2.603 173.631 176.300 -0.110 0.000 1.001 129 D CA -1.276 52.621 54.000 -0.170 0.000 0.888 129 D CB 4.164 44.882 40.800 -0.136 0.000 1.310 129 D HN 0.659 8.963 8.370 -0.110 0.000 0.474 130 D N 2.166 122.492 120.400 -0.122 0.000 2.346 130 D HA 0.178 nan 4.640 nan 0.000 0.255 130 D C -0.256 175.993 176.300 -0.084 0.000 1.276 130 D CA -1.123 52.833 54.000 -0.073 0.000 0.941 130 D CB 0.745 41.494 40.800 -0.085 0.000 1.199 130 D HN -0.415 7.854 8.370 -0.168 0.000 0.537 131 G N 5.343 114.112 108.800 -0.051 0.000 2.428 131 G HA2 -0.215 nan 3.960 nan 0.000 0.199 131 G HA3 -0.215 nan 3.960 nan 0.000 0.199 131 G C -0.143 174.735 174.900 -0.036 0.000 1.005 131 G CA 0.118 45.197 45.100 -0.036 0.000 0.671 131 G HN 0.367 9.079 8.290 -0.045 -0.449 0.485 132 G N 0.087 108.853 108.800 -0.057 0.000 2.232 132 G HA2 -0.434 nan 3.960 nan 0.000 0.226 132 G HA3 -0.434 nan 3.960 nan 0.000 0.226 132 G C 0.062 174.929 174.900 -0.055 0.000 0.996 132 G CA 0.397 45.462 45.100 -0.057 0.000 0.626 132 G HN -0.325 8.178 8.290 -0.073 -0.257 0.509 133 D N 2.236 122.605 120.400 -0.052 0.000 2.126 133 D HA -0.287 nan 4.640 nan 0.000 0.190 133 D C 1.586 177.825 176.300 -0.102 0.000 1.001 133 D CA 3.553 57.515 54.000 -0.063 0.000 0.841 133 D CB -0.212 40.557 40.800 -0.051 0.000 0.949 133 D HN 0.161 8.425 8.370 -0.041 0.081 0.446 134 L N -1.919 119.222 121.223 -0.135 0.000 2.017 134 L HA -0.301 nan 4.340 nan 0.000 0.208 134 L C 1.605 178.432 176.870 -0.072 0.000 1.073 134 L CA 2.919 57.670 54.840 -0.149 0.000 0.745 134 L CB 0.074 42.013 42.059 -0.200 0.000 0.894 134 L HN -0.665 7.732 8.230 -0.144 -0.253 0.432 135 T N -2.527 112.002 114.554 -0.041 0.000 2.833 135 T HA -0.365 nan 4.350 nan 0.000 0.269 135 T C 2.183 176.957 174.700 0.123 0.000 1.054 135 T CA 4.262 66.397 62.100 0.057 0.000 1.135 135 T CB -0.855 68.018 68.868 0.009 0.000 0.869 135 T HN 0.237 8.788 8.240 -0.070 -0.353 0.466 136 N N 2.879 121.591 118.700 0.019 0.000 2.171 136 N HA -0.161 nan 4.740 nan 0.000 0.184 136 N C 1.706 177.248 175.510 0.053 0.000 1.021 136 N CA 3.412 56.472 53.050 0.018 0.000 0.854 136 N CB 0.097 38.573 38.487 -0.018 0.000 0.994 136 N HN 0.150 8.310 8.380 -0.019 0.209 0.426 137 L N 1.325 122.561 121.223 0.022 0.000 2.017 137 L HA -0.313 nan 4.340 nan 0.000 0.208 137 L C 1.570 178.506 176.870 0.110 0.000 1.073 137 L CA 3.568 58.430 54.840 0.036 0.000 0.745 137 L CB 0.018 42.067 42.059 -0.017 0.000 0.894 137 L HN 0.171 8.395 8.230 -0.011 0.000 0.432 138 I N -2.185 118.433 120.570 0.080 0.000 2.208 138 I HA -0.553 nan 4.170 nan 0.000 0.245 138 I C 2.457 178.580 176.117 0.010 0.000 1.097 138 I CA 3.423 64.754 61.300 0.052 0.000 1.363 138 I CB -0.923 37.044 38.000 -0.055 0.000 1.051 138 I HN 0.296 8.528 8.210 0.037 0.000 0.413 139 H N -0.542 118.527 119.070 -0.002 0.000 2.284 139 H HA -0.171 nan 4.556 nan 0.000 0.304 139 H C 2.141 177.455 175.328 -0.024 0.000 1.069 139 H CA 3.911 59.951 56.048 -0.012 0.000 1.327 139 H CB 0.185 29.935 29.762 -0.021 0.000 1.387 139 H HN -0.527 7.798 8.280 0.234 0.095 0.498 140 T N 0.485 115.099 114.554 0.100 0.000 2.674 140 T HA -0.207 nan 4.350 nan 0.000 0.265 140 T C 1.584 176.247 174.700 -0.061 0.000 1.039 140 T CA 3.191 65.302 62.100 0.017 0.000 1.150 140 T CB 0.089 68.959 68.868 0.004 0.000 0.864 140 T HN 0.285 8.600 8.240 0.125 0.000 0.427 141 K N -3.310 117.018 120.400 -0.120 0.000 2.358 141 K HA 0.135 nan 4.320 nan 0.000 0.197 141 K C -0.553 175.604 176.600 -0.738 0.000 1.025 141 K CA -0.061 56.005 56.287 -0.369 0.000 1.104 141 K CB 0.888 33.148 32.500 -0.400 0.000 0.855 141 K HN -0.114 8.003 8.250 -0.049 0.104 0.531 142 H N -1.668 117.378 119.070 -0.039 0.000 3.074 142 H HA 0.372 nan 4.556 nan 0.000 0.227 142 H C -1.648 173.635 175.328 -0.075 0.000 1.365 142 H CA -2.227 53.791 56.048 -0.050 0.000 1.078 142 H CB 0.063 29.786 29.762 -0.065 0.000 2.347 142 H HN -0.551 7.620 8.280 -0.056 0.076 0.567 143 P HA -0.196 nan 4.420 nan 0.000 0.223 143 P C 0.593 177.873 177.300 -0.032 0.000 1.144 143 P CA 2.064 65.135 63.100 -0.048 0.000 0.783 143 P CB 0.111 31.791 31.700 -0.034 0.000 0.771 144 Q N -1.819 117.982 119.800 0.003 0.000 2.124 144 Q HA -0.249 nan 4.340 nan 0.000 0.202 144 Q C 2.491 178.490 176.000 -0.002 0.000 0.977 144 Q CA 3.010 58.819 55.803 0.010 0.000 0.850 144 Q CB -1.201 27.560 28.738 0.039 0.000 0.901 144 Q HN 0.206 8.422 8.270 0.019 0.065 0.429 145 L N -2.504 118.716 121.223 -0.004 0.000 2.217 145 L HA -0.268 nan 4.340 nan 0.000 0.211 145 L C 2.122 178.945 176.870 -0.077 0.000 1.107 145 L CA 1.996 56.812 54.840 -0.040 0.000 0.783 145 L CB -0.656 41.364 42.059 -0.065 0.000 0.919 145 L HN -0.003 8.120 8.230 0.023 0.121 0.442 146 L N -0.456 120.700 121.223 -0.112 0.000 1.991 146 L HA -0.473 nan 4.340 nan 0.000 0.221 146 L C 1.999 178.817 176.870 -0.086 0.000 1.079 146 L CA 3.489 58.235 54.840 -0.157 0.000 0.778 146 L CB -1.184 40.750 42.059 -0.210 0.000 0.893 146 L HN -0.335 7.690 8.230 -0.102 0.144 0.437 147 S N -2.228 113.441 115.700 -0.052 0.000 2.584 147 S HA -0.203 nan 4.470 nan 0.000 0.240 147 S C 1.222 175.811 174.600 -0.018 0.000 0.975 147 S CA 2.349 60.533 58.200 -0.025 0.000 0.949 147 S CB -0.875 62.316 63.200 -0.015 0.000 0.761 147 S HN 0.077 8.357 8.310 -0.051 0.000 0.536 148 G N -0.299 108.483 108.800 -0.030 0.000 2.719 148 G HA2 0.116 nan 3.960 nan 0.000 0.211 148 G HA3 0.116 nan 3.960 nan 0.000 0.211 148 G C -0.866 174.020 174.900 -0.023 0.000 1.140 148 G CA -0.121 44.965 45.100 -0.023 0.000 0.790 148 G HN 0.068 8.117 8.290 -0.045 0.214 0.529 149 I N -0.198 120.349 120.570 -0.038 0.000 2.416 149 I HA -0.181 nan 4.170 nan 0.000 0.288 149 I C -0.501 175.626 176.117 0.017 0.000 1.051 149 I CA 0.475 61.756 61.300 -0.031 0.000 1.375 149 I CB 0.356 38.319 38.000 -0.062 0.000 1.407 149 I HN -0.605 7.462 8.210 -0.052 0.112 0.516 150 R N 7.488 128.027 120.500 0.065 0.000 2.075 150 R HA -0.015 nan 4.340 nan 0.000 0.226 150 R C -0.180 176.173 176.300 0.088 0.000 1.114 150 R CA 1.198 57.363 56.100 0.109 0.000 0.972 150 R CB 0.990 31.428 30.300 0.230 0.000 0.869 150 R HN 0.837 9.026 8.270 0.068 0.123 0.437 151 G N -4.499 104.340 108.800 0.066 0.000 2.677 151 G HA2 0.324 nan 3.960 nan 0.000 0.291 151 G HA3 0.324 nan 3.960 nan 0.000 0.291 151 G C -2.927 171.972 174.900 -0.002 0.000 1.435 151 G CA -0.497 44.623 45.100 0.034 0.000 0.826 151 G HN -0.864 7.459 8.290 0.055 0.000 0.491 152 I N -1.385 119.175 120.570 -0.017 0.000 2.648 152 I HA 0.609 nan 4.170 nan 0.000 0.304 152 I C -1.711 174.373 176.117 -0.056 0.000 1.009 152 I CA -1.934 59.343 61.300 -0.037 0.000 1.114 152 I CB 3.963 41.946 38.000 -0.028 0.000 1.293 152 I HN 0.584 8.786 8.210 -0.014 0.000 0.449 153 S N 2.971 118.636 115.700 -0.059 0.000 2.733 153 S HA 0.435 nan 4.470 nan 0.000 0.294 153 S C -2.505 172.065 174.600 -0.050 0.000 1.149 153 S CA -1.018 57.152 58.200 -0.050 0.000 1.034 153 S CB 1.620 64.800 63.200 -0.032 0.000 1.015 153 S HN 0.079 8.351 8.310 -0.064 0.000 0.486 154 E N 7.035 127.205 120.200 -0.050 0.000 2.238 154 E HA 0.600 nan 4.350 nan 0.000 0.267 154 E C -1.999 174.595 176.600 -0.010 0.000 0.887 154 E CA -2.382 53.989 56.400 -0.048 0.000 0.769 154 E CB 3.896 33.542 29.700 -0.089 0.000 1.187 154 E HN 0.370 8.699 8.360 -0.052 0.000 0.416 155 E N 1.833 122.043 120.200 0.016 0.000 2.759 155 E HA 0.313 nan 4.350 nan 0.000 0.220 155 E C -1.136 175.497 176.600 0.055 0.000 0.974 155 E CA -0.936 55.498 56.400 0.057 0.000 1.148 155 E CB 1.325 31.094 29.700 0.114 0.000 1.059 155 E HN -0.133 8.231 8.360 0.006 0.000 0.493 156 T N -5.133 109.432 114.554 0.017 0.000 2.924 156 T HA 0.439 nan 4.350 nan 0.000 0.291 156 T C 0.924 175.599 174.700 -0.043 0.000 1.045 156 T CA -1.703 60.404 62.100 0.012 0.000 1.015 156 T CB 3.366 72.246 68.868 0.018 0.000 1.103 156 T HN -0.767 7.612 8.240 -0.008 -0.143 0.496 157 T N 3.814 118.330 114.554 -0.063 0.000 2.821 157 T HA -0.197 nan 4.350 nan 0.000 0.267 157 T C 1.371 175.937 174.700 -0.223 0.000 1.046 157 T CA 4.237 66.219 62.100 -0.197 0.000 1.139 157 T CB -0.400 68.377 68.868 -0.152 0.000 0.871 157 T HN 0.519 8.744 8.240 -0.023 0.000 0.454 158 T N 4.957 119.479 114.554 -0.053 0.000 2.674 158 T HA -0.196 nan 4.350 nan 0.000 0.265 158 T C 2.030 176.739 174.700 0.016 0.000 1.039 158 T CA 4.112 66.231 62.100 0.032 0.000 1.150 158 T CB -0.726 68.160 68.868 0.029 0.000 0.864 158 T HN -0.130 8.091 8.240 -0.032 0.000 0.427 159 G N 1.478 110.265 108.800 -0.023 0.000 2.476 159 G HA2 -0.333 nan 3.960 nan 0.000 0.218 159 G HA3 -0.333 nan 3.960 nan 0.000 0.218 159 G C 1.093 175.950 174.900 -0.071 0.000 1.164 159 G CA 2.240 47.314 45.100 -0.043 0.000 0.768 159 G HN -0.010 8.266 8.290 -0.024 0.000 0.560 160 V N 2.670 122.525 119.914 -0.099 0.000 2.358 160 V HA -0.433 nan 4.120 nan 0.000 0.246 160 V C 1.932 178.004 176.094 -0.038 0.000 1.047 160 V CA 4.229 66.435 62.300 -0.157 0.000 1.035 160 V CB -0.837 30.902 31.823 -0.139 0.000 0.658 160 V HN 0.225 8.248 8.190 -0.098 0.108 0.452 161 H N -0.258 118.853 119.070 0.067 0.000 2.387 161 H HA -0.454 nan 4.556 nan 0.000 0.299 161 H C 2.193 177.559 175.328 0.063 0.000 1.099 161 H CA 3.207 59.334 56.048 0.132 0.000 1.315 161 H CB -0.117 29.705 29.762 0.099 0.000 1.380 161 H HN 0.060 8.313 8.280 -0.045 0.000 0.513 162 N N -0.203 118.573 118.700 0.127 0.000 2.069 162 N HA -0.324 nan 4.740 nan 0.000 0.191 162 N C 1.882 177.369 175.510 -0.038 0.000 1.031 162 N CA 2.991 56.059 53.050 0.029 0.000 0.852 162 N CB -0.394 38.087 38.487 -0.010 0.000 1.018 162 N HN -0.059 8.307 8.380 0.113 0.082 0.423 163 L N -0.097 121.056 121.223 -0.118 0.000 1.989 163 L HA -0.491 nan 4.340 nan 0.000 0.211 163 L C 2.161 178.924 176.870 -0.180 0.000 1.071 163 L CA 3.577 58.286 54.840 -0.219 0.000 0.749 163 L CB -0.277 41.566 42.059 -0.361 0.000 0.890 163 L HN -0.377 7.702 8.230 -0.118 0.080 0.431 164 Y N -2.692 117.581 120.300 -0.044 0.000 2.165 164 Y HA -0.494 nan 4.550 nan 0.000 0.286 164 Y C 2.379 178.257 175.900 -0.037 0.000 1.155 164 Y CA 3.183 61.257 58.100 -0.043 0.000 1.164 164 Y CB -0.921 37.535 38.460 -0.008 0.000 0.978 164 Y HN -0.081 8.079 8.280 -0.200 0.000 0.513 165 K N -0.046 120.428 120.400 0.124 0.000 2.025 165 K HA -0.379 nan 4.320 nan 0.000 0.207 165 K C 2.503 179.107 176.600 0.006 0.000 1.049 165 K CA 3.266 59.585 56.287 0.052 0.000 0.933 165 K CB -0.164 32.359 32.500 0.037 0.000 0.714 165 K HN -0.154 8.094 8.250 0.137 0.084 0.438 166 M N -1.033 118.546 119.600 -0.034 0.000 2.086 166 M HA -0.415 nan 4.480 nan 0.000 0.261 166 M C 2.384 178.653 176.300 -0.053 0.000 1.067 166 M CA 3.765 59.019 55.300 -0.076 0.000 1.116 166 M CB 0.096 32.593 32.600 -0.171 0.000 1.348 166 M HN 0.228 8.494 8.290 -0.041 0.000 0.407 167 M N -0.323 119.252 119.600 -0.042 0.000 2.159 167 M HA -0.286 nan 4.480 nan 0.000 0.263 167 M C 2.279 178.584 176.300 0.008 0.000 1.063 167 M CA 2.250 57.540 55.300 -0.017 0.000 1.110 167 M CB -0.707 31.886 32.600 -0.012 0.000 1.374 167 M HN 0.168 8.428 8.290 -0.051 0.000 0.411 168 A N -0.027 122.806 122.820 0.022 0.000 1.972 168 A HA -0.223 nan 4.320 nan 0.000 0.219 168 A C 1.378 178.967 177.584 0.007 0.000 1.169 168 A CA 2.652 54.701 52.037 0.019 0.000 0.635 168 A CB -0.807 18.207 19.000 0.023 0.000 0.810 168 A HN 0.259 8.230 8.150 0.033 0.198 0.446 169 N N -4.895 113.806 118.700 0.001 0.000 2.398 169 N HA 0.026 nan 4.740 nan 0.000 0.188 169 N C 0.254 175.763 175.510 -0.000 0.000 1.122 169 N CA -0.416 52.633 53.050 -0.002 0.000 0.866 169 N CB 0.282 38.764 38.487 -0.008 0.000 0.970 169 N HN -0.551 7.710 8.380 -0.003 0.118 0.462 170 G N -1.716 107.084 108.800 0.001 0.000 2.203 170 G HA2 -0.357 nan 3.960 nan 0.000 0.263 170 G HA3 -0.357 nan 3.960 nan 0.000 0.263 170 G C -0.388 174.519 174.900 0.012 0.000 1.012 170 G CA 1.148 46.253 45.100 0.008 0.000 0.749 170 G HN -0.183 7.886 8.290 0.001 0.221 0.512 171 I N -2.678 117.891 120.570 -0.002 0.000 3.035 171 I HA -0.093 nan 4.170 nan 0.000 0.271 171 I C -0.032 176.095 176.117 0.017 0.000 1.190 171 I CA 0.283 61.588 61.300 0.008 0.000 1.472 171 I CB 0.378 38.362 38.000 -0.026 0.000 1.116 171 I HN -0.091 8.061 8.210 -0.017 0.049 0.443 172 L N 0.554 121.753 121.223 -0.040 0.000 2.462 172 L HA -0.162 nan 4.340 nan 0.000 0.272 172 L C -0.123 176.820 176.870 0.120 0.000 1.166 172 L CA 1.288 56.110 54.840 -0.030 0.000 0.880 172 L CB 0.353 42.368 42.059 -0.073 0.000 1.142 172 L HN -0.803 7.400 8.230 -0.044 0.000 0.473 173 K N 5.267 125.845 120.400 0.295 0.000 2.438 173 K HA 0.115 nan 4.320 nan 0.000 0.206 173 K C -1.721 174.948 176.600 0.115 0.000 1.081 173 K CA -0.354 56.032 56.287 0.164 0.000 1.053 173 K CB 0.902 33.465 32.500 0.104 0.000 0.908 173 K HN -0.052 8.577 8.250 0.632 0.000 0.556 174 V N -0.352 119.651 119.914 0.148 0.000 2.760 174 V HA 0.520 nan 4.120 nan 0.000 0.309 174 V C -2.735 173.414 176.094 0.092 0.000 1.077 174 V CA -3.405 58.952 62.300 0.094 0.000 0.910 174 V CB 2.377 34.234 31.823 0.057 0.000 1.008 174 V HN -0.646 7.670 8.190 0.211 0.000 0.424 175 P HA 0.155 nan 4.420 nan 0.000 0.267 175 P C -2.372 174.969 177.300 0.069 0.000 1.200 175 P CA 0.056 63.244 63.100 0.146 0.000 0.772 175 P CB 0.557 32.382 31.700 0.209 0.000 0.855 176 A N 1.746 124.598 122.820 0.054 0.000 2.469 176 A HA 0.898 nan 4.320 nan 0.000 0.299 176 A C -2.107 175.453 177.584 -0.040 0.000 1.098 176 A CA -1.600 50.414 52.037 -0.038 0.000 0.737 176 A CB 4.170 23.105 19.000 -0.108 0.000 1.312 176 A HN 0.915 9.129 8.150 0.106 0.000 0.414 177 I N -0.830 119.685 120.570 -0.092 0.000 2.436 177 I HA 0.375 nan 4.170 nan 0.000 0.289 177 I C -2.090 173.985 176.117 -0.070 0.000 1.010 177 I CA -1.335 59.913 61.300 -0.086 0.000 1.098 177 I CB 3.173 41.088 38.000 -0.143 0.000 1.266 177 I HN -0.062 8.092 8.210 -0.093 0.000 0.434 178 N N 7.879 126.544 118.700 -0.059 0.000 2.500 178 N HA 0.246 nan 4.740 nan 0.000 0.236 178 N C -0.682 174.886 175.510 0.096 0.000 1.022 178 N CA -0.523 52.504 53.050 -0.039 0.000 0.935 178 N CB 0.378 38.779 38.487 -0.143 0.000 1.147 178 N HN 0.745 8.994 8.380 -0.032 0.111 0.512 179 V N 4.352 124.308 119.914 0.072 0.000 3.608 179 V HA -0.095 nan 4.120 nan 0.000 0.269 179 V C 1.270 177.431 176.094 0.111 0.000 1.245 179 V CA 0.954 63.313 62.300 0.099 0.000 1.138 179 V CB -0.484 31.384 31.823 0.075 0.000 0.841 179 V HN 0.507 8.716 8.190 0.032 0.000 0.451 180 N N 0.860 119.621 118.700 0.102 0.000 2.142 180 N HA -0.254 nan 4.740 nan 0.000 0.186 180 N C 0.303 175.890 175.510 0.128 0.000 1.023 180 N CA 3.295 56.403 53.050 0.097 0.000 0.852 180 N CB 0.312 38.835 38.487 0.060 0.000 0.998 180 N HN 0.043 8.595 8.380 0.079 -0.125 0.424 181 D N -2.314 118.207 120.400 0.201 0.000 2.336 181 D HA 0.123 nan 4.640 nan 0.000 0.228 181 D C -0.191 176.196 176.300 0.145 0.000 1.120 181 D CA -0.089 54.040 54.000 0.214 0.000 0.839 181 D CB 0.136 41.169 40.800 0.389 0.000 0.932 181 D HN -0.625 8.111 8.370 0.241 -0.221 0.509 182 S N 1.213 116.991 115.700 0.130 0.000 2.576 182 S HA 0.027 nan 4.470 nan 0.000 0.276 182 S C 0.743 175.369 174.600 0.043 0.000 1.339 182 S CA 0.465 58.713 58.200 0.079 0.000 1.039 182 S CB 1.428 64.677 63.200 0.081 0.000 0.902 182 S HN -0.697 7.523 8.310 0.139 0.174 0.516 183 V N 3.546 123.454 119.914 -0.009 0.000 2.407 183 V HA -0.266 nan 4.120 nan 0.000 0.248 183 V C 1.099 177.202 176.094 0.016 0.000 1.055 183 V CA 3.904 66.178 62.300 -0.043 0.000 1.049 183 V CB -0.081 31.615 31.823 -0.212 0.000 0.662 183 V HN 0.256 8.661 8.190 -0.024 -0.229 0.455 184 T N -1.028 113.548 114.554 0.037 0.000 2.915 184 T HA -0.269 nan 4.350 nan 0.000 0.269 184 T C 2.080 176.880 174.700 0.168 0.000 1.071 184 T CA 3.717 65.897 62.100 0.134 0.000 1.132 184 T CB -0.990 67.904 68.868 0.043 0.000 0.878 184 T HN -0.353 8.123 8.240 0.000 -0.236 0.479 185 K N 2.744 123.204 120.400 0.100 0.000 2.005 185 K HA -0.172 nan 4.320 nan 0.000 0.206 185 K C 1.801 178.470 176.600 0.115 0.000 1.044 185 K CA 2.258 58.604 56.287 0.099 0.000 0.942 185 K CB -0.363 32.189 32.500 0.087 0.000 0.727 185 K HN -0.312 7.870 8.250 0.076 0.114 0.439 186 S N 0.223 115.973 115.700 0.084 0.000 2.353 186 S HA -0.358 nan 4.470 nan 0.000 0.222 186 S C 2.409 177.016 174.600 0.012 0.000 1.035 186 S CA 3.571 61.801 58.200 0.050 0.000 1.025 186 S CB -0.303 62.917 63.200 0.034 0.000 0.902 186 S HN 0.113 8.470 8.310 0.079 0.000 0.440 187 K N 1.232 121.636 120.400 0.005 0.000 2.063 187 K HA -0.258 nan 4.320 nan 0.000 0.208 187 K C 2.228 178.752 176.600 -0.127 0.000 1.048 187 K CA 2.487 58.699 56.287 -0.125 0.000 0.928 187 K CB -0.578 31.870 32.500 -0.088 0.000 0.713 187 K HN 0.133 8.300 8.250 0.040 0.108 0.442 188 F N -1.312 118.698 119.950 0.100 0.000 2.234 188 F HA -0.259 nan 4.527 nan 0.000 0.296 188 F C 2.440 178.208 175.800 -0.053 0.000 1.089 188 F CA 3.905 61.972 58.000 0.113 0.000 1.343 188 F CB 0.010 39.033 39.000 0.038 0.000 1.040 188 F HN -0.773 7.729 8.300 0.337 0.000 0.498 189 D N -1.492 118.977 120.400 0.115 0.000 2.120 189 D HA -0.190 nan 4.640 nan 0.000 0.202 189 D C 1.916 178.228 176.300 0.020 0.000 0.972 189 D CA 3.111 57.151 54.000 0.067 0.000 0.837 189 D CB 0.233 41.118 40.800 0.142 0.000 0.989 189 D HN -0.006 8.460 8.370 0.160 0.000 0.469 190 N N -1.696 116.998 118.700 -0.010 0.000 2.178 190 N HA -0.073 nan 4.740 nan 0.000 0.189 190 N C 1.823 177.255 175.510 -0.131 0.000 1.048 190 N CA 2.204 55.233 53.050 -0.036 0.000 0.855 190 N CB -0.218 38.240 38.487 -0.047 0.000 1.028 190 N HN 0.144 8.520 8.380 -0.007 0.000 0.441 191 L N 1.336 122.412 121.223 -0.246 0.000 1.925 191 L HA -0.260 nan 4.340 nan 0.000 0.215 191 L C 1.813 178.472 176.870 -0.353 0.000 1.082 191 L CA 2.559 57.166 54.840 -0.388 0.000 0.764 191 L CB -0.809 40.848 42.059 -0.671 0.000 0.887 191 L HN -0.537 7.547 8.230 -0.244 0.000 0.432 192 Y N -3.467 116.661 120.300 -0.286 0.000 2.165 192 Y HA -0.394 nan 4.550 nan 0.000 0.286 192 Y C 2.484 178.241 175.900 -0.238 0.000 1.155 192 Y CA 3.487 61.405 58.100 -0.303 0.000 1.164 192 Y CB -1.177 36.953 38.460 -0.549 0.000 0.978 192 Y HN 0.321 8.198 8.280 -0.671 0.000 0.513 193 G N -1.498 107.176 108.800 -0.210 0.000 2.511 193 G HA2 -0.428 nan 3.960 nan 0.000 0.216 193 G HA3 -0.428 nan 3.960 nan 0.000 0.216 193 G C 1.429 176.201 174.900 -0.213 0.000 1.218 193 G CA 2.035 46.789 45.100 -0.578 0.000 0.788 193 G HN 0.185 8.252 8.290 -0.216 0.094 0.560 194 C N 1.926 121.177 119.300 -0.082 0.000 2.419 194 C HA -0.238 nan 4.460 nan 0.000 0.281 194 C C 2.071 177.081 174.990 0.034 0.000 1.336 194 C CA 2.305 61.375 59.018 0.086 0.000 1.770 194 C CB -2.049 25.734 27.740 0.072 0.000 1.929 194 C HN -0.516 7.618 8.230 -0.160 0.000 0.509 195 R N 0.418 120.917 120.500 -0.002 0.000 2.081 195 R HA -0.350 nan 4.340 nan 0.000 0.235 195 R C 1.927 178.262 176.300 0.060 0.000 1.131 195 R CA 3.642 59.756 56.100 0.022 0.000 0.960 195 R CB -0.245 30.068 30.300 0.023 0.000 0.856 195 R HN -0.384 7.744 8.270 -0.040 0.118 0.436 196 E N -2.341 117.897 120.200 0.064 0.000 2.028 196 E HA -0.225 nan 4.350 nan 0.000 0.191 196 E C 2.534 179.187 176.600 0.088 0.000 0.988 196 E CA 2.612 59.060 56.400 0.080 0.000 0.799 196 E CB -0.029 29.718 29.700 0.078 0.000 0.755 196 E HN -0.607 7.781 8.360 0.047 0.000 0.447 197 S N -1.170 114.593 115.700 0.104 0.000 2.446 197 S HA -0.093 nan 4.470 nan 0.000 0.225 197 S C 1.901 176.533 174.600 0.053 0.000 1.016 197 S CA 2.365 60.624 58.200 0.098 0.000 0.943 197 S CB 0.640 63.932 63.200 0.154 0.000 0.786 197 S HN -0.299 8.083 8.310 0.119 0.000 0.508 198 L N 3.159 124.408 121.223 0.043 0.000 1.978 198 L HA -0.347 nan 4.340 nan 0.000 0.218 198 L C 1.047 177.898 176.870 -0.030 0.000 1.075 198 L CA 3.535 58.378 54.840 0.006 0.000 0.767 198 L CB -0.255 41.803 42.059 -0.002 0.000 0.890 198 L HN -0.013 8.147 8.230 0.058 0.105 0.434 199 I N -3.739 116.797 120.570 -0.056 0.000 2.361 199 I HA -0.445 nan 4.170 nan 0.000 0.251 199 I C 2.021 178.072 176.117 -0.110 0.000 1.133 199 I CA 2.823 64.032 61.300 -0.151 0.000 1.413 199 I CB -1.669 36.153 38.000 -0.296 0.000 1.073 199 I HN 0.073 8.268 8.210 -0.025 0.000 0.424 200 D N -0.026 120.351 120.400 -0.038 0.000 2.117 200 D HA -0.206 nan 4.640 nan 0.000 0.197 200 D C 2.260 178.548 176.300 -0.020 0.000 0.987 200 D CA 3.418 57.410 54.000 -0.014 0.000 0.829 200 D CB -0.397 40.417 40.800 0.023 0.000 0.961 200 D HN -0.683 7.561 8.370 -0.009 0.121 0.460 201 G N -0.342 108.447 108.800 -0.018 0.000 2.480 201 G HA2 -0.305 nan 3.960 nan 0.000 0.216 201 G HA3 -0.305 nan 3.960 nan 0.000 0.216 201 G C 1.348 176.231 174.900 -0.029 0.000 1.200 201 G CA 2.204 47.292 45.100 -0.019 0.000 0.782 201 G HN -0.131 8.152 8.290 -0.012 0.000 0.554 202 I N 1.682 122.224 120.570 -0.046 0.000 2.208 202 I HA -0.604 nan 4.170 nan 0.000 0.245 202 I C 2.217 178.302 176.117 -0.054 0.000 1.097 202 I CA 3.702 64.971 61.300 -0.051 0.000 1.363 202 I CB -0.308 37.646 38.000 -0.077 0.000 1.051 202 I HN -0.471 7.708 8.210 -0.052 0.000 0.413 203 K N -0.914 119.443 120.400 -0.071 0.000 2.031 203 K HA -0.229 nan 4.320 nan 0.000 0.205 203 K C 3.121 179.706 176.600 -0.025 0.000 1.049 203 K CA 2.644 58.897 56.287 -0.056 0.000 0.939 203 K CB -0.501 31.960 32.500 -0.066 0.000 0.717 203 K HN 0.042 8.231 8.250 -0.084 0.010 0.438 204 R N -0.858 119.632 120.500 -0.017 0.000 2.096 204 R HA -0.293 nan 4.340 nan 0.000 0.235 204 R C 1.964 178.261 176.300 -0.004 0.000 1.127 204 R CA 3.068 59.166 56.100 -0.004 0.000 0.968 204 R CB -0.161 30.140 30.300 0.001 0.000 0.861 204 R HN 0.129 8.386 8.270 -0.021 0.000 0.440 205 A N -4.314 118.501 122.820 -0.008 0.000 1.930 205 A HA 0.023 nan 4.320 nan 0.000 0.215 205 A C 1.733 179.316 177.584 -0.001 0.000 1.176 205 A CA 2.696 54.731 52.037 -0.003 0.000 0.632 205 A CB 0.157 19.155 19.000 -0.002 0.000 0.819 205 A HN -0.068 8.068 8.150 -0.013 0.006 0.445 206 T N -8.883 105.667 114.554 -0.006 0.000 2.958 206 T HA 0.153 nan 4.350 nan 0.000 0.256 206 T C 0.486 175.183 174.700 -0.006 0.000 0.983 206 T CA -0.673 61.425 62.100 -0.003 0.000 0.924 206 T CB 1.673 70.541 68.868 -0.001 0.000 1.136 206 T HN -0.325 7.825 8.240 -0.014 0.081 0.506 207 D N 0.224 120.617 120.400 -0.012 0.000 2.751 207 D HA -0.329 nan 4.640 nan 0.000 0.233 207 D C -0.710 175.586 176.300 -0.008 0.000 1.149 207 D CA 1.487 55.482 54.000 -0.008 0.000 0.682 207 D CB -1.174 39.627 40.800 0.001 0.000 1.068 207 D HN 0.203 8.432 8.370 -0.016 0.131 0.429 208 V N -1.594 118.309 119.914 -0.019 0.000 2.686 208 V HA 0.129 nan 4.120 nan 0.000 0.295 208 V C -0.374 175.708 176.094 -0.020 0.000 1.057 208 V CA -0.954 61.337 62.300 -0.015 0.000 1.012 208 V CB 2.027 33.839 31.823 -0.017 0.000 1.006 208 V HN -0.690 7.473 8.190 -0.030 0.010 0.477 209 M N 7.000 126.600 119.600 0.001 0.000 2.227 209 M HA 0.205 nan 4.480 nan 0.000 0.349 209 M C -0.172 176.133 176.300 0.008 0.000 1.443 209 M CA 0.725 56.036 55.300 0.019 0.000 1.110 209 M CB 0.584 33.202 32.600 0.030 0.000 1.773 209 M HN 0.281 8.574 8.290 0.005 0.000 0.463 210 I N 6.606 127.182 120.570 0.010 0.000 2.480 210 I HA -0.137 nan 4.170 nan 0.000 0.251 210 I C 0.105 176.260 176.117 0.064 0.000 1.124 210 I CA 0.331 61.628 61.300 -0.004 0.000 1.444 210 I CB -0.958 36.981 38.000 -0.103 0.000 1.098 210 I HN 0.489 8.716 8.210 0.028 0.000 0.428 211 A N -2.316 120.576 122.820 0.119 0.000 2.498 211 A HA -0.202 nan 4.320 nan 0.000 0.239 211 A C 0.609 178.225 177.584 0.054 0.000 1.068 211 A CA 1.222 53.319 52.037 0.100 0.000 0.766 211 A CB -0.418 18.642 19.000 0.100 0.000 1.003 211 A HN -0.348 7.894 8.150 0.154 0.000 0.497 212 G N 2.389 111.213 108.800 0.041 0.000 2.176 212 G HA2 -0.420 nan 3.960 nan 0.000 0.253 212 G HA3 -0.420 nan 3.960 nan 0.000 0.253 212 G C -0.569 174.339 174.900 0.013 0.000 0.979 212 G CA 0.144 45.258 45.100 0.023 0.000 0.641 212 G HN 0.477 8.686 8.290 0.046 0.108 0.530 213 K N -0.079 120.328 120.400 0.010 0.000 2.156 213 K HA 0.369 nan 4.320 nan 0.000 0.254 213 K C -0.927 175.656 176.600 -0.028 0.000 0.950 213 K CA -1.369 54.912 56.287 -0.010 0.000 0.849 213 K CB 2.542 35.034 32.500 -0.014 0.000 1.100 213 K HN -0.668 7.531 8.250 0.021 0.064 0.434 214 V N 3.225 123.107 119.914 -0.053 0.000 2.408 214 V HA 0.222 nan 4.120 nan 0.000 0.267 214 V C -1.322 174.676 176.094 -0.160 0.000 1.047 214 V CA -0.795 61.452 62.300 -0.087 0.000 0.937 214 V CB -0.315 31.451 31.823 -0.095 0.000 0.999 214 V HN 0.446 8.961 8.190 -0.046 -0.352 0.472 215 A N 8.297 131.024 122.820 -0.155 0.000 2.304 215 A HA 0.787 nan 4.320 nan 0.000 0.323 215 A C -1.958 175.457 177.584 -0.282 0.000 1.195 215 A CA -1.711 50.197 52.037 -0.215 0.000 0.826 215 A CB 1.956 20.884 19.000 -0.121 0.000 1.184 215 A HN 0.034 8.014 8.150 -0.102 0.108 0.496 216 V N 4.733 124.370 119.914 -0.462 0.000 2.357 216 V HA 0.535 nan 4.120 nan 0.000 0.284 216 V C -1.229 174.717 176.094 -0.247 0.000 1.018 216 V CA -0.620 61.437 62.300 -0.406 0.000 0.841 216 V CB 1.426 32.858 31.823 -0.652 0.000 0.991 216 V HN 0.428 8.249 8.190 -0.614 0.000 0.437 217 V N 7.394 127.215 119.914 -0.156 0.000 2.370 217 V HA 0.602 nan 4.120 nan 0.000 0.283 217 V C -1.629 174.432 176.094 -0.056 0.000 1.023 217 V CA -2.141 60.104 62.300 -0.092 0.000 0.857 217 V CB 1.768 33.533 31.823 -0.097 0.000 0.985 217 V HN 0.570 8.663 8.190 -0.162 0.000 0.443 218 A N 7.094 129.900 122.820 -0.024 0.000 2.316 218 A HA 0.633 nan 4.320 nan 0.000 0.311 218 A C -1.407 176.180 177.584 0.004 0.000 1.339 218 A CA -1.275 50.755 52.037 -0.012 0.000 0.960 218 A CB 0.284 19.279 19.000 -0.007 0.000 1.152 218 A HN 0.841 8.984 8.150 -0.012 0.000 0.547 219 G N 4.331 113.143 108.800 0.019 0.000 2.539 219 G HA2 -0.225 nan 3.960 nan 0.000 0.686 219 G HA3 -0.225 nan 3.960 nan 0.000 0.686 219 G C -2.359 172.601 174.900 0.100 0.000 1.258 219 G CA -0.174 44.953 45.100 0.045 0.000 0.846 219 G HN 0.006 8.303 8.290 0.013 0.000 0.647 220 Y N 1.573 121.839 120.300 -0.056 0.000 2.810 220 Y HA 0.179 nan 4.550 nan 0.000 0.255 220 Y C -1.569 174.302 175.900 -0.047 0.000 0.979 220 Y CA -1.213 56.845 58.100 -0.070 0.000 1.106 220 Y CB 1.505 39.924 38.460 -0.070 0.000 1.209 220 Y HN 0.191 8.747 8.280 0.110 -0.210 0.646 221 G N 0.612 109.344 108.800 -0.113 0.000 2.582 221 G HA2 -0.127 nan 3.960 nan 0.000 0.232 221 G HA3 -0.127 nan 3.960 nan 0.000 0.232 221 G C -0.269 174.496 174.900 -0.224 0.000 1.458 221 G CA -0.556 44.474 45.100 -0.117 0.000 1.062 221 G HN -0.436 7.812 8.290 -0.070 0.000 0.566 222 D N -0.144 120.157 120.400 -0.165 0.000 2.117 222 D HA -0.167 nan 4.640 nan 0.000 0.197 222 D C 2.457 178.632 176.300 -0.207 0.000 0.987 222 D CA 3.134 57.011 54.000 -0.205 0.000 0.829 222 D CB -0.513 40.194 40.800 -0.156 0.000 0.961 222 D HN 0.365 8.671 8.370 -0.108 0.000 0.460 223 V N -1.259 118.574 119.914 -0.134 0.000 2.307 223 V HA -0.270 nan 4.120 nan 0.000 0.245 223 V C 2.186 178.199 176.094 -0.135 0.000 1.045 223 V CA 4.742 66.983 62.300 -0.099 0.000 1.024 223 V CB -0.696 31.108 31.823 -0.033 0.000 0.651 223 V HN 0.142 8.272 8.190 -0.099 0.000 0.449 224 G N -1.419 107.287 108.800 -0.158 0.000 2.440 224 G HA2 -0.413 nan 3.960 nan 0.000 0.218 224 G HA3 -0.413 nan 3.960 nan 0.000 0.218 224 G C 1.166 175.879 174.900 -0.312 0.000 1.154 224 G CA 2.401 47.397 45.100 -0.173 0.000 0.767 224 G HN 0.144 8.350 8.290 -0.140 0.000 0.552 225 K N 2.196 122.276 120.400 -0.534 0.000 2.026 225 K HA -0.342 nan 4.320 nan 0.000 0.208 225 K C 2.545 178.980 176.600 -0.275 0.000 1.048 225 K CA 3.416 59.331 56.287 -0.620 0.000 0.929 225 K CB -0.101 32.012 32.500 -0.645 0.000 0.713 225 K HN 0.138 8.083 8.250 -0.493 0.009 0.439 226 G N -1.587 107.073 108.800 -0.232 0.000 2.402 226 G HA2 -0.292 nan 3.960 nan 0.000 0.216 226 G HA3 -0.292 nan 3.960 nan 0.000 0.216 226 G C 1.138 175.993 174.900 -0.074 0.000 1.162 226 G CA 2.094 47.108 45.100 -0.143 0.000 0.777 226 G HN -0.347 7.784 8.290 -0.264 0.000 0.539 227 C N 2.628 121.878 119.300 -0.083 0.000 2.429 227 C HA -0.258 nan 4.460 nan 0.000 0.277 227 C C 2.176 177.139 174.990 -0.044 0.000 1.262 227 C CA 3.726 62.715 59.018 -0.049 0.000 1.733 227 C CB -2.080 25.628 27.740 -0.054 0.000 2.010 227 C HN 0.423 8.586 8.230 -0.112 0.000 0.483 228 A N -0.501 122.267 122.820 -0.085 0.000 1.877 228 A HA -0.375 nan 4.320 nan 0.000 0.216 228 A C 1.712 179.321 177.584 0.043 0.000 1.186 228 A CA 3.334 55.300 52.037 -0.118 0.000 0.620 228 A CB -1.018 17.795 19.000 -0.312 0.000 0.822 228 A HN 0.395 8.474 8.150 -0.118 0.000 0.443 229 Q N -0.734 119.116 119.800 0.084 0.000 2.096 229 Q HA -0.382 nan 4.340 nan 0.000 0.204 229 Q C 2.159 178.236 176.000 0.130 0.000 0.982 229 Q CA 3.059 58.952 55.803 0.150 0.000 0.850 229 Q CB -0.056 28.737 28.738 0.091 0.000 0.901 229 Q HN -0.040 8.240 8.270 0.017 0.000 0.422 230 A N -0.031 122.851 122.820 0.103 0.000 1.851 230 A HA -0.297 nan 4.320 nan 0.000 0.216 230 A C 2.273 179.998 177.584 0.234 0.000 1.195 230 A CA 3.036 55.166 52.037 0.155 0.000 0.622 230 A CB -0.786 18.279 19.000 0.107 0.000 0.831 230 A HN -0.246 7.940 8.150 0.061 0.000 0.444 231 L N -2.627 118.683 121.223 0.145 0.000 2.079 231 L HA -0.456 nan 4.340 nan 0.000 0.210 231 L C 2.219 179.203 176.870 0.189 0.000 1.081 231 L CA 2.926 57.848 54.840 0.137 0.000 0.752 231 L CB -0.456 41.627 42.059 0.040 0.000 0.896 231 L HN -0.491 7.789 8.230 0.083 0.000 0.433 232 R N -0.761 119.847 120.500 0.179 0.000 2.081 232 R HA -0.308 nan 4.340 nan 0.000 0.235 232 R C 2.934 179.311 176.300 0.130 0.000 1.131 232 R CA 3.418 59.623 56.100 0.176 0.000 0.960 232 R CB -0.332 30.113 30.300 0.241 0.000 0.856 232 R HN 0.251 8.616 8.270 0.170 0.007 0.436 233 G N -2.370 106.503 108.800 0.122 0.000 2.498 233 G HA2 -0.200 nan 3.960 nan 0.000 0.219 233 G HA3 -0.200 nan 3.960 nan 0.000 0.219 233 G C 0.297 175.150 174.900 -0.080 0.000 1.119 233 G CA 1.523 46.634 45.100 0.018 0.000 0.766 233 G HN -0.007 8.300 8.290 0.152 0.074 0.552 234 F N -0.099 119.864 119.950 0.021 0.000 2.754 234 F HA 0.113 nan 4.527 nan 0.000 0.297 234 F C -0.417 175.390 175.800 0.011 0.000 1.122 234 F CA 0.509 58.517 58.000 0.014 0.000 1.400 234 F CB 1.051 40.059 39.000 0.012 0.000 1.117 234 F HN -0.801 7.507 8.300 0.312 0.179 0.587 235 G N -3.395 105.492 108.800 0.146 0.000 2.154 235 G HA2 -0.333 nan 3.960 nan 0.000 0.186 235 G HA3 -0.333 nan 3.960 nan 0.000 0.186 235 G C -1.439 173.512 174.900 0.084 0.000 1.000 235 G CA -0.176 44.978 45.100 0.090 0.000 0.664 235 G HN -0.487 7.722 8.290 0.140 0.165 0.513 236 A N 0.579 123.459 122.820 0.099 0.000 2.286 236 A HA 0.508 nan 4.320 nan 0.000 0.286 236 A C -1.412 176.204 177.584 0.054 0.000 1.097 236 A CA -1.466 50.607 52.037 0.060 0.000 0.821 236 A CB 1.184 20.212 19.000 0.046 0.000 1.076 236 A HN -0.414 7.816 8.150 0.134 0.000 0.490 237 R N 1.628 122.144 120.500 0.026 0.000 2.391 237 R HA 0.190 nan 4.340 nan 0.000 0.310 237 R C -1.128 175.185 176.300 0.021 0.000 1.174 237 R CA -1.167 54.950 56.100 0.029 0.000 1.118 237 R CB 0.381 30.685 30.300 0.007 0.000 1.134 237 R HN 0.220 8.388 8.270 0.008 0.108 0.524 238 V N 7.833 127.795 119.914 0.080 0.000 2.572 238 V HA 0.142 nan 4.120 nan 0.000 0.291 238 V C -1.206 174.910 176.094 0.036 0.000 1.039 238 V CA 0.864 63.188 62.300 0.040 0.000 1.055 238 V CB 0.501 32.361 31.823 0.061 0.000 0.969 238 V HN 0.139 8.414 8.190 0.141 0.000 0.482 239 I N 6.167 126.696 120.570 -0.068 0.000 2.465 239 I HA 0.609 nan 4.170 nan 0.000 0.291 239 I C -1.236 174.812 176.117 -0.116 0.000 1.014 239 I CA -1.090 60.168 61.300 -0.070 0.000 1.093 239 I CB 2.865 40.810 38.000 -0.091 0.000 1.267 239 I HN 0.505 8.642 8.210 -0.121 0.000 0.431 240 I N 6.565 127.069 120.570 -0.110 0.000 2.676 240 I HA 0.734 nan 4.170 nan 0.000 0.309 240 I C -1.258 174.807 176.117 -0.087 0.000 0.990 240 I CA -2.392 58.832 61.300 -0.127 0.000 1.168 240 I CB 1.935 39.810 38.000 -0.208 0.000 1.343 240 I HN 1.059 9.110 8.210 -0.077 0.113 0.482 241 T N 0.805 115.321 114.554 -0.063 0.000 2.900 241 T HA 0.683 nan 4.350 nan 0.000 0.295 241 T C -1.478 173.208 174.700 -0.023 0.000 1.044 241 T CA -2.032 60.039 62.100 -0.047 0.000 0.995 241 T CB 2.868 71.705 68.868 -0.051 0.000 1.072 241 T HN 0.106 8.315 8.240 -0.050 0.000 0.473 242 E N 2.977 123.166 120.200 -0.018 0.000 2.416 242 E HA 0.296 nan 4.350 nan 0.000 0.280 242 E C -1.562 175.039 176.600 0.001 0.000 1.055 242 E CA 0.070 56.471 56.400 0.003 0.000 0.825 242 E CB 3.999 33.705 29.700 0.010 0.000 1.312 242 E HN 0.361 8.706 8.360 -0.025 0.000 0.452 243 I N -3.561 117.015 120.570 0.011 0.000 4.139 243 I HA 0.422 nan 4.170 nan 0.000 0.320 243 I C 0.066 176.189 176.117 0.011 0.000 1.290 243 I CA 0.042 61.347 61.300 0.008 0.000 1.253 243 I CB 1.273 39.279 38.000 0.010 0.000 1.122 243 I HN -0.313 7.908 8.210 0.019 0.000 0.421 244 D N 3.399 123.810 120.400 0.019 0.000 2.280 244 D HA 0.376 nan 4.640 nan 0.000 0.243 244 D C -0.799 175.511 176.300 0.018 0.000 1.129 244 D CA -3.017 50.995 54.000 0.021 0.000 0.848 244 D CB 1.803 42.621 40.800 0.031 0.000 1.107 244 D HN -0.375 8.338 8.370 0.025 -0.329 0.471 245 P HA -0.177 nan 4.420 nan 0.000 0.218 245 P C 1.509 178.815 177.300 0.009 0.000 1.148 245 P CA 1.976 65.079 63.100 0.005 0.000 0.822 245 P CB 0.527 32.228 31.700 0.001 0.000 0.784 246 I N -1.737 118.843 120.570 0.018 0.000 2.163 246 I HA -0.553 nan 4.170 nan 0.000 0.240 246 I C 1.737 177.882 176.117 0.047 0.000 1.081 246 I CA 3.977 65.293 61.300 0.025 0.000 1.353 246 I CB -0.465 37.549 38.000 0.025 0.000 1.054 246 I HN 0.265 8.715 8.210 0.018 -0.229 0.407 247 N N -0.044 118.698 118.700 0.071 0.000 2.069 247 N HA -0.362 nan 4.740 nan 0.000 0.191 247 N C 1.941 177.509 175.510 0.097 0.000 1.031 247 N CA 3.846 56.985 53.050 0.148 0.000 0.852 247 N CB -0.565 38.018 38.487 0.159 0.000 1.018 247 N HN -0.705 7.895 8.380 0.058 -0.186 0.423 248 A N -0.045 122.788 122.820 0.022 0.000 1.908 248 A HA -0.260 nan 4.320 nan 0.000 0.218 248 A C 1.970 179.511 177.584 -0.071 0.000 1.181 248 A CA 3.000 55.006 52.037 -0.051 0.000 0.627 248 A CB -0.583 18.399 19.000 -0.031 0.000 0.818 248 A HN -0.155 8.015 8.150 0.033 0.000 0.445 249 L N -1.409 119.797 121.223 -0.028 0.000 2.046 249 L HA -0.380 nan 4.340 nan 0.000 0.208 249 L C 1.893 178.747 176.870 -0.027 0.000 1.077 249 L CA 2.718 57.543 54.840 -0.026 0.000 0.747 249 L CB -0.494 41.561 42.059 -0.007 0.000 0.896 249 L HN -0.150 7.891 8.230 -0.007 0.185 0.432 250 Q N -1.588 118.219 119.800 0.012 0.000 2.096 250 Q HA -0.481 nan 4.340 nan 0.000 0.204 250 Q C 2.575 178.566 176.000 -0.016 0.000 0.982 250 Q CA 3.268 59.113 55.803 0.070 0.000 0.850 250 Q CB -0.228 28.645 28.738 0.224 0.000 0.901 250 Q HN 0.150 8.374 8.270 0.035 0.067 0.422 251 A N -1.434 121.194 122.820 -0.320 0.000 1.873 251 A HA -0.244 nan 4.320 nan 0.000 0.215 251 A C 1.898 179.398 177.584 -0.140 0.000 1.186 251 A CA 2.718 54.420 52.037 -0.559 0.000 0.616 251 A CB -0.800 17.631 19.000 -0.948 0.000 0.823 251 A HN -0.188 7.779 8.150 -0.292 0.008 0.442 252 A N -1.136 121.610 122.820 -0.125 0.000 1.908 252 A HA -0.296 nan 4.320 nan 0.000 0.218 252 A C 2.593 180.134 177.584 -0.072 0.000 1.181 252 A CA 2.934 54.925 52.037 -0.077 0.000 0.627 252 A CB -0.588 18.375 19.000 -0.063 0.000 0.818 252 A HN -0.133 7.928 8.150 -0.149 0.000 0.445 253 M N -3.369 116.199 119.600 -0.054 0.000 2.460 253 M HA -0.167 nan 4.480 nan 0.000 0.263 253 M C 0.883 177.147 176.300 -0.061 0.000 1.071 253 M CA 1.107 56.382 55.300 -0.043 0.000 1.096 253 M CB -1.169 31.422 32.600 -0.014 0.000 1.408 253 M HN 0.189 8.442 8.290 -0.049 0.007 0.463 254 E N -3.893 116.253 120.200 -0.089 0.000 2.474 254 E HA 0.219 nan 4.350 nan 0.000 0.195 254 E C 0.899 177.279 176.600 -0.367 0.000 1.039 254 E CA -0.752 55.546 56.400 -0.171 0.000 0.881 254 E CB 0.287 29.931 29.700 -0.094 0.000 0.970 254 E HN -0.382 7.754 8.360 -0.073 0.180 0.486 255 G N -1.546 107.080 108.800 -0.290 0.000 2.179 255 G HA2 -0.379 nan 3.960 nan 0.000 0.220 255 G HA3 -0.379 nan 3.960 nan 0.000 0.220 255 G C -0.503 174.218 174.900 -0.299 0.000 0.990 255 G CA 0.127 45.051 45.100 -0.292 0.000 0.646 255 G HN -0.275 7.728 8.290 -0.187 0.174 0.517 256 Y N -0.164 120.078 120.300 -0.096 0.000 2.299 256 Y HA -0.122 nan 4.550 nan 0.000 0.326 256 Y C -0.559 175.271 175.900 -0.116 0.000 1.164 256 Y CA -0.134 57.900 58.100 -0.110 0.000 1.234 256 Y CB 0.650 39.011 38.460 -0.166 0.000 1.219 256 Y HN -0.686 7.377 8.280 -0.289 0.044 0.497 257 E N 2.784 123.028 120.200 0.074 0.000 2.366 257 E HA 0.109 nan 4.350 nan 0.000 0.266 257 E C -1.672 174.919 176.600 -0.015 0.000 1.051 257 E CA -0.170 56.234 56.400 0.006 0.000 0.884 257 E CB 1.849 31.546 29.700 -0.004 0.000 1.006 257 E HN 0.281 8.703 8.360 0.104 0.000 0.417 258 V N 4.546 124.437 119.914 -0.038 0.000 2.409 258 V HA 0.553 nan 4.120 nan 0.000 0.290 258 V C -0.383 175.684 176.094 -0.045 0.000 1.017 258 V CA -0.800 61.466 62.300 -0.057 0.000 0.841 258 V CB 0.423 32.203 31.823 -0.072 0.000 1.003 258 V HN 0.328 8.497 8.190 -0.034 0.000 0.426 259 T N 6.990 121.516 114.554 -0.047 0.000 2.551 259 T HA 0.566 nan 4.350 nan 0.000 0.249 259 T C -1.904 172.771 174.700 -0.043 0.000 0.851 259 T CA -1.293 60.783 62.100 -0.039 0.000 1.149 259 T CB 1.752 70.598 68.868 -0.036 0.000 1.456 259 T HN 0.711 8.918 8.240 -0.055 0.000 0.514 260 T N -3.414 111.115 114.554 -0.042 0.000 2.912 260 T HA 0.425 nan 4.350 nan 0.000 0.288 260 T C 0.966 175.619 174.700 -0.079 0.000 1.030 260 T CA -2.170 59.900 62.100 -0.049 0.000 1.020 260 T CB 1.908 70.758 68.868 -0.031 0.000 1.056 260 T HN -0.335 7.884 8.240 -0.036 0.000 0.480 261 M N 1.899 121.418 119.600 -0.134 0.000 2.149 261 M HA -0.213 nan 4.480 nan 0.000 0.261 261 M C 0.718 176.843 176.300 -0.292 0.000 1.064 261 M CA 2.153 57.290 55.300 -0.271 0.000 1.102 261 M CB -0.678 31.625 32.600 -0.495 0.000 1.369 261 M HN 0.562 8.783 8.290 -0.115 0.000 0.408 262 D N -3.625 116.690 120.400 -0.142 0.000 2.315 262 D HA -0.288 nan 4.640 nan 0.000 0.211 262 D C 1.334 177.637 176.300 0.004 0.000 0.977 262 D CA 2.815 56.825 54.000 0.017 0.000 0.894 262 D CB -0.934 39.901 40.800 0.059 0.000 0.910 262 D HN 0.412 8.710 8.370 -0.098 0.014 0.490 263 E N -3.383 116.803 120.200 -0.024 0.000 2.306 263 E HA 0.140 nan 4.350 nan 0.000 0.201 263 E C 1.915 178.515 176.600 -0.000 0.000 0.874 263 E CA 0.512 56.908 56.400 -0.006 0.000 0.972 263 E CB 1.312 31.005 29.700 -0.010 0.000 0.957 263 E HN -0.394 7.746 8.360 -0.049 0.191 0.492 264 A N 0.876 123.686 122.820 -0.016 0.000 1.933 264 A HA -0.211 nan 4.320 nan 0.000 0.218 264 A C 2.318 179.973 177.584 0.117 0.000 1.175 264 A CA 3.095 55.136 52.037 0.006 0.000 0.628 264 A CB -0.523 18.458 19.000 -0.032 0.000 0.814 264 A HN 0.494 8.619 8.150 -0.042 0.000 0.444 265 C N -4.473 114.904 119.300 0.128 0.000 2.403 265 C HA -0.349 nan 4.460 nan 0.000 0.279 265 C C 1.629 176.737 174.990 0.197 0.000 1.269 265 C CA 1.958 61.089 59.018 0.188 0.000 1.774 265 C CB -1.662 26.025 27.740 -0.088 0.000 1.993 265 C HN 0.282 8.494 8.230 -0.001 0.018 0.496 266 K N -1.310 119.158 120.400 0.114 0.000 2.439 266 K HA -0.193 nan 4.320 nan 0.000 0.197 266 K C 1.557 178.219 176.600 0.104 0.000 1.041 266 K CA 2.077 58.423 56.287 0.098 0.000 0.970 266 K CB -0.298 32.239 32.500 0.062 0.000 0.773 266 K HN -0.635 7.634 8.250 0.079 0.028 0.479 267 E N -1.541 118.722 120.200 0.104 0.000 2.306 267 E HA 0.085 nan 4.350 nan 0.000 0.201 267 E C 0.236 176.850 176.600 0.022 0.000 0.874 267 E CA 0.144 56.574 56.400 0.051 0.000 0.972 267 E CB 2.380 32.083 29.700 0.005 0.000 0.957 267 E HN 0.033 8.277 8.360 0.126 0.192 0.492 268 G N -1.944 106.838 108.800 -0.030 0.000 2.594 268 G HA2 -0.087 nan 3.960 nan 0.000 0.243 268 G HA3 -0.087 nan 3.960 nan 0.000 0.243 268 G C -1.058 173.841 174.900 -0.001 0.000 1.229 268 G CA 0.175 45.132 45.100 -0.240 0.000 0.843 268 G HN -0.577 7.736 8.290 0.039 0.000 0.578 269 N N -0.137 118.521 118.700 -0.070 0.000 2.332 269 N HA 0.340 nan 4.740 nan 0.000 0.190 269 N C -0.322 175.230 175.510 0.069 0.000 1.117 269 N CA 0.873 53.950 53.050 0.044 0.000 0.883 269 N CB 3.156 41.645 38.487 0.003 0.000 1.089 269 N HN 0.420 8.695 8.380 -0.175 0.000 0.480 270 I N -0.570 119.962 120.570 -0.063 0.000 2.619 270 I HA 0.436 nan 4.170 nan 0.000 0.292 270 I C -2.269 173.733 176.117 -0.192 0.000 1.100 270 I CA -0.313 60.980 61.300 -0.012 0.000 1.043 270 I CB 3.842 41.807 38.000 -0.058 0.000 1.239 270 I HN -0.602 7.468 8.210 -0.232 0.000 0.420 271 F N 5.322 125.258 119.950 -0.024 0.000 2.518 271 F HA 0.620 nan 4.527 nan 0.000 0.323 271 F C -1.749 174.028 175.800 -0.038 0.000 1.129 271 F CA -1.292 56.681 58.000 -0.044 0.000 0.920 271 F CB 2.837 41.799 39.000 -0.062 0.000 1.160 271 F HN 0.598 8.977 8.300 0.292 0.097 0.440 272 V N 3.820 123.775 119.914 0.068 0.000 2.540 272 V HA 0.655 nan 4.120 nan 0.000 0.302 272 V C -1.285 174.827 176.094 0.031 0.000 1.035 272 V CA -1.514 60.807 62.300 0.035 0.000 0.873 272 V CB 2.722 34.538 31.823 -0.012 0.000 0.992 272 V HN 0.805 8.997 8.190 0.004 0.000 0.428 273 T N 3.065 117.638 114.554 0.031 0.000 2.867 273 T HA 0.592 nan 4.350 nan 0.000 0.282 273 T C 0.077 174.787 174.700 0.017 0.000 1.000 273 T CA -1.895 60.219 62.100 0.023 0.000 1.042 273 T CB 1.833 70.717 68.868 0.026 0.000 0.973 273 T HN 0.012 8.272 8.240 0.033 0.000 0.465 274 T N 4.888 119.451 114.554 0.016 0.000 3.186 274 T HA 0.370 nan 4.350 nan 0.000 0.292 274 T C 0.774 175.492 174.700 0.029 0.000 0.915 274 T CA 1.280 63.388 62.100 0.015 0.000 0.902 274 T CB 0.651 69.513 68.868 -0.010 0.000 1.192 274 T HN 0.363 8.612 8.240 0.014 0.000 0.563 275 T N 2.393 116.969 114.554 0.036 0.000 2.674 275 T HA -0.149 nan 4.350 nan 0.000 0.265 275 T C 1.615 176.358 174.700 0.071 0.000 1.039 275 T CA 2.522 64.648 62.100 0.044 0.000 1.150 275 T CB 0.117 69.003 68.868 0.031 0.000 0.864 275 T HN -0.186 8.169 8.240 0.030 -0.097 0.427 276 G N -0.224 108.637 108.800 0.102 0.000 2.141 276 G HA2 -0.349 nan 3.960 nan 0.000 0.242 276 G HA3 -0.349 nan 3.960 nan 0.000 0.242 276 G C -1.980 172.984 174.900 0.106 0.000 0.982 276 G CA 0.246 45.449 45.100 0.171 0.000 0.662 276 G HN 0.088 8.952 8.290 0.092 -0.519 0.527 277 C N -2.920 116.404 119.300 0.039 0.000 2.719 277 C HA 0.531 nan 4.460 nan 0.000 0.327 277 C C -0.919 174.050 174.990 -0.035 0.000 1.238 277 C CA -2.730 56.286 59.018 -0.004 0.000 1.727 277 C CB 2.670 30.418 27.740 0.013 0.000 2.256 277 C HN -0.478 7.734 8.230 0.044 0.044 0.489 278 V N -0.602 119.284 119.914 -0.048 0.000 3.036 278 V HA 0.241 nan 4.120 nan 0.000 0.308 278 V C -0.308 175.775 176.094 -0.018 0.000 1.070 278 V CA -0.938 61.336 62.300 -0.044 0.000 1.056 278 V CB 0.751 32.547 31.823 -0.046 0.000 1.084 278 V HN 0.041 8.206 8.190 -0.041 0.000 0.471 279 D N -0.477 119.916 120.400 -0.012 0.000 2.697 279 D HA -0.248 nan 4.640 nan 0.000 0.238 279 D C -0.248 176.053 176.300 0.002 0.000 1.152 279 D CA 1.656 55.651 54.000 -0.008 0.000 0.666 279 D CB -1.451 39.342 40.800 -0.013 0.000 1.037 279 D HN -0.046 8.318 8.370 -0.011 0.000 0.423 280 I N -2.921 117.648 120.570 -0.001 0.000 2.385 280 I HA -0.125 nan 4.170 nan 0.000 0.244 280 I C 0.476 176.586 176.117 -0.013 0.000 1.089 280 I CA 0.724 62.021 61.300 -0.006 0.000 1.410 280 I CB 1.052 39.044 38.000 -0.014 0.000 1.117 280 I HN -0.124 8.084 8.210 -0.004 0.000 0.429 281 I N -0.713 119.822 120.570 -0.058 0.000 2.405 281 I HA 0.141 nan 4.170 nan 0.000 0.280 281 I C -1.806 174.169 176.117 -0.237 0.000 1.027 281 I CA -0.863 60.335 61.300 -0.169 0.000 1.161 281 I CB 0.581 38.308 38.000 -0.456 0.000 1.300 281 I HN -0.497 7.685 8.210 -0.045 0.000 0.463 282 L N 5.096 126.178 121.223 -0.235 0.000 2.416 282 L HA 0.501 nan 4.340 nan 0.000 0.263 282 L C 1.222 177.708 176.870 -0.640 0.000 1.065 282 L CA -2.411 52.184 54.840 -0.408 0.000 0.798 282 L CB 0.358 42.135 42.059 -0.470 0.000 1.267 282 L HN 0.005 8.272 8.230 0.061 0.000 0.467 283 G N -0.283 108.019 108.800 -0.830 0.000 2.432 283 G HA2 -0.334 nan 3.960 nan 0.000 0.219 283 G HA3 -0.334 nan 3.960 nan 0.000 0.219 283 G C 1.187 175.465 174.900 -1.036 0.000 1.135 283 G CA 2.468 46.552 45.100 -1.694 0.000 0.767 283 G HN 0.642 8.522 8.290 -0.684 0.000 0.550 284 R N 0.075 120.141 120.500 -0.723 0.000 2.152 284 R HA -0.293 nan 4.340 nan 0.000 0.232 284 R C 0.896 176.962 176.300 -0.390 0.000 1.117 284 R CA 2.183 58.001 56.100 -0.470 0.000 0.981 284 R CB -1.187 28.868 30.300 -0.409 0.000 0.870 284 R HN 0.218 8.045 8.270 -0.717 0.012 0.451 285 H N -0.926 117.899 119.070 -0.408 0.000 2.317 285 H HA -0.121 nan 4.556 nan 0.000 0.304 285 H C 2.620 177.697 175.328 -0.418 0.000 1.067 285 H CA 2.139 57.934 56.048 -0.422 0.000 1.352 285 H CB 0.355 29.781 29.762 -0.559 0.000 1.398 285 H HN -0.521 7.114 8.280 -0.827 0.149 0.510 286 F N -0.106 119.646 119.950 -0.330 0.000 2.120 286 F HA -0.427 nan 4.527 nan 0.000 0.300 286 F C 2.501 178.216 175.800 -0.143 0.000 1.095 286 F CA 3.759 61.588 58.000 -0.285 0.000 1.249 286 F CB -0.573 38.200 39.000 -0.378 0.000 0.995 286 F HN -0.103 7.819 8.300 -0.631 0.000 0.480 287 E N -2.372 117.825 120.200 -0.005 0.000 2.333 287 E HA -0.297 nan 4.350 nan 0.000 0.198 287 E C 1.394 178.022 176.600 0.047 0.000 1.007 287 E CA 2.309 58.746 56.400 0.061 0.000 0.845 287 E CB -0.504 29.214 29.700 0.030 0.000 0.766 287 E HN -0.091 8.150 8.360 -0.189 0.005 0.507 288 Q N -3.722 116.095 119.800 0.029 0.000 2.392 288 Q HA -0.000 nan 4.340 nan 0.000 0.219 288 Q C 0.001 176.068 176.000 0.111 0.000 0.895 288 Q CA -0.089 55.746 55.803 0.053 0.000 0.929 288 Q CB 1.218 29.974 28.738 0.029 0.000 1.077 288 Q HN -0.076 7.990 8.270 -0.012 0.196 0.532 289 M N 0.175 119.838 119.600 0.105 0.000 2.250 289 M HA -0.196 nan 4.480 nan 0.000 0.325 289 M C -0.565 175.878 176.300 0.238 0.000 1.084 289 M CA 1.222 56.605 55.300 0.138 0.000 1.161 289 M CB 0.456 33.086 32.600 0.050 0.000 1.481 289 M HN -0.697 7.519 8.290 0.064 0.112 0.449 290 K N 1.375 121.859 120.400 0.140 0.000 2.156 290 K HA -0.185 nan 4.320 nan 0.000 0.242 290 K C -0.712 175.740 176.600 -0.246 0.000 1.033 290 K CA 0.332 56.596 56.287 -0.038 0.000 0.878 290 K CB 0.310 32.810 32.500 -0.001 0.000 1.057 290 K HN 0.344 8.693 8.250 0.165 0.000 0.505 291 D N 0.077 120.135 120.400 -0.569 0.000 2.401 291 D HA -0.189 nan 4.640 nan 0.000 0.254 291 D C -0.445 175.785 176.300 -0.117 0.000 1.192 291 D CA 1.743 55.486 54.000 -0.427 0.000 0.885 291 D CB -0.016 40.555 40.800 -0.382 0.000 1.147 291 D HN -0.359 7.673 8.370 -0.562 0.000 0.478 292 D N 2.478 122.867 120.400 -0.020 0.000 2.907 292 D HA -0.465 nan 4.640 nan 0.000 0.226 292 D C -1.212 175.127 176.300 0.065 0.000 1.141 292 D CA 0.639 54.660 54.000 0.034 0.000 0.779 292 D CB -1.083 39.728 40.800 0.018 0.000 1.095 292 D HN -0.029 8.255 8.370 0.004 0.088 0.430 293 A N -2.814 120.065 122.820 0.098 0.000 2.483 293 A HA 0.050 nan 4.320 nan 0.000 0.238 293 A C -1.275 176.413 177.584 0.173 0.000 1.070 293 A CA 0.482 52.620 52.037 0.168 0.000 0.770 293 A CB 1.174 20.308 19.000 0.222 0.000 1.008 293 A HN -0.470 7.733 8.150 0.088 0.000 0.497 294 I N 1.435 122.119 120.570 0.190 0.000 2.359 294 I HA 0.493 nan 4.170 nan 0.000 0.294 294 I C -1.349 174.901 176.117 0.223 0.000 0.987 294 I CA -0.258 61.137 61.300 0.158 0.000 1.225 294 I CB 1.611 39.669 38.000 0.097 0.000 1.366 294 I HN 0.204 8.419 8.210 0.207 0.119 0.466 295 V N 6.106 126.133 119.914 0.188 0.000 2.447 295 V HA 0.660 nan 4.120 nan 0.000 0.292 295 V C -1.477 174.700 176.094 0.138 0.000 1.021 295 V CA -1.457 60.961 62.300 0.196 0.000 0.850 295 V CB 1.115 33.062 31.823 0.206 0.000 1.005 295 V HN 0.506 8.791 8.190 0.159 0.000 0.426 296 C N 5.038 124.404 119.300 0.110 0.000 2.971 296 C HA 0.940 nan 4.460 nan 0.000 0.310 296 C C -2.259 172.755 174.990 0.041 0.000 1.285 296 C CA -3.423 55.630 59.018 0.058 0.000 1.593 296 C CB 3.913 31.672 27.740 0.032 0.000 2.076 296 C HN 1.080 9.388 8.230 0.130 0.000 0.472 297 N N -0.701 118.001 118.700 0.004 0.000 2.238 297 N HA 0.610 nan 4.740 nan 0.000 0.302 297 N C -1.842 173.643 175.510 -0.042 0.000 1.072 297 N CA -0.758 52.286 53.050 -0.009 0.000 0.792 297 N CB 3.041 41.519 38.487 -0.014 0.000 1.425 297 N HN 0.401 8.771 8.380 -0.017 0.000 0.478 298 I N 3.984 124.541 120.570 -0.023 0.000 4.390 298 I HA 0.338 nan 4.170 nan 0.000 0.334 298 I C -1.401 174.716 176.117 0.001 0.000 1.379 298 I CA -2.223 59.061 61.300 -0.028 0.000 1.197 298 I CB 1.480 39.474 38.000 -0.009 0.000 1.396 298 I HN 0.413 8.622 8.210 -0.002 0.000 0.511 299 G N -0.555 108.259 108.800 0.024 0.000 2.672 299 G HA2 0.053 nan 3.960 nan 0.000 0.200 299 G HA3 0.053 nan 3.960 nan 0.000 0.200 299 G C -1.679 173.294 174.900 0.121 0.000 1.819 299 G CA -0.104 45.038 45.100 0.070 0.000 0.902 299 G HN -0.740 7.798 8.290 0.018 -0.237 0.512 300 H N 3.293 122.399 119.070 0.060 0.000 2.517 300 H HA 0.084 nan 4.556 nan 0.000 0.317 300 H C -0.536 174.871 175.328 0.132 0.000 1.080 300 H CA -1.935 54.182 56.048 0.115 0.000 1.301 300 H CB 1.418 31.243 29.762 0.105 0.000 1.425 300 H HN 0.065 8.860 8.280 0.226 -0.379 0.471 301 F N 6.247 126.315 119.950 0.196 0.000 2.500 301 F HA -0.503 nan 4.527 nan 0.000 0.409 301 F C 0.580 176.521 175.800 0.235 0.000 0.982 301 F CA 1.870 59.973 58.000 0.172 0.000 1.163 301 F CB 0.238 39.294 39.000 0.093 0.000 0.942 301 F HN 0.592 9.105 8.300 0.355 0.000 0.535 302 D N 0.439 120.949 120.400 0.182 0.000 2.771 302 D HA -0.579 nan 4.640 nan 0.000 0.183 302 D C 0.774 177.136 176.300 0.103 0.000 1.231 302 D CA 2.445 56.530 54.000 0.141 0.000 1.049 302 D CB -1.781 39.124 40.800 0.176 0.000 1.045 302 D HN 0.264 8.617 8.370 -0.027 0.000 0.419 303 V N -6.098 113.865 119.914 0.081 0.000 2.759 303 V HA -0.232 nan 4.120 nan 0.000 0.256 303 V C 0.912 177.000 176.094 -0.010 0.000 1.080 303 V CA 2.290 64.577 62.300 -0.021 0.000 1.101 303 V CB -0.915 30.778 31.823 -0.216 0.000 0.698 303 V HN -0.238 7.953 8.190 0.158 0.093 0.477 304 E N -0.541 119.669 120.200 0.017 0.000 2.152 304 E HA -0.222 nan 4.350 nan 0.000 0.192 304 E C 0.104 176.719 176.600 0.025 0.000 0.983 304 E CA 2.284 58.694 56.400 0.018 0.000 0.818 304 E CB 0.375 30.093 29.700 0.031 0.000 0.758 304 E HN -0.328 8.019 8.360 0.043 0.038 0.467 305 I N -2.955 117.646 120.570 0.052 0.000 2.493 305 I HA 0.185 nan 4.170 nan 0.000 0.298 305 I C -1.128 175.068 176.117 0.132 0.000 0.998 305 I CA -1.699 59.656 61.300 0.091 0.000 1.137 305 I CB 2.002 40.083 38.000 0.134 0.000 1.310 305 I HN -0.984 7.260 8.210 0.056 0.000 0.445 306 D N 7.436 127.954 120.400 0.196 0.000 2.551 306 D HA 0.054 nan 4.640 nan 0.000 0.223 306 D C 0.511 176.943 176.300 0.220 0.000 1.144 306 D CA -0.716 53.407 54.000 0.204 0.000 1.025 306 D CB -1.120 39.799 40.800 0.199 0.000 1.085 306 D HN 0.081 8.579 8.370 0.213 0.000 0.506 307 V N 3.454 123.440 119.914 0.121 0.000 2.407 307 V HA -0.406 nan 4.120 nan 0.000 0.248 307 V C 1.461 177.559 176.094 0.005 0.000 1.055 307 V CA 3.724 66.038 62.300 0.025 0.000 1.049 307 V CB -0.302 31.549 31.823 0.047 0.000 0.662 307 V HN -0.116 8.102 8.190 0.115 0.040 0.455 308 K N -1.006 119.431 120.400 0.061 0.000 2.063 308 K HA -0.359 nan 4.320 nan 0.000 0.208 308 K C 1.789 178.407 176.600 0.030 0.000 1.048 308 K CA 3.331 59.645 56.287 0.045 0.000 0.928 308 K CB -0.613 31.923 32.500 0.061 0.000 0.713 308 K HN -0.010 8.289 8.250 0.082 0.000 0.442 309 W N 0.306 121.557 121.300 -0.081 0.000 2.335 309 W HA -0.376 nan 4.660 nan 0.000 0.311 309 W C 1.709 178.102 176.519 -0.210 0.000 1.213 309 W CA 3.830 61.116 57.345 -0.099 0.000 1.274 309 W CB -0.076 29.360 29.460 -0.040 0.000 1.148 309 W HN -0.776 7.742 8.180 0.266 -0.178 0.498 310 L N -2.291 118.869 121.223 -0.105 0.000 1.989 310 L HA -0.716 nan 4.340 nan 0.000 0.211 310 L C 2.241 178.865 176.870 -0.410 0.000 1.071 310 L CA 3.430 57.939 54.840 -0.552 0.000 0.749 310 L CB -0.586 40.781 42.059 -1.153 0.000 0.890 310 L HN -0.758 7.396 8.230 -0.003 0.074 0.431 311 N N -1.936 116.660 118.700 -0.174 0.000 2.104 311 N HA -0.300 nan 4.740 nan 0.000 0.190 311 N C 2.612 178.063 175.510 -0.099 0.000 1.024 311 N CA 2.728 55.792 53.050 0.023 0.000 0.853 311 N CB -0.358 38.154 38.487 0.042 0.000 1.008 311 N HN -0.040 8.234 8.380 -0.176 0.000 0.424 312 E N -3.081 116.992 120.200 -0.212 0.000 2.435 312 E HA -0.000 nan 4.350 nan 0.000 0.195 312 E C 0.508 176.875 176.600 -0.390 0.000 1.029 312 E CA 1.660 57.911 56.400 -0.248 0.000 0.865 312 E CB 0.553 30.130 29.700 -0.206 0.000 0.833 312 E HN 0.167 8.176 8.360 -0.234 0.211 0.510 313 N N -3.194 115.119 118.700 -0.645 0.000 2.159 313 N HA 0.155 nan 4.740 nan 0.000 0.217 313 N C -1.603 173.608 175.510 -0.499 0.000 1.223 313 N CA 0.142 52.746 53.050 -0.742 0.000 0.896 313 N CB 2.160 39.745 38.487 -1.503 0.000 1.064 313 N HN -0.168 7.651 8.380 -0.695 0.144 0.518 314 A N 0.255 122.885 122.820 -0.316 0.000 2.316 314 A HA 0.292 nan 4.320 nan 0.000 0.284 314 A C 0.330 177.875 177.584 -0.065 0.000 1.115 314 A CA -0.540 51.432 52.037 -0.108 0.000 0.812 314 A CB 0.983 20.062 19.000 0.131 0.000 1.064 314 A HN -0.599 7.377 8.150 -0.291 0.000 0.489 315 V N 1.918 121.811 119.914 -0.035 0.000 2.379 315 V HA -0.153 nan 4.120 nan 0.000 0.245 315 V C 0.740 176.817 176.094 -0.028 0.000 1.044 315 V CA 2.343 64.624 62.300 -0.032 0.000 1.036 315 V CB 0.154 31.967 31.823 -0.018 0.000 0.664 315 V HN 0.661 8.841 8.190 -0.016 0.000 0.453 316 E N -3.164 117.025 120.200 -0.019 0.000 2.404 316 E HA 0.437 nan 4.350 nan 0.000 0.264 316 E C -2.050 174.496 176.600 -0.091 0.000 0.946 316 E CA -1.467 54.905 56.400 -0.047 0.000 0.806 316 E CB 3.800 33.476 29.700 -0.040 0.000 1.334 316 E HN -0.731 7.631 8.360 0.003 0.000 0.429 317 K N -0.536 119.760 120.400 -0.173 0.000 2.582 317 K HA 0.265 nan 4.320 nan 0.000 0.259 317 K C -1.964 174.471 176.600 -0.275 0.000 0.973 317 K CA -0.182 55.875 56.287 -0.382 0.000 0.880 317 K CB 2.331 34.563 32.500 -0.446 0.000 1.310 317 K HN 0.070 8.240 8.250 -0.133 0.000 0.443 318 V N 2.967 122.719 119.914 -0.271 0.000 2.638 318 V HA 0.423 nan 4.120 nan 0.000 0.306 318 V C -2.281 173.722 176.094 -0.152 0.000 1.052 318 V CA -2.022 60.179 62.300 -0.164 0.000 0.885 318 V CB 3.713 35.475 31.823 -0.102 0.000 0.999 318 V HN 0.671 8.663 8.190 -0.331 0.000 0.424 319 N N 6.380 125.013 118.700 -0.112 0.000 2.442 319 N HA 0.162 nan 4.740 nan 0.000 0.265 319 N C -0.106 175.371 175.510 -0.056 0.000 1.138 319 N CA 0.778 53.779 53.050 -0.082 0.000 0.956 319 N CB 0.345 38.795 38.487 -0.061 0.000 1.067 319 N HN 0.354 8.674 8.380 -0.100 0.000 0.474 320 I N 5.943 126.487 120.570 -0.044 0.000 2.703 320 I HA -0.078 nan 4.170 nan 0.000 0.259 320 I C -0.192 175.914 176.117 -0.018 0.000 1.151 320 I CA 1.592 62.876 61.300 -0.027 0.000 1.470 320 I CB 0.883 38.872 38.000 -0.018 0.000 1.112 320 I HN 0.779 8.859 8.210 -0.046 0.103 0.437 321 K N -2.952 117.438 120.400 -0.017 0.000 2.711 321 K HA 0.326 nan 4.320 nan 0.000 0.294 321 K C -3.044 173.549 176.600 -0.010 0.000 1.037 321 K CA -2.238 54.043 56.287 -0.011 0.000 0.858 321 K CB -0.130 32.367 32.500 -0.005 0.000 1.521 321 K HN -0.559 7.679 8.250 -0.020 0.000 0.386 322 P HA -0.113 nan 4.420 nan 0.000 0.264 322 P C -0.963 176.333 177.300 -0.007 0.000 1.193 322 P CA 1.798 64.894 63.100 -0.007 0.000 0.763 322 P CB -0.477 31.221 31.700 -0.004 0.000 0.810 323 Q N -4.308 115.487 119.800 -0.008 0.000 2.342 323 Q HA -0.444 nan 4.340 nan 0.000 0.196 323 Q C -1.114 174.888 176.000 0.004 0.000 0.629 323 Q CA 1.507 57.307 55.803 -0.005 0.000 1.365 323 Q CB -1.979 26.752 28.738 -0.011 0.000 1.406 323 Q HN 0.511 8.775 8.270 -0.010 0.000 0.840 324 V N 0.464 120.379 119.914 0.002 0.000 2.376 324 V HA 0.326 nan 4.120 nan 0.000 0.287 324 V C -1.895 174.197 176.094 -0.004 0.000 1.015 324 V CA -0.524 61.781 62.300 0.008 0.000 0.834 324 V CB 0.961 32.786 31.823 0.004 0.000 1.001 324 V HN -0.062 8.056 8.190 -0.005 0.069 0.428 325 D N 8.157 128.564 120.400 0.012 0.000 2.342 325 D HA 0.794 nan 4.640 nan 0.000 0.243 325 D C -2.500 173.788 176.300 -0.020 0.000 1.019 325 D CA -0.846 53.124 54.000 -0.051 0.000 0.864 325 D CB 4.354 45.117 40.800 -0.061 0.000 1.315 325 D HN 0.182 8.582 8.370 0.051 0.000 0.468 326 R N 1.089 121.509 120.500 -0.134 0.000 2.502 326 R HA 0.630 nan 4.340 nan 0.000 0.300 326 R C -1.626 174.601 176.300 -0.122 0.000 0.984 326 R CA -0.937 55.149 56.100 -0.024 0.000 0.882 326 R CB 3.171 33.465 30.300 -0.009 0.000 1.180 326 R HN 0.410 8.541 8.270 -0.233 0.000 0.444 327 Y N 5.278 125.566 120.300 -0.020 0.000 2.342 327 Y HA 0.284 nan 4.550 nan 0.000 0.334 327 Y C -1.390 174.506 175.900 -0.008 0.000 1.067 327 Y CA -1.441 56.638 58.100 -0.034 0.000 1.128 327 Y CB 1.959 40.376 38.460 -0.073 0.000 1.200 327 Y HN 0.708 9.235 8.280 0.412 0.000 0.464 328 L N 2.729 124.025 121.223 0.122 0.000 2.275 328 L HA 0.623 nan 4.340 nan 0.000 0.288 328 L C -1.718 175.205 176.870 0.088 0.000 1.046 328 L CA -1.142 53.753 54.840 0.092 0.000 0.805 328 L CB 1.528 43.614 42.059 0.046 0.000 1.193 328 L HN -0.167 8.112 8.230 0.082 0.000 0.426 329 L N 3.947 125.232 121.223 0.104 0.000 2.387 329 L HA 0.285 nan 4.340 nan 0.000 0.266 329 L C 1.236 178.136 176.870 0.049 0.000 1.059 329 L CA -0.822 54.068 54.840 0.084 0.000 0.801 329 L CB 0.912 43.065 42.059 0.156 0.000 1.223 329 L HN 0.978 9.287 8.230 0.132 0.000 0.456 330 K N 3.224 123.640 120.400 0.026 0.000 2.211 330 K HA -0.403 nan 4.320 nan 0.000 0.204 330 K C 0.836 177.439 176.600 0.006 0.000 1.047 330 K CA 3.104 59.397 56.287 0.010 0.000 0.935 330 K CB -0.310 32.191 32.500 0.001 0.000 0.728 330 K HN 0.778 9.040 8.250 0.021 0.000 0.452 331 N N -3.825 114.875 118.700 -0.000 0.000 2.521 331 N HA -0.076 nan 4.740 nan 0.000 0.188 331 N C 0.532 175.987 175.510 -0.092 0.000 1.146 331 N CA -0.186 52.823 53.050 -0.068 0.000 0.893 331 N CB -1.186 37.221 38.487 -0.132 0.000 0.975 331 N HN -0.518 7.851 8.380 0.030 0.029 0.451 332 G N -0.913 107.885 108.800 -0.002 0.000 2.176 332 G HA2 -0.443 nan 3.960 nan 0.000 0.232 332 G HA3 -0.443 nan 3.960 nan 0.000 0.232 332 G C -0.879 174.138 174.900 0.196 0.000 0.986 332 G CA 0.183 45.322 45.100 0.065 0.000 0.643 332 G HN -0.004 8.107 8.290 0.022 0.192 0.522 333 H N 1.536 120.646 119.070 0.066 0.000 2.488 333 H HA 0.145 nan 4.556 nan 0.000 0.347 333 H C -1.390 173.988 175.328 0.083 0.000 1.174 333 H CA -0.629 55.463 56.048 0.074 0.000 1.307 333 H CB 1.815 31.628 29.762 0.085 0.000 1.517 333 H HN 0.163 8.816 8.280 0.116 -0.302 0.554 334 R N 0.011 120.626 120.500 0.192 0.000 2.532 334 R HA 0.649 nan 4.340 nan 0.000 0.295 334 R C -1.357 175.033 176.300 0.149 0.000 0.968 334 R CA -1.422 54.765 56.100 0.145 0.000 0.916 334 R CB 1.480 31.836 30.300 0.094 0.000 1.124 334 R HN 0.542 9.185 8.270 0.137 -0.291 0.463 335 I N 3.211 123.883 120.570 0.171 0.000 2.382 335 I HA 0.424 nan 4.170 nan 0.000 0.286 335 I C -1.045 175.186 176.117 0.190 0.000 1.002 335 I CA -2.112 59.287 61.300 0.165 0.000 1.135 335 I CB 1.167 39.226 38.000 0.099 0.000 1.288 335 I HN 0.587 8.915 8.210 0.197 0.000 0.448 336 I N 7.976 128.638 120.570 0.154 0.000 2.301 336 I HA 0.279 nan 4.170 nan 0.000 0.292 336 I C -1.838 174.369 176.117 0.149 0.000 1.046 336 I CA -0.309 61.074 61.300 0.138 0.000 1.282 336 I CB 0.226 38.282 38.000 0.094 0.000 1.409 336 I HN 0.573 8.868 8.210 0.141 0.000 0.484 337 L N 7.418 128.747 121.223 0.177 0.000 2.307 337 L HA 0.705 nan 4.340 nan 0.000 0.284 337 L C -2.121 174.816 176.870 0.111 0.000 1.023 337 L CA -1.642 53.291 54.840 0.155 0.000 0.810 337 L CB 2.440 44.612 42.059 0.189 0.000 1.231 337 L HN 0.598 8.957 8.230 0.215 0.000 0.423 338 L N 3.915 125.184 121.223 0.077 0.000 2.334 338 L HA 0.510 nan 4.340 nan 0.000 0.275 338 L C 0.128 177.007 176.870 0.015 0.000 1.036 338 L CA -1.196 53.667 54.840 0.039 0.000 0.807 338 L CB 0.842 42.915 42.059 0.023 0.000 1.231 338 L HN 0.041 8.321 8.230 0.084 0.000 0.438 339 A N 0.803 123.621 122.820 -0.003 0.000 2.774 339 A HA -0.474 nan 4.320 nan 0.000 0.290 339 A C 0.002 177.573 177.584 -0.021 0.000 1.484 339 A CA 1.514 53.533 52.037 -0.031 0.000 0.863 339 A CB -1.581 17.370 19.000 -0.081 0.000 0.989 339 A HN 0.994 9.060 8.150 0.001 0.084 0.554 340 E N -6.355 113.858 120.200 0.022 0.000 2.586 340 E HA -0.468 nan 4.350 nan 0.000 0.259 340 E C 0.051 176.671 176.600 0.033 0.000 1.107 340 E CA 0.700 57.129 56.400 0.047 0.000 0.754 340 E CB -2.087 27.638 29.700 0.043 0.000 1.335 340 E HN 0.562 8.903 8.360 0.037 0.042 0.411 341 G N -4.887 103.924 108.800 0.018 0.000 2.159 341 G HA2 -0.489 nan 3.960 nan 0.000 0.256 341 G HA3 -0.489 nan 3.960 nan 0.000 0.256 341 G C -0.684 174.177 174.900 -0.066 0.000 0.977 341 G CA 0.355 45.461 45.100 0.010 0.000 0.652 341 G HN 0.433 8.605 8.290 0.020 0.130 0.531 342 R N -1.373 119.036 120.500 -0.151 0.000 2.549 342 R HA 0.098 nan 4.340 nan 0.000 0.259 342 R C -0.540 175.495 176.300 -0.442 0.000 1.095 342 R CA -1.882 53.962 56.100 -0.426 0.000 1.148 342 R CB 1.248 31.266 30.300 -0.470 0.000 1.181 342 R HN -0.235 7.769 8.270 -0.104 0.203 0.571 343 L N -0.480 120.310 121.223 -0.721 0.000 2.745 343 L HA -0.268 nan 4.340 nan 0.000 0.273 343 L C 0.947 177.680 176.870 -0.228 0.000 1.156 343 L CA 0.794 55.398 54.840 -0.393 0.000 0.982 343 L CB -1.148 40.693 42.059 -0.364 0.000 1.295 343 L HN 0.064 7.456 8.230 -1.397 0.000 0.483 344 V N 6.111 125.945 119.914 -0.134 0.000 2.490 344 V HA -0.531 nan 4.120 nan 0.000 0.250 344 V C 1.001 177.060 176.094 -0.060 0.000 1.061 344 V CA 3.581 65.833 62.300 -0.079 0.000 1.064 344 V CB -0.023 31.773 31.823 -0.045 0.000 0.670 344 V HN 0.886 9.005 8.190 -0.119 0.000 0.461 345 N N -1.119 117.548 118.700 -0.055 0.000 2.120 345 N HA -0.323 nan 4.740 nan 0.000 0.188 345 N C 2.009 177.491 175.510 -0.045 0.000 1.024 345 N CA 3.076 56.107 53.050 -0.032 0.000 0.852 345 N CB -0.675 37.808 38.487 -0.007 0.000 1.003 345 N HN 0.277 8.608 8.380 -0.061 0.012 0.424 346 L N -1.566 119.614 121.223 -0.072 0.000 2.162 346 L HA -0.069 nan 4.340 nan 0.000 0.205 346 L C 1.769 178.620 176.870 -0.032 0.000 1.086 346 L CA 1.672 56.482 54.840 -0.049 0.000 0.778 346 L CB -0.212 41.831 42.059 -0.026 0.000 0.928 346 L HN -0.694 7.479 8.230 -0.095 0.000 0.446 347 G N -2.167 106.596 108.800 -0.060 0.000 2.430 347 G HA2 -0.152 nan 3.960 nan 0.000 0.216 347 G HA3 -0.152 nan 3.960 nan 0.000 0.216 347 G C 0.341 175.223 174.900 -0.030 0.000 1.146 347 G CA 1.520 46.590 45.100 -0.049 0.000 0.793 347 G HN 0.272 8.399 8.290 -0.096 0.106 0.537 348 C N -1.665 117.619 119.300 -0.028 0.000 3.392 348 C HA 0.389 nan 4.460 nan 0.000 0.301 348 C C -1.215 173.772 174.990 -0.005 0.000 1.354 348 C CA -1.437 57.572 59.018 -0.014 0.000 1.732 348 C CB -0.420 27.310 27.740 -0.016 0.000 2.269 348 C HN -0.168 7.928 8.230 -0.037 0.111 0.673 349 A N -0.297 122.521 122.820 -0.003 0.000 3.822 349 A HA 0.341 nan 4.320 nan 0.000 0.181 349 A C -1.308 176.286 177.584 0.017 0.000 0.902 349 A CA -0.550 51.493 52.037 0.011 0.000 0.825 349 A CB 1.318 20.327 19.000 0.015 0.000 1.447 349 A HN -0.489 7.654 8.150 -0.012 0.000 0.732 350 M N -0.862 118.755 119.600 0.029 0.000 2.496 350 M HA 0.201 nan 4.480 nan 0.000 0.330 350 M C 0.770 177.087 176.300 0.028 0.000 1.133 350 M CA -1.214 54.108 55.300 0.035 0.000 0.964 350 M CB -0.125 32.507 32.600 0.052 0.000 1.401 350 M HN 0.228 8.540 8.290 0.037 0.000 0.520 351 G N -1.227 107.577 108.800 0.006 0.000 2.593 351 G HA2 -0.316 nan 3.960 nan 0.000 0.237 351 G HA3 -0.316 nan 3.960 nan 0.000 0.237 351 G C -0.907 174.031 174.900 0.062 0.000 1.312 351 G CA -0.239 44.831 45.100 -0.049 0.000 0.896 351 G HN -0.645 7.589 8.290 0.005 0.059 0.574 352 H N 1.439 120.536 119.070 0.045 0.000 2.551 352 H HA 0.112 nan 4.556 nan 0.000 0.358 352 H C -1.606 173.762 175.328 0.067 0.000 1.151 352 H CA -2.186 53.899 56.048 0.061 0.000 1.374 352 H CB 0.260 30.059 29.762 0.062 0.000 1.473 352 H HN 0.272 8.482 8.280 -0.117 0.000 0.574 353 P HA 0.076 nan 4.420 nan 0.000 0.271 353 P C 0.253 177.643 177.300 0.149 0.000 1.233 353 P CA -0.092 63.106 63.100 0.163 0.000 0.789 353 P CB 0.885 32.680 31.700 0.159 0.000 0.951 354 S N 1.821 117.598 115.700 0.128 0.000 2.370 354 S HA -0.297 nan 4.470 nan 0.000 0.226 354 S C 1.788 176.433 174.600 0.075 0.000 1.033 354 S CA 4.149 62.401 58.200 0.087 0.000 1.011 354 S CB -0.111 63.142 63.200 0.088 0.000 0.852 354 S HN 0.543 8.929 8.310 0.126 0.000 0.457 355 F N 0.555 120.497 119.950 -0.013 0.000 2.154 355 F HA -0.372 nan 4.527 nan 0.000 0.301 355 F C 1.146 176.834 175.800 -0.186 0.000 1.087 355 F CA 3.546 61.509 58.000 -0.062 0.000 1.274 355 F CB 0.128 39.118 39.000 -0.017 0.000 1.009 355 F HN -0.063 8.410 8.300 0.295 0.004 0.485 356 V N -1.271 118.737 119.914 0.157 0.000 2.427 356 V HA -0.414 nan 4.120 nan 0.000 0.248 356 V C 1.464 177.454 176.094 -0.174 0.000 1.051 356 V CA 3.387 65.737 62.300 0.083 0.000 1.048 356 V CB -0.381 31.573 31.823 0.217 0.000 0.666 356 V HN -0.637 7.684 8.190 0.235 0.010 0.456 357 M N -0.463 119.014 119.600 -0.204 0.000 2.159 357 M HA -0.332 nan 4.480 nan 0.000 0.263 357 M C 2.328 178.254 176.300 -0.623 0.000 1.063 357 M CA 1.011 55.984 55.300 -0.544 0.000 1.110 357 M CB -2.358 29.943 32.600 -0.499 0.000 1.374 357 M HN -0.480 7.687 8.290 -0.077 0.077 0.411 358 S N -0.698 114.783 115.700 -0.366 0.000 2.400 358 S HA -0.380 nan 4.470 nan 0.000 0.232 358 S C 1.767 176.234 174.600 -0.220 0.000 1.025 358 S CA 3.850 61.914 58.200 -0.228 0.000 0.993 358 S CB -0.409 62.652 63.200 -0.232 0.000 0.808 358 S HN 0.449 8.384 8.310 -0.295 0.198 0.478 359 N N 0.584 118.973 118.700 -0.519 0.000 2.173 359 N HA -0.170 nan 4.740 nan 0.000 0.184 359 N C 2.281 177.667 175.510 -0.206 0.000 1.025 359 N CA 3.411 56.144 53.050 -0.529 0.000 0.852 359 N CB 0.153 38.133 38.487 -0.845 0.000 0.998 359 N HN -0.392 7.486 8.380 -0.616 0.133 0.427 360 S N 2.417 117.993 115.700 -0.205 0.000 2.356 360 S HA -0.339 nan 4.470 nan 0.000 0.223 360 S C 2.209 176.884 174.600 0.125 0.000 1.032 360 S CA 3.512 61.676 58.200 -0.060 0.000 1.005 360 S CB 0.015 63.148 63.200 -0.112 0.000 0.867 360 S HN -0.488 7.647 8.310 -0.292 0.000 0.449 361 F N -0.359 119.602 119.950 0.019 0.000 2.146 361 F HA -0.138 nan 4.527 nan 0.000 0.298 361 F C 2.025 177.833 175.800 0.013 0.000 1.096 361 F CA 0.980 58.995 58.000 0.025 0.000 1.275 361 F CB -1.314 37.693 39.000 0.011 0.000 1.008 361 F HN 0.409 8.494 8.300 -0.359 0.000 0.480 362 T N 2.159 116.819 114.554 0.178 0.000 2.803 362 T HA -0.411 nan 4.350 nan 0.000 0.269 362 T C 1.999 176.758 174.700 0.098 0.000 1.052 362 T CA 5.096 67.264 62.100 0.113 0.000 1.136 362 T CB -0.725 68.207 68.868 0.107 0.000 0.864 362 T HN -0.255 8.062 8.240 0.127 0.000 0.467 363 N N 1.202 119.960 118.700 0.096 0.000 2.166 363 N HA -0.312 nan 4.740 nan 0.000 0.186 363 N C 1.710 177.273 175.510 0.089 0.000 1.019 363 N CA 3.786 56.886 53.050 0.083 0.000 0.856 363 N CB -0.000 38.535 38.487 0.080 0.000 0.993 363 N HN -0.334 8.016 8.380 0.089 0.083 0.426 364 Q N 0.497 120.373 119.800 0.127 0.000 2.046 364 Q HA -0.237 nan 4.340 nan 0.000 0.200 364 Q C 2.285 178.322 176.000 0.062 0.000 0.975 364 Q CA 3.529 59.395 55.803 0.105 0.000 0.836 364 Q CB -0.034 28.794 28.738 0.149 0.000 0.896 364 Q HN -0.497 7.760 8.270 0.177 0.119 0.428 365 V N 1.361 121.311 119.914 0.060 0.000 2.332 365 V HA -0.500 nan 4.120 nan 0.000 0.248 365 V C 2.195 178.285 176.094 -0.007 0.000 1.055 365 V CA 4.809 67.119 62.300 0.017 0.000 1.038 365 V CB -0.990 30.841 31.823 0.014 0.000 0.651 365 V HN 0.359 8.603 8.190 0.091 0.000 0.450 366 M N -1.442 118.163 119.600 0.008 0.000 2.073 366 M HA -0.462 nan 4.480 nan 0.000 0.258 366 M C 2.160 178.460 176.300 0.000 0.000 1.070 366 M CA 2.624 57.923 55.300 -0.002 0.000 1.103 366 M CB -1.744 30.873 32.600 0.028 0.000 1.321 366 M HN 0.140 8.450 8.290 0.034 0.000 0.405 367 A N -1.897 120.928 122.820 0.008 0.000 1.908 367 A HA -0.389 nan 4.320 nan 0.000 0.218 367 A C 2.253 179.832 177.584 -0.007 0.000 1.181 367 A CA 3.190 55.219 52.037 -0.013 0.000 0.627 367 A CB -1.021 17.972 19.000 -0.012 0.000 0.818 367 A HN -0.142 8.022 8.150 0.023 0.000 0.445 368 Q N -0.880 118.923 119.800 0.004 0.000 1.993 368 Q HA -0.306 nan 4.340 nan 0.000 0.202 368 Q C 2.427 178.470 176.000 0.071 0.000 0.984 368 Q CA 2.980 58.791 55.803 0.014 0.000 0.837 368 Q CB -0.312 28.417 28.738 -0.016 0.000 0.902 368 Q HN -0.324 7.949 8.270 0.005 0.000 0.423 369 I N -0.180 120.411 120.570 0.034 0.000 2.151 369 I HA -0.612 nan 4.170 nan 0.000 0.243 369 I C 2.062 178.262 176.117 0.138 0.000 1.080 369 I CA 4.033 65.367 61.300 0.057 0.000 1.339 369 I CB -0.329 37.609 38.000 -0.104 0.000 1.039 369 I HN 0.203 8.408 8.210 -0.009 0.000 0.409 370 E N -0.426 119.846 120.200 0.119 0.000 2.047 370 E HA -0.283 nan 4.350 nan 0.000 0.191 370 E C 3.115 179.890 176.600 0.291 0.000 0.987 370 E CA 3.445 59.979 56.400 0.223 0.000 0.799 370 E CB 0.042 29.806 29.700 0.106 0.000 0.752 370 E HN -0.561 7.834 8.360 0.059 0.000 0.449 371 L N -0.407 120.892 121.223 0.127 0.000 2.017 371 L HA -0.313 nan 4.340 nan 0.000 0.208 371 L C 2.706 179.706 176.870 0.217 0.000 1.073 371 L CA 2.944 57.848 54.840 0.108 0.000 0.745 371 L CB -0.149 41.911 42.059 0.002 0.000 0.894 371 L HN -0.207 8.058 8.230 0.059 0.000 0.432 372 W N -0.234 121.073 121.300 0.011 0.000 2.363 372 W HA -0.377 nan 4.660 nan 0.000 0.296 372 W C 1.014 177.515 176.519 -0.031 0.000 1.212 372 W CA 3.027 60.361 57.345 -0.018 0.000 1.260 372 W CB 0.534 29.968 29.460 -0.042 0.000 1.131 372 W HN -0.060 8.323 8.180 0.338 0.000 0.530 373 T N -3.161 111.317 114.554 -0.126 0.000 3.129 373 T HA -0.074 nan 4.350 nan 0.000 0.251 373 T C -0.096 174.240 174.700 -0.607 0.000 1.117 373 T CA 1.497 63.352 62.100 -0.409 0.000 1.034 373 T CB -0.258 68.446 68.868 -0.273 0.000 0.968 373 T HN -0.530 7.708 8.240 0.132 0.082 0.526 374 H N 0.237 119.263 119.070 -0.074 0.000 2.511 374 H HA 0.446 nan 4.556 nan 0.000 0.228 374 H C -1.795 173.525 175.328 -0.014 0.000 1.424 374 H CA -2.571 53.458 56.048 -0.032 0.000 1.321 374 H CB -0.143 29.648 29.762 0.048 0.000 1.720 374 H HN -0.753 7.383 8.280 0.048 0.173 0.512 375 P HA -0.239 nan 4.420 nan 0.000 0.215 375 P C -0.125 177.183 177.300 0.012 0.000 1.157 375 P CA 1.852 64.933 63.100 -0.032 0.000 0.874 375 P CB 0.090 31.710 31.700 -0.133 0.000 0.790 376 D N -1.105 119.287 120.400 -0.013 0.000 3.110 376 D HA 0.105 nan 4.640 nan 0.000 0.254 376 D C -0.761 175.514 176.300 -0.041 0.000 1.283 376 D CA 0.484 54.473 54.000 -0.019 0.000 0.944 376 D CB -1.484 39.296 40.800 -0.033 0.000 1.066 376 D HN 0.190 8.540 8.370 -0.035 0.000 0.496 377 K N -0.811 119.554 120.400 -0.058 0.000 2.556 377 K HA 0.028 nan 4.320 nan 0.000 0.201 377 K C -0.512 175.786 176.600 -0.503 0.000 1.423 377 K CA 0.680 56.806 56.287 -0.267 0.000 1.010 377 K CB 2.487 34.798 32.500 -0.315 0.000 1.409 377 K HN -0.546 7.648 8.250 0.018 0.067 0.538 378 Y N 0.886 121.130 120.300 -0.093 0.000 2.342 378 Y HA 0.329 nan 4.550 nan 0.000 0.338 378 Y C -2.107 173.794 175.900 0.002 0.000 0.965 378 Y CA -2.861 55.136 58.100 -0.172 0.000 1.159 378 Y CB -0.137 38.172 38.460 -0.252 0.000 1.157 378 Y HN -0.318 8.018 8.280 0.093 0.000 0.486 379 P HA 0.081 nan 4.420 nan 0.000 0.274 379 P C -1.368 176.107 177.300 0.292 0.000 1.246 379 P CA -0.683 62.540 63.100 0.205 0.000 0.795 379 P CB 0.643 32.455 31.700 0.187 0.000 1.006 380 V N 0.903 120.918 119.914 0.168 0.000 2.434 380 V HA -0.039 nan 4.120 nan 0.000 0.281 380 V C -0.095 176.050 176.094 0.086 0.000 1.005 380 V CA 1.807 64.186 62.300 0.132 0.000 1.089 380 V CB -1.371 30.502 31.823 0.084 0.000 0.978 380 V HN 0.260 8.524 8.190 0.124 0.000 0.474 381 G N 5.051 113.872 108.800 0.035 0.000 2.322 381 G HA2 -0.074 nan 3.960 nan 0.000 0.295 381 G HA3 -0.074 nan 3.960 nan 0.000 0.295 381 G C -3.406 171.291 174.900 -0.338 0.000 1.369 381 G CA 0.248 45.239 45.100 -0.182 0.000 0.821 381 G HN -0.398 7.955 8.290 0.105 0.000 0.536 382 V N 0.741 120.398 119.914 -0.429 0.000 2.311 382 V HA 0.681 nan 4.120 nan 0.000 0.275 382 V C -1.368 174.445 176.094 -0.469 0.000 1.022 382 V CA -2.009 60.023 62.300 -0.446 0.000 0.830 382 V CB 0.283 31.702 31.823 -0.673 0.000 1.012 382 V HN 0.015 8.002 8.190 -0.339 0.000 0.452 383 H N 8.428 127.419 119.070 -0.132 0.000 2.517 383 H HA 0.313 nan 4.556 nan 0.000 0.346 383 H C -0.876 174.387 175.328 -0.108 0.000 1.222 383 H CA -1.959 54.055 56.048 -0.057 0.000 1.314 383 H CB 3.006 32.843 29.762 0.126 0.000 1.609 383 H HN 0.706 8.869 8.280 -0.024 0.103 0.571 384 F N -1.777 118.309 119.950 0.227 0.000 2.408 384 F HA 0.250 nan 4.527 nan 0.000 0.325 384 F C -0.918 174.948 175.800 0.111 0.000 1.082 384 F CA -0.828 57.259 58.000 0.145 0.000 1.032 384 F CB 1.294 40.383 39.000 0.149 0.000 1.259 384 F HN 0.060 8.636 8.300 0.461 0.000 0.503 385 L N 1.897 123.300 121.223 0.301 0.000 2.360 385 L HA 0.187 nan 4.340 nan 0.000 0.276 385 L C -1.543 175.420 176.870 0.154 0.000 1.121 385 L CA -2.310 52.627 54.840 0.162 0.000 0.845 385 L CB 0.478 42.607 42.059 0.115 0.000 1.143 385 L HN -0.061 8.379 8.230 0.350 0.000 0.452 386 P HA 0.003 nan 4.420 nan 0.000 0.263 386 P C 0.066 177.406 177.300 0.067 0.000 1.175 386 P CA 0.133 63.293 63.100 0.099 0.000 0.761 386 P CB 0.577 32.320 31.700 0.071 0.000 0.794 387 K N 5.336 125.767 120.400 0.053 0.000 2.152 387 K HA -0.434 nan 4.320 nan 0.000 0.206 387 K C 1.916 178.529 176.600 0.022 0.000 1.048 387 K CA 3.933 60.247 56.287 0.045 0.000 0.933 387 K CB 0.121 32.651 32.500 0.050 0.000 0.721 387 K HN 0.635 8.918 8.250 0.055 0.000 0.447 388 K N -1.768 118.628 120.400 -0.007 0.000 2.209 388 K HA -0.226 nan 4.320 nan 0.000 0.204 388 K C 2.036 178.645 176.600 0.015 0.000 1.048 388 K CA 2.782 59.051 56.287 -0.030 0.000 0.940 388 K CB -0.383 32.082 32.500 -0.059 0.000 0.729 388 K HN 0.132 8.362 8.250 -0.008 0.015 0.451 389 L N -1.866 119.376 121.223 0.032 0.000 2.131 389 L HA -0.305 nan 4.340 nan 0.000 0.206 389 L C 1.724 178.626 176.870 0.053 0.000 1.087 389 L CA 2.660 57.529 54.840 0.047 0.000 0.767 389 L CB -0.479 41.607 42.059 0.046 0.000 0.917 389 L HN -0.235 7.874 8.230 0.031 0.140 0.441 390 D N -0.022 120.408 120.400 0.049 0.000 2.084 390 D HA -0.315 nan 4.640 nan 0.000 0.194 390 D C 2.296 178.622 176.300 0.043 0.000 0.990 390 D CA 3.828 57.853 54.000 0.041 0.000 0.826 390 D CB -0.053 40.765 40.800 0.030 0.000 0.971 390 D HN -0.322 7.999 8.370 0.049 0.078 0.453 391 E N -0.927 119.305 120.200 0.053 0.000 2.118 391 E HA -0.353 nan 4.350 nan 0.000 0.195 391 E C 2.362 179.021 176.600 0.098 0.000 0.992 391 E CA 2.665 59.117 56.400 0.087 0.000 0.804 391 E CB -0.257 29.513 29.700 0.117 0.000 0.741 391 E HN 0.251 8.533 8.360 0.048 0.107 0.458 392 A N -0.712 122.158 122.820 0.083 0.000 1.902 392 A HA -0.142 nan 4.320 nan 0.000 0.217 392 A C 2.095 179.740 177.584 0.101 0.000 1.181 392 A CA 3.054 55.147 52.037 0.094 0.000 0.623 392 A CB -0.663 18.392 19.000 0.093 0.000 0.818 392 A HN -0.184 7.807 8.150 0.067 0.200 0.443 393 V N -2.360 117.610 119.914 0.093 0.000 2.548 393 V HA -0.320 nan 4.120 nan 0.000 0.249 393 V C 1.227 177.421 176.094 0.167 0.000 1.055 393 V CA 2.639 65.007 62.300 0.115 0.000 1.065 393 V CB -1.000 30.873 31.823 0.083 0.000 0.681 393 V HN 0.051 8.197 8.190 0.078 0.091 0.462 394 A N 0.463 123.351 122.820 0.113 0.000 1.877 394 A HA -0.351 nan 4.320 nan 0.000 0.216 394 A C 2.090 179.776 177.584 0.170 0.000 1.186 394 A CA 3.447 55.556 52.037 0.120 0.000 0.620 394 A CB -0.795 18.261 19.000 0.094 0.000 0.822 394 A HN -0.016 8.084 8.150 0.088 0.102 0.443 395 E N -0.460 119.822 120.200 0.137 0.000 2.153 395 E HA -0.301 nan 4.350 nan 0.000 0.194 395 E C 2.381 179.028 176.600 0.078 0.000 0.988 395 E CA 2.460 58.928 56.400 0.113 0.000 0.811 395 E CB -0.082 29.680 29.700 0.104 0.000 0.746 395 E HN -0.046 8.390 8.360 0.126 0.000 0.466 396 A N -2.138 120.713 122.820 0.051 0.000 2.076 396 A HA -0.188 nan 4.320 nan 0.000 0.220 396 A C 1.344 178.781 177.584 -0.244 0.000 1.160 396 A CA 2.459 54.438 52.037 -0.096 0.000 0.653 396 A CB -0.462 18.445 19.000 -0.155 0.000 0.801 396 A HN -0.512 7.692 8.150 0.091 0.000 0.455 397 H N -5.795 113.244 119.070 -0.051 0.000 2.547 397 H HA 0.123 nan 4.556 nan 0.000 0.272 397 H C -0.226 175.159 175.328 0.097 0.000 0.971 397 H CA 0.880 56.910 56.048 -0.031 0.000 1.245 397 H CB 0.341 30.017 29.762 -0.144 0.000 1.440 397 H HN -0.585 7.646 8.280 0.187 0.160 0.540 398 L N -1.788 119.537 121.223 0.171 0.000 2.461 398 L HA -0.265 nan 4.340 nan 0.000 0.272 398 L C 1.747 178.668 176.870 0.085 0.000 1.197 398 L CA 1.486 56.404 54.840 0.130 0.000 0.836 398 L CB -0.304 41.813 42.059 0.097 0.000 1.105 398 L HN -0.884 7.322 8.230 0.152 0.115 0.477 399 G N 1.866 110.709 108.800 0.072 0.000 3.349 399 G HA2 -0.340 nan 3.960 nan 0.000 0.202 399 G HA3 -0.340 nan 3.960 nan 0.000 0.202 399 G C 1.029 175.963 174.900 0.056 0.000 1.588 399 G CA 0.564 45.691 45.100 0.045 0.000 1.198 399 G HN 0.043 8.378 8.290 0.074 0.000 0.588 400 K N 3.896 124.347 120.400 0.085 0.000 2.148 400 K HA -0.149 nan 4.320 nan 0.000 0.204 400 K C 1.129 177.787 176.600 0.096 0.000 1.050 400 K CA 2.198 58.548 56.287 0.105 0.000 0.942 400 K CB 0.102 32.715 32.500 0.189 0.000 0.724 400 K HN -0.454 7.808 8.250 0.090 0.042 0.446 401 L N -4.376 116.917 121.223 0.116 0.000 2.551 401 L HA -0.124 nan 4.340 nan 0.000 0.228 401 L C -0.511 176.377 176.870 0.030 0.000 1.153 401 L CA 0.546 55.421 54.840 0.058 0.000 0.851 401 L CB 0.206 42.318 42.059 0.088 0.000 0.959 401 L HN -0.535 7.833 8.230 0.161 -0.041 0.451 402 N N -4.074 114.647 118.700 0.035 0.000 2.776 402 N HA -0.309 nan 4.740 nan 0.000 0.249 402 N C -1.302 174.221 175.510 0.022 0.000 1.111 402 N CA 0.982 54.044 53.050 0.021 0.000 0.711 402 N CB -1.226 37.266 38.487 0.009 0.000 1.065 402 N HN -0.318 7.868 8.380 0.046 0.222 0.556 403 V N -0.355 119.579 119.914 0.034 0.000 2.439 403 V HA 0.136 nan 4.120 nan 0.000 0.282 403 V C -0.278 175.834 176.094 0.028 0.000 1.039 403 V CA -0.485 61.835 62.300 0.033 0.000 0.913 403 V CB 0.926 32.778 31.823 0.050 0.000 0.983 403 V HN -0.398 7.803 8.190 0.045 0.015 0.460 404 K N 7.098 127.509 120.400 0.019 0.000 2.354 404 K HA 0.112 nan 4.320 nan 0.000 0.257 404 K C -1.150 175.456 176.600 0.010 0.000 1.062 404 K CA -0.885 55.411 56.287 0.014 0.000 0.971 404 K CB 0.343 32.848 32.500 0.008 0.000 1.305 404 K HN 0.198 8.458 8.250 0.016 0.000 0.449 405 L N 5.903 127.135 121.223 0.015 0.000 2.416 405 L HA 0.011 nan 4.340 nan 0.000 0.272 405 L C 0.051 176.916 176.870 -0.008 0.000 1.161 405 L CA 0.361 55.204 54.840 0.005 0.000 0.845 405 L CB 1.061 43.133 42.059 0.021 0.000 1.119 405 L HN 0.066 8.309 8.230 0.022 0.000 0.464 406 T N 2.012 116.548 114.554 -0.031 0.000 2.907 406 T HA 0.125 nan 4.350 nan 0.000 0.284 406 T C -0.255 174.415 174.700 -0.050 0.000 1.004 406 T CA -0.927 61.152 62.100 -0.034 0.000 1.063 406 T CB 0.969 69.814 68.868 -0.037 0.000 0.992 406 T HN -0.117 8.096 8.240 -0.045 0.000 0.483 407 K N 2.165 122.550 120.400 -0.025 0.000 2.213 407 K HA 0.103 nan 4.320 nan 0.000 0.270 407 K C -0.555 176.037 176.600 -0.013 0.000 1.002 407 K CA -0.935 55.346 56.287 -0.010 0.000 0.868 407 K CB 1.039 33.552 32.500 0.021 0.000 1.093 407 K HN 0.172 8.413 8.250 -0.015 0.000 0.454 408 L N 3.351 124.565 121.223 -0.016 0.000 2.499 408 L HA -0.012 nan 4.340 nan 0.000 0.273 408 L C 0.776 177.665 176.870 0.032 0.000 1.195 408 L CA 0.192 55.033 54.840 0.002 0.000 0.882 408 L CB 0.565 42.640 42.059 0.027 0.000 1.133 408 L HN 0.210 8.427 8.230 -0.022 0.000 0.483 409 T N 3.753 118.321 114.554 0.022 0.000 2.726 409 T HA 0.003 nan 4.350 nan 0.000 0.294 409 T C 0.713 175.437 174.700 0.041 0.000 1.013 409 T CA -0.784 61.331 62.100 0.025 0.000 0.996 409 T CB 1.325 70.201 68.868 0.013 0.000 1.016 409 T HN 0.105 8.622 8.240 0.011 -0.270 0.529 410 E N 0.869 121.091 120.200 0.037 0.000 2.204 410 E HA -0.168 nan 4.350 nan 0.000 0.194 410 E C 2.385 179.014 176.600 0.049 0.000 0.989 410 E CA 3.036 59.462 56.400 0.043 0.000 0.824 410 E CB -0.618 29.102 29.700 0.035 0.000 0.756 410 E HN 0.277 8.654 8.360 0.029 0.000 0.477 411 K N -1.416 119.008 120.400 0.040 0.000 2.031 411 K HA -0.252 nan 4.320 nan 0.000 0.205 411 K C 2.234 178.880 176.600 0.078 0.000 1.049 411 K CA 3.096 59.411 56.287 0.047 0.000 0.939 411 K CB -0.389 32.122 32.500 0.019 0.000 0.717 411 K HN -0.025 8.227 8.250 0.029 0.016 0.438 412 Q N -0.954 118.882 119.800 0.060 0.000 2.096 412 Q HA -0.335 nan 4.340 nan 0.000 0.204 412 Q C 2.412 178.495 176.000 0.139 0.000 0.982 412 Q CA 3.003 58.861 55.803 0.092 0.000 0.850 412 Q CB -0.133 28.631 28.738 0.043 0.000 0.901 412 Q HN -0.371 7.920 8.270 0.035 0.000 0.422 413 A N -0.847 122.036 122.820 0.104 0.000 1.908 413 A HA -0.367 nan 4.320 nan 0.000 0.218 413 A C 2.275 179.921 177.584 0.102 0.000 1.181 413 A CA 3.317 55.420 52.037 0.110 0.000 0.627 413 A CB -1.006 18.054 19.000 0.100 0.000 0.818 413 A HN 0.329 8.529 8.150 0.082 0.000 0.445 414 Q N -1.907 117.952 119.800 0.099 0.000 2.119 414 Q HA -0.282 nan 4.340 nan 0.000 0.201 414 Q C 2.050 178.117 176.000 0.111 0.000 0.972 414 Q CA 2.660 58.515 55.803 0.087 0.000 0.847 414 Q CB 0.203 28.986 28.738 0.075 0.000 0.903 414 Q HN -0.388 7.867 8.270 0.094 0.072 0.433 415 Y N -0.239 120.072 120.300 0.018 0.000 2.200 415 Y HA -0.260 nan 4.550 nan 0.000 0.290 415 Y C 0.682 176.592 175.900 0.017 0.000 1.137 415 Y CA 2.691 60.799 58.100 0.014 0.000 1.163 415 Y CB 0.561 39.027 38.460 0.010 0.000 0.988 415 Y HN -0.141 8.094 8.280 0.246 0.193 0.518 416 L N -3.101 118.172 121.223 0.084 0.000 2.395 416 L HA -0.059 nan 4.340 nan 0.000 0.218 416 L C 0.678 177.531 176.870 -0.028 0.000 1.130 416 L CA 0.567 55.404 54.840 -0.005 0.000 0.826 416 L CB 0.566 42.682 42.059 0.094 0.000 0.941 416 L HN 0.070 8.313 8.230 0.200 0.108 0.451 417 G N -0.865 107.933 108.800 -0.003 0.000 2.298 417 G HA2 -0.359 nan 3.960 nan 0.000 0.287 417 G HA3 -0.359 nan 3.960 nan 0.000 0.287 417 G C -0.971 173.939 174.900 0.016 0.000 1.075 417 G CA 0.266 45.363 45.100 -0.005 0.000 0.960 417 G HN -0.253 7.896 8.290 0.027 0.157 0.502 418 M N -2.095 117.535 119.600 0.050 0.000 2.520 418 M HA 0.406 nan 4.480 nan 0.000 0.283 418 M C -3.179 173.165 176.300 0.075 0.000 1.237 418 M CA -2.355 52.981 55.300 0.060 0.000 0.885 418 M CB 1.651 34.322 32.600 0.119 0.000 1.727 418 M HN -0.378 7.952 8.290 0.066 0.000 0.468 419 P HA 0.170 nan 4.420 nan 0.000 0.271 419 P C -0.058 177.304 177.300 0.104 0.000 1.218 419 P CA -0.618 62.497 63.100 0.025 0.000 0.780 419 P CB 0.523 32.197 31.700 -0.043 0.000 0.901 420 I N 0.198 120.843 120.570 0.124 0.000 2.264 420 I HA -0.444 nan 4.170 nan 0.000 0.248 420 I C 1.121 177.417 176.117 0.299 0.000 1.111 420 I CA 3.325 64.748 61.300 0.205 0.000 1.382 420 I CB -0.132 37.943 38.000 0.125 0.000 1.060 420 I HN 0.451 8.710 8.210 0.083 0.000 0.418 421 N N -2.438 116.328 118.700 0.110 0.000 2.397 421 N HA 0.034 nan 4.740 nan 0.000 0.190 421 N C 0.430 175.759 175.510 -0.302 0.000 1.099 421 N CA -0.074 52.997 53.050 0.035 0.000 0.876 421 N CB -0.035 38.471 38.487 0.031 0.000 1.143 421 N HN -0.130 8.262 8.380 0.053 0.019 0.468 422 G N 0.938 109.565 108.800 -0.288 0.000 2.794 422 G HA2 -0.098 nan 3.960 nan 0.000 0.249 422 G HA3 -0.098 nan 3.960 nan 0.000 0.249 422 G C -2.201 172.270 174.900 -0.715 0.000 1.236 422 G CA -0.713 44.178 45.100 -0.348 0.000 0.880 422 G HN -0.493 7.628 8.290 -0.144 0.083 0.586 423 P HA -0.182 nan 4.420 nan 0.000 0.266 423 P C -1.542 175.465 177.300 -0.488 0.000 1.193 423 P CA 0.419 63.263 63.100 -0.426 0.000 0.770 423 P CB 0.185 31.782 31.700 -0.172 0.000 0.836 424 F N 0.125 120.065 119.950 -0.018 0.000 2.682 424 F HA 0.051 nan 4.527 nan 0.000 0.308 424 F C -0.200 175.510 175.800 -0.150 0.000 1.093 424 F CA 0.284 58.248 58.000 -0.060 0.000 1.244 424 F CB 0.979 39.955 39.000 -0.041 0.000 1.052 424 F HN 0.266 8.844 8.300 -0.096 -0.335 0.573 425 K N -1.591 118.793 120.400 -0.027 0.000 2.508 425 K HA 0.412 nan 4.320 nan 0.000 0.260 425 K C -2.437 174.077 176.600 -0.144 0.000 0.949 425 K CA -3.072 53.080 56.287 -0.224 0.000 0.834 425 K CB 2.053 34.275 32.500 -0.463 0.000 1.365 425 K HN -0.517 7.727 8.250 -0.010 0.000 0.437 426 P HA 0.194 nan 4.420 nan 0.000 0.276 426 P C -0.078 177.114 177.300 -0.179 0.000 1.252 426 P CA -0.771 62.210 63.100 -0.198 0.000 0.802 426 P CB 0.883 32.372 31.700 -0.352 0.000 1.035 427 D N -0.777 119.574 120.400 -0.082 0.000 2.263 427 D HA -0.240 nan 4.640 nan 0.000 0.208 427 D C 1.381 177.670 176.300 -0.019 0.000 0.971 427 D CA 2.557 56.544 54.000 -0.021 0.000 0.867 427 D CB -0.421 40.393 40.800 0.024 0.000 0.929 427 D HN 0.474 8.821 8.370 -0.038 0.000 0.492 428 H N -4.602 114.494 119.070 0.043 0.000 2.533 428 H HA 0.019 nan 4.556 nan 0.000 0.271 428 H C -0.568 174.771 175.328 0.018 0.000 1.000 428 H CA -0.835 55.224 56.048 0.019 0.000 1.149 428 H CB -1.112 28.657 29.762 0.013 0.000 1.375 428 H HN -0.322 7.762 8.280 -0.266 0.037 0.582 429 Y N 2.958 123.045 120.300 -0.355 0.000 2.496 429 Y HA -0.238 nan 4.550 nan 0.000 0.334 429 Y C -0.991 174.781 175.900 -0.213 0.000 1.080 429 Y CA 0.861 58.753 58.100 -0.348 0.000 1.355 429 Y CB 0.041 38.181 38.460 -0.535 0.000 1.193 429 Y HN -0.520 7.484 8.280 -0.152 0.185 0.523 430 R N 6.414 126.575 120.500 -0.564 0.000 2.294 430 R HA 0.195 nan 4.340 nan 0.000 0.319 430 R C -1.049 174.907 176.300 -0.572 0.000 0.984 430 R CA -0.877 55.053 56.100 -0.284 0.000 0.861 430 R CB 1.273 31.463 30.300 -0.184 0.000 1.104 430 R HN 0.302 8.141 8.270 -0.718 0.000 0.451 431 Y N 0.000 120.166 120.300 -0.223 0.000 2.660 431 Y HA 0.000 nan 4.550 nan 0.000 0.201 431 Y CA 0.000 58.040 58.100 -0.099 0.000 1.940 431 Y CB 0.000 38.547 38.460 0.146 0.000 1.050 431 Y HN 0.000 8.521 8.280 0.402 0.000 0.758