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 2qfc_1_B DATA FIRST_RESID 3 DATA SEQUENCE AEKLGSEIKK IRVLRGLTQK QLSENICHQS EVSRIESGAV YPSMDILQGI DATA SEQUENCE AAKLQIPIIH FYEVLIYSDI ERKKQFKDQV IMLCKQKRYK EIYNKVWNEL DATA SEQUENCE KKEEYHPEFQ QFLQWQYYVA AYVLKKVDYE YCILELKKLL NQQLTGIDVY DATA SEQUENCE QNLYIENAIA NIYAENGYLK KGIDLFEQIL KQLEALHDNE EFDVKVRYNH DATA SEQUENCE AKALYLDSRY EESLYQVNKA IEISCRINSM ALIGQLYYQR GECLRKLEYE DATA SEQUENCE EAEIEDAYKK ASFFFDILEM HAYKEALVNK ISRL 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.513 177.584 -0.119 0.000 1.274 3 A CA 0.000 51.920 52.037 -0.195 0.000 0.836 3 A CB 0.000 18.736 19.000 -0.440 0.000 0.831 4 E N 0.609 120.770 120.200 -0.065 0.000 2.465 4 E HA 0.166 4.512 4.350 -0.007 0.000 0.191 4 E C 1.349 177.947 176.600 -0.004 0.000 1.053 4 E CA 0.097 56.466 56.400 -0.051 0.000 0.869 4 E CB 0.227 29.896 29.700 -0.051 0.000 0.977 4 E HN 0.562 nan 8.360 nan 0.000 0.483 5 K N 0.382 120.802 120.400 0.033 0.000 2.044 5 K HA -0.054 4.262 4.320 -0.007 0.000 0.204 5 K C 1.963 178.579 176.600 0.027 0.000 1.045 5 K CA 0.351 56.660 56.287 0.036 0.000 0.951 5 K CB -0.016 32.514 32.500 0.051 0.000 0.738 5 K HN 0.055 nan 8.250 nan 0.000 0.443 6 L N 1.147 122.396 121.223 0.044 0.000 2.034 6 L HA -0.201 4.135 4.340 -0.007 0.000 0.217 6 L C 1.933 178.742 176.870 -0.102 0.000 1.077 6 L CA 2.398 57.218 54.840 -0.033 0.000 0.769 6 L CB -1.093 40.971 42.059 0.008 0.000 0.890 6 L HN 0.256 nan 8.230 nan 0.000 0.435 7 G N -1.390 107.378 108.800 -0.053 0.000 2.484 7 G HA2 -0.302 3.653 3.960 -0.007 0.000 0.215 7 G HA3 -0.302 3.653 3.960 -0.007 0.000 0.215 7 G C 1.522 176.399 174.900 -0.037 0.000 1.219 7 G CA 1.230 46.291 45.100 -0.064 0.000 0.791 7 G HN 0.612 nan 8.290 nan 0.000 0.550 8 S N 0.551 116.244 115.700 -0.012 0.000 2.515 8 S HA -0.018 4.447 4.470 -0.007 0.000 0.231 8 S C 1.917 176.537 174.600 0.033 0.000 0.987 8 S CA 1.653 59.857 58.200 0.007 0.000 0.936 8 S CB 0.120 63.325 63.200 0.008 0.000 0.766 8 S HN 0.472 nan 8.310 nan 0.000 0.528 9 E N 1.833 122.062 120.200 0.049 0.000 2.170 9 E HA 0.122 4.467 4.350 -0.007 0.000 0.191 9 E C 1.649 178.357 176.600 0.180 0.000 0.981 9 E CA 0.787 57.260 56.400 0.122 0.000 0.830 9 E CB -0.584 29.209 29.700 0.155 0.000 0.775 9 E HN 0.634 nan 8.360 nan 0.000 0.470 10 I N 0.568 121.186 120.570 0.079 0.000 2.454 10 I HA -0.221 3.945 4.170 -0.007 0.000 0.254 10 I C 2.395 178.551 176.117 0.064 0.000 1.156 10 I CA 1.111 62.442 61.300 0.052 0.000 1.433 10 I CB -0.173 37.731 38.000 -0.160 0.000 1.082 10 I HN 0.134 nan 8.210 nan 0.000 0.432 11 K N 1.493 121.917 120.400 0.041 0.000 1.980 11 K HA -0.157 4.159 4.320 -0.007 0.000 0.208 11 K C 2.130 178.759 176.600 0.047 0.000 1.043 11 K CA 1.267 57.574 56.287 0.034 0.000 0.938 11 K CB -0.018 32.493 32.500 0.018 0.000 0.724 11 K HN -0.007 nan 8.250 nan 0.000 0.438 12 K N 0.373 120.806 120.400 0.054 0.000 2.144 12 K HA -0.199 4.116 4.320 -0.007 0.000 0.209 12 K C 2.049 178.681 176.600 0.053 0.000 1.047 12 K CA 2.041 58.359 56.287 0.051 0.000 0.927 12 K CB -0.230 32.305 32.500 0.058 0.000 0.716 12 K HN 0.267 nan 8.250 nan 0.000 0.454 13 I N -0.101 120.516 120.570 0.078 0.000 2.235 13 I HA -0.212 3.954 4.170 -0.007 0.000 0.241 13 I C 2.645 178.792 176.117 0.049 0.000 1.085 13 I CA 0.672 62.011 61.300 0.065 0.000 1.378 13 I CB -0.286 37.777 38.000 0.105 0.000 1.076 13 I HN 0.135 nan 8.210 nan 0.000 0.415 14 R N 1.192 121.728 120.500 0.061 0.000 2.103 14 R HA -0.181 4.155 4.340 -0.007 0.000 0.242 14 R C 2.262 178.577 176.300 0.025 0.000 1.142 14 R CA 1.821 57.946 56.100 0.042 0.000 0.960 14 R CB -0.351 29.973 30.300 0.040 0.000 0.858 14 R HN 0.203 nan 8.270 nan 0.000 0.439 15 V N 1.101 121.030 119.914 0.025 0.000 2.287 15 V HA -0.220 3.896 4.120 -0.007 0.000 0.248 15 V C 1.878 177.979 176.094 0.012 0.000 1.053 15 V CA 1.506 63.816 62.300 0.017 0.000 1.027 15 V CB -0.264 31.569 31.823 0.017 0.000 0.646 15 V HN 0.287 nan 8.190 nan 0.000 0.447 16 L N -0.164 121.066 121.223 0.013 0.000 2.928 16 L HA 0.261 4.596 4.340 -0.007 0.000 0.236 16 L C 1.633 178.502 176.870 -0.002 0.000 1.290 16 L CA 0.062 54.904 54.840 0.004 0.000 1.099 16 L CB 0.047 42.107 42.059 0.002 0.000 1.437 16 L HN 0.137 nan 8.230 nan 0.000 0.493 17 R N 0.067 120.568 120.500 0.001 0.000 2.444 17 R HA 0.310 4.646 4.340 -0.007 0.000 0.201 17 R C 0.858 177.157 176.300 -0.002 0.000 0.861 17 R CA 0.809 56.906 56.100 -0.004 0.000 1.034 17 R CB 0.622 30.922 30.300 -0.001 0.000 1.347 17 R HN 0.095 nan 8.270 nan 0.000 0.659 18 G N 1.019 109.820 108.800 0.002 0.000 2.288 18 G HA2 -0.117 3.838 3.960 -0.007 0.000 0.205 18 G HA3 -0.117 3.838 3.960 -0.007 0.000 0.205 18 G C -1.108 173.794 174.900 0.002 0.000 1.071 18 G CA 0.144 45.245 45.100 0.002 0.000 0.788 18 G HN 0.111 nan 8.290 nan 0.000 0.491 19 L N 1.289 122.515 121.223 0.005 0.000 2.491 19 L HA 0.552 4.887 4.340 -0.007 0.000 0.267 19 L C 0.854 177.729 176.870 0.007 0.000 0.971 19 L CA -0.057 54.786 54.840 0.005 0.000 0.857 19 L CB 1.809 43.871 42.059 0.006 0.000 1.226 19 L HN 0.502 nan 8.230 nan 0.000 0.408 20 T N -1.056 113.501 114.554 0.004 0.000 2.855 20 T HA 0.041 4.386 4.350 -0.007 0.000 0.322 20 T C 1.149 175.852 174.700 0.005 0.000 1.088 20 T CA 0.454 62.557 62.100 0.005 0.000 1.104 20 T CB 0.756 69.625 68.868 0.002 0.000 0.996 20 T HN 0.781 nan 8.240 nan 0.000 0.549 21 Q N 1.537 121.340 119.800 0.006 0.000 2.291 21 Q HA -0.111 4.225 4.340 -0.007 0.000 0.205 21 Q C 1.935 177.936 176.000 0.002 0.000 0.970 21 Q CA 1.221 57.027 55.803 0.005 0.000 0.876 21 Q CB -0.211 28.530 28.738 0.005 0.000 0.935 21 Q HN 0.823 nan 8.270 nan 0.000 0.455 22 K N 0.632 121.033 120.400 0.001 0.000 2.062 22 K HA -0.096 4.220 4.320 -0.007 0.000 0.205 22 K C 2.163 178.757 176.600 -0.011 0.000 1.051 22 K CA 1.446 57.730 56.287 -0.004 0.000 0.941 22 K CB 0.006 32.505 32.500 -0.002 0.000 0.719 22 K HN 0.333 nan 8.250 nan 0.000 0.440 23 Q N 0.342 120.139 119.800 -0.006 0.000 2.364 23 Q HA -0.084 4.251 4.340 -0.007 0.000 0.207 23 Q C 1.489 177.486 176.000 -0.006 0.000 0.970 23 Q CA 0.579 56.377 55.803 -0.007 0.000 0.888 23 Q CB 0.112 28.848 28.738 -0.003 0.000 0.951 23 Q HN 0.118 nan 8.270 nan 0.000 0.469 24 L N -0.246 120.976 121.223 -0.003 0.000 2.592 24 L HA 0.092 4.427 4.340 -0.007 0.000 0.227 24 L C 1.484 178.349 176.870 -0.008 0.000 1.127 24 L CA 0.818 55.658 54.840 -0.000 0.000 0.884 24 L CB 0.112 42.174 42.059 0.006 0.000 1.065 24 L HN -0.047 nan 8.230 nan 0.000 0.457 25 S N -0.801 114.889 115.700 -0.017 0.000 2.345 25 S HA -0.116 4.350 4.470 -0.007 0.000 0.219 25 S C 1.098 175.671 174.600 -0.044 0.000 1.031 25 S CA 0.482 58.662 58.200 -0.033 0.000 0.984 25 S CB -0.248 62.920 63.200 -0.054 0.000 0.874 25 S HN 0.478 nan 8.310 nan 0.000 0.451 26 E N 2.275 122.449 120.200 -0.043 0.000 2.443 26 E HA 0.011 4.357 4.350 -0.007 0.000 0.310 26 E C 0.048 176.633 176.600 -0.025 0.000 1.202 26 E CA -0.194 56.181 56.400 -0.042 0.000 1.301 26 E CB -0.269 29.409 29.700 -0.037 0.000 1.104 26 E HN 0.381 nan 8.360 nan 0.000 0.487 27 N N 1.715 120.402 118.700 -0.022 0.000 3.170 27 N HA 0.091 4.827 4.740 -0.007 0.000 0.235 27 N C 0.938 176.442 175.510 -0.009 0.000 1.037 27 N CA 0.321 53.365 53.050 -0.010 0.000 1.160 27 N CB 0.228 38.714 38.487 -0.002 0.000 1.606 27 N HN 0.322 nan 8.380 nan 0.000 0.580 28 I N -1.831 118.735 120.570 -0.007 0.000 4.494 28 I HA 0.316 4.481 4.170 -0.007 0.000 0.393 28 I C -0.224 175.897 176.117 0.006 0.000 1.100 28 I CA -1.403 59.896 61.300 -0.001 0.000 1.300 28 I CB -0.288 37.716 38.000 0.007 0.000 2.388 28 I HN 0.285 nan 8.210 nan 0.000 0.754 29 C N -0.458 118.844 119.300 0.003 0.000 2.667 29 C HA 0.686 5.142 4.460 -0.007 0.000 0.323 29 C C 0.525 175.529 174.990 0.023 0.000 1.214 29 C CA -0.540 58.494 59.018 0.026 0.000 1.721 29 C CB 1.486 29.242 27.740 0.026 0.000 2.275 29 C HN 0.417 nan 8.230 nan 0.000 0.491 30 H N 0.622 119.691 119.070 -0.002 0.000 2.671 30 H HA 0.095 4.647 4.556 -0.007 0.000 0.372 30 H C 1.062 176.387 175.328 -0.004 0.000 1.227 30 H CA 1.222 57.269 56.048 -0.003 0.000 1.426 30 H CB 1.221 30.981 29.762 -0.002 0.000 1.480 30 H HN 0.987 nan 8.280 nan 0.000 0.611 31 Q N 1.693 121.587 119.800 0.157 0.000 2.061 31 Q HA -0.154 4.182 4.340 -0.007 0.000 0.204 31 Q C 1.809 177.874 176.000 0.108 0.000 0.984 31 Q CA 2.168 58.035 55.803 0.107 0.000 0.846 31 Q CB 0.055 28.849 28.738 0.093 0.000 0.902 31 Q HN 0.603 nan 8.270 nan 0.000 0.421 32 S N 0.556 116.342 115.700 0.143 0.000 2.383 32 S HA -0.223 4.243 4.470 -0.007 0.000 0.229 32 S C 1.675 176.297 174.600 0.035 0.000 1.030 32 S CA 1.448 59.683 58.200 0.058 0.000 1.002 32 S CB -0.322 62.886 63.200 0.014 0.000 0.829 32 S HN 0.461 nan 8.310 nan 0.000 0.467 33 E N 0.559 120.790 120.200 0.051 0.000 2.130 33 E HA -0.154 4.192 4.350 -0.007 0.000 0.196 33 E C 1.835 178.443 176.600 0.012 0.000 0.998 33 E CA 1.275 57.693 56.400 0.030 0.000 0.806 33 E CB -0.074 29.653 29.700 0.045 0.000 0.738 33 E HN 0.303 nan 8.360 nan 0.000 0.459 34 V N -0.086 119.838 119.914 0.016 0.000 2.515 34 V HA -0.209 3.906 4.120 -0.007 0.000 0.250 34 V C 2.284 178.373 176.094 -0.008 0.000 1.058 34 V CA 1.740 64.039 62.300 -0.002 0.000 1.064 34 V CB -0.323 31.501 31.823 0.002 0.000 0.675 34 V HN 0.235 nan 8.190 nan 0.000 0.461 35 S N -0.433 115.267 115.700 0.000 0.000 2.371 35 S HA -0.115 4.350 4.470 -0.007 0.000 0.224 35 S C 2.185 176.776 174.600 -0.015 0.000 1.029 35 S CA 1.085 59.282 58.200 -0.005 0.000 0.978 35 S CB -0.117 63.084 63.200 0.002 0.000 0.833 35 S HN 0.575 nan 8.310 nan 0.000 0.466 36 R N 0.667 121.158 120.500 -0.015 0.000 2.073 36 R HA -0.018 4.318 4.340 -0.007 0.000 0.234 36 R C 2.218 178.496 176.300 -0.036 0.000 1.134 36 R CA 1.534 57.619 56.100 -0.026 0.000 0.952 36 R CB -0.794 29.493 30.300 -0.022 0.000 0.850 36 R HN 0.427 nan 8.270 nan 0.000 0.433 37 I N 1.261 121.812 120.570 -0.032 0.000 2.208 37 I HA -0.258 3.907 4.170 -0.007 0.000 0.245 37 I C 2.636 178.721 176.117 -0.053 0.000 1.097 37 I CA 1.390 62.664 61.300 -0.042 0.000 1.363 37 I CB -0.300 37.673 38.000 -0.045 0.000 1.051 37 I HN 0.275 nan 8.210 nan 0.000 0.413 38 E N 0.549 120.723 120.200 -0.044 0.000 2.204 38 E HA -0.210 4.135 4.350 -0.007 0.000 0.195 38 E C 2.234 178.813 176.600 -0.035 0.000 0.990 38 E CA 1.521 57.898 56.400 -0.040 0.000 0.821 38 E CB 0.119 29.804 29.700 -0.024 0.000 0.750 38 E HN 0.572 nan 8.360 nan 0.000 0.477 39 S N -1.442 114.236 115.700 -0.036 0.000 2.395 39 S HA 0.070 4.536 4.470 -0.007 0.000 0.225 39 S C 1.688 176.256 174.600 -0.053 0.000 1.027 39 S CA 0.759 58.937 58.200 -0.037 0.000 0.965 39 S CB 0.378 63.557 63.200 -0.035 0.000 0.812 39 S HN 0.407 nan 8.310 nan 0.000 0.482 40 G N 0.529 109.285 108.800 -0.072 0.000 2.163 40 G HA2 -0.096 3.859 3.960 -0.007 0.000 0.213 40 G HA3 -0.096 3.859 3.960 -0.007 0.000 0.213 40 G C 0.906 175.708 174.900 -0.162 0.000 0.991 40 G CA 0.254 45.283 45.100 -0.118 0.000 0.653 40 G HN 1.077 nan 8.290 nan 0.000 0.518 41 A N -0.846 121.907 122.820 -0.111 0.000 1.902 41 A HA 0.445 4.761 4.320 -0.007 0.000 0.217 41 A C 1.329 178.838 177.584 -0.125 0.000 1.181 41 A CA 2.108 54.083 52.037 -0.104 0.000 0.623 41 A CB -0.022 18.939 19.000 -0.064 0.000 0.818 41 A HN 1.223 nan 8.150 nan 0.000 0.443 42 V N -1.507 118.342 119.914 -0.108 0.000 2.715 42 V HA 0.426 4.541 4.120 -0.007 0.000 0.310 42 V C -0.963 175.091 176.094 -0.066 0.000 1.054 42 V CA -0.969 61.283 62.300 -0.080 0.000 0.928 42 V CB 1.398 33.207 31.823 -0.023 0.000 1.007 42 V HN 0.304 nan 8.190 nan 0.000 0.437 43 Y N 3.317 123.600 120.300 -0.027 0.000 2.313 43 Y HA 0.536 5.081 4.550 -0.007 0.000 0.332 43 Y C -1.688 174.190 175.900 -0.036 0.000 1.071 43 Y CA -2.659 55.420 58.100 -0.035 0.000 1.169 43 Y CB 0.679 39.128 38.460 -0.017 0.000 1.192 43 Y HN 0.502 nan 8.280 nan 0.000 0.487 44 P HA 0.149 nan 4.420 nan 0.000 0.274 44 P C -0.655 176.667 177.300 0.035 0.000 1.260 44 P CA -0.557 62.566 63.100 0.038 0.000 0.793 44 P CB 0.524 32.211 31.700 -0.022 0.000 1.048 45 S N -0.276 115.438 115.700 0.023 0.000 2.616 45 S HA 0.251 4.717 4.470 -0.007 0.000 0.277 45 S C 1.456 176.070 174.600 0.024 0.000 1.234 45 S CA -0.682 57.533 58.200 0.025 0.000 1.028 45 S CB 0.322 63.538 63.200 0.026 0.000 0.988 45 S HN 0.232 nan 8.310 nan 0.000 0.522 46 M N 1.935 121.560 119.600 0.041 0.000 2.471 46 M HA -0.238 4.238 4.480 -0.007 0.000 0.260 46 M C 1.769 178.108 176.300 0.065 0.000 1.065 46 M CA 2.796 58.143 55.300 0.078 0.000 1.075 46 M CB -2.045 30.603 32.600 0.079 0.000 1.258 46 M HN 0.939 nan 8.290 nan 0.000 0.457 47 D N -0.056 120.373 120.400 0.048 0.000 2.117 47 D HA -0.090 4.545 4.640 -0.007 0.000 0.198 47 D C 1.900 178.217 176.300 0.029 0.000 0.982 47 D CA 1.189 55.214 54.000 0.041 0.000 0.828 47 D CB -0.790 40.029 40.800 0.032 0.000 0.967 47 D HN 0.453 nan 8.370 nan 0.000 0.464 48 I N -0.004 120.578 120.570 0.021 0.000 2.208 48 I HA -0.215 3.951 4.170 -0.007 0.000 0.245 48 I C 2.294 178.413 176.117 0.002 0.000 1.097 48 I CA 0.692 61.999 61.300 0.012 0.000 1.363 48 I CB -0.247 37.759 38.000 0.010 0.000 1.051 48 I HN 0.053 nan 8.210 nan 0.000 0.413 49 L N 0.735 121.952 121.223 -0.011 0.000 2.127 49 L HA -0.248 4.088 4.340 -0.007 0.000 0.211 49 L C 2.501 179.376 176.870 0.009 0.000 1.089 49 L CA 1.783 56.599 54.840 -0.040 0.000 0.757 49 L CB -0.719 41.281 42.059 -0.099 0.000 0.899 49 L HN 0.244 nan 8.230 nan 0.000 0.434 50 Q N 0.046 119.865 119.800 0.032 0.000 2.197 50 Q HA -0.158 4.177 4.340 -0.007 0.000 0.207 50 Q C 2.174 178.203 176.000 0.049 0.000 0.984 50 Q CA 1.583 57.419 55.803 0.054 0.000 0.869 50 Q CB -1.039 27.730 28.738 0.052 0.000 0.906 50 Q HN 0.697 nan 8.270 nan 0.000 0.426 51 G N 0.766 109.585 108.800 0.032 0.000 2.422 51 G HA2 -0.130 3.826 3.960 -0.007 0.000 0.218 51 G HA3 -0.130 3.826 3.960 -0.007 0.000 0.218 51 G C 1.512 176.432 174.900 0.033 0.000 1.140 51 G CA 0.360 45.476 45.100 0.026 0.000 0.775 51 G HN 0.337 nan 8.290 nan 0.000 0.545 52 I N 0.970 121.561 120.570 0.035 0.000 2.716 52 I HA 0.050 4.215 4.170 -0.007 0.000 0.259 52 I C 3.026 179.230 176.117 0.145 0.000 1.172 52 I CA 0.697 62.028 61.300 0.052 0.000 1.478 52 I CB -0.011 37.978 38.000 -0.018 0.000 1.104 52 I HN 0.181 nan 8.210 nan 0.000 0.439 53 A N 0.966 123.891 122.820 0.175 0.000 2.119 53 A HA 0.088 4.404 4.320 -0.007 0.000 0.217 53 A C 2.500 180.136 177.584 0.087 0.000 1.153 53 A CA 1.283 53.436 52.037 0.193 0.000 0.692 53 A CB -0.456 18.650 19.000 0.177 0.000 0.799 53 A HN 0.385 nan 8.150 nan 0.000 0.458 54 A N 0.291 123.149 122.820 0.065 0.000 1.835 54 A HA -0.128 4.188 4.320 -0.007 0.000 0.215 54 A C 2.097 179.698 177.584 0.030 0.000 1.199 54 A CA 2.183 54.242 52.037 0.037 0.000 0.615 54 A CB -0.461 18.556 19.000 0.028 0.000 0.838 54 A HN 0.389 nan 8.150 nan 0.000 0.444 55 K N -0.924 119.498 120.400 0.036 0.000 1.980 55 K HA 0.035 4.350 4.320 -0.007 0.000 0.208 55 K C 1.757 178.373 176.600 0.027 0.000 1.043 55 K CA 1.013 57.316 56.287 0.026 0.000 0.938 55 K CB -0.678 31.836 32.500 0.024 0.000 0.724 55 K HN 0.227 nan 8.250 nan 0.000 0.438 56 L N 0.126 121.381 121.223 0.053 0.000 2.054 56 L HA -0.321 4.015 4.340 -0.007 0.000 0.220 56 L C 1.963 178.830 176.870 -0.005 0.000 1.081 56 L CA 2.639 57.508 54.840 0.050 0.000 0.780 56 L CB -0.545 41.593 42.059 0.131 0.000 0.893 56 L HN 0.629 nan 8.230 nan 0.000 0.438 57 Q N -3.552 116.233 119.800 -0.026 0.000 2.038 57 Q HA 0.252 4.588 4.340 -0.007 0.000 0.153 57 Q C 0.060 176.030 176.000 -0.049 0.000 0.647 57 Q CA 0.142 55.916 55.803 -0.049 0.000 0.898 57 Q CB 0.810 29.505 28.738 -0.072 0.000 1.111 57 Q HN 0.124 nan 8.270 nan 0.000 0.303 58 I N 1.645 122.172 120.570 -0.072 0.000 2.739 58 I HA 0.415 4.580 4.170 -0.007 0.000 0.288 58 I C -2.732 173.301 176.117 -0.139 0.000 1.582 58 I CA -2.217 58.995 61.300 -0.147 0.000 1.035 58 I CB 2.028 39.905 38.000 -0.204 0.000 1.432 58 I HN 0.267 nan 8.210 nan 0.000 0.444 59 P HA 0.135 nan 4.420 nan 0.000 0.266 59 P C 0.561 177.805 177.300 -0.094 0.000 1.195 59 P CA 0.072 63.115 63.100 -0.095 0.000 0.768 59 P CB 1.191 32.841 31.700 -0.082 0.000 0.838 60 I N 2.688 123.255 120.570 -0.006 0.000 2.286 60 I HA -0.180 3.986 4.170 -0.007 0.000 0.245 60 I C 1.906 178.095 176.117 0.119 0.000 1.104 60 I CA 0.822 62.154 61.300 0.052 0.000 1.397 60 I CB -0.039 38.040 38.000 0.133 0.000 1.072 60 I HN 0.207 nan 8.210 nan 0.000 0.417 61 I N 0.595 121.254 120.570 0.147 0.000 2.623 61 I HA -0.338 3.827 4.170 -0.007 0.000 0.261 61 I C 2.394 178.593 176.117 0.137 0.000 1.204 61 I CA 1.360 62.768 61.300 0.180 0.000 1.444 61 I CB -1.014 37.053 38.000 0.111 0.000 1.094 61 I HN 0.419 nan 8.210 nan 0.000 0.451 62 H N 1.208 120.225 119.070 -0.089 0.000 2.307 62 H HA -0.131 4.421 4.556 -0.007 0.000 0.303 62 H C 1.975 177.230 175.328 -0.123 0.000 1.073 62 H CA 1.855 57.794 56.048 -0.181 0.000 1.338 62 H CB -0.148 29.401 29.762 -0.354 0.000 1.389 62 H HN 0.098 nan 8.280 nan 0.000 0.503 63 F N -0.387 119.494 119.950 -0.115 0.000 2.126 63 F HA -0.187 4.336 4.527 -0.007 0.000 0.299 63 F C 2.100 177.760 175.800 -0.234 0.000 1.096 63 F CA 0.999 58.851 58.000 -0.247 0.000 1.255 63 F CB -1.201 37.642 39.000 -0.261 0.000 0.997 63 F HN 0.243 nan 8.300 nan 0.000 0.479 64 Y N 0.230 120.596 120.300 0.110 0.000 2.145 64 Y HA -0.222 4.323 4.550 -0.007 0.000 0.286 64 Y C 2.560 178.463 175.900 0.005 0.000 1.145 64 Y CA 1.495 59.619 58.100 0.039 0.000 1.148 64 Y CB -1.140 37.340 38.460 0.034 0.000 0.981 64 Y HN 0.173 nan 8.280 nan 0.000 0.507 65 E N -0.059 120.213 120.200 0.121 0.000 2.070 65 E HA -0.209 4.137 4.350 -0.007 0.000 0.197 65 E C 2.244 178.820 176.600 -0.040 0.000 1.004 65 E CA 1.877 58.301 56.400 0.040 0.000 0.805 65 E CB -0.229 29.427 29.700 -0.073 0.000 0.744 65 E HN 0.217 nan 8.360 nan 0.000 0.451 66 V N 1.237 121.029 119.914 -0.203 0.000 2.255 66 V HA -0.272 3.843 4.120 -0.007 0.000 0.247 66 V C 2.446 178.548 176.094 0.014 0.000 1.051 66 V CA 1.749 63.939 62.300 -0.185 0.000 1.018 66 V CB -0.603 31.108 31.823 -0.186 0.000 0.641 66 V HN 0.401 nan 8.190 nan 0.000 0.445 67 L N -0.064 121.189 121.223 0.050 0.000 2.079 67 L HA -0.148 4.187 4.340 -0.007 0.000 0.210 67 L C 2.125 179.057 176.870 0.104 0.000 1.081 67 L CA 1.894 56.781 54.840 0.079 0.000 0.752 67 L CB -0.714 41.389 42.059 0.074 0.000 0.896 67 L HN 0.260 nan 8.230 nan 0.000 0.433 68 I N -1.892 118.760 120.570 0.137 0.000 2.286 68 I HA -0.323 3.843 4.170 -0.007 0.000 0.245 68 I C 2.219 178.430 176.117 0.157 0.000 1.104 68 I CA 1.245 62.623 61.300 0.129 0.000 1.397 68 I CB -0.380 37.698 38.000 0.131 0.000 1.072 68 I HN 0.236 nan 8.210 nan 0.000 0.417 69 Y N -0.140 120.156 120.300 -0.006 0.000 2.274 69 Y HA -0.262 4.283 4.550 -0.007 0.000 0.290 69 Y C 2.975 178.871 175.900 -0.007 0.000 1.145 69 Y CA 1.297 59.391 58.100 -0.009 0.000 1.203 69 Y CB -0.055 38.397 38.460 -0.014 0.000 0.984 69 Y HN 0.106 nan 8.280 nan 0.000 0.533 70 S N -0.559 115.240 115.700 0.166 0.000 2.377 70 S HA -0.180 4.286 4.470 -0.007 0.000 0.223 70 S C 1.918 176.552 174.600 0.057 0.000 1.030 70 S CA 1.137 59.399 58.200 0.104 0.000 0.970 70 S CB -0.345 62.917 63.200 0.102 0.000 0.830 70 S HN 0.452 nan 8.310 nan 0.000 0.473 71 D N 1.096 121.523 120.400 0.044 0.000 2.097 71 D HA -0.113 4.523 4.640 -0.007 0.000 0.195 71 D C 1.982 178.243 176.300 -0.065 0.000 0.989 71 D CA 1.261 55.256 54.000 -0.009 0.000 0.827 71 D CB -0.313 40.485 40.800 -0.002 0.000 0.966 71 D HN 0.525 nan 8.370 nan 0.000 0.456 72 I N 0.530 121.070 120.570 -0.049 0.000 2.226 72 I HA -0.247 3.918 4.170 -0.007 0.000 0.245 72 I C 2.139 178.200 176.117 -0.092 0.000 1.100 72 I CA 1.516 62.760 61.300 -0.093 0.000 1.374 72 I CB -0.030 37.907 38.000 -0.106 0.000 1.057 72 I HN -0.146 nan 8.210 nan 0.000 0.413 73 E N 0.764 120.937 120.200 -0.046 0.000 2.150 73 E HA -0.219 4.127 4.350 -0.007 0.000 0.193 73 E C 2.296 178.882 176.600 -0.023 0.000 0.985 73 E CA 0.869 57.254 56.400 -0.025 0.000 0.814 73 E CB -0.218 29.491 29.700 0.015 0.000 0.752 73 E HN 0.251 nan 8.360 nan 0.000 0.466 74 R N 0.579 121.063 120.500 -0.028 0.000 2.091 74 R HA -0.101 4.235 4.340 -0.007 0.000 0.238 74 R C 1.886 178.159 176.300 -0.045 0.000 1.136 74 R CA 1.631 57.722 56.100 -0.014 0.000 0.959 74 R CB -0.111 30.178 30.300 -0.019 0.000 0.856 74 R HN 0.143 nan 8.270 nan 0.000 0.437 75 K N -0.037 120.244 120.400 -0.199 0.000 2.116 75 K HA -0.082 4.234 4.320 -0.007 0.000 0.203 75 K C 2.113 178.618 176.600 -0.158 0.000 1.052 75 K CA 0.905 56.949 56.287 -0.406 0.000 0.952 75 K CB -0.023 31.935 32.500 -0.903 0.000 0.729 75 K HN 0.039 nan 8.250 nan 0.000 0.446 76 K N 1.005 121.339 120.400 -0.109 0.000 2.026 76 K HA -0.180 4.135 4.320 -0.007 0.000 0.208 76 K C 2.231 178.836 176.600 0.008 0.000 1.048 76 K CA 1.296 57.552 56.287 -0.053 0.000 0.929 76 K CB 0.140 32.611 32.500 -0.049 0.000 0.713 76 K HN -0.010 nan 8.250 nan 0.000 0.439 77 Q N -0.118 119.699 119.800 0.028 0.000 2.077 77 Q HA -0.229 4.106 4.340 -0.007 0.000 0.206 77 Q C 1.991 178.049 176.000 0.096 0.000 0.989 77 Q CA 1.828 57.661 55.803 0.049 0.000 0.853 77 Q CB -0.391 28.378 28.738 0.050 0.000 0.907 77 Q HN 0.395 nan 8.270 nan 0.000 0.418 78 F N 1.324 121.283 119.950 0.016 0.000 2.102 78 F HA -0.221 4.302 4.527 -0.007 0.000 0.298 78 F C 2.195 178.048 175.800 0.088 0.000 1.105 78 F CA 1.527 59.583 58.000 0.093 0.000 1.239 78 F CB 0.122 39.249 39.000 0.211 0.000 0.991 78 F HN 0.001 nan 8.300 nan 0.000 0.474 79 K N -0.035 120.521 120.400 0.260 0.000 2.057 79 K HA -0.162 4.154 4.320 -0.007 0.000 0.206 79 K C 1.623 178.243 176.600 0.033 0.000 1.050 79 K CA 1.593 57.885 56.287 0.009 0.000 0.935 79 K CB -0.336 31.938 32.500 -0.376 0.000 0.715 79 K HN 0.229 nan 8.250 nan 0.000 0.439 80 D N 1.175 121.580 120.400 0.009 0.000 2.106 80 D HA -0.190 4.446 4.640 -0.007 0.000 0.191 80 D C 1.950 178.233 176.300 -0.028 0.000 0.997 80 D CA 1.393 55.388 54.000 -0.007 0.000 0.834 80 D CB -0.256 40.538 40.800 -0.009 0.000 0.956 80 D HN 0.233 nan 8.370 nan 0.000 0.448 81 Q N -0.139 119.626 119.800 -0.059 0.000 2.170 81 Q HA -0.060 4.275 4.340 -0.007 0.000 0.203 81 Q C 2.234 178.157 176.000 -0.129 0.000 0.976 81 Q CA 0.670 56.407 55.803 -0.111 0.000 0.858 81 Q CB 0.134 28.768 28.738 -0.174 0.000 0.907 81 Q HN 0.162 nan 8.270 nan 0.000 0.433 82 V N 0.270 120.122 119.914 -0.103 0.000 2.488 82 V HA -0.173 3.942 4.120 -0.007 0.000 0.246 82 V C 1.929 177.987 176.094 -0.061 0.000 1.046 82 V CA 1.167 63.419 62.300 -0.080 0.000 1.053 82 V CB -0.237 31.647 31.823 0.102 0.000 0.679 82 V HN 0.325 nan 8.190 nan 0.000 0.458 83 I N -0.415 120.152 120.570 -0.005 0.000 2.286 83 I HA -0.299 3.867 4.170 -0.007 0.000 0.248 83 I C 2.459 178.534 176.117 -0.070 0.000 1.115 83 I CA 1.788 63.068 61.300 -0.033 0.000 1.392 83 I CB -0.282 37.715 38.000 -0.004 0.000 1.065 83 I HN 0.297 nan 8.210 nan 0.000 0.418 84 M N 0.473 120.030 119.600 -0.070 0.000 2.159 84 M HA -0.217 4.259 4.480 -0.007 0.000 0.263 84 M C 2.188 178.425 176.300 -0.106 0.000 1.063 84 M CA 1.905 57.160 55.300 -0.075 0.000 1.110 84 M CB -0.001 32.559 32.600 -0.065 0.000 1.374 84 M HN 0.203 nan 8.290 nan 0.000 0.411 85 L N -0.739 120.397 121.223 -0.144 0.000 2.156 85 L HA -0.211 4.124 4.340 -0.007 0.000 0.208 85 L C 2.540 179.235 176.870 -0.293 0.000 1.095 85 L CA 0.779 55.500 54.840 -0.198 0.000 0.770 85 L CB -0.818 41.113 42.059 -0.213 0.000 0.914 85 L HN 0.443 nan 8.230 nan 0.000 0.439 86 C N 0.328 119.452 119.300 -0.294 0.000 2.413 86 C HA -0.204 4.252 4.460 -0.007 0.000 0.276 86 C C 2.926 177.834 174.990 -0.137 0.000 1.236 86 C CA 1.309 60.146 59.018 -0.302 0.000 1.735 86 C CB -0.701 26.940 27.740 -0.165 0.000 2.031 86 C HN 0.539 nan 8.230 nan 0.000 0.474 87 K N 1.314 121.665 120.400 -0.082 0.000 2.032 87 K HA -0.200 4.116 4.320 -0.007 0.000 0.209 87 K C 1.813 178.394 176.600 -0.031 0.000 1.048 87 K CA 1.823 58.090 56.287 -0.033 0.000 0.927 87 K CB -0.548 31.931 32.500 -0.034 0.000 0.712 87 K HN 0.564 nan 8.250 nan 0.000 0.441 88 Q N 0.237 119.998 119.800 -0.065 0.000 2.488 88 Q HA 0.018 4.353 4.340 -0.007 0.000 0.211 88 Q C -0.241 175.725 176.000 -0.055 0.000 0.967 88 Q CA 0.653 56.424 55.803 -0.053 0.000 0.926 88 Q CB 0.075 28.773 28.738 -0.067 0.000 0.992 88 Q HN 0.280 nan 8.270 nan 0.000 0.506 89 K N 0.274 120.612 120.400 -0.104 0.000 3.117 89 K HA -0.184 4.132 4.320 -0.007 0.000 0.269 89 K C -0.879 175.643 176.600 -0.131 0.000 1.098 89 K CA 0.361 56.601 56.287 -0.078 0.000 0.785 89 K CB -0.756 31.817 32.500 0.121 0.000 1.242 89 K HN 0.195 nan 8.250 nan 0.000 0.491 90 R N 0.812 121.144 120.500 -0.279 0.000 3.570 90 R HA 0.093 4.428 4.340 -0.007 0.000 0.233 90 R C 0.247 176.419 176.300 -0.214 0.000 1.492 90 R CA -0.218 55.779 56.100 -0.171 0.000 1.504 90 R CB 0.036 30.261 30.300 -0.124 0.000 1.314 90 R HN 0.232 nan 8.270 nan 0.000 0.687 91 Y N 0.653 120.937 120.300 -0.027 0.000 2.263 91 Y HA -0.189 4.356 4.550 -0.008 0.000 0.292 91 Y C 2.381 178.280 175.900 -0.002 0.000 1.130 91 Y CA 1.159 59.246 58.100 -0.022 0.000 1.179 91 Y CB 0.075 38.511 38.460 -0.039 0.000 0.998 91 Y HN 0.134 nan 8.280 nan 0.000 0.532 92 K N 1.301 121.770 120.400 0.114 0.000 2.113 92 K HA -0.205 4.111 4.320 -0.007 0.000 0.208 92 K C 1.453 178.112 176.600 0.099 0.000 1.047 92 K CA 1.913 58.238 56.287 0.064 0.000 0.928 92 K CB -0.290 32.215 32.500 0.008 0.000 0.716 92 K HN 0.477 nan 8.250 nan 0.000 0.446 93 E N -0.230 119.998 120.200 0.046 0.000 2.107 93 E HA -0.090 4.256 4.350 -0.007 0.000 0.191 93 E C 2.192 178.812 176.600 0.032 0.000 0.982 93 E CA 1.122 57.538 56.400 0.028 0.000 0.809 93 E CB -0.171 29.514 29.700 -0.026 0.000 0.756 93 E HN 0.284 nan 8.360 nan 0.000 0.459 94 I N 0.759 121.328 120.570 -0.002 0.000 2.127 94 I HA -0.319 3.847 4.170 -0.007 0.000 0.241 94 I C 2.539 178.722 176.117 0.111 0.000 1.075 94 I CA 1.410 62.705 61.300 -0.008 0.000 1.334 94 I CB -0.401 37.548 38.000 -0.084 0.000 1.040 94 I HN 0.115 nan 8.210 nan 0.000 0.405 95 Y N 2.403 122.732 120.300 0.049 0.000 2.081 95 Y HA -0.338 4.208 4.550 -0.007 0.000 0.280 95 Y C 2.495 178.517 175.900 0.203 0.000 1.163 95 Y CA 2.015 60.171 58.100 0.092 0.000 1.135 95 Y CB -0.350 38.115 38.460 0.008 0.000 0.970 95 Y HN 0.204 nan 8.280 nan 0.000 0.498 96 N N 0.465 119.343 118.700 0.298 0.000 2.166 96 N HA -0.185 4.550 4.740 -0.007 0.000 0.186 96 N C 1.841 177.481 175.510 0.216 0.000 1.019 96 N CA 1.553 54.752 53.050 0.249 0.000 0.856 96 N CB -0.413 38.197 38.487 0.204 0.000 0.993 96 N HN 0.442 nan 8.380 nan 0.000 0.426 97 K N 0.919 121.407 120.400 0.146 0.000 2.001 97 K HA -0.067 4.249 4.320 -0.007 0.000 0.208 97 K C 1.904 178.638 176.600 0.225 0.000 1.048 97 K CA 1.218 57.583 56.287 0.130 0.000 0.932 97 K CB 0.011 32.506 32.500 -0.008 0.000 0.715 97 K HN 0.098 nan 8.250 nan 0.000 0.437 98 V N -0.577 119.453 119.914 0.193 0.000 2.809 98 V HA -0.123 3.993 4.120 -0.007 0.000 0.256 98 V C 2.012 178.124 176.094 0.030 0.000 1.080 98 V CA 1.055 63.460 62.300 0.176 0.000 1.102 98 V CB -0.909 30.962 31.823 0.080 0.000 0.705 98 V HN 0.541 nan 8.190 nan 0.000 0.475 99 W N 1.981 123.211 121.300 -0.116 0.000 2.354 99 W HA -0.186 4.470 4.660 -0.006 0.000 0.315 99 W C 2.151 178.597 176.519 -0.121 0.000 1.206 99 W CA 1.915 59.128 57.345 -0.220 0.000 1.290 99 W CB -0.554 28.753 29.460 -0.256 0.000 1.152 99 W HN 0.359 nan 8.180 nan 0.000 0.489 100 N N 1.083 119.726 118.700 -0.095 0.000 2.149 100 N HA -0.224 4.511 4.740 -0.007 0.000 0.188 100 N C 1.515 176.930 175.510 -0.158 0.000 1.019 100 N CA 2.120 55.096 53.050 -0.123 0.000 0.857 100 N CB -0.564 37.983 38.487 0.101 0.000 0.997 100 N HN 0.322 nan 8.380 nan 0.000 0.426 101 E N 0.792 120.948 120.200 -0.074 0.000 2.112 101 E HA 0.062 4.408 4.350 -0.007 0.000 0.190 101 E C 1.986 178.440 176.600 -0.242 0.000 0.979 101 E CA 0.446 56.784 56.400 -0.104 0.000 0.814 101 E CB -0.181 29.459 29.700 -0.100 0.000 0.762 101 E HN 0.259 nan 8.360 nan 0.000 0.460 102 L N 0.872 121.883 121.223 -0.354 0.000 2.201 102 L HA -0.094 4.242 4.340 -0.007 0.000 0.212 102 L C 2.174 178.774 176.870 -0.449 0.000 1.105 102 L CA 1.462 56.059 54.840 -0.406 0.000 0.775 102 L CB -0.381 41.384 42.059 -0.490 0.000 0.913 102 L HN 0.171 nan 8.230 nan 0.000 0.440 103 K N 0.937 120.984 120.400 -0.589 0.000 2.487 103 K HA -0.076 4.240 4.320 -0.007 0.000 0.192 103 K C 1.234 177.654 176.600 -0.300 0.000 1.027 103 K CA 0.540 56.474 56.287 -0.589 0.000 1.054 103 K CB -0.002 31.993 32.500 -0.842 0.000 0.824 103 K HN 0.366 nan 8.250 nan 0.000 0.510 104 K N 1.387 121.658 120.400 -0.216 0.000 2.358 104 K HA 0.017 4.332 4.320 -0.007 0.000 0.197 104 K C -0.543 176.008 176.600 -0.080 0.000 1.025 104 K CA 0.063 56.283 56.287 -0.112 0.000 1.104 104 K CB -0.132 32.329 32.500 -0.066 0.000 0.855 104 K HN 0.324 nan 8.250 nan 0.000 0.531 105 E N 1.543 121.675 120.200 -0.114 0.000 2.165 105 E HA -0.241 4.105 4.350 -0.007 0.000 0.203 105 E C -1.376 175.228 176.600 0.007 0.000 1.335 105 E CA 0.728 57.089 56.400 -0.065 0.000 0.708 105 E CB -1.916 27.744 29.700 -0.065 0.000 1.105 105 E HN 0.506 nan 8.360 nan 0.000 0.346 106 E N 0.916 121.131 120.200 0.024 0.000 2.229 106 E HA 0.131 4.476 4.350 -0.007 0.000 0.283 106 E C -0.440 176.242 176.600 0.136 0.000 1.030 106 E CA -0.758 55.691 56.400 0.082 0.000 0.836 106 E CB 0.698 30.440 29.700 0.070 0.000 1.068 106 E HN 0.352 nan 8.360 nan 0.000 0.401 107 Y N 4.523 124.849 120.300 0.044 0.000 2.637 107 Y HA 0.031 4.576 4.550 -0.007 0.000 0.350 107 Y C -0.631 175.337 175.900 0.115 0.000 1.069 107 Y CA 0.281 58.415 58.100 0.057 0.000 1.397 107 Y CB 0.068 38.538 38.460 0.017 0.000 1.163 107 Y HN 0.464 nan 8.280 nan 0.000 0.527 108 H N 8.563 127.346 119.070 -0.477 0.000 2.888 108 H HA 0.255 4.807 4.556 -0.007 0.000 0.280 108 H C -2.579 172.593 175.328 -0.260 0.000 1.431 108 H CA -2.307 53.507 56.048 -0.391 0.000 1.573 108 H CB 1.190 30.886 29.762 -0.109 0.000 1.924 108 H HN 0.428 nan 8.280 nan 0.000 0.645 109 P HA -0.180 nan 4.420 nan 0.000 0.216 109 P C 1.469 178.805 177.300 0.061 0.000 1.150 109 P CA 1.629 64.694 63.100 -0.058 0.000 0.843 109 P CB 0.446 32.096 31.700 -0.083 0.000 0.787 110 E N -1.616 118.679 120.200 0.159 0.000 2.107 110 E HA -0.179 4.167 4.350 -0.007 0.000 0.191 110 E C 1.794 178.453 176.600 0.100 0.000 0.982 110 E CA 0.653 57.131 56.400 0.130 0.000 0.809 110 E CB -0.610 29.187 29.700 0.162 0.000 0.756 110 E HN 0.073 nan 8.360 nan 0.000 0.459 111 F N 2.024 121.792 119.950 -0.304 0.000 2.186 111 F HA -0.057 4.466 4.527 -0.007 0.000 0.299 111 F C 2.194 177.951 175.800 -0.072 0.000 1.090 111 F CA 1.496 59.313 58.000 -0.305 0.000 1.307 111 F CB -0.260 38.348 39.000 -0.653 0.000 1.019 111 F HN 0.041 nan 8.300 nan 0.000 0.489 112 Q N -0.359 119.393 119.800 -0.080 0.000 2.170 112 Q HA -0.280 4.055 4.340 -0.007 0.000 0.203 112 Q C 2.231 178.188 176.000 -0.072 0.000 0.976 112 Q CA 1.824 57.547 55.803 -0.134 0.000 0.858 112 Q CB -0.328 28.374 28.738 -0.061 0.000 0.907 112 Q HN 0.608 nan 8.270 nan 0.000 0.433 113 Q N 0.141 119.958 119.800 0.029 0.000 2.049 113 Q HA -0.188 4.148 4.340 -0.007 0.000 0.198 113 Q C 1.902 178.009 176.000 0.179 0.000 0.971 113 Q CA 1.048 56.909 55.803 0.098 0.000 0.833 113 Q CB -0.209 28.594 28.738 0.109 0.000 0.896 113 Q HN 0.348 nan 8.270 nan 0.000 0.434 114 F N 1.333 121.341 119.950 0.096 0.000 2.087 114 F HA -0.297 4.225 4.527 -0.007 0.000 0.299 114 F C 1.656 177.490 175.800 0.055 0.000 1.100 114 F CA 1.806 59.936 58.000 0.217 0.000 1.226 114 F CB -0.275 38.813 39.000 0.146 0.000 0.983 114 F HN 0.105 nan 8.300 nan 0.000 0.479 115 L N -0.197 120.884 121.223 -0.238 0.000 2.046 115 L HA -0.243 4.092 4.340 -0.007 0.000 0.208 115 L C 2.572 179.289 176.870 -0.256 0.000 1.077 115 L CA 1.633 56.258 54.840 -0.359 0.000 0.747 115 L CB -0.952 40.862 42.059 -0.407 0.000 0.896 115 L HN 0.233 nan 8.230 nan 0.000 0.432 116 Q N -1.016 118.692 119.800 -0.152 0.000 2.084 116 Q HA -0.253 4.082 4.340 -0.007 0.000 0.202 116 Q C 1.989 178.010 176.000 0.036 0.000 0.978 116 Q CA 1.860 57.584 55.803 -0.133 0.000 0.844 116 Q CB -0.376 28.367 28.738 0.008 0.000 0.898 116 Q HN 0.567 nan 8.270 nan 0.000 0.426 117 W N 2.140 123.413 121.300 -0.046 0.000 2.311 117 W HA -0.268 4.388 4.660 -0.006 0.000 0.326 117 W C 1.984 178.489 176.519 -0.023 0.000 1.239 117 W CA 1.874 59.239 57.345 0.033 0.000 1.258 117 W CB -0.757 28.695 29.460 -0.013 0.000 1.165 117 W HN 0.079 nan 8.180 nan 0.000 0.466 118 Q N -0.935 118.575 119.800 -0.484 0.000 2.112 118 Q HA -0.272 4.063 4.340 -0.007 0.000 0.206 118 Q C 2.229 178.133 176.000 -0.160 0.000 0.987 118 Q CA 2.544 58.028 55.803 -0.532 0.000 0.858 118 Q CB -1.181 27.155 28.738 -0.669 0.000 0.905 118 Q HN 0.557 nan 8.270 nan 0.000 0.420 119 Y N -0.820 119.326 120.300 -0.257 0.000 2.145 119 Y HA -0.306 4.240 4.550 -0.007 0.000 0.286 119 Y C 1.544 177.408 175.900 -0.060 0.000 1.145 119 Y CA 1.788 59.756 58.100 -0.219 0.000 1.148 119 Y CB -0.337 37.878 38.460 -0.408 0.000 0.981 119 Y HN 0.191 nan 8.280 nan 0.000 0.507 120 Y N -1.241 119.169 120.300 0.184 0.000 2.242 120 Y HA -0.175 4.370 4.550 -0.008 0.000 0.291 120 Y C 2.576 178.540 175.900 0.106 0.000 1.137 120 Y CA 1.319 59.502 58.100 0.140 0.000 1.181 120 Y CB -1.151 37.435 38.460 0.209 0.000 0.989 120 Y HN -0.028 nan 8.280 nan 0.000 0.527 121 V N -0.308 119.749 119.914 0.238 0.000 2.358 121 V HA -0.266 3.850 4.120 -0.007 0.000 0.246 121 V C 2.513 178.670 176.094 0.104 0.000 1.047 121 V CA 1.565 63.982 62.300 0.195 0.000 1.035 121 V CB -1.281 30.640 31.823 0.164 0.000 0.658 121 V HN 0.435 nan 8.190 nan 0.000 0.452 122 A N 0.154 123.033 122.820 0.099 0.000 1.902 122 A HA -0.122 4.193 4.320 -0.007 0.000 0.217 122 A C 2.444 180.025 177.584 -0.006 0.000 1.181 122 A CA 2.018 54.128 52.037 0.122 0.000 0.623 122 A CB -0.810 18.375 19.000 0.309 0.000 0.818 122 A HN 0.563 nan 8.150 nan 0.000 0.443 123 A N -1.272 121.549 122.820 0.002 0.000 1.940 123 A HA -0.167 4.148 4.320 -0.007 0.000 0.219 123 A C 2.141 179.703 177.584 -0.037 0.000 1.176 123 A CA 1.872 53.855 52.037 -0.089 0.000 0.631 123 A CB -0.823 18.150 19.000 -0.046 0.000 0.814 123 A HN 0.807 nan 8.150 nan 0.000 0.446 124 Y N 0.666 120.926 120.300 -0.066 0.000 2.133 124 Y HA -0.154 4.392 4.550 -0.006 0.000 0.287 124 Y C 2.327 178.157 175.900 -0.117 0.000 1.134 124 Y CA 1.850 59.919 58.100 -0.052 0.000 1.133 124 Y CB -0.627 37.834 38.460 0.001 0.000 0.987 124 Y HN 0.046 nan 8.280 nan 0.000 0.502 125 V N 0.936 120.621 119.914 -0.381 0.000 2.343 125 V HA -0.310 3.805 4.120 -0.007 0.000 0.247 125 V C 2.399 178.260 176.094 -0.388 0.000 1.051 125 V CA 2.002 63.975 62.300 -0.545 0.000 1.036 125 V CB -0.799 30.601 31.823 -0.706 0.000 0.654 125 V HN 0.449 nan 8.190 nan 0.000 0.451 126 L N -0.773 120.273 121.223 -0.295 0.000 2.622 126 L HA 0.006 4.342 4.340 -0.007 0.000 0.233 126 L C 1.349 178.074 176.870 -0.241 0.000 1.156 126 L CA 0.477 55.165 54.840 -0.254 0.000 0.866 126 L CB -0.297 41.577 42.059 -0.308 0.000 0.980 126 L HN 0.335 nan 8.230 nan 0.000 0.448 127 K N -0.877 119.379 120.400 -0.240 0.000 3.434 127 K HA -0.160 4.155 4.320 -0.007 0.000 0.303 127 K C 0.968 177.480 176.600 -0.147 0.000 1.351 127 K CA 0.694 56.870 56.287 -0.185 0.000 0.900 127 K CB -1.455 30.947 32.500 -0.163 0.000 1.385 127 K HN 0.188 nan 8.250 nan 0.000 0.477 128 K N -0.208 120.095 120.400 -0.161 0.000 2.186 128 K HA 0.090 4.406 4.320 -0.007 0.000 0.202 128 K C 0.824 177.349 176.600 -0.125 0.000 1.052 128 K CA 1.217 57.410 56.287 -0.158 0.000 0.965 128 K CB 0.431 32.801 32.500 -0.217 0.000 0.746 128 K HN 0.220 nan 8.250 nan 0.000 0.457 129 V N -2.028 117.847 119.914 -0.066 0.000 2.962 129 V HA 0.353 4.469 4.120 -0.007 0.000 0.313 129 V C -0.437 175.712 176.094 0.090 0.000 1.099 129 V CA -1.351 60.906 62.300 -0.070 0.000 0.971 129 V CB 2.063 33.842 31.823 -0.072 0.000 1.028 129 V HN -0.043 nan 8.190 nan 0.000 0.430 130 D N 0.868 121.306 120.400 0.065 0.000 2.364 130 D HA 0.013 4.649 4.640 -0.007 0.000 0.236 130 D C 0.858 177.291 176.300 0.221 0.000 1.221 130 D CA 1.047 55.126 54.000 0.133 0.000 0.891 130 D CB 0.886 41.687 40.800 0.001 0.000 1.190 130 D HN 0.906 nan 8.370 nan 0.000 0.449 131 Y N 0.202 120.603 120.300 0.169 0.000 2.242 131 Y HA -0.025 4.520 4.550 -0.008 0.000 0.291 131 Y C 2.029 177.841 175.900 -0.146 0.000 1.137 131 Y CA 0.891 58.953 58.100 -0.064 0.000 1.181 131 Y CB -0.328 38.126 38.460 -0.011 0.000 0.989 131 Y HN 0.403 nan 8.280 nan 0.000 0.527 132 E N -0.159 119.491 120.200 -0.917 0.000 2.085 132 E HA -0.256 4.090 4.350 -0.007 0.000 0.194 132 E C 1.895 178.324 176.600 -0.285 0.000 0.994 132 E CA 1.653 57.651 56.400 -0.671 0.000 0.801 132 E CB -0.435 28.878 29.700 -0.645 0.000 0.743 132 E HN 0.717 nan 8.360 nan 0.000 0.453 133 Y N 0.220 120.354 120.300 -0.276 0.000 2.314 133 Y HA -0.237 4.309 4.550 -0.007 0.000 0.293 133 Y C 2.449 178.230 175.900 -0.199 0.000 1.129 133 Y CA 1.231 59.220 58.100 -0.184 0.000 1.201 133 Y CB -0.165 38.232 38.460 -0.105 0.000 0.999 133 Y HN 0.150 nan 8.280 nan 0.000 0.541 134 C N 0.325 119.648 119.300 0.037 0.000 2.462 134 C HA -0.156 4.300 4.460 -0.007 0.000 0.278 134 C C 2.582 177.440 174.990 -0.219 0.000 1.253 134 C CA 1.337 60.322 59.018 -0.054 0.000 1.713 134 C CB -1.404 26.291 27.740 -0.075 0.000 2.049 134 C HN 0.679 nan 8.230 nan 0.000 0.477 135 I N 0.610 121.014 120.570 -0.276 0.000 2.118 135 I HA -0.227 3.939 4.170 -0.007 0.000 0.241 135 I C 2.489 178.439 176.117 -0.277 0.000 1.070 135 I CA 1.693 62.808 61.300 -0.308 0.000 1.327 135 I CB -0.616 37.108 38.000 -0.461 0.000 1.034 135 I HN 0.373 nan 8.210 nan 0.000 0.405 136 L N 0.751 121.786 121.223 -0.312 0.000 2.013 136 L HA -0.265 4.071 4.340 -0.007 0.000 0.212 136 L C 2.526 179.183 176.870 -0.356 0.000 1.073 136 L CA 1.994 56.642 54.840 -0.320 0.000 0.753 136 L CB -0.675 41.154 42.059 -0.382 0.000 0.890 136 L HN 0.213 nan 8.230 nan 0.000 0.432 137 E N -0.494 119.406 120.200 -0.501 0.000 2.072 137 E HA -0.173 4.172 4.350 -0.007 0.000 0.191 137 E C 2.329 178.708 176.600 -0.368 0.000 0.985 137 E CA 1.427 57.455 56.400 -0.619 0.000 0.801 137 E CB -0.377 28.546 29.700 -1.295 0.000 0.750 137 E HN 0.539 nan 8.360 nan 0.000 0.452 138 L N 0.838 121.919 121.223 -0.237 0.000 2.046 138 L HA -0.170 4.165 4.340 -0.007 0.000 0.208 138 L C 2.424 179.249 176.870 -0.076 0.000 1.077 138 L CA 1.222 56.027 54.840 -0.058 0.000 0.747 138 L CB -0.437 41.616 42.059 -0.010 0.000 0.896 138 L HN 0.049 nan 8.230 nan 0.000 0.432 139 K N 0.416 120.747 120.400 -0.115 0.000 2.152 139 K HA -0.213 4.102 4.320 -0.007 0.000 0.206 139 K C 2.096 178.649 176.600 -0.077 0.000 1.048 139 K CA 1.373 57.607 56.287 -0.089 0.000 0.933 139 K CB -0.146 32.300 32.500 -0.090 0.000 0.721 139 K HN 0.286 nan 8.250 nan 0.000 0.447 140 K N 0.876 121.218 120.400 -0.097 0.000 2.097 140 K HA -0.078 4.238 4.320 -0.007 0.000 0.206 140 K C 2.035 178.623 176.600 -0.020 0.000 1.049 140 K CA 1.049 57.298 56.287 -0.063 0.000 0.933 140 K CB -0.139 32.316 32.500 -0.075 0.000 0.717 140 K HN 0.088 nan 8.250 nan 0.000 0.442 141 L N 0.769 121.995 121.223 0.004 0.000 2.083 141 L HA -0.200 4.136 4.340 -0.007 0.000 0.209 141 L C 2.215 179.081 176.870 -0.007 0.000 1.083 141 L CA 1.079 55.938 54.840 0.031 0.000 0.752 141 L CB -0.630 41.476 42.059 0.079 0.000 0.899 141 L HN 0.143 nan 8.230 nan 0.000 0.433 142 L N 0.493 121.697 121.223 -0.032 0.000 2.023 142 L HA -0.159 4.176 4.340 -0.007 0.000 0.205 142 L C 1.704 178.553 176.870 -0.035 0.000 1.073 142 L CA 1.387 56.200 54.840 -0.044 0.000 0.745 142 L CB -0.705 41.322 42.059 -0.053 0.000 0.900 142 L HN 0.483 nan 8.230 nan 0.000 0.435 143 N N -0.437 118.243 118.700 -0.033 0.000 2.466 143 N HA -0.111 4.624 4.740 -0.007 0.000 0.211 143 N C 1.199 176.698 175.510 -0.018 0.000 1.256 143 N CA 0.237 53.270 53.050 -0.028 0.000 0.840 143 N CB -0.185 38.284 38.487 -0.031 0.000 1.079 143 N HN 0.372 nan 8.380 nan 0.000 0.466 144 Q N 0.081 119.874 119.800 -0.012 0.000 2.378 144 Q HA 0.024 4.360 4.340 -0.007 0.000 0.205 144 Q C -0.199 175.797 176.000 -0.007 0.000 0.954 144 Q CA 0.154 55.956 55.803 -0.001 0.000 0.901 144 Q CB -0.082 28.663 28.738 0.011 0.000 0.981 144 Q HN 0.479 nan 8.270 nan 0.000 0.483 145 Q N 0.609 120.398 119.800 -0.018 0.000 2.417 145 Q HA -0.214 4.122 4.340 -0.007 0.000 0.350 145 Q C -0.995 174.993 176.000 -0.021 0.000 1.364 145 Q CA 0.093 55.880 55.803 -0.025 0.000 1.024 145 Q CB -1.698 27.025 28.738 -0.026 0.000 1.235 145 Q HN 0.393 nan 8.270 nan 0.000 0.388 146 L N -0.410 120.802 121.223 -0.017 0.000 2.453 146 L HA 0.461 4.796 4.340 -0.007 0.000 0.261 146 L C 0.734 177.587 176.870 -0.028 0.000 1.179 146 L CA -0.044 54.789 54.840 -0.012 0.000 0.813 146 L CB 1.273 43.335 42.059 0.005 0.000 1.110 146 L HN 0.071 nan 8.230 nan 0.000 0.466 147 T N 1.082 115.620 114.554 -0.025 0.000 3.170 147 T HA 0.536 4.881 4.350 -0.007 0.000 0.315 147 T C -0.078 174.611 174.700 -0.019 0.000 0.967 147 T CA -0.334 61.744 62.100 -0.037 0.000 1.024 147 T CB 0.909 69.737 68.868 -0.065 0.000 1.018 147 T HN 0.810 nan 8.240 nan 0.000 0.449 148 G N 2.660 111.460 108.800 -0.001 0.000 2.940 148 G HA2 0.466 4.422 3.960 -0.007 0.000 0.164 148 G HA3 0.466 4.422 3.960 -0.007 0.000 0.164 148 G C 1.241 176.148 174.900 0.012 0.000 1.326 148 G CA -0.506 44.604 45.100 0.016 0.000 1.020 148 G HN 0.722 nan 8.290 nan 0.000 0.586 149 I N -0.484 120.105 120.570 0.032 0.000 2.181 149 I HA -0.150 4.016 4.170 -0.007 0.000 0.247 149 I C 0.086 176.219 176.117 0.028 0.000 1.081 149 I CA 1.739 63.054 61.300 0.025 0.000 1.340 149 I CB 0.129 38.148 38.000 0.031 0.000 1.036 149 I HN 0.195 nan 8.210 nan 0.000 0.417 150 D N 0.411 120.835 120.400 0.039 0.000 2.467 150 D HA 0.165 4.801 4.640 -0.007 0.000 0.220 150 D C 0.930 177.211 176.300 -0.030 0.000 1.103 150 D CA -0.181 53.853 54.000 0.057 0.000 0.886 150 D CB 1.336 42.202 40.800 0.110 0.000 1.025 150 D HN 0.021 nan 8.370 nan 0.000 0.514 151 V N 3.819 123.664 119.914 -0.117 0.000 3.241 151 V HA -0.167 3.949 4.120 -0.007 0.000 0.269 151 V C 1.091 176.895 176.094 -0.484 0.000 1.151 151 V CA 1.063 63.178 62.300 -0.309 0.000 1.158 151 V CB -1.144 30.441 31.823 -0.397 0.000 0.764 151 V HN 0.550 nan 8.190 nan 0.000 0.508 152 Y N -0.459 119.639 120.300 -0.337 0.000 2.478 152 Y HA 0.096 4.641 4.550 -0.007 0.000 0.261 152 Y C 2.434 177.675 175.900 -1.099 0.000 1.127 152 Y CA 0.342 58.034 58.100 -0.679 0.000 1.288 152 Y CB -0.038 37.951 38.460 -0.785 0.000 1.084 152 Y HN 0.198 nan 8.280 nan 0.000 0.530 153 Q N 0.855 120.335 119.800 -0.534 0.000 2.061 153 Q HA -0.216 4.120 4.340 -0.007 0.000 0.204 153 Q C 1.568 177.314 176.000 -0.424 0.000 0.984 153 Q CA 1.921 57.480 55.803 -0.407 0.000 0.846 153 Q CB -0.005 28.703 28.738 -0.050 0.000 0.902 153 Q HN 0.410 nan 8.270 nan 0.000 0.421 154 N N 0.408 118.929 118.700 -0.298 0.000 2.149 154 N HA -0.168 4.567 4.740 -0.007 0.000 0.188 154 N C 1.830 177.204 175.510 -0.227 0.000 1.019 154 N CA 1.190 54.102 53.050 -0.230 0.000 0.857 154 N CB -0.301 38.093 38.487 -0.155 0.000 0.997 154 N HN 0.327 nan 8.380 nan 0.000 0.426 155 L N -0.397 120.670 121.223 -0.262 0.000 2.141 155 L HA -0.120 4.216 4.340 -0.007 0.000 0.209 155 L C 2.010 178.882 176.870 0.003 0.000 1.094 155 L CA 0.830 55.630 54.840 -0.067 0.000 0.763 155 L CB -0.515 41.579 42.059 0.057 0.000 0.908 155 L HN 0.080 nan 8.230 nan 0.000 0.437 156 Y N 0.134 120.210 120.300 -0.372 0.000 2.163 156 Y HA -0.163 4.383 4.550 -0.007 0.000 0.288 156 Y C 2.478 178.077 175.900 -0.501 0.000 1.136 156 Y CA 0.550 58.361 58.100 -0.483 0.000 1.147 156 Y CB -0.826 37.126 38.460 -0.847 0.000 0.987 156 Y HN 0.041 nan 8.280 nan 0.000 0.509 157 I N 0.074 120.287 120.570 -0.594 0.000 2.264 157 I HA -0.300 3.865 4.170 -0.007 0.000 0.248 157 I C 2.146 178.187 176.117 -0.128 0.000 1.111 157 I CA 1.577 62.573 61.300 -0.508 0.000 1.382 157 I CB -0.379 37.367 38.000 -0.424 0.000 1.060 157 I HN 0.262 nan 8.210 nan 0.000 0.418 158 E N 0.401 120.570 120.200 -0.051 0.000 2.150 158 E HA -0.241 4.104 4.350 -0.007 0.000 0.193 158 E C 1.796 178.461 176.600 0.108 0.000 0.985 158 E CA 1.220 57.634 56.400 0.024 0.000 0.814 158 E CB -0.163 29.557 29.700 0.033 0.000 0.752 158 E HN 0.438 nan 8.360 nan 0.000 0.466 159 N N 0.810 119.673 118.700 0.272 0.000 2.142 159 N HA -0.134 4.602 4.740 -0.007 0.000 0.186 159 N C 1.662 177.375 175.510 0.337 0.000 1.023 159 N CA 1.403 54.698 53.050 0.407 0.000 0.852 159 N CB -0.065 38.833 38.487 0.684 0.000 0.998 159 N HN 0.114 nan 8.380 nan 0.000 0.424 160 A N 0.876 123.887 122.820 0.318 0.000 1.851 160 A HA -0.139 4.176 4.320 -0.007 0.000 0.216 160 A C 2.276 179.941 177.584 0.134 0.000 1.195 160 A CA 1.699 53.912 52.037 0.294 0.000 0.622 160 A CB -1.076 18.163 19.000 0.398 0.000 0.831 160 A HN 0.405 nan 8.150 nan 0.000 0.444 161 I N -0.063 120.538 120.570 0.051 0.000 2.118 161 I HA -0.349 3.816 4.170 -0.007 0.000 0.241 161 I C 2.988 179.099 176.117 -0.010 0.000 1.070 161 I CA 1.393 62.663 61.300 -0.050 0.000 1.327 161 I CB -0.509 37.466 38.000 -0.040 0.000 1.034 161 I HN 0.367 nan 8.210 nan 0.000 0.405 162 A N 0.790 123.575 122.820 -0.057 0.000 1.908 162 A HA -0.257 4.058 4.320 -0.007 0.000 0.218 162 A C 2.118 179.659 177.584 -0.072 0.000 1.181 162 A CA 2.267 54.126 52.037 -0.298 0.000 0.627 162 A CB -0.780 17.519 19.000 -1.168 0.000 0.818 162 A HN 0.437 nan 8.150 nan 0.000 0.445 163 N N 0.085 118.884 118.700 0.166 0.000 2.084 163 N HA -0.109 4.627 4.740 -0.007 0.000 0.190 163 N C 1.607 177.235 175.510 0.196 0.000 1.030 163 N CA 1.688 54.923 53.050 0.308 0.000 0.849 163 N CB -0.486 38.196 38.487 0.324 0.000 1.012 163 N HN 0.582 nan 8.380 nan 0.000 0.423 164 I N -0.264 120.354 120.570 0.080 0.000 2.286 164 I HA -0.290 3.876 4.170 -0.007 0.000 0.248 164 I C 1.735 177.873 176.117 0.036 0.000 1.115 164 I CA 0.978 62.263 61.300 -0.025 0.000 1.392 164 I CB -0.308 37.519 38.000 -0.288 0.000 1.065 164 I HN 0.086 nan 8.210 nan 0.000 0.418 165 Y N 0.943 121.275 120.300 0.053 0.000 2.114 165 Y HA -0.244 4.301 4.550 -0.007 0.000 0.284 165 Y C 2.673 178.661 175.900 0.148 0.000 1.143 165 Y CA 1.381 59.546 58.100 0.109 0.000 1.135 165 Y CB -0.989 37.504 38.460 0.053 0.000 0.980 165 Y HN 0.104 nan 8.280 nan 0.000 0.499 166 A N 0.300 123.301 122.820 0.301 0.000 1.845 166 A HA -0.264 4.052 4.320 -0.007 0.000 0.215 166 A C 2.172 179.857 177.584 0.168 0.000 1.195 166 A CA 1.904 54.087 52.037 0.243 0.000 0.616 166 A CB -1.027 18.168 19.000 0.324 0.000 0.832 166 A HN 0.582 nan 8.150 nan 0.000 0.443 167 E N -0.199 120.100 120.200 0.165 0.000 2.331 167 E HA -0.204 4.142 4.350 -0.007 0.000 0.199 167 E C 0.585 177.219 176.600 0.055 0.000 1.008 167 E CA 1.304 57.774 56.400 0.116 0.000 0.843 167 E CB -0.311 29.476 29.700 0.145 0.000 0.761 167 E HN 0.613 nan 8.360 nan 0.000 0.507 168 N N -0.273 118.442 118.700 0.025 0.000 2.251 168 N HA 0.078 4.813 4.740 -0.007 0.000 0.217 168 N C 0.610 176.039 175.510 -0.136 0.000 1.124 168 N CA 0.667 53.648 53.050 -0.115 0.000 0.843 168 N CB 1.328 39.545 38.487 -0.450 0.000 1.024 168 N HN 0.408 nan 8.380 nan 0.000 0.501 169 G N 0.686 109.431 108.800 -0.092 0.000 2.213 169 G HA2 -0.288 3.668 3.960 -0.007 0.000 0.236 169 G HA3 -0.288 3.668 3.960 -0.007 0.000 0.236 169 G C -0.154 174.556 174.900 -0.315 0.000 0.991 169 G CA -0.348 44.619 45.100 -0.221 0.000 0.629 169 G HN 0.400 nan 8.290 nan 0.000 0.517 170 Y N 1.944 122.272 120.300 0.046 0.000 2.724 170 Y HA 0.504 5.049 4.550 -0.008 0.000 0.354 170 Y C 2.126 178.038 175.900 0.020 0.000 1.270 170 Y CA -0.144 57.980 58.100 0.041 0.000 1.902 170 Y CB -0.321 38.200 38.460 0.100 0.000 1.981 170 Y HN 0.238 nan 8.280 nan 0.000 0.428 171 L N 0.097 121.362 121.223 0.069 0.000 2.046 171 L HA -0.230 4.105 4.340 -0.007 0.000 0.208 171 L C 2.154 179.072 176.870 0.080 0.000 1.077 171 L CA 1.540 56.431 54.840 0.085 0.000 0.747 171 L CB -0.232 41.853 42.059 0.043 0.000 0.896 171 L HN 0.395 nan 8.230 nan 0.000 0.432 172 K N -0.032 120.393 120.400 0.041 0.000 2.148 172 K HA -0.193 4.122 4.320 -0.007 0.000 0.204 172 K C 2.153 178.740 176.600 -0.022 0.000 1.050 172 K CA 1.073 57.372 56.287 0.020 0.000 0.942 172 K CB -0.004 32.499 32.500 0.005 0.000 0.724 172 K HN 0.127 nan 8.250 nan 0.000 0.446 173 K N 0.410 120.765 120.400 -0.076 0.000 2.103 173 K HA -0.078 4.238 4.320 -0.007 0.000 0.204 173 K C 2.097 178.566 176.600 -0.220 0.000 1.052 173 K CA 1.165 57.303 56.287 -0.249 0.000 0.945 173 K CB -0.136 32.013 32.500 -0.585 0.000 0.722 173 K HN 0.211 nan 8.250 nan 0.000 0.443 174 G N 1.382 110.134 108.800 -0.080 0.000 2.480 174 G HA2 -0.262 3.694 3.960 -0.007 0.000 0.216 174 G HA3 -0.262 3.694 3.960 -0.007 0.000 0.216 174 G C 1.470 176.304 174.900 -0.109 0.000 1.200 174 G CA 1.150 46.202 45.100 -0.080 0.000 0.782 174 G HN 0.244 nan 8.290 nan 0.000 0.554 175 I N 1.083 121.758 120.570 0.177 0.000 2.208 175 I HA -0.199 3.967 4.170 -0.007 0.000 0.245 175 I C 2.482 178.650 176.117 0.084 0.000 1.097 175 I CA 1.759 63.247 61.300 0.313 0.000 1.363 175 I CB -0.302 37.869 38.000 0.285 0.000 1.051 175 I HN 0.243 nan 8.210 nan 0.000 0.413 176 D N 0.818 121.215 120.400 -0.007 0.000 2.123 176 D HA -0.210 4.426 4.640 -0.007 0.000 0.196 176 D C 2.191 178.437 176.300 -0.089 0.000 0.992 176 D CA 1.283 55.256 54.000 -0.046 0.000 0.833 176 D CB 0.057 40.814 40.800 -0.071 0.000 0.954 176 D HN 0.066 nan 8.370 nan 0.000 0.455 177 L N -0.276 120.850 121.223 -0.162 0.000 2.017 177 L HA -0.129 4.206 4.340 -0.007 0.000 0.208 177 L C 2.215 178.967 176.870 -0.196 0.000 1.073 177 L CA 1.398 56.112 54.840 -0.209 0.000 0.745 177 L CB -1.158 40.721 42.059 -0.300 0.000 0.894 177 L HN 0.178 nan 8.230 nan 0.000 0.432 178 F N 0.579 120.469 119.950 -0.100 0.000 2.171 178 F HA -0.177 4.345 4.527 -0.008 0.000 0.300 178 F C 2.542 178.156 175.800 -0.309 0.000 1.090 178 F CA 0.920 58.799 58.000 -0.200 0.000 1.293 178 F CB -0.617 38.213 39.000 -0.284 0.000 1.013 178 F HN 0.169 nan 8.300 nan 0.000 0.486 179 E N -0.001 120.098 120.200 -0.169 0.000 2.058 179 E HA -0.269 4.077 4.350 -0.007 0.000 0.194 179 E C 2.217 178.790 176.600 -0.045 0.000 0.997 179 E CA 1.635 57.959 56.400 -0.126 0.000 0.801 179 E CB -0.255 29.404 29.700 -0.068 0.000 0.746 179 E HN 0.482 nan 8.360 nan 0.000 0.450 180 Q N 0.104 119.880 119.800 -0.040 0.000 2.077 180 Q HA -0.214 4.122 4.340 -0.007 0.000 0.206 180 Q C 2.287 178.290 176.000 0.005 0.000 0.989 180 Q CA 1.494 57.284 55.803 -0.022 0.000 0.853 180 Q CB -0.222 28.497 28.738 -0.032 0.000 0.907 180 Q HN 0.352 nan 8.270 nan 0.000 0.418 181 I N 0.496 121.083 120.570 0.029 0.000 2.127 181 I HA -0.324 3.842 4.170 -0.007 0.000 0.241 181 I C 2.206 178.369 176.117 0.076 0.000 1.075 181 I CA 1.209 62.561 61.300 0.087 0.000 1.334 181 I CB -0.352 37.747 38.000 0.166 0.000 1.040 181 I HN 0.189 nan 8.210 nan 0.000 0.405 182 L N 0.353 121.605 121.223 0.049 0.000 2.081 182 L HA -0.266 4.069 4.340 -0.007 0.000 0.212 182 L C 2.557 179.454 176.870 0.044 0.000 1.080 182 L CA 1.486 56.356 54.840 0.049 0.000 0.754 182 L CB -0.600 41.486 42.059 0.044 0.000 0.893 182 L HN 0.206 nan 8.230 nan 0.000 0.433 183 K N -0.191 120.224 120.400 0.025 0.000 2.097 183 K HA -0.194 4.122 4.320 -0.007 0.000 0.206 183 K C 2.165 178.764 176.600 -0.001 0.000 1.049 183 K CA 1.340 57.635 56.287 0.012 0.000 0.933 183 K CB 0.069 32.569 32.500 0.001 0.000 0.717 183 K HN 0.446 nan 8.250 nan 0.000 0.442 184 Q N -0.037 119.766 119.800 0.005 0.000 2.331 184 Q HA -0.045 4.290 4.340 -0.007 0.000 0.203 184 Q C 2.024 178.014 176.000 -0.017 0.000 0.944 184 Q CA 0.559 56.352 55.803 -0.018 0.000 0.892 184 Q CB 0.056 28.783 28.738 -0.018 0.000 0.983 184 Q HN 0.287 nan 8.270 nan 0.000 0.482 185 L N 1.691 122.939 121.223 0.041 0.000 1.994 185 L HA -0.220 4.116 4.340 -0.007 0.000 0.208 185 L C 2.657 179.484 176.870 -0.072 0.000 1.071 185 L CA 1.754 56.639 54.840 0.075 0.000 0.745 185 L CB -0.591 41.566 42.059 0.163 0.000 0.892 185 L HN 0.346 nan 8.230 nan 0.000 0.431 186 E N 0.649 120.812 120.200 -0.061 0.000 2.130 186 E HA -0.269 4.076 4.350 -0.007 0.000 0.196 186 E C 2.029 178.352 176.600 -0.463 0.000 0.998 186 E CA 1.389 57.704 56.400 -0.143 0.000 0.806 186 E CB -0.385 29.325 29.700 0.015 0.000 0.738 186 E HN 0.478 nan 8.360 nan 0.000 0.459 187 A N 0.850 123.509 122.820 -0.268 0.000 2.066 187 A HA -0.022 4.293 4.320 -0.007 0.000 0.218 187 A C 2.050 179.463 177.584 -0.286 0.000 1.157 187 A CA 0.741 52.639 52.037 -0.233 0.000 0.670 187 A CB -0.064 18.863 19.000 -0.123 0.000 0.804 187 A HN 0.206 nan 8.150 nan 0.000 0.453 188 L N -2.171 118.857 121.223 -0.326 0.000 2.416 188 L HA 0.229 4.564 4.340 -0.007 0.000 0.188 188 L C 0.035 176.896 176.870 -0.016 0.000 1.145 188 L CA 0.904 55.638 54.840 -0.177 0.000 0.826 188 L CB -1.362 40.580 42.059 -0.195 0.000 1.064 188 L HN 0.552 nan 8.230 nan 0.000 0.490 189 H N 0.889 120.056 119.070 0.161 0.000 4.195 189 H HA -0.113 4.438 4.556 -0.007 0.000 0.278 189 H C -1.067 174.393 175.328 0.220 0.000 0.655 189 H CA 0.196 56.350 56.048 0.177 0.000 0.780 189 H CB -0.887 28.936 29.762 0.102 0.000 1.212 189 H HN 0.355 nan 8.280 nan 0.000 0.312 190 D N 1.912 122.525 120.400 0.355 0.000 2.857 190 D HA 0.399 5.035 4.640 -0.007 0.000 0.227 190 D C -0.024 176.358 176.300 0.137 0.000 1.192 190 D CA -0.735 53.434 54.000 0.282 0.000 0.857 190 D CB 1.659 42.542 40.800 0.138 0.000 1.645 190 D HN 0.439 nan 8.370 nan 0.000 0.482 191 N N 1.021 119.763 118.700 0.070 0.000 2.732 191 N HA 0.035 4.771 4.740 -0.007 0.000 0.230 191 N C -0.535 175.018 175.510 0.072 0.000 1.487 191 N CA -0.158 52.835 53.050 -0.095 0.000 0.765 191 N CB 0.521 38.634 38.487 -0.624 0.000 1.384 191 N HN 0.418 nan 8.380 nan 0.000 0.530 192 E N 0.047 120.290 120.200 0.071 0.000 2.347 192 E HA -0.061 4.285 4.350 -0.007 0.000 0.196 192 E C 0.646 177.288 176.600 0.070 0.000 1.008 192 E CA 0.504 56.952 56.400 0.079 0.000 0.852 192 E CB 0.461 30.187 29.700 0.043 0.000 0.783 192 E HN 0.597 nan 8.360 nan 0.000 0.505 193 E N 0.193 120.438 120.200 0.075 0.000 2.072 193 E HA -0.177 4.168 4.350 -0.007 0.000 0.191 193 E C 1.682 178.373 176.600 0.152 0.000 0.985 193 E CA 0.694 57.140 56.400 0.076 0.000 0.801 193 E CB -0.057 29.676 29.700 0.055 0.000 0.750 193 E HN 0.161 nan 8.360 nan 0.000 0.452 194 F N 2.310 122.298 119.950 0.063 0.000 2.075 194 F HA -0.253 4.270 4.527 -0.008 0.000 0.297 194 F C 2.019 177.903 175.800 0.140 0.000 1.113 194 F CA 1.656 59.741 58.000 0.142 0.000 1.218 194 F CB -0.403 38.756 39.000 0.265 0.000 0.984 194 F HN -0.019 nan 8.300 nan 0.000 0.472 195 D N 0.102 120.535 120.400 0.055 0.000 2.157 195 D HA -0.211 4.424 4.640 -0.007 0.000 0.191 195 D C 2.370 178.613 176.300 -0.095 0.000 1.004 195 D CA 2.070 56.047 54.000 -0.039 0.000 0.854 195 D CB -0.246 40.596 40.800 0.069 0.000 0.936 195 D HN 0.256 nan 8.370 nan 0.000 0.446 196 V N 0.491 120.376 119.914 -0.048 0.000 2.343 196 V HA -0.226 3.890 4.120 -0.007 0.000 0.247 196 V C 2.558 178.621 176.094 -0.051 0.000 1.051 196 V CA 1.813 64.080 62.300 -0.056 0.000 1.036 196 V CB -0.399 31.389 31.823 -0.059 0.000 0.654 196 V HN 0.140 nan 8.190 nan 0.000 0.451 197 K N -0.169 120.199 120.400 -0.052 0.000 2.057 197 K HA -0.142 4.174 4.320 -0.007 0.000 0.207 197 K C 1.965 178.534 176.600 -0.052 0.000 1.049 197 K CA 1.480 57.771 56.287 0.007 0.000 0.931 197 K CB -0.273 32.281 32.500 0.091 0.000 0.714 197 K HN 0.294 nan 8.250 nan 0.000 0.440 198 V N 1.117 120.877 119.914 -0.256 0.000 2.307 198 V HA -0.225 3.891 4.120 -0.007 0.000 0.245 198 V C 2.212 178.186 176.094 -0.199 0.000 1.045 198 V CA 1.900 64.054 62.300 -0.244 0.000 1.024 198 V CB -0.453 31.170 31.823 -0.334 0.000 0.651 198 V HN 0.320 nan 8.190 nan 0.000 0.449 199 R N -1.258 119.179 120.500 -0.105 0.000 2.148 199 R HA -0.161 4.174 4.340 -0.007 0.000 0.227 199 R C 2.274 178.551 176.300 -0.037 0.000 1.103 199 R CA 1.701 57.778 56.100 -0.039 0.000 0.983 199 R CB -0.491 29.798 30.300 -0.018 0.000 0.874 199 R HN 0.693 nan 8.270 nan 0.000 0.451 200 Y N 2.048 122.257 120.300 -0.153 0.000 2.114 200 Y HA -0.246 4.299 4.550 -0.008 0.000 0.284 200 Y C 1.897 177.697 175.900 -0.167 0.000 1.143 200 Y CA 1.434 59.456 58.100 -0.130 0.000 1.135 200 Y CB -0.012 38.393 38.460 -0.091 0.000 0.980 200 Y HN 0.030 nan 8.280 nan 0.000 0.499 201 N N -0.530 117.965 118.700 -0.341 0.000 2.188 201 N HA -0.231 4.504 4.740 -0.007 0.000 0.184 201 N C 1.840 176.897 175.510 -0.754 0.000 1.018 201 N CA 1.650 54.355 53.050 -0.576 0.000 0.858 201 N CB -0.916 37.287 38.487 -0.474 0.000 0.989 201 N HN 0.613 nan 8.380 nan 0.000 0.426 202 H N 0.498 118.971 119.070 -0.996 0.000 2.387 202 H HA -0.046 4.505 4.556 -0.007 0.000 0.299 202 H C 1.722 176.884 175.328 -0.276 0.000 1.099 202 H CA 1.308 56.939 56.048 -0.695 0.000 1.315 202 H CB 0.290 29.827 29.762 -0.376 0.000 1.380 202 H HN 0.220 nan 8.280 nan 0.000 0.513 203 A N 0.990 123.628 122.820 -0.304 0.000 1.930 203 A HA -0.111 4.204 4.320 -0.007 0.000 0.217 203 A C 2.360 179.850 177.584 -0.157 0.000 1.175 203 A CA 1.206 53.107 52.037 -0.226 0.000 0.627 203 A CB -0.255 18.663 19.000 -0.138 0.000 0.815 203 A HN 0.367 nan 8.150 nan 0.000 0.443 204 K N -0.399 119.847 120.400 -0.257 0.000 2.057 204 K HA -0.024 4.292 4.320 -0.007 0.000 0.206 204 K C 2.284 178.885 176.600 0.002 0.000 1.050 204 K CA 1.051 57.238 56.287 -0.167 0.000 0.935 204 K CB -0.249 32.060 32.500 -0.319 0.000 0.715 204 K HN 0.433 nan 8.250 nan 0.000 0.439 205 A N 1.135 123.946 122.820 -0.014 0.000 1.930 205 A HA -0.092 4.224 4.320 -0.007 0.000 0.217 205 A C 2.060 179.682 177.584 0.063 0.000 1.175 205 A CA 1.065 53.162 52.037 0.100 0.000 0.627 205 A CB -0.514 18.641 19.000 0.258 0.000 0.815 205 A HN 0.150 nan 8.150 nan 0.000 0.443 206 L N -2.077 119.138 121.223 -0.012 0.000 2.083 206 L HA -0.199 4.137 4.340 -0.007 0.000 0.209 206 L C 2.547 179.380 176.870 -0.061 0.000 1.083 206 L CA 1.739 56.541 54.840 -0.065 0.000 0.752 206 L CB -0.603 41.358 42.059 -0.163 0.000 0.899 206 L HN 0.607 nan 8.230 nan 0.000 0.433 207 Y N 0.670 120.917 120.300 -0.089 0.000 2.145 207 Y HA -0.244 4.302 4.550 -0.007 0.000 0.286 207 Y C 2.315 178.188 175.900 -0.045 0.000 1.145 207 Y CA 1.577 59.661 58.100 -0.026 0.000 1.148 207 Y CB -0.127 38.373 38.460 0.068 0.000 0.981 207 Y HN -0.007 nan 8.280 nan 0.000 0.507 208 L N 0.036 121.353 121.223 0.157 0.000 2.353 208 L HA -0.157 4.179 4.340 -0.007 0.000 0.220 208 L C 1.217 178.036 176.870 -0.085 0.000 1.133 208 L CA 1.457 56.332 54.840 0.057 0.000 0.798 208 L CB -0.394 41.738 42.059 0.121 0.000 0.922 208 L HN 0.232 nan 8.230 nan 0.000 0.445 209 D N -0.866 119.457 120.400 -0.129 0.000 2.342 209 D HA 0.015 4.651 4.640 -0.007 0.000 0.221 209 D C 0.844 176.964 176.300 -0.300 0.000 1.101 209 D CA 0.115 54.022 54.000 -0.155 0.000 0.837 209 D CB 0.268 41.019 40.800 -0.082 0.000 0.938 209 D HN 0.023 nan 8.370 nan 0.000 0.508 210 S N -0.643 114.724 115.700 -0.555 0.000 3.382 210 S HA -0.279 4.187 4.470 -0.007 0.000 0.293 210 S C 0.741 174.723 174.600 -1.030 0.000 1.262 210 S CA 0.465 58.040 58.200 -1.042 0.000 0.969 210 S CB -1.422 61.467 63.200 -0.518 0.000 1.136 210 S HN 0.405 nan 8.310 nan 0.000 0.635 211 R N 0.743 120.859 120.500 -0.640 0.000 4.071 211 R HA 0.444 4.780 4.340 -0.007 0.000 0.220 211 R C 0.716 176.877 176.300 -0.232 0.000 1.614 211 R CA -0.192 55.712 56.100 -0.327 0.000 1.505 211 R CB -0.381 29.811 30.300 -0.181 0.000 1.384 211 R HN 0.419 nan 8.270 nan 0.000 0.758 212 Y N -0.166 120.117 120.300 -0.028 0.000 2.153 212 Y HA -0.119 4.426 4.550 -0.008 0.000 0.289 212 Y C 1.767 177.695 175.900 0.047 0.000 1.127 212 Y CA 1.152 59.258 58.100 0.010 0.000 1.131 212 Y CB -0.104 38.357 38.460 0.003 0.000 0.995 212 Y HN 0.398 nan 8.280 nan 0.000 0.505 213 E N 0.445 120.769 120.200 0.206 0.000 2.065 213 E HA -0.270 4.075 4.350 -0.007 0.000 0.201 213 E C 2.078 178.752 176.600 0.123 0.000 1.016 213 E CA 1.960 58.451 56.400 0.152 0.000 0.818 213 E CB -0.206 29.564 29.700 0.118 0.000 0.749 213 E HN 0.533 nan 8.360 nan 0.000 0.453 214 E N 0.022 120.262 120.200 0.066 0.000 2.085 214 E HA -0.218 4.127 4.350 -0.007 0.000 0.194 214 E C 2.188 178.821 176.600 0.055 0.000 0.994 214 E CA 1.119 57.543 56.400 0.040 0.000 0.801 214 E CB -0.152 29.532 29.700 -0.026 0.000 0.743 214 E HN 0.074 nan 8.360 nan 0.000 0.453 215 S N 0.735 116.456 115.700 0.036 0.000 2.356 215 S HA -0.164 4.302 4.470 -0.007 0.000 0.223 215 S C 2.007 176.645 174.600 0.063 0.000 1.032 215 S CA 0.989 59.209 58.200 0.033 0.000 1.005 215 S CB -0.149 63.129 63.200 0.130 0.000 0.867 215 S HN 0.214 nan 8.310 nan 0.000 0.449 216 L N 0.713 121.996 121.223 0.100 0.000 2.093 216 L HA 0.012 4.347 4.340 -0.007 0.000 0.208 216 L C 2.102 179.000 176.870 0.046 0.000 1.085 216 L CA 2.052 56.923 54.840 0.051 0.000 0.755 216 L CB -0.915 41.163 42.059 0.032 0.000 0.904 216 L HN 0.615 nan 8.230 nan 0.000 0.435 217 Y N -0.521 119.774 120.300 -0.008 0.000 2.242 217 Y HA -0.249 4.297 4.550 -0.007 0.000 0.291 217 Y C 2.535 178.426 175.900 -0.015 0.000 1.137 217 Y CA 1.875 59.972 58.100 -0.004 0.000 1.181 217 Y CB -0.155 38.311 38.460 0.010 0.000 0.989 217 Y HN 0.321 nan 8.280 nan 0.000 0.527 218 Q N 0.185 119.984 119.800 -0.001 0.000 2.083 218 Q HA -0.081 4.255 4.340 -0.007 0.000 0.198 218 Q C 2.224 178.127 176.000 -0.162 0.000 0.969 218 Q CA 1.870 57.613 55.803 -0.100 0.000 0.838 218 Q CB -0.459 28.291 28.738 0.020 0.000 0.900 218 Q HN 0.449 nan 8.270 nan 0.000 0.436 219 V N 1.256 121.105 119.914 -0.109 0.000 2.343 219 V HA -0.264 3.852 4.120 -0.007 0.000 0.247 219 V C 1.810 177.796 176.094 -0.179 0.000 1.051 219 V CA 1.882 64.117 62.300 -0.108 0.000 1.036 219 V CB -0.616 31.163 31.823 -0.072 0.000 0.654 219 V HN 0.451 nan 8.190 nan 0.000 0.451 220 N N 0.378 118.959 118.700 -0.197 0.000 2.104 220 N HA -0.217 4.519 4.740 -0.007 0.000 0.190 220 N C 1.859 177.222 175.510 -0.245 0.000 1.024 220 N CA 1.552 54.476 53.050 -0.209 0.000 0.853 220 N CB -0.362 38.028 38.487 -0.163 0.000 1.008 220 N HN 0.387 nan 8.380 nan 0.000 0.424 221 K N 1.124 121.315 120.400 -0.349 0.000 2.147 221 K HA 0.020 4.336 4.320 -0.007 0.000 0.205 221 K C 1.801 178.282 176.600 -0.199 0.000 1.049 221 K CA 1.163 57.260 56.287 -0.317 0.000 0.936 221 K CB -0.280 31.942 32.500 -0.464 0.000 0.722 221 K HN 0.163 nan 8.250 nan 0.000 0.446 222 A N 0.469 123.178 122.820 -0.185 0.000 1.897 222 A HA -0.043 4.272 4.320 -0.007 0.000 0.215 222 A C 2.116 179.595 177.584 -0.175 0.000 1.181 222 A CA 1.340 53.290 52.037 -0.144 0.000 0.620 222 A CB -0.547 18.387 19.000 -0.109 0.000 0.821 222 A HN 0.305 nan 8.150 nan 0.000 0.443 223 I N -0.365 120.067 120.570 -0.229 0.000 2.151 223 I HA -0.303 3.862 4.170 -0.007 0.000 0.243 223 I C 2.605 178.618 176.117 -0.174 0.000 1.080 223 I CA 1.897 63.032 61.300 -0.276 0.000 1.339 223 I CB -0.396 37.368 38.000 -0.392 0.000 1.039 223 I HN 0.478 nan 8.210 nan 0.000 0.409 224 E N 1.236 121.351 120.200 -0.142 0.000 2.118 224 E HA -0.236 4.109 4.350 -0.007 0.000 0.195 224 E C 2.274 178.827 176.600 -0.078 0.000 0.992 224 E CA 1.513 57.858 56.400 -0.093 0.000 0.804 224 E CB -0.026 29.620 29.700 -0.090 0.000 0.741 224 E HN 0.521 nan 8.360 nan 0.000 0.458 225 I N -0.080 120.436 120.570 -0.089 0.000 2.406 225 I HA -0.179 3.986 4.170 -0.007 0.000 0.249 225 I C 2.651 178.728 176.117 -0.066 0.000 1.122 225 I CA 0.375 61.638 61.300 -0.063 0.000 1.431 225 I CB -0.159 37.810 38.000 -0.051 0.000 1.087 225 I HN 0.011 nan 8.210 nan 0.000 0.424 226 S N -0.084 115.557 115.700 -0.099 0.000 2.370 226 S HA -0.220 4.246 4.470 -0.007 0.000 0.226 226 S C 2.165 176.716 174.600 -0.081 0.000 1.033 226 S CA 1.603 59.736 58.200 -0.112 0.000 1.011 226 S CB -0.285 62.806 63.200 -0.181 0.000 0.852 226 S HN 0.511 nan 8.310 nan 0.000 0.457 227 C N 0.555 119.815 119.300 -0.067 0.000 2.450 227 C HA 0.142 4.598 4.460 -0.007 0.000 0.279 227 C C 2.645 177.626 174.990 -0.015 0.000 1.335 227 C CA 0.211 59.215 59.018 -0.024 0.000 1.749 227 C CB -1.171 26.567 27.740 -0.003 0.000 1.963 227 C HN 0.546 nan 8.230 nan 0.000 0.501 228 R N 1.162 121.647 120.500 -0.024 0.000 2.148 228 R HA 0.005 4.341 4.340 -0.007 0.000 0.223 228 R C 1.622 177.915 176.300 -0.013 0.000 1.088 228 R CA 1.142 57.233 56.100 -0.015 0.000 0.985 228 R CB -0.099 30.189 30.300 -0.020 0.000 0.880 228 R HN 0.751 nan 8.270 nan 0.000 0.451 229 I N -2.585 117.974 120.570 -0.018 0.000 3.941 229 I HA 0.211 4.377 4.170 -0.007 0.000 0.335 229 I C -0.666 175.443 176.117 -0.012 0.000 1.402 229 I CA -0.277 61.015 61.300 -0.013 0.000 1.112 229 I CB 0.335 38.327 38.000 -0.013 0.000 1.043 229 I HN -0.050 nan 8.210 nan 0.000 0.395 230 N N 1.485 120.179 118.700 -0.011 0.000 2.747 230 N HA -0.196 4.539 4.740 -0.007 0.000 0.249 230 N C 0.027 175.528 175.510 -0.016 0.000 1.107 230 N CA 1.237 54.285 53.050 -0.003 0.000 0.707 230 N CB -1.474 37.018 38.487 0.008 0.000 1.054 230 N HN 0.660 nan 8.380 nan 0.000 0.555 231 S N -0.210 115.464 115.700 -0.043 0.000 2.451 231 S HA 0.563 5.028 4.470 -0.007 0.000 0.301 231 S C 1.218 175.743 174.600 -0.124 0.000 1.116 231 S CA -0.669 57.491 58.200 -0.067 0.000 1.093 231 S CB 0.830 63.991 63.200 -0.066 0.000 1.017 231 S HN 0.204 nan 8.310 nan 0.000 0.482 232 M N 4.068 123.594 119.600 -0.125 0.000 2.428 232 M HA 0.184 4.659 4.480 -0.007 0.000 0.239 232 M C 1.981 178.149 176.300 -0.221 0.000 1.121 232 M CA -0.013 55.154 55.300 -0.221 0.000 1.019 232 M CB -0.349 32.181 32.600 -0.116 0.000 1.485 232 M HN 0.783 nan 8.290 nan 0.000 0.484 233 A N 1.518 124.240 122.820 -0.164 0.000 1.903 233 A HA -0.143 4.172 4.320 -0.007 0.000 0.219 233 A C 1.887 179.340 177.584 -0.220 0.000 1.191 233 A CA 1.684 53.629 52.037 -0.153 0.000 0.638 233 A CB -0.448 18.488 19.000 -0.107 0.000 0.823 233 A HN 0.558 nan 8.150 nan 0.000 0.451 234 L N -1.384 119.675 121.223 -0.273 0.000 2.858 234 L HA 0.337 4.673 4.340 -0.007 0.000 0.251 234 L C 1.767 178.387 176.870 -0.416 0.000 1.149 234 L CA -0.120 54.492 54.840 -0.379 0.000 0.955 234 L CB 0.292 42.102 42.059 -0.417 0.000 1.289 234 L HN 0.404 nan 8.230 nan 0.000 0.542 235 I N 0.316 120.626 120.570 -0.433 0.000 2.394 235 I HA -0.168 3.998 4.170 -0.007 0.000 0.251 235 I C 2.212 178.066 176.117 -0.439 0.000 1.136 235 I CA 1.383 62.363 61.300 -0.533 0.000 1.425 235 I CB 0.141 37.708 38.000 -0.723 0.000 1.079 235 I HN 0.318 nan 8.210 nan 0.000 0.425 236 G N -0.134 108.444 108.800 -0.369 0.000 2.421 236 G HA2 -0.284 3.672 3.960 -0.007 0.000 0.216 236 G HA3 -0.284 3.672 3.960 -0.007 0.000 0.216 236 G C 1.401 176.254 174.900 -0.079 0.000 1.171 236 G CA 0.503 45.452 45.100 -0.252 0.000 0.775 236 G HN 0.361 nan 8.290 nan 0.000 0.543 237 Q N 0.009 119.797 119.800 -0.021 0.000 2.124 237 Q HA 0.058 4.394 4.340 -0.007 0.000 0.202 237 Q C 2.568 178.625 176.000 0.094 0.000 0.977 237 Q CA 0.806 56.646 55.803 0.061 0.000 0.850 237 Q CB -0.337 28.204 28.738 -0.328 0.000 0.901 237 Q HN 0.484 nan 8.270 nan 0.000 0.429 238 L N -1.302 119.843 121.223 -0.129 0.000 1.994 238 L HA -0.206 4.130 4.340 -0.007 0.000 0.208 238 L C 1.938 178.766 176.870 -0.071 0.000 1.071 238 L CA 1.263 56.036 54.840 -0.112 0.000 0.745 238 L CB -0.482 41.386 42.059 -0.318 0.000 0.892 238 L HN 0.248 nan 8.230 nan 0.000 0.431 239 Y N -1.387 118.894 120.300 -0.031 0.000 2.207 239 Y HA -0.331 4.215 4.550 -0.008 0.000 0.287 239 Y C 2.504 178.380 175.900 -0.039 0.000 1.156 239 Y CA 1.649 59.725 58.100 -0.041 0.000 1.182 239 Y CB -0.794 37.659 38.460 -0.012 0.000 0.979 239 Y HN 0.134 nan 8.280 nan 0.000 0.521 240 Y N 0.734 121.108 120.300 0.123 0.000 2.097 240 Y HA -0.350 4.196 4.550 -0.007 0.000 0.282 240 Y C 2.683 178.628 175.900 0.074 0.000 1.152 240 Y CA 2.228 60.436 58.100 0.180 0.000 1.136 240 Y CB -0.533 38.127 38.460 0.335 0.000 0.975 240 Y HN 0.122 nan 8.280 nan 0.000 0.498 241 Q N 0.687 120.640 119.800 0.255 0.000 2.096 241 Q HA -0.223 4.113 4.340 -0.007 0.000 0.204 241 Q C 2.457 178.397 176.000 -0.100 0.000 0.982 241 Q CA 2.047 57.893 55.803 0.071 0.000 0.850 241 Q CB -0.416 28.425 28.738 0.172 0.000 0.901 241 Q HN 0.476 nan 8.270 nan 0.000 0.422 242 R N -0.996 119.443 120.500 -0.102 0.000 2.103 242 R HA -0.152 4.183 4.340 -0.007 0.000 0.242 242 R C 2.119 178.243 176.300 -0.293 0.000 1.142 242 R CA 1.609 57.612 56.100 -0.161 0.000 0.960 242 R CB -0.773 29.458 30.300 -0.116 0.000 0.858 242 R HN 0.464 nan 8.270 nan 0.000 0.439 243 G N 0.684 109.183 108.800 -0.502 0.000 2.421 243 G HA2 -0.254 3.702 3.960 -0.007 0.000 0.216 243 G HA3 -0.254 3.702 3.960 -0.007 0.000 0.216 243 G C 1.152 175.723 174.900 -0.549 0.000 1.171 243 G CA 0.624 45.150 45.100 -0.958 0.000 0.775 243 G HN 0.325 nan 8.290 nan 0.000 0.543 244 E N 0.107 120.083 120.200 -0.373 0.000 2.058 244 E HA -0.138 4.207 4.350 -0.007 0.000 0.194 244 E C 2.712 179.329 176.600 0.030 0.000 0.997 244 E CA 1.157 57.483 56.400 -0.123 0.000 0.801 244 E CB -0.551 28.967 29.700 -0.304 0.000 0.746 244 E HN 0.433 nan 8.360 nan 0.000 0.450 245 C N 0.634 119.935 119.300 0.001 0.000 2.446 245 C HA -0.050 4.406 4.460 -0.007 0.000 0.277 245 C C 2.859 177.808 174.990 -0.068 0.000 1.275 245 C CA 0.270 59.334 59.018 0.076 0.000 1.727 245 C CB -1.074 26.703 27.740 0.063 0.000 2.010 245 C HN 0.350 nan 8.230 nan 0.000 0.486 246 L N 0.338 121.442 121.223 -0.198 0.000 2.141 246 L HA -0.102 4.234 4.340 -0.007 0.000 0.209 246 L C 2.826 179.676 176.870 -0.032 0.000 1.094 246 L CA 1.244 55.920 54.840 -0.273 0.000 0.763 246 L CB -0.713 41.084 42.059 -0.437 0.000 0.908 246 L HN 0.348 nan 8.230 nan 0.000 0.437 247 R N 0.361 120.844 120.500 -0.028 0.000 2.092 247 R HA -0.115 4.221 4.340 -0.007 0.000 0.231 247 R C 2.251 178.542 176.300 -0.015 0.000 1.119 247 R CA 0.979 57.097 56.100 0.031 0.000 0.970 247 R CB 0.126 30.478 30.300 0.087 0.000 0.864 247 R HN 0.138 nan 8.270 nan 0.000 0.440 248 K N 0.415 120.751 120.400 -0.106 0.000 2.217 248 K HA -0.067 4.248 4.320 -0.007 0.000 0.202 248 K C 1.669 178.122 176.600 -0.245 0.000 1.051 248 K CA 0.844 56.944 56.287 -0.312 0.000 0.952 248 K CB 0.080 32.077 32.500 -0.839 0.000 0.736 248 K HN 0.281 nan 8.250 nan 0.000 0.453 249 L N 0.757 121.937 121.223 -0.071 0.000 2.611 249 L HA 0.070 4.405 4.340 -0.007 0.000 0.229 249 L C -0.243 176.711 176.870 0.139 0.000 1.137 249 L CA 0.047 54.938 54.840 0.085 0.000 0.901 249 L CB -0.210 42.010 42.059 0.269 0.000 1.098 249 L HN 0.155 nan 8.230 nan 0.000 0.456 250 E N -0.078 120.179 120.200 0.096 0.000 2.183 250 E HA -0.265 4.081 4.350 -0.007 0.000 0.196 250 E C -0.615 176.052 176.600 0.110 0.000 1.364 250 E CA 0.228 56.677 56.400 0.082 0.000 0.700 250 E CB -0.943 28.770 29.700 0.023 0.000 1.106 250 E HN 0.277 nan 8.360 nan 0.000 0.347 251 Y N 1.168 121.459 120.300 -0.015 0.000 2.330 251 Y HA -0.005 4.541 4.550 -0.007 0.000 0.341 251 Y C 1.315 177.213 175.900 -0.004 0.000 1.278 251 Y CA -0.348 57.747 58.100 -0.008 0.000 1.453 251 Y CB 0.527 38.980 38.460 -0.012 0.000 1.342 251 Y HN 0.122 nan 8.280 nan 0.000 0.590 252 E N 1.113 121.385 120.200 0.119 0.000 2.529 252 E HA -0.154 4.192 4.350 -0.007 0.000 0.259 252 E C 0.605 177.260 176.600 0.091 0.000 0.966 252 E CA 0.079 56.522 56.400 0.072 0.000 0.937 252 E CB 0.375 30.101 29.700 0.044 0.000 0.923 252 E HN 0.761 nan 8.360 nan 0.000 0.468 253 E N 3.182 123.420 120.200 0.064 0.000 2.169 253 E HA -0.266 4.079 4.350 -0.007 0.000 0.202 253 E C 1.773 178.410 176.600 0.061 0.000 1.016 253 E CA 2.436 58.874 56.400 0.063 0.000 0.817 253 E CB -0.227 29.501 29.700 0.046 0.000 0.736 253 E HN 0.686 nan 8.360 nan 0.000 0.462 254 A N 0.619 123.468 122.820 0.049 0.000 1.930 254 A HA -0.189 4.127 4.320 -0.007 0.000 0.217 254 A C 1.959 179.563 177.584 0.033 0.000 1.175 254 A CA 1.494 53.553 52.037 0.037 0.000 0.627 254 A CB -0.485 18.530 19.000 0.025 0.000 0.815 254 A HN 0.272 nan 8.150 nan 0.000 0.443 255 E N 0.267 120.496 120.200 0.048 0.000 2.049 255 E HA -0.229 4.117 4.350 -0.007 0.000 0.198 255 E C 2.001 178.592 176.600 -0.016 0.000 1.007 255 E CA 1.575 57.995 56.400 0.033 0.000 0.809 255 E CB -0.551 29.210 29.700 0.101 0.000 0.749 255 E HN 0.735 nan 8.360 nan 0.000 0.450 256 I N 1.471 122.046 120.570 0.009 0.000 2.208 256 I HA -0.291 3.875 4.170 -0.007 0.000 0.245 256 I C 2.802 178.926 176.117 0.012 0.000 1.097 256 I CA 1.784 63.065 61.300 -0.032 0.000 1.363 256 I CB -0.466 37.577 38.000 0.072 0.000 1.051 256 I HN 0.206 nan 8.210 nan 0.000 0.413 257 E N 0.980 121.237 120.200 0.095 0.000 2.216 257 E HA -0.256 4.090 4.350 -0.007 0.000 0.192 257 E C 1.643 178.288 176.600 0.075 0.000 0.988 257 E CA 1.390 57.882 56.400 0.153 0.000 0.834 257 E CB -0.184 29.577 29.700 0.100 0.000 0.772 257 E HN 0.430 nan 8.360 nan 0.000 0.479 258 D N 0.960 121.362 120.400 0.002 0.000 2.084 258 D HA -0.129 4.506 4.640 -0.007 0.000 0.194 258 D C 2.042 178.286 176.300 -0.093 0.000 0.990 258 D CA 2.133 56.104 54.000 -0.048 0.000 0.826 258 D CB -0.218 40.550 40.800 -0.052 0.000 0.971 258 D HN 0.307 nan 8.370 nan 0.000 0.453 259 A N -0.670 122.080 122.820 -0.117 0.000 1.917 259 A HA -0.223 4.092 4.320 -0.007 0.000 0.219 259 A C 2.208 179.730 177.584 -0.103 0.000 1.182 259 A CA 1.588 53.545 52.037 -0.133 0.000 0.633 259 A CB -1.341 17.528 19.000 -0.218 0.000 0.819 259 A HN 0.521 nan 8.150 nan 0.000 0.448 260 Y N -0.387 119.904 120.300 -0.015 0.000 2.314 260 Y HA -0.120 4.426 4.550 -0.007 0.000 0.293 260 Y C 2.516 178.418 175.900 0.003 0.000 1.129 260 Y CA 1.272 59.380 58.100 0.013 0.000 1.201 260 Y CB -0.058 38.408 38.460 0.010 0.000 0.999 260 Y HN 0.218 nan 8.280 nan 0.000 0.541 261 K N 0.423 120.890 120.400 0.113 0.000 2.032 261 K HA -0.200 4.116 4.320 -0.007 0.000 0.209 261 K C 1.978 178.550 176.600 -0.046 0.000 1.048 261 K CA 1.444 57.744 56.287 0.022 0.000 0.927 261 K CB -0.078 32.399 32.500 -0.038 0.000 0.712 261 K HN 0.224 nan 8.250 nan 0.000 0.441 262 K N 0.466 120.769 120.400 -0.161 0.000 1.985 262 K HA -0.113 4.203 4.320 -0.007 0.000 0.210 262 K C 2.306 178.875 176.600 -0.052 0.000 1.047 262 K CA 1.339 57.452 56.287 -0.291 0.000 0.932 262 K CB -0.603 31.356 32.500 -0.902 0.000 0.716 262 K HN 0.127 nan 8.250 nan 0.000 0.439 263 A N 1.659 124.476 122.820 -0.006 0.000 1.903 263 A HA -0.267 4.049 4.320 -0.007 0.000 0.219 263 A C 2.524 179.901 177.584 -0.345 0.000 1.191 263 A CA 2.628 54.591 52.037 -0.123 0.000 0.638 263 A CB -0.977 18.050 19.000 0.046 0.000 0.823 263 A HN 0.371 nan 8.150 nan 0.000 0.451 264 S N -1.633 114.049 115.700 -0.031 0.000 2.353 264 S HA -0.192 4.273 4.470 -0.007 0.000 0.222 264 S C 1.741 176.375 174.600 0.055 0.000 1.035 264 S CA 1.736 59.987 58.200 0.085 0.000 1.025 264 S CB -0.573 62.715 63.200 0.146 0.000 0.902 264 S HN 0.661 nan 8.310 nan 0.000 0.440 265 F N 1.456 121.313 119.950 -0.155 0.000 2.087 265 F HA -0.175 4.347 4.527 -0.007 0.000 0.299 265 F C 1.653 177.286 175.800 -0.277 0.000 1.100 265 F CA 1.838 59.689 58.000 -0.248 0.000 1.226 265 F CB -0.819 37.941 39.000 -0.400 0.000 0.983 265 F HN 0.287 nan 8.300 nan 0.000 0.479 266 F N -0.693 119.096 119.950 -0.270 0.000 2.269 266 F HA -0.167 4.355 4.527 -0.008 0.000 0.301 266 F C 2.077 177.773 175.800 -0.174 0.000 1.082 266 F CA 1.052 58.844 58.000 -0.348 0.000 1.360 266 F CB -0.987 37.872 39.000 -0.235 0.000 1.041 266 F HN -0.038 nan 8.300 nan 0.000 0.512 267 F N 0.491 120.464 119.950 0.038 0.000 2.259 267 F HA -0.110 4.413 4.527 -0.006 0.000 0.298 267 F C 2.074 177.825 175.800 -0.081 0.000 1.088 267 F CA 0.607 58.602 58.000 -0.008 0.000 1.358 267 F CB -1.223 37.814 39.000 0.062 0.000 1.040 267 F HN -0.006 nan 8.300 nan 0.000 0.505 268 D N 0.388 120.832 120.400 0.073 0.000 2.077 268 D HA -0.162 4.473 4.640 -0.007 0.000 0.196 268 D C 2.607 178.849 176.300 -0.096 0.000 0.986 268 D CA 0.971 54.968 54.000 -0.004 0.000 0.829 268 D CB -0.872 39.922 40.800 -0.009 0.000 0.983 268 D HN 0.163 nan 8.370 nan 0.000 0.453 269 I N 0.368 120.794 120.570 -0.241 0.000 2.143 269 I HA -0.285 3.880 4.170 -0.007 0.000 0.245 269 I C 1.834 177.873 176.117 -0.131 0.000 1.068 269 I CA 1.338 62.478 61.300 -0.266 0.000 1.326 269 I CB -0.044 37.634 38.000 -0.537 0.000 1.028 269 I HN -0.001 nan 8.210 nan 0.000 0.412 270 L N -0.489 120.685 121.223 -0.081 0.000 2.607 270 L HA 0.104 4.439 4.340 -0.007 0.000 0.228 270 L C 0.463 177.260 176.870 -0.122 0.000 1.123 270 L CA 0.044 54.850 54.840 -0.057 0.000 0.890 270 L CB -0.196 41.862 42.059 -0.002 0.000 1.103 270 L HN 0.178 nan 8.230 nan 0.000 0.468 271 E N 0.340 120.433 120.200 -0.179 0.000 2.403 271 E HA -0.257 4.088 4.350 -0.007 0.000 0.241 271 E C 0.164 176.352 176.600 -0.686 0.000 1.201 271 E CA 0.320 56.438 56.400 -0.470 0.000 0.721 271 E CB -0.994 28.520 29.700 -0.309 0.000 1.245 271 E HN 0.478 nan 8.360 nan 0.000 0.392 272 M N 0.954 120.360 119.600 -0.323 0.000 3.237 272 M HA 0.053 4.528 4.480 -0.007 0.000 0.266 272 M C 1.088 177.273 176.300 -0.191 0.000 1.456 272 M CA -0.077 55.096 55.300 -0.212 0.000 1.593 272 M CB 0.195 32.690 32.600 -0.175 0.000 1.129 272 M HN 0.168 nan 8.290 nan 0.000 0.547 273 H N 0.802 119.870 119.070 -0.003 0.000 2.357 273 H HA -0.056 4.497 4.556 -0.006 0.000 0.301 273 H C 2.030 177.320 175.328 -0.065 0.000 1.082 273 H CA 1.730 57.765 56.048 -0.022 0.000 1.342 273 H CB -0.150 29.605 29.762 -0.012 0.000 1.389 273 H HN 0.714 nan 8.280 nan 0.000 0.511 274 A N 0.838 123.670 122.820 0.021 0.000 1.877 274 A HA -0.195 4.120 4.320 -0.007 0.000 0.216 274 A C 2.143 179.576 177.584 -0.253 0.000 1.186 274 A CA 1.371 53.335 52.037 -0.122 0.000 0.620 274 A CB -1.093 17.794 19.000 -0.189 0.000 0.822 274 A HN 0.368 nan 8.150 nan 0.000 0.443 275 Y N -0.296 119.778 120.300 -0.376 0.000 2.293 275 Y HA -0.155 4.391 4.550 -0.007 0.000 0.291 275 Y C 2.420 177.919 175.900 -0.669 0.000 1.137 275 Y CA 1.759 59.457 58.100 -0.670 0.000 1.202 275 Y CB -0.110 37.648 38.460 -1.171 0.000 0.990 275 Y HN 0.336 nan 8.280 nan 0.000 0.537 276 K N 0.930 121.144 120.400 -0.309 0.000 2.097 276 K HA -0.205 4.111 4.320 -0.007 0.000 0.205 276 K C 1.913 178.529 176.600 0.028 0.000 1.050 276 K CA 1.450 57.725 56.287 -0.021 0.000 0.938 276 K CB -0.089 32.480 32.500 0.114 0.000 0.718 276 K HN 0.369 nan 8.250 nan 0.000 0.442 277 E N 0.233 120.419 120.200 -0.024 0.000 2.019 277 E HA -0.307 4.038 4.350 -0.007 0.000 0.208 277 E C 1.804 178.402 176.600 -0.005 0.000 1.030 277 E CA 1.952 58.343 56.400 -0.015 0.000 0.856 277 E CB -0.494 29.178 29.700 -0.046 0.000 0.781 277 E HN 0.331 nan 8.360 nan 0.000 0.471 278 A N 1.795 124.588 122.820 -0.045 0.000 1.894 278 A HA -0.288 4.027 4.320 -0.007 0.000 0.220 278 A C 2.355 179.989 177.584 0.083 0.000 1.237 278 A CA 2.177 54.210 52.037 -0.007 0.000 0.660 278 A CB -1.358 17.600 19.000 -0.071 0.000 0.835 278 A HN 0.562 nan 8.150 nan 0.000 0.461 279 L N 0.096 121.405 121.223 0.143 0.000 2.013 279 L HA -0.168 4.167 4.340 -0.007 0.000 0.212 279 L C 2.432 179.386 176.870 0.141 0.000 1.073 279 L CA 2.686 57.695 54.840 0.282 0.000 0.753 279 L CB -1.017 41.312 42.059 0.451 0.000 0.890 279 L HN 0.292 nan 8.230 nan 0.000 0.432 280 V N 0.431 120.410 119.914 0.109 0.000 2.667 280 V HA -0.234 3.882 4.120 -0.007 0.000 0.252 280 V C 2.220 178.333 176.094 0.031 0.000 1.065 280 V CA 1.580 63.920 62.300 0.067 0.000 1.083 280 V CB -0.884 30.980 31.823 0.068 0.000 0.692 280 V HN 0.541 nan 8.190 nan 0.000 0.468 281 N N 0.410 119.128 118.700 0.031 0.000 2.006 281 N HA -0.183 4.553 4.740 -0.007 0.000 0.196 281 N C 1.832 177.341 175.510 -0.001 0.000 1.057 281 N CA 1.233 54.292 53.050 0.016 0.000 0.853 281 N CB -0.248 38.250 38.487 0.019 0.000 1.051 281 N HN 0.274 nan 8.380 nan 0.000 0.423 282 K N 1.247 121.646 120.400 -0.002 0.000 2.059 282 K HA -0.127 4.189 4.320 -0.007 0.000 0.212 282 K C 1.905 178.445 176.600 -0.099 0.000 1.050 282 K CA 0.797 57.059 56.287 -0.042 0.000 0.927 282 K CB -0.870 31.600 32.500 -0.050 0.000 0.714 282 K HN 0.276 nan 8.250 nan 0.000 0.447 283 I N 1.763 122.247 120.570 -0.143 0.000 2.657 283 I HA -0.208 3.957 4.170 -0.007 0.000 0.261 283 I C 1.975 178.047 176.117 -0.076 0.000 1.212 283 I CA 1.568 62.767 61.300 -0.170 0.000 1.453 283 I CB -0.608 37.294 38.000 -0.163 0.000 1.092 283 I HN 0.210 nan 8.210 nan 0.000 0.452 284 S N -0.998 114.676 115.700 -0.044 0.000 2.564 284 S HA 0.018 4.484 4.470 -0.007 0.000 0.231 284 S C 2.062 176.652 174.600 -0.016 0.000 1.067 284 S CA -0.194 57.993 58.200 -0.021 0.000 0.908 284 S CB 0.031 63.225 63.200 -0.010 0.000 0.809 284 S HN 0.322 nan 8.310 nan 0.000 0.491 285 R N 0.342 120.832 120.500 -0.016 0.000 2.062 285 R HA 0.178 4.513 4.340 -0.007 0.000 0.231 285 R C 0.846 177.143 176.300 -0.005 0.000 1.136 285 R CA 0.845 56.942 56.100 -0.006 0.000 0.948 285 R CB -0.240 30.060 30.300 -0.001 0.000 0.845 285 R HN 0.290 nan 8.270 nan 0.000 0.430 286 L N 0.000 121.215 121.223 -0.013 0.000 2.949 286 L HA 0.000 4.336 4.340 -0.007 0.000 0.249 286 L CA 0.000 54.838 54.840 -0.004 0.000 0.813 286 L CB 0.000 42.056 42.059 -0.004 0.000 0.961 286 L HN 0.000 nan 8.230 nan 0.000 0.502