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 1fxz_1_A DATA FIRST_RESID 10 DATA SEQUENCE NEcQIQKLNA LKPDNRIESE GGLIETWNPN NKPFQcAGVA LSRCTLNRNA DATA SEQUENCE LRRPSYTNGP QEIYIQQGKG IFGMIYPGcP STXXXXXXXX XXXXXXXXXX DATA SEQUENCE RHQKIYNFRE GDLIAVPTGV AWWMYNNEDT PVVAVSIIDT NSLENQLDQM DATA SEQUENCE PRRFYLAGNQ EQEFLKYQQX XXXXXXXXXX XXXXXXXXGG SILSGFTLEF DATA SEQUENCE LEHAFSVDKQ IAKNLQGEXX XXXKGAIVTV KGGLSVIKPX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXIcT MRLRHNIGQT DATA SEQUENCE SSPDIYNPQA GSVTTATSLD FPALSWLRLS AEFGSLRKNA MFVPHYNLNA DATA SEQUENCE NSIIYALNGR ALIQVVNCNG ERVFDGELQE GRVLIVPQNF VVAARSQSDN DATA SEQUENCE FEYVSFKTND TPMIGTLAGA NSLLNALPEE VIQHTFNLKS QQARQIKNNN DATA SEQUENCE PFKFLVPPQE S 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 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.527 175.510 0.028 0.000 1.280 10 N CA 0.000 53.066 53.050 0.026 0.000 0.885 10 N CB 0.000 38.506 38.487 0.031 0.000 1.341 11 E N -0.528 119.685 120.200 0.022 0.000 2.130 11 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 11 E C 0.459 177.069 176.600 0.016 0.000 0.998 11 E CA 1.329 57.740 56.400 0.018 0.000 0.806 11 E CB 0.007 29.713 29.700 0.010 0.000 0.738 11 E HN 0.365 nan 8.360 nan 0.000 0.459 12 c N 1.260 119.872 118.600 0.021 0.000 2.492 12 c HA 0.227 4.797 4.570 -0.000 0.000 0.317 12 c C 0.207 174.354 174.090 0.094 0.000 1.347 12 c CA -0.490 55.853 56.329 0.024 0.000 1.759 12 c CB -1.265 41.244 42.510 -0.003 0.000 2.127 12 c HN 0.361 nan 8.230 nan 0.000 0.579 13 Q N 1.076 120.926 119.800 0.083 0.000 2.673 13 Q HA 0.396 4.736 4.340 -0.000 0.000 0.224 13 Q C -0.804 175.255 176.000 0.099 0.000 1.226 13 Q CA 0.096 55.959 55.803 0.100 0.000 1.019 13 Q CB 0.378 29.153 28.738 0.062 0.000 1.312 13 Q HN 0.588 nan 8.270 nan 0.000 0.566 14 I N 2.971 123.634 120.570 0.154 0.000 2.315 14 I HA -0.014 4.156 4.170 -0.000 0.000 0.291 14 I C 1.392 177.586 176.117 0.128 0.000 1.006 14 I CA -0.342 61.038 61.300 0.133 0.000 1.265 14 I CB 1.396 39.481 38.000 0.141 0.000 1.387 14 I HN 0.494 nan 8.210 nan 0.000 0.475 15 Q N 6.216 126.067 119.800 0.085 0.000 2.016 15 Q HA 0.029 4.369 4.340 -0.000 0.000 0.200 15 Q C -0.079 175.966 176.000 0.075 0.000 0.978 15 Q CA 1.489 57.330 55.803 0.064 0.000 0.833 15 Q CB 0.048 28.816 28.738 0.051 0.000 0.895 15 Q HN 0.543 nan 8.270 nan 0.000 0.427 16 K N 0.076 120.530 120.400 0.091 0.000 2.550 16 K HA 0.495 4.815 4.320 -0.000 0.000 0.252 16 K C -1.212 175.464 176.600 0.128 0.000 0.943 16 K CA -0.386 55.970 56.287 0.116 0.000 0.806 16 K CB 1.977 34.537 32.500 0.100 0.000 1.289 16 K HN 0.032 nan 8.250 nan 0.000 0.435 17 L N 2.109 123.434 121.223 0.171 0.000 2.375 17 L HA 0.491 4.831 4.340 -0.000 0.000 0.268 17 L C -0.355 176.641 176.870 0.209 0.000 1.058 17 L CA -0.858 54.043 54.840 0.101 0.000 0.803 17 L CB 1.031 43.084 42.059 -0.010 0.000 1.212 17 L HN 0.625 nan 8.230 nan 0.000 0.451 18 N N -0.070 118.688 118.700 0.096 0.000 2.329 18 N HA 0.572 5.312 4.740 -0.000 0.000 0.282 18 N C -1.085 174.464 175.510 0.065 0.000 1.198 18 N CA -0.776 52.400 53.050 0.209 0.000 0.790 18 N CB 1.695 40.288 38.487 0.177 0.000 1.579 18 N HN 0.662 nan 8.380 nan 0.000 0.475 19 A N 1.608 124.522 122.820 0.158 0.000 2.489 19 A HA 0.250 4.570 4.320 -0.000 0.000 0.289 19 A C -0.048 177.628 177.584 0.154 0.000 1.216 19 A CA -0.131 51.956 52.037 0.084 0.000 0.883 19 A CB -0.874 18.229 19.000 0.172 0.000 1.110 19 A HN 0.597 nan 8.150 nan 0.000 0.523 20 L N 2.694 124.026 121.223 0.182 0.000 2.395 20 L HA 0.480 4.820 4.340 -0.000 0.000 0.269 20 L C 0.568 177.754 176.870 0.527 0.000 1.133 20 L CA -0.296 54.742 54.840 0.329 0.000 0.812 20 L CB 0.970 43.275 42.059 0.410 0.000 1.125 20 L HN 0.882 nan 8.230 nan 0.000 0.452 21 K N 1.769 122.391 120.400 0.369 0.000 2.480 21 K HA 0.669 4.989 4.320 -0.000 0.000 0.258 21 K C -2.904 173.411 176.600 -0.475 0.000 0.990 21 K CA -1.865 54.498 56.287 0.126 0.000 0.857 21 K CB 1.588 34.134 32.500 0.076 0.000 1.384 21 K HN 0.167 nan 8.250 nan 0.000 0.446 22 P HA 0.029 nan 4.420 nan 0.000 0.272 22 P C -0.838 176.254 177.300 -0.346 0.000 1.230 22 P CA 0.070 62.585 63.100 -0.976 0.000 0.788 22 P CB 0.534 31.571 31.700 -1.104 0.000 0.949 23 D N -0.078 120.227 120.400 -0.158 0.000 2.720 23 D HA 0.148 4.788 4.640 -0.000 0.000 0.285 23 D C -0.581 175.723 176.300 0.007 0.000 1.359 23 D CA -0.323 53.662 54.000 -0.025 0.000 0.818 23 D CB -0.541 40.301 40.800 0.071 0.000 1.108 23 D HN 0.205 nan 8.370 nan 0.000 0.474 24 N N 0.250 118.922 118.700 -0.047 0.000 2.648 24 N HA 0.247 4.987 4.740 -0.000 0.000 0.272 24 N C -1.823 173.639 175.510 -0.080 0.000 1.118 24 N CA -0.287 52.732 53.050 -0.052 0.000 0.973 24 N CB 1.689 40.170 38.487 -0.009 0.000 1.565 24 N HN -0.032 nan 8.380 nan 0.000 0.542 25 R N 3.096 123.549 120.500 -0.077 0.000 2.480 25 R HA 0.607 4.947 4.340 -0.000 0.000 0.306 25 R C -0.638 175.622 176.300 -0.067 0.000 0.958 25 R CA -0.629 55.430 56.100 -0.067 0.000 0.861 25 R CB 1.484 31.752 30.300 -0.054 0.000 1.171 25 R HN 0.494 nan 8.270 nan 0.000 0.445 26 I N 2.654 123.186 120.570 -0.062 0.000 2.411 26 I HA 0.225 4.395 4.170 -0.000 0.000 0.284 26 I C -0.235 175.854 176.117 -0.047 0.000 1.012 26 I CA -0.444 60.816 61.300 -0.066 0.000 1.119 26 I CB 1.857 39.806 38.000 -0.084 0.000 1.261 26 I HN 0.424 nan 8.210 nan 0.000 0.448 27 E N 4.280 124.455 120.200 -0.042 0.000 2.200 27 E HA 0.371 4.721 4.350 -0.000 0.000 0.283 27 E C -0.626 175.954 176.600 -0.033 0.000 1.015 27 E CA -0.141 56.241 56.400 -0.029 0.000 0.819 27 E CB 1.891 31.577 29.700 -0.024 0.000 1.081 27 E HN 0.491 nan 8.360 nan 0.000 0.397 28 S N 1.933 117.619 115.700 -0.023 0.000 2.726 28 S HA 0.114 4.584 4.470 -0.000 0.000 0.308 28 S C 0.973 175.565 174.600 -0.013 0.000 1.115 28 S CA -0.615 57.569 58.200 -0.027 0.000 0.965 28 S CB 1.601 64.782 63.200 -0.030 0.000 1.145 28 S HN 0.708 nan 8.310 nan 0.000 0.532 29 E N 1.407 121.599 120.200 -0.014 0.000 2.035 29 E HA -0.156 4.194 4.350 -0.000 0.000 0.204 29 E C 1.377 177.982 176.600 0.009 0.000 1.025 29 E CA 1.807 58.205 56.400 -0.004 0.000 0.835 29 E CB -0.710 28.987 29.700 -0.005 0.000 0.764 29 E HN 0.772 nan 8.360 nan 0.000 0.457 30 G N -0.983 107.828 108.800 0.019 0.000 3.284 30 G HA2 0.418 4.378 3.960 -0.000 0.000 0.236 30 G HA3 0.418 4.378 3.960 -0.000 0.000 0.236 30 G C 0.151 175.071 174.900 0.033 0.000 1.158 30 G CA 0.334 45.452 45.100 0.029 0.000 0.774 30 G HN 0.528 nan 8.290 nan 0.000 0.545 31 G N -0.837 107.980 108.800 0.028 0.000 2.450 31 G HA2 0.520 4.480 3.960 -0.000 0.000 0.273 31 G HA3 0.520 4.480 3.960 -0.000 0.000 0.273 31 G C -2.183 172.732 174.900 0.025 0.000 1.221 31 G CA -0.206 44.916 45.100 0.036 0.000 0.900 31 G HN 0.840 nan 8.290 nan 0.000 0.483 32 L N -0.769 120.475 121.223 0.034 0.000 2.582 32 L HA 0.853 5.193 4.340 -0.000 0.000 0.257 32 L C -1.759 175.131 176.870 0.033 0.000 0.974 32 L CA -0.688 54.165 54.840 0.021 0.000 0.851 32 L CB 2.029 44.101 42.059 0.020 0.000 1.424 32 L HN 0.611 nan 8.230 nan 0.000 0.412 33 I N 2.491 123.068 120.570 0.011 0.000 2.466 33 I HA 0.507 4.677 4.170 -0.000 0.000 0.289 33 I C -0.819 175.290 176.117 -0.013 0.000 1.026 33 I CA -0.477 60.831 61.300 0.013 0.000 1.078 33 I CB 2.070 40.066 38.000 -0.008 0.000 1.249 33 I HN 0.633 nan 8.210 nan 0.000 0.429 34 E N 3.815 124.022 120.200 0.012 0.000 2.238 34 E HA 0.634 4.984 4.350 -0.000 0.000 0.267 34 E C -0.935 175.680 176.600 0.025 0.000 0.887 34 E CA -0.754 55.630 56.400 -0.027 0.000 0.769 34 E CB 2.738 32.403 29.700 -0.058 0.000 1.187 34 E HN 0.670 nan 8.360 nan 0.000 0.416 35 T N -1.606 112.948 114.554 0.001 0.000 2.903 35 T HA 0.439 4.789 4.350 -0.000 0.000 0.299 35 T C -0.919 173.882 174.700 0.168 0.000 1.093 35 T CA -0.913 61.284 62.100 0.162 0.000 1.002 35 T CB 0.936 69.852 68.868 0.081 0.000 1.127 35 T HN 0.389 nan 8.240 nan 0.000 0.488 36 W N 1.808 123.099 121.300 -0.016 0.000 2.438 36 W HA 0.364 5.024 4.660 0.000 0.000 0.324 36 W C 0.605 176.921 176.519 -0.340 0.000 1.119 36 W CA -0.722 56.564 57.345 -0.098 0.000 1.221 36 W CB 1.422 30.799 29.460 -0.138 0.000 1.253 36 W HN 0.672 nan 8.180 nan 0.000 0.555 37 N N 4.735 123.380 118.700 -0.093 0.000 2.438 37 N HA -0.013 4.727 4.740 -0.000 0.000 0.267 37 N C -1.343 173.931 175.510 -0.393 0.000 1.222 37 N CA -0.537 52.258 53.050 -0.425 0.000 0.930 37 N CB 1.289 39.732 38.487 -0.074 0.000 1.083 37 N HN 0.098 nan 8.380 nan 0.000 0.476 38 P HA 0.056 nan 4.420 nan 0.000 0.249 38 P C -0.163 177.083 177.300 -0.091 0.000 1.229 38 P CA 0.433 63.336 63.100 -0.328 0.000 0.788 38 P CB 0.458 31.941 31.700 -0.363 0.000 1.072 39 N N -0.044 118.614 118.700 -0.070 0.000 2.230 39 N HA 0.053 4.793 4.740 -0.000 0.000 0.202 39 N C 0.164 175.716 175.510 0.071 0.000 1.119 39 N CA 0.029 53.090 53.050 0.018 0.000 0.851 39 N CB -0.332 38.171 38.487 0.028 0.000 0.990 39 N HN 0.100 nan 8.380 nan 0.000 0.497 40 N N 0.826 119.601 118.700 0.126 0.000 2.525 40 N HA 0.076 4.816 4.740 -0.000 0.000 0.271 40 N C 1.205 176.783 175.510 0.112 0.000 1.194 40 N CA -0.077 53.058 53.050 0.142 0.000 0.964 40 N CB 1.301 39.916 38.487 0.215 0.000 1.126 40 N HN -0.052 nan 8.380 nan 0.000 0.452 41 K N 1.707 122.149 120.400 0.071 0.000 2.152 41 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 41 K C -0.979 175.624 176.600 0.005 0.000 1.048 41 K CA 1.237 57.548 56.287 0.041 0.000 0.933 41 K CB -0.502 32.020 32.500 0.036 0.000 0.721 41 K HN 0.422 nan 8.250 nan 0.000 0.447 42 P HA -0.162 nan 4.420 nan 0.000 0.214 42 P C 0.931 178.098 177.300 -0.221 0.000 1.163 42 P CA 1.376 64.373 63.100 -0.170 0.000 0.889 42 P CB 0.000 31.541 31.700 -0.265 0.000 0.790 43 F N -0.485 119.444 119.950 -0.034 0.000 2.163 43 F HA -0.119 4.408 4.527 -0.000 0.000 0.297 43 F C 2.534 178.300 175.800 -0.056 0.000 1.094 43 F CA 1.256 59.224 58.000 -0.053 0.000 1.290 43 F CB -1.097 37.873 39.000 -0.049 0.000 1.017 43 F HN -0.104 nan 8.300 nan 0.000 0.483 44 Q N -0.690 119.183 119.800 0.121 0.000 2.096 44 Q HA -0.259 4.081 4.340 -0.000 0.000 0.204 44 Q C 2.609 178.618 176.000 0.015 0.000 0.982 44 Q CA 1.804 57.640 55.803 0.055 0.000 0.850 44 Q CB -1.361 27.403 28.738 0.043 0.000 0.901 44 Q HN 0.559 nan 8.270 nan 0.000 0.422 45 c N 0.418 119.010 118.600 -0.013 0.000 2.446 45 c HA 0.024 4.594 4.570 -0.000 0.000 0.277 45 c C 2.859 176.909 174.090 -0.066 0.000 1.275 45 c CA 0.971 57.271 56.329 -0.048 0.000 1.727 45 c CB -0.999 41.459 42.510 -0.087 0.000 2.010 45 c HN 0.549 nan 8.230 nan 0.000 0.486 46 A N -0.388 122.386 122.820 -0.076 0.000 1.858 46 A HA 0.294 4.614 4.320 -0.000 0.000 0.216 46 A C 2.110 179.680 177.584 -0.024 0.000 1.190 46 A CA 2.297 54.289 52.037 -0.074 0.000 0.617 46 A CB -1.303 17.640 19.000 -0.095 0.000 0.827 46 A HN 1.800 nan 8.150 nan 0.000 0.443 47 G N -2.051 106.758 108.800 0.015 0.000 2.131 47 G HA2 0.070 4.030 3.960 -0.000 0.000 0.201 47 G HA3 0.070 4.030 3.960 -0.000 0.000 0.201 47 G C 0.122 175.028 174.900 0.009 0.000 1.000 47 G CA 0.484 45.589 45.100 0.007 0.000 0.680 47 G HN 1.826 nan 8.290 nan 0.000 0.514 48 V N -3.298 116.654 119.914 0.064 0.000 3.074 48 V HA 1.014 5.134 4.120 -0.000 0.000 0.314 48 V C 0.079 176.163 176.094 -0.017 0.000 1.117 48 V CA -0.803 61.514 62.300 0.028 0.000 1.014 48 V CB 2.055 33.908 31.823 0.050 0.000 1.057 48 V HN 1.845 nan 8.190 nan 0.000 0.438 49 A N 2.744 125.464 122.820 -0.167 0.000 2.310 49 A HA 0.782 5.102 4.320 -0.000 0.000 0.304 49 A C -0.825 176.625 177.584 -0.225 0.000 1.231 49 A CA -0.487 51.359 52.037 -0.317 0.000 0.799 49 A CB 0.855 19.584 19.000 -0.453 0.000 1.162 49 A HN 1.037 nan 8.150 nan 0.000 0.486 50 L N 2.027 123.042 121.223 -0.347 0.000 2.379 50 L HA 0.768 5.107 4.340 -0.000 0.000 0.269 50 L C 0.343 177.268 176.870 0.093 0.000 1.084 50 L CA -0.175 54.534 54.840 -0.218 0.000 0.802 50 L CB 1.822 43.633 42.059 -0.414 0.000 1.175 50 L HN 0.777 nan 8.230 nan 0.000 0.448 51 S N 3.524 119.295 115.700 0.119 0.000 2.565 51 S HA 0.562 5.032 4.470 -0.000 0.000 0.269 51 S C -1.345 173.405 174.600 0.251 0.000 1.153 51 S CA -0.810 57.565 58.200 0.292 0.000 0.835 51 S CB 1.765 65.101 63.200 0.228 0.000 1.122 51 S HN 0.709 nan 8.310 nan 0.000 0.462 52 R N 2.491 123.182 120.500 0.317 0.000 2.539 52 R HA 0.560 4.899 4.340 -0.000 0.000 0.295 52 R C -1.685 174.715 176.300 0.166 0.000 1.138 52 R CA -0.403 55.843 56.100 0.242 0.000 0.936 52 R CB 0.458 30.990 30.300 0.387 0.000 1.182 52 R HN 0.762 nan 8.270 nan 0.000 0.459 53 C N 2.350 121.730 119.300 0.132 0.000 2.350 53 C HA 0.604 5.064 4.460 -0.000 0.000 0.348 53 C C 0.471 175.531 174.990 0.116 0.000 1.260 53 C CA -0.484 58.608 59.018 0.124 0.000 1.966 53 C CB 1.193 29.027 27.740 0.156 0.000 2.380 53 C HN 0.739 nan 8.230 nan 0.000 0.535 54 T N 4.386 119.003 114.554 0.105 0.000 2.881 54 T HA 0.634 4.984 4.350 -0.000 0.000 0.291 54 T C -1.010 173.745 174.700 0.090 0.000 0.990 54 T CA -0.503 61.656 62.100 0.098 0.000 0.976 54 T CB 0.167 69.090 68.868 0.091 0.000 0.970 54 T HN 0.579 nan 8.240 nan 0.000 0.438 55 L N 4.446 125.728 121.223 0.098 0.000 2.313 55 L HA 0.594 4.934 4.340 -0.000 0.000 0.283 55 L C 0.418 177.317 176.870 0.048 0.000 1.013 55 L CA -1.155 53.735 54.840 0.084 0.000 0.816 55 L CB 1.307 43.435 42.059 0.115 0.000 1.236 55 L HN 0.635 nan 8.230 nan 0.000 0.419 56 N N 1.191 119.908 118.700 0.029 0.000 2.443 56 N HA 0.338 5.077 4.740 -0.000 0.000 0.294 56 N C -0.167 175.326 175.510 -0.029 0.000 1.289 56 N CA -0.888 52.166 53.050 0.007 0.000 0.966 56 N CB 0.485 38.980 38.487 0.013 0.000 1.122 56 N HN 0.496 nan 8.380 nan 0.000 0.569 57 R N 0.874 121.356 120.500 -0.031 0.000 2.585 57 R HA -0.071 4.269 4.340 -0.000 0.000 0.275 57 R C -0.435 175.837 176.300 -0.048 0.000 1.018 57 R CA 0.613 56.680 56.100 -0.055 0.000 1.072 57 R CB -0.404 29.880 30.300 -0.027 0.000 0.953 57 R HN 0.687 nan 8.270 nan 0.000 0.419 58 N N 0.560 119.200 118.700 -0.101 0.000 2.725 58 N HA -0.256 4.484 4.740 -0.000 0.000 0.249 58 N C -1.338 174.203 175.510 0.052 0.000 1.103 58 N CA 0.406 53.451 53.050 -0.008 0.000 0.707 58 N CB -0.536 37.997 38.487 0.077 0.000 1.043 58 N HN 0.630 nan 8.380 nan 0.000 0.553 59 A N 0.645 123.442 122.820 -0.038 0.000 2.324 59 A HA 0.728 5.048 4.320 -0.000 0.000 0.330 59 A C -0.318 177.378 177.584 0.187 0.000 1.165 59 A CA -0.494 51.589 52.037 0.077 0.000 0.813 59 A CB 1.282 20.313 19.000 0.051 0.000 1.197 59 A HN 0.212 nan 8.150 nan 0.000 0.484 60 L N 2.554 123.938 121.223 0.267 0.000 2.356 60 L HA 0.530 4.870 4.340 -0.000 0.000 0.277 60 L C -0.383 176.641 176.870 0.256 0.000 0.996 60 L CA -0.436 54.620 54.840 0.360 0.000 0.822 60 L CB 1.586 43.840 42.059 0.326 0.000 1.256 60 L HN 0.915 nan 8.230 nan 0.000 0.413 61 R N 5.463 126.148 120.500 0.309 0.000 2.205 61 R HA 0.328 4.668 4.340 -0.000 0.000 0.342 61 R C -0.151 176.288 176.300 0.232 0.000 1.058 61 R CA -0.601 55.641 56.100 0.236 0.000 0.904 61 R CB 0.515 30.965 30.300 0.249 0.000 1.089 61 R HN 0.699 nan 8.270 nan 0.000 0.471 62 R N 4.096 124.702 120.500 0.177 0.000 2.678 62 R HA -0.021 4.319 4.340 -0.000 0.000 0.264 62 R C -2.119 174.278 176.300 0.161 0.000 0.995 62 R CA -0.970 55.227 56.100 0.163 0.000 1.098 62 R CB -0.157 30.215 30.300 0.121 0.000 0.949 62 R HN 0.439 nan 8.270 nan 0.000 0.422 63 P HA -0.012 nan 4.420 nan 0.000 0.268 63 P C -0.689 176.604 177.300 -0.011 0.000 1.204 63 P CA 0.277 63.444 63.100 0.111 0.000 0.768 63 P CB 0.969 32.793 31.700 0.206 0.000 0.842 64 S N 1.855 117.413 115.700 -0.237 0.000 2.611 64 S HA 0.796 5.266 4.470 -0.000 0.000 0.268 64 S C -1.682 172.796 174.600 -0.203 0.000 1.156 64 S CA -0.823 57.168 58.200 -0.348 0.000 0.817 64 S CB 1.129 63.812 63.200 -0.863 0.000 1.122 64 S HN 0.479 nan 8.310 nan 0.000 0.466 65 Y N -1.381 118.829 120.300 -0.150 0.000 2.571 65 Y HA 0.835 5.385 4.550 -0.000 0.000 0.341 65 Y C -0.523 175.424 175.900 0.078 0.000 1.076 65 Y CA -0.767 57.324 58.100 -0.015 0.000 1.029 65 Y CB 1.070 39.509 38.460 -0.035 0.000 1.308 65 Y HN 0.944 nan 8.280 nan 0.000 0.461 66 T N -1.135 113.574 114.554 0.259 0.000 2.942 66 T HA 0.331 4.681 4.350 -0.000 0.000 0.289 66 T C -0.119 174.693 174.700 0.185 0.000 1.044 66 T CA -1.069 61.165 62.100 0.222 0.000 1.023 66 T CB 1.387 70.357 68.868 0.170 0.000 1.123 66 T HN 0.824 nan 8.240 nan 0.000 0.512 67 N N 0.048 118.842 118.700 0.157 0.000 2.597 67 N HA 0.315 5.055 4.740 -0.000 0.000 0.269 67 N C 0.218 175.764 175.510 0.059 0.000 1.204 67 N CA -0.579 52.525 53.050 0.089 0.000 0.947 67 N CB 0.192 38.746 38.487 0.111 0.000 1.258 67 N HN 0.928 nan 8.380 nan 0.000 0.508 68 G N 0.215 109.050 108.800 0.058 0.000 2.623 68 G HA2 0.403 4.363 3.960 -0.000 0.000 0.290 68 G HA3 0.403 4.363 3.960 -0.000 0.000 0.290 68 G C -3.361 171.563 174.900 0.040 0.000 1.437 68 G CA -1.109 44.010 45.100 0.032 0.000 0.798 68 G HN -0.095 nan 8.290 nan 0.000 0.488 69 P HA 0.112 nan 4.420 nan 0.000 0.262 69 P C -0.525 176.777 177.300 0.002 0.000 1.182 69 P CA 0.497 63.611 63.100 0.024 0.000 0.761 69 P CB 0.688 32.398 31.700 0.016 0.000 0.795 70 Q N 1.953 121.750 119.800 -0.005 0.000 2.397 70 Q HA 0.419 4.759 4.340 -0.000 0.000 0.275 70 Q C -1.254 174.700 176.000 -0.077 0.000 1.090 70 Q CA -0.728 55.052 55.803 -0.038 0.000 0.809 70 Q CB 1.863 30.602 28.738 0.002 0.000 1.362 70 Q HN 0.343 nan 8.270 nan 0.000 0.431 71 E N 4.237 124.378 120.200 -0.099 0.000 2.283 71 E HA 0.352 4.702 4.350 -0.000 0.000 0.258 71 E C -1.450 175.113 176.600 -0.062 0.000 0.893 71 E CA -0.416 55.956 56.400 -0.047 0.000 0.798 71 E CB 1.052 30.790 29.700 0.062 0.000 1.242 71 E HN 0.592 nan 8.360 nan 0.000 0.414 72 I N 4.795 125.283 120.570 -0.137 0.000 2.312 72 I HA 0.233 4.403 4.170 -0.000 0.000 0.290 72 I C -0.748 175.331 176.117 -0.062 0.000 1.008 72 I CA -0.943 60.258 61.300 -0.166 0.000 1.226 72 I CB 0.708 38.445 38.000 -0.438 0.000 1.371 72 I HN 0.530 nan 8.210 nan 0.000 0.468 73 Y N 7.563 127.858 120.300 -0.008 0.000 2.328 73 Y HA 0.519 5.069 4.550 -0.000 0.000 0.337 73 Y C -0.493 175.342 175.900 -0.107 0.000 1.008 73 Y CA -0.740 57.337 58.100 -0.038 0.000 1.129 73 Y CB 1.041 39.527 38.460 0.044 0.000 1.185 73 Y HN 0.423 nan 8.280 nan 0.000 0.476 74 I N 6.431 126.486 120.570 -0.858 0.000 2.291 74 I HA 0.096 4.266 4.170 -0.000 0.000 0.292 74 I C 1.218 176.981 176.117 -0.589 0.000 1.064 74 I CA 0.490 61.446 61.300 -0.574 0.000 1.269 74 I CB 1.197 38.923 38.000 -0.458 0.000 1.418 74 I HN 0.791 nan 8.210 nan 0.000 0.485 75 Q N 5.643 125.347 119.800 -0.160 0.000 2.046 75 Q HA -0.114 4.225 4.340 -0.000 0.000 0.200 75 Q C 0.126 176.155 176.000 0.048 0.000 0.975 75 Q CA 1.345 57.211 55.803 0.104 0.000 0.836 75 Q CB 0.400 29.283 28.738 0.241 0.000 0.896 75 Q HN 0.788 nan 8.270 nan 0.000 0.428 76 Q N -2.631 117.189 119.800 0.033 0.000 2.522 76 Q HA 0.553 4.893 4.340 -0.000 0.000 0.285 76 Q C -0.577 175.457 176.000 0.057 0.000 0.982 76 Q CA -0.502 55.325 55.803 0.041 0.000 0.805 76 Q CB 1.812 30.590 28.738 0.067 0.000 1.457 76 Q HN 0.226 nan 8.270 nan 0.000 0.394 77 G N 1.026 109.852 108.800 0.043 0.000 2.660 77 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.247 77 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.247 77 G C -1.489 173.438 174.900 0.045 0.000 1.328 77 G CA -0.373 44.754 45.100 0.044 0.000 0.884 77 G HN 0.711 nan 8.290 nan 0.000 0.531 78 K N -0.816 119.556 120.400 -0.046 0.000 2.532 78 K HA 0.782 5.102 4.320 -0.000 0.000 0.265 78 K C 0.290 176.579 176.600 -0.518 0.000 0.948 78 K CA -0.222 55.917 56.287 -0.247 0.000 0.842 78 K CB 2.174 34.565 32.500 -0.182 0.000 1.392 78 K HN 1.736 nan 8.250 nan 0.000 0.436 79 G N 0.801 108.900 108.800 -1.169 0.000 2.500 79 G HA2 0.591 4.551 3.960 -0.000 0.000 0.299 79 G HA3 0.591 4.551 3.960 -0.000 0.000 0.299 79 G C -1.697 172.651 174.900 -0.919 0.000 1.242 79 G CA -0.763 43.764 45.100 -0.954 0.000 0.859 79 G HN 0.621 nan 8.290 nan 0.000 0.481 80 I N -2.101 118.317 120.570 -0.254 0.000 2.969 80 I HA 0.947 5.117 4.170 -0.000 0.000 0.307 80 I C -1.069 175.308 176.117 0.434 0.000 1.149 80 I CA -1.364 60.009 61.300 0.121 0.000 1.008 80 I CB 2.482 40.570 38.000 0.146 0.000 1.232 80 I HN 0.739 nan 8.210 nan 0.000 0.435 81 F N 1.028 121.038 119.950 0.100 0.000 2.631 81 F HA 0.969 5.496 4.527 -0.000 0.000 0.308 81 F C -0.745 174.787 175.800 -0.446 0.000 1.097 81 F CA -0.838 57.059 58.000 -0.171 0.000 0.952 81 F CB 1.662 40.693 39.000 0.052 0.000 1.307 81 F HN 0.740 nan 8.300 nan 0.000 0.450 82 G N 3.790 111.951 108.800 -1.066 0.000 2.701 82 G HA2 0.586 4.546 3.960 -0.000 0.000 0.300 82 G HA3 0.586 4.546 3.960 -0.000 0.000 0.300 82 G C -1.531 173.210 174.900 -0.266 0.000 1.410 82 G CA -1.170 43.447 45.100 -0.806 0.000 1.014 82 G HN 0.614 nan 8.290 nan 0.000 0.509 83 M N 1.605 121.220 119.600 0.025 0.000 2.409 83 M HA 0.467 4.946 4.480 -0.000 0.000 0.329 83 M C -0.209 176.234 176.300 0.238 0.000 1.180 83 M CA -0.641 54.796 55.300 0.228 0.000 1.053 83 M CB 1.632 34.381 32.600 0.248 0.000 1.586 83 M HN 0.330 nan 8.290 nan 0.000 0.461 84 I N 2.118 122.840 120.570 0.254 0.000 2.692 84 I HA 0.199 4.369 4.170 -0.000 0.000 0.285 84 I C -0.989 175.221 176.117 0.154 0.000 1.191 84 I CA -0.504 60.925 61.300 0.215 0.000 1.128 84 I CB -0.057 38.064 38.000 0.202 0.000 1.585 84 I HN 0.490 nan 8.210 nan 0.000 0.558 85 Y N 7.423 127.769 120.300 0.076 0.000 2.436 85 Y HA 0.192 4.742 4.550 -0.000 0.000 0.336 85 Y C -1.102 174.814 175.900 0.028 0.000 1.049 85 Y CA -1.438 56.684 58.100 0.036 0.000 1.294 85 Y CB 0.980 39.445 38.460 0.009 0.000 1.179 85 Y HN 0.342 nan 8.280 nan 0.000 0.520 86 P HA -0.166 nan 4.420 nan 0.000 0.214 86 P C 0.620 177.985 177.300 0.109 0.000 1.163 86 P CA 1.788 64.862 63.100 -0.044 0.000 0.889 86 P CB 0.093 31.685 31.700 -0.181 0.000 0.790 87 G N -0.550 108.399 108.800 0.248 0.000 3.541 87 G HA2 0.347 4.307 3.960 -0.000 0.000 0.253 87 G HA3 0.347 4.307 3.960 -0.000 0.000 0.253 87 G C -0.263 174.755 174.900 0.197 0.000 1.017 87 G CA -0.180 45.046 45.100 0.211 0.000 1.832 87 G HN 0.286 nan 8.290 nan 0.000 0.649 88 c N 0.381 119.082 118.600 0.169 0.000 2.994 88 c HA 0.735 5.305 4.570 -0.000 0.000 0.304 88 c C -2.027 172.109 174.090 0.077 0.000 1.273 88 c CA -1.009 55.383 56.329 0.105 0.000 1.537 88 c CB 2.552 45.132 42.510 0.117 0.000 2.001 88 c HN 0.551 nan 8.230 nan 0.000 0.471 89 P HA 0.466 nan 4.420 nan 0.000 0.285 89 P C -1.094 176.231 177.300 0.041 0.000 1.269 89 P CA -0.108 63.014 63.100 0.037 0.000 0.844 89 P CB 1.208 32.920 31.700 0.020 0.000 1.094 90 S N 0.089 115.809 115.700 0.033 0.000 2.525 90 S HA 0.575 5.045 4.470 -0.000 0.000 0.290 90 S C -0.472 174.121 174.600 -0.012 0.000 1.152 90 S CA -0.004 58.215 58.200 0.032 0.000 1.072 90 S CB 0.537 63.762 63.200 0.041 0.000 1.027 90 S HN 0.775 nan 8.310 nan 0.000 0.500 111 H N 0.335 119.412 119.070 0.013 0.000 3.016 111 H HA 0.545 5.101 4.556 -0.000 0.000 0.362 111 H C -0.874 174.478 175.328 0.041 0.000 1.233 111 H CA -0.736 55.331 56.048 0.032 0.000 1.124 111 H CB 0.719 30.500 29.762 0.031 0.000 1.850 111 H HN 0.069 nan 8.280 nan 0.000 0.549 112 Q N 0.987 120.960 119.800 0.288 0.000 2.535 112 Q HA 0.147 4.487 4.340 -0.000 0.000 0.228 112 Q C 0.056 176.175 176.000 0.200 0.000 1.062 112 Q CA -0.662 55.262 55.803 0.202 0.000 0.967 112 Q CB 0.743 29.579 28.738 0.164 0.000 1.273 112 Q HN 0.442 nan 8.270 nan 0.000 0.554 113 K N 1.419 121.846 120.400 0.045 0.000 2.485 113 K HA 0.053 4.373 4.320 -0.000 0.000 0.277 113 K C -0.626 175.781 176.600 -0.322 0.000 0.990 113 K CA 0.676 56.869 56.287 -0.157 0.000 0.994 113 K CB 0.123 32.465 32.500 -0.263 0.000 0.906 113 K HN 0.414 nan 8.250 nan 0.000 0.488 114 I N 4.636 124.938 120.570 -0.446 0.000 2.466 114 I HA 0.211 4.381 4.170 -0.000 0.000 0.289 114 I C -0.857 174.890 176.117 -0.617 0.000 1.026 114 I CA -0.942 60.083 61.300 -0.458 0.000 1.078 114 I CB 1.077 38.986 38.000 -0.152 0.000 1.249 114 I HN 0.399 nan 8.210 nan 0.000 0.429 115 Y N 3.602 123.655 120.300 -0.411 0.000 2.496 115 Y HA 0.451 5.001 4.550 -0.000 0.000 0.331 115 Y C 0.199 176.080 175.900 -0.032 0.000 1.140 115 Y CA -0.872 57.099 58.100 -0.214 0.000 1.166 115 Y CB 0.879 39.211 38.460 -0.213 0.000 1.249 115 Y HN 0.493 nan 8.280 nan 0.000 0.479 116 N N 1.066 119.886 118.700 0.200 0.000 2.447 116 N HA 0.660 5.400 4.740 -0.000 0.000 0.271 116 N C -1.557 174.138 175.510 0.308 0.000 1.226 116 N CA -0.622 52.512 53.050 0.140 0.000 0.980 116 N CB 1.044 39.553 38.487 0.037 0.000 1.206 116 N HN 0.492 nan 8.380 nan 0.000 0.558 117 F N -2.574 117.448 119.950 0.120 0.000 2.654 117 F HA 0.707 5.234 4.527 -0.000 0.000 0.308 117 F C -1.159 174.626 175.800 -0.025 0.000 1.108 117 F CA -1.266 56.759 58.000 0.042 0.000 0.957 117 F CB 1.140 40.152 39.000 0.021 0.000 1.309 117 F HN 0.278 nan 8.300 nan 0.000 0.446 118 R N 0.066 120.693 120.500 0.211 0.000 2.950 118 R HA 0.511 4.851 4.340 -0.000 0.000 0.253 118 R C -1.209 175.108 176.300 0.029 0.000 1.168 118 R CA -1.310 54.836 56.100 0.076 0.000 1.014 118 R CB 0.729 31.016 30.300 -0.021 0.000 1.228 118 R HN 0.677 nan 8.270 nan 0.000 0.487 119 E N 0.359 120.530 120.200 -0.047 0.000 2.415 119 E HA 0.245 4.595 4.350 -0.000 0.000 0.262 119 E C 0.493 176.940 176.600 -0.256 0.000 1.038 119 E CA 0.948 57.263 56.400 -0.142 0.000 0.921 119 E CB 0.272 29.913 29.700 -0.097 0.000 0.950 119 E HN 0.796 nan 8.360 nan 0.000 0.438 120 G N 2.444 110.975 108.800 -0.448 0.000 2.179 120 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.260 120 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.260 120 G C -0.267 174.371 174.900 -0.436 0.000 0.977 120 G CA 0.079 44.892 45.100 -0.479 0.000 0.641 120 G HN 0.557 nan 8.290 nan 0.000 0.533 121 D N -0.119 120.014 120.400 -0.444 0.000 2.304 121 D HA 0.499 5.139 4.640 -0.000 0.000 0.250 121 D C 0.165 176.238 176.300 -0.377 0.000 1.107 121 D CA -0.164 53.626 54.000 -0.351 0.000 0.885 121 D CB 1.549 42.191 40.800 -0.263 0.000 1.192 121 D HN 0.205 nan 8.370 nan 0.000 0.436 122 L N 4.314 125.383 121.223 -0.256 0.000 2.295 122 L HA 0.417 4.757 4.340 -0.000 0.000 0.281 122 L C -0.839 175.931 176.870 -0.165 0.000 1.018 122 L CA -0.307 54.463 54.840 -0.118 0.000 0.841 122 L CB 0.517 42.589 42.059 0.021 0.000 1.218 122 L HN 0.302 nan 8.230 nan 0.000 0.424 123 I N 4.580 125.002 120.570 -0.246 0.000 2.396 123 I HA 0.520 4.690 4.170 -0.000 0.000 0.292 123 I C 0.303 176.334 176.117 -0.144 0.000 0.999 123 I CA -0.483 60.619 61.300 -0.330 0.000 1.310 123 I CB 1.640 39.140 38.000 -0.834 0.000 1.404 123 I HN 0.730 nan 8.210 nan 0.000 0.496 124 A N 6.645 129.456 122.820 -0.015 0.000 2.288 124 A HA 0.637 4.957 4.320 -0.000 0.000 0.320 124 A C -0.579 176.918 177.584 -0.145 0.000 1.217 124 A CA -0.426 51.567 52.037 -0.074 0.000 0.840 124 A CB 0.921 19.819 19.000 -0.170 0.000 1.179 124 A HN 0.466 nan 8.150 nan 0.000 0.504 125 V N 5.724 125.550 119.914 -0.147 0.000 2.275 125 V HA 0.241 4.361 4.120 -0.000 0.000 0.272 125 V C -2.338 173.759 176.094 0.004 0.000 1.028 125 V CA -1.536 60.699 62.300 -0.108 0.000 0.810 125 V CB 0.927 32.618 31.823 -0.220 0.000 1.043 125 V HN 0.752 nan 8.190 nan 0.000 0.453 126 P HA 0.037 nan 4.420 nan 0.000 0.266 126 P C 0.389 177.762 177.300 0.123 0.000 1.193 126 P CA 0.267 63.440 63.100 0.122 0.000 0.770 126 P CB 0.208 32.004 31.700 0.160 0.000 0.836 127 T N 2.545 117.173 114.554 0.123 0.000 2.867 127 T HA 0.165 4.515 4.350 -0.000 0.000 0.290 127 T C 1.549 176.277 174.700 0.046 0.000 1.025 127 T CA 1.396 63.547 62.100 0.085 0.000 1.146 127 T CB -0.613 68.296 68.868 0.069 0.000 1.024 127 T HN 0.869 nan 8.240 nan 0.000 0.519 128 G N 2.135 110.963 108.800 0.047 0.000 2.196 128 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.268 128 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.268 128 G C 0.328 175.164 174.900 -0.107 0.000 0.975 128 G CA 0.226 45.304 45.100 -0.036 0.000 0.648 128 G HN 0.821 nan 8.290 nan 0.000 0.538 129 V N 0.897 120.815 119.914 0.007 0.000 2.686 129 V HA 0.605 4.725 4.120 -0.000 0.000 0.295 129 V C 0.954 177.166 176.094 0.197 0.000 1.055 129 V CA 0.077 62.385 62.300 0.013 0.000 1.050 129 V CB 1.427 33.300 31.823 0.084 0.000 0.984 129 V HN 1.022 nan 8.190 nan 0.000 0.482 130 A N 5.876 128.803 122.820 0.177 0.000 2.303 130 A HA 0.885 5.205 4.320 -0.000 0.000 0.317 130 A C -0.616 177.185 177.584 0.362 0.000 1.149 130 A CA -0.561 51.633 52.037 0.261 0.000 0.822 130 A CB 0.929 20.054 19.000 0.208 0.000 1.131 130 A HN 1.019 nan 8.150 nan 0.000 0.493 131 W N 0.852 122.276 121.300 0.208 0.000 3.075 131 W HA 0.711 5.371 4.660 -0.000 0.000 0.334 131 W C -1.733 174.947 176.519 0.268 0.000 1.243 131 W CA -1.321 56.132 57.345 0.180 0.000 1.170 131 W CB 0.486 30.031 29.460 0.142 0.000 1.452 131 W HN 0.930 nan 8.180 nan 0.000 0.572 132 W N 1.890 123.430 121.300 0.401 0.000 2.950 132 W HA 0.802 5.462 4.660 -0.000 0.000 0.340 132 W C -1.815 175.023 176.519 0.531 0.000 1.139 132 W CA -1.721 55.788 57.345 0.272 0.000 1.188 132 W CB 1.503 31.064 29.460 0.168 0.000 1.426 132 W HN 0.487 nan 8.180 nan 0.000 0.531 133 M N 3.297 123.291 119.600 0.656 0.000 2.572 133 M HA 0.592 5.072 4.480 -0.000 0.000 0.299 133 M C -2.320 174.386 176.300 0.677 0.000 1.205 133 M CA -0.726 54.950 55.300 0.626 0.000 0.876 133 M CB 3.447 36.423 32.600 0.627 0.000 1.728 133 M HN 0.561 nan 8.290 nan 0.000 0.458 134 Y N 2.615 123.195 120.300 0.466 0.000 2.534 134 Y HA 0.613 5.163 4.550 -0.000 0.000 0.345 134 Y C -1.807 174.218 175.900 0.207 0.000 1.031 134 Y CA -0.752 57.551 58.100 0.338 0.000 1.022 134 Y CB 1.719 40.405 38.460 0.377 0.000 1.292 134 Y HN 0.805 nan 8.280 nan 0.000 0.459 135 N N 2.938 121.265 118.700 -0.622 0.000 2.258 135 N HA 0.257 4.997 4.740 -0.000 0.000 0.299 135 N C -1.196 173.851 175.510 -0.771 0.000 1.047 135 N CA -0.464 52.289 53.050 -0.494 0.000 0.814 135 N CB 1.787 40.161 38.487 -0.189 0.000 1.413 135 N HN 0.821 nan 8.380 nan 0.000 0.478 136 N N 0.819 119.259 118.700 -0.433 0.000 2.166 136 N HA 0.135 4.875 4.740 -0.000 0.000 0.213 136 N C -0.746 174.697 175.510 -0.111 0.000 1.222 136 N CA 0.116 53.015 53.050 -0.250 0.000 0.900 136 N CB 0.508 38.971 38.487 -0.040 0.000 1.055 136 N HN 0.496 nan 8.380 nan 0.000 0.515 137 E N -0.021 120.115 120.200 -0.107 0.000 2.561 137 E HA 0.117 4.467 4.350 -0.000 0.000 0.254 137 E C 0.079 176.654 176.600 -0.043 0.000 1.213 137 E CA -0.280 56.085 56.400 -0.058 0.000 0.995 137 E CB 0.436 30.104 29.700 -0.053 0.000 1.233 137 E HN 0.141 nan 8.360 nan 0.000 0.556 138 D N 0.335 120.721 120.400 -0.023 0.000 2.213 138 D HA -0.027 4.613 4.640 -0.000 0.000 0.205 138 D C -0.062 176.235 176.300 -0.005 0.000 0.961 138 D CA 0.778 54.772 54.000 -0.011 0.000 0.853 138 D CB 0.165 40.963 40.800 -0.003 0.000 0.967 138 D HN 0.331 nan 8.370 nan 0.000 0.496 139 T N 3.110 117.661 114.554 -0.005 0.000 2.784 139 T HA 0.220 4.570 4.350 -0.000 0.000 0.291 139 T C -2.414 172.290 174.700 0.008 0.000 0.942 139 T CA -1.261 60.843 62.100 0.006 0.000 1.161 139 T CB 1.049 69.920 68.868 0.005 0.000 0.885 139 T HN -0.059 nan 8.240 nan 0.000 0.534 140 P HA 0.290 nan 4.420 nan 0.000 0.274 140 P C -0.454 176.880 177.300 0.057 0.000 1.231 140 P CA -0.690 62.430 63.100 0.033 0.000 0.790 140 P CB 0.549 32.274 31.700 0.041 0.000 0.951 141 V N 3.167 123.129 119.914 0.080 0.000 2.498 141 V HA 0.171 4.291 4.120 -0.000 0.000 0.279 141 V C 0.186 176.346 176.094 0.109 0.000 1.048 141 V CA -0.139 62.238 62.300 0.129 0.000 0.967 141 V CB 1.361 33.324 31.823 0.232 0.000 0.988 141 V HN 0.220 nan 8.190 nan 0.000 0.473 142 V N 4.778 124.749 119.914 0.096 0.000 2.376 142 V HA 0.722 4.842 4.120 -0.000 0.000 0.287 142 V C 0.191 176.319 176.094 0.057 0.000 1.015 142 V CA -0.457 61.901 62.300 0.097 0.000 0.834 142 V CB 1.481 33.379 31.823 0.125 0.000 1.001 142 V HN 0.954 nan 8.190 nan 0.000 0.428 143 A N 4.737 127.582 122.820 0.041 0.000 2.291 143 A HA 0.791 5.111 4.320 -0.000 0.000 0.311 143 A C -0.785 176.808 177.584 0.015 0.000 1.224 143 A CA -0.568 51.454 52.037 -0.025 0.000 0.821 143 A CB 1.662 20.613 19.000 -0.081 0.000 1.172 143 A HN 0.832 nan 8.150 nan 0.000 0.494 144 V N 3.707 123.635 119.914 0.022 0.000 2.435 144 V HA 0.811 4.931 4.120 -0.000 0.000 0.290 144 V C 0.027 176.111 176.094 -0.017 0.000 1.030 144 V CA 0.440 62.716 62.300 -0.041 0.000 0.881 144 V CB 1.569 33.209 31.823 -0.304 0.000 0.983 144 V HN 1.397 nan 8.190 nan 0.000 0.445 145 S N 6.910 122.539 115.700 -0.118 0.000 2.661 145 S HA 0.822 5.292 4.470 -0.000 0.000 0.285 145 S C -0.757 173.603 174.600 -0.399 0.000 1.138 145 S CA -0.808 57.251 58.200 -0.235 0.000 0.855 145 S CB 1.881 65.012 63.200 -0.115 0.000 1.136 145 S HN 1.300 nan 8.310 nan 0.000 0.484 146 I N -1.430 118.840 120.570 -0.500 0.000 2.582 146 I HA 0.673 4.843 4.170 -0.000 0.000 0.292 146 I C -1.452 174.539 176.117 -0.210 0.000 1.066 146 I CA -1.329 59.726 61.300 -0.409 0.000 1.053 146 I CB 1.625 39.281 38.000 -0.573 0.000 1.241 146 I HN 0.632 nan 8.210 nan 0.000 0.421 147 I N 4.166 124.652 120.570 -0.142 0.000 2.330 147 I HA 0.227 4.396 4.170 -0.000 0.000 0.289 147 I C -0.617 175.439 176.117 -0.102 0.000 1.001 147 I CA -0.256 60.987 61.300 -0.095 0.000 1.193 147 I CB 1.362 39.300 38.000 -0.103 0.000 1.345 147 I HN 0.622 nan 8.210 nan 0.000 0.461 148 D N 4.800 125.160 120.400 -0.068 0.000 2.435 148 D HA 0.008 4.648 4.640 -0.000 0.000 0.230 148 D C 1.452 177.724 176.300 -0.048 0.000 1.215 148 D CA -0.168 53.801 54.000 -0.052 0.000 0.947 148 D CB 0.803 41.584 40.800 -0.031 0.000 1.048 148 D HN 0.649 nan 8.370 nan 0.000 0.512 149 T N 0.500 115.014 114.554 -0.066 0.000 3.163 149 T HA -0.090 4.260 4.350 -0.000 0.000 0.260 149 T C 1.084 175.763 174.700 -0.036 0.000 1.156 149 T CA 0.262 62.324 62.100 -0.062 0.000 1.072 149 T CB -0.255 68.555 68.868 -0.096 0.000 0.937 149 T HN 0.226 nan 8.240 nan 0.000 0.528 150 N N 0.896 119.580 118.700 -0.027 0.000 2.389 150 N HA 0.279 5.019 4.740 -0.000 0.000 0.260 150 N C -0.414 175.088 175.510 -0.014 0.000 1.191 150 N CA -0.214 52.825 53.050 -0.018 0.000 0.885 150 N CB 0.569 39.046 38.487 -0.015 0.000 1.162 150 N HN 0.265 nan 8.380 nan 0.000 0.512 151 S N -0.210 115.482 115.700 -0.013 0.000 2.610 151 S HA 0.188 4.658 4.470 -0.000 0.000 0.273 151 S C 1.206 175.801 174.600 -0.009 0.000 1.274 151 S CA -0.570 57.624 58.200 -0.010 0.000 1.023 151 S CB 0.569 63.766 63.200 -0.006 0.000 0.962 151 S HN 0.209 nan 8.310 nan 0.000 0.523 152 L N 3.228 124.444 121.223 -0.012 0.000 2.191 152 L HA 0.022 4.362 4.340 -0.000 0.000 0.212 152 L C 2.341 179.205 176.870 -0.011 0.000 1.103 152 L CA 1.735 56.566 54.840 -0.014 0.000 0.769 152 L CB -0.772 41.274 42.059 -0.022 0.000 0.908 152 L HN 0.732 nan 8.230 nan 0.000 0.438 153 E N -0.900 119.295 120.200 -0.007 0.000 2.208 153 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 153 E C 0.642 177.245 176.600 0.006 0.000 0.988 153 E CA 0.145 56.545 56.400 -0.000 0.000 0.828 153 E CB -0.329 29.377 29.700 0.011 0.000 0.763 153 E HN 0.396 nan 8.360 nan 0.000 0.478 154 N N 1.842 120.545 118.700 0.006 0.000 2.402 154 N HA -0.041 4.699 4.740 -0.000 0.000 0.252 154 N C 0.258 175.775 175.510 0.011 0.000 1.118 154 N CA 0.284 53.341 53.050 0.012 0.000 0.945 154 N CB 0.673 39.164 38.487 0.006 0.000 1.147 154 N HN -0.056 nan 8.380 nan 0.000 0.495 155 Q N 2.720 122.530 119.800 0.016 0.000 2.282 155 Q HA 0.202 4.542 4.340 -0.000 0.000 0.206 155 Q C 0.544 176.559 176.000 0.026 0.000 0.878 155 Q CA 0.041 55.854 55.803 0.016 0.000 0.944 155 Q CB 0.655 29.400 28.738 0.012 0.000 1.100 155 Q HN 0.630 nan 8.270 nan 0.000 0.509 156 L N 0.128 121.373 121.223 0.036 0.000 2.497 156 L HA 0.164 4.504 4.340 -0.000 0.000 0.192 156 L C 0.245 177.133 176.870 0.030 0.000 1.323 156 L CA 0.076 54.943 54.840 0.046 0.000 2.901 156 L CB -0.024 42.081 42.059 0.076 0.000 2.761 156 L HN 0.164 nan 8.230 nan 0.000 1.096 157 D N -2.655 117.761 120.400 0.027 0.000 2.614 157 D HA 0.131 4.771 4.640 -0.000 0.000 0.264 157 D C 0.137 176.437 176.300 0.001 0.000 1.092 157 D CA -0.684 53.324 54.000 0.014 0.000 1.071 157 D CB 0.551 41.360 40.800 0.016 0.000 1.443 157 D HN 0.374 nan 8.370 nan 0.000 0.528 158 Q N -1.033 118.763 119.800 -0.007 0.000 2.364 158 Q HA -0.052 4.288 4.340 -0.000 0.000 0.209 158 Q C 0.337 176.309 176.000 -0.046 0.000 0.977 158 Q CA 0.493 56.282 55.803 -0.024 0.000 0.885 158 Q CB -0.197 28.531 28.738 -0.016 0.000 0.941 158 Q HN 0.289 nan 8.270 nan 0.000 0.464 159 M N 3.489 123.070 119.600 -0.032 0.000 2.356 159 M HA 0.167 4.647 4.480 -0.000 0.000 0.348 159 M C -2.208 174.033 176.300 -0.098 0.000 1.595 159 M CA -2.517 52.757 55.300 -0.044 0.000 1.095 159 M CB 0.410 33.009 32.600 -0.002 0.000 1.963 159 M HN 0.119 nan 8.290 nan 0.000 0.459 160 P HA 0.278 nan 4.420 nan 0.000 0.271 160 P C -1.222 175.930 177.300 -0.246 0.000 1.216 160 P CA -0.105 62.739 63.100 -0.426 0.000 0.776 160 P CB 0.490 31.579 31.700 -1.017 0.000 0.881 161 R N 0.939 121.366 120.500 -0.122 0.000 2.604 161 R HA 0.676 5.016 4.340 -0.000 0.000 0.270 161 R C -0.907 175.450 176.300 0.095 0.000 1.052 161 R CA -1.155 54.960 56.100 0.026 0.000 0.902 161 R CB 1.963 32.212 30.300 -0.085 0.000 1.233 161 R HN 0.342 nan 8.270 nan 0.000 0.455 162 R N 2.064 122.606 120.500 0.070 0.000 2.562 162 R HA 0.479 4.819 4.340 -0.000 0.000 0.298 162 R C -1.418 174.742 176.300 -0.233 0.000 0.961 162 R CA -0.623 55.471 56.100 -0.011 0.000 0.881 162 R CB 1.136 31.407 30.300 -0.048 0.000 1.159 162 R HN 0.542 nan 8.270 nan 0.000 0.450 163 F N 4.299 123.900 119.950 -0.582 0.000 2.347 163 F HA 0.341 4.868 4.527 0.000 0.000 0.366 163 F C -0.681 174.726 175.800 -0.656 0.000 1.107 163 F CA -0.737 56.871 58.000 -0.654 0.000 1.058 163 F CB 0.665 38.987 39.000 -1.129 0.000 1.236 163 F HN 0.401 nan 8.300 nan 0.000 0.456 164 Y N 2.757 122.990 120.300 -0.112 0.000 2.319 164 Y HA 0.160 4.710 4.550 -0.000 0.000 0.328 164 Y C 1.109 177.020 175.900 0.019 0.000 1.133 164 Y CA -0.163 57.901 58.100 -0.060 0.000 1.265 164 Y CB 0.882 39.307 38.460 -0.059 0.000 1.218 164 Y HN 0.503 nan 8.280 nan 0.000 0.508 165 L N 2.597 123.945 121.223 0.207 0.000 2.044 165 L HA 0.098 4.438 4.340 -0.000 0.000 0.205 165 L C 0.939 177.911 176.870 0.169 0.000 1.075 165 L CA 1.409 56.374 54.840 0.209 0.000 0.747 165 L CB -0.406 41.772 42.059 0.197 0.000 0.903 165 L HN 0.722 nan 8.230 nan 0.000 0.435 166 A N -2.236 120.670 122.820 0.143 0.000 2.430 166 A HA 0.700 5.020 4.320 -0.000 0.000 0.300 166 A C -0.093 177.511 177.584 0.032 0.000 1.124 166 A CA -0.175 51.907 52.037 0.075 0.000 0.766 166 A CB 0.889 19.913 19.000 0.040 0.000 1.328 166 A HN 0.433 nan 8.150 nan 0.000 0.424 167 G N 0.789 109.586 108.800 -0.006 0.000 2.850 167 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.686 167 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.686 167 G C -0.800 174.054 174.900 -0.076 0.000 1.164 167 G CA -0.481 44.588 45.100 -0.051 0.000 0.826 167 G HN 0.870 nan 8.290 nan 0.000 0.586 168 N N 2.660 121.316 118.700 -0.073 0.000 2.411 168 N HA 0.471 5.211 4.740 -0.000 0.000 0.259 168 N C 0.321 175.763 175.510 -0.114 0.000 1.103 168 N CA 0.460 53.463 53.050 -0.078 0.000 0.954 168 N CB 1.253 39.705 38.487 -0.057 0.000 1.085 168 N HN 0.997 nan 8.380 nan 0.000 0.485 169 Q N 0.687 120.404 119.800 -0.138 0.000 2.805 169 Q HA 0.054 4.394 4.340 -0.000 0.000 0.257 169 Q C -1.443 174.457 176.000 -0.167 0.000 0.977 169 Q CA -0.745 54.956 55.803 -0.170 0.000 0.901 169 Q CB 0.557 29.147 28.738 -0.247 0.000 1.778 169 Q HN 0.602 nan 8.270 nan 0.000 0.441 170 E N 2.142 122.261 120.200 -0.134 0.000 2.313 170 E HA 0.238 4.588 4.350 -0.000 0.000 0.276 170 E C -0.068 176.477 176.600 -0.092 0.000 1.031 170 E CA -0.672 55.668 56.400 -0.100 0.000 0.857 170 E CB 1.226 30.871 29.700 -0.091 0.000 1.040 170 E HN 0.598 nan 8.360 nan 0.000 0.408 171 Q N 2.833 122.627 119.800 -0.009 0.000 2.392 171 Q HA -0.073 4.267 4.340 -0.000 0.000 0.262 171 Q C -0.054 175.949 176.000 0.005 0.000 1.003 171 Q CA 0.254 56.122 55.803 0.108 0.000 0.888 171 Q CB 0.921 29.738 28.738 0.132 0.000 1.260 171 Q HN 0.682 nan 8.270 nan 0.000 0.435 172 E N 2.395 122.571 120.200 -0.040 0.000 2.086 172 E HA -0.198 4.152 4.350 -0.000 0.000 0.200 172 E C 0.974 177.398 176.600 -0.292 0.000 1.012 172 E CA 2.032 58.272 56.400 -0.267 0.000 0.812 172 E CB -0.281 29.085 29.700 -0.557 0.000 0.743 172 E HN 0.648 nan 8.360 nan 0.000 0.453 173 F N 0.403 120.405 119.950 0.087 0.000 2.804 173 F HA 0.113 4.640 4.527 -0.000 0.000 0.303 173 F C 1.691 177.518 175.800 0.045 0.000 1.154 173 F CA -0.008 58.090 58.000 0.164 0.000 1.401 173 F CB -0.077 39.019 39.000 0.161 0.000 1.106 173 F HN 0.052 nan 8.300 nan 0.000 0.568 174 L N 0.629 121.888 121.223 0.060 0.000 2.093 174 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 174 L C 2.593 179.410 176.870 -0.089 0.000 1.085 174 L CA 1.711 56.543 54.840 -0.012 0.000 0.755 174 L CB -0.494 41.534 42.059 -0.051 0.000 0.904 174 L HN 0.102 nan 8.230 nan 0.000 0.435 175 K N 0.261 120.509 120.400 -0.253 0.000 2.113 175 K HA -0.248 4.072 4.320 -0.000 0.000 0.208 175 K C 1.913 178.297 176.600 -0.361 0.000 1.047 175 K CA 1.865 57.911 56.287 -0.401 0.000 0.928 175 K CB -0.399 31.694 32.500 -0.679 0.000 0.716 175 K HN 0.431 nan 8.250 nan 0.000 0.446 176 Y N 0.546 120.881 120.300 0.057 0.000 2.519 176 Y HA 0.071 4.621 4.550 -0.000 0.000 0.287 176 Y C 2.559 178.484 175.900 0.041 0.000 1.128 176 Y CA 0.490 58.626 58.100 0.060 0.000 1.282 176 Y CB -0.314 38.205 38.460 0.098 0.000 1.027 176 Y HN 0.199 nan 8.280 nan 0.000 0.551 177 Q N 0.937 120.816 119.800 0.132 0.000 2.016 177 Q HA -0.142 4.198 4.340 -0.000 0.000 0.200 177 Q C 0.963 176.990 176.000 0.045 0.000 0.978 177 Q CA 1.147 56.996 55.803 0.076 0.000 0.833 177 Q CB 0.095 28.857 28.738 0.040 0.000 0.895 177 Q HN 0.631 nan 8.270 nan 0.000 0.427 199 G N -0.598 108.165 108.800 -0.062 0.000 2.663 199 G HA2 0.401 4.361 3.960 -0.000 0.000 0.686 199 G HA3 0.401 4.361 3.960 -0.000 0.000 0.686 199 G C -0.016 174.872 174.900 -0.020 0.000 1.288 199 G CA 0.331 45.404 45.100 -0.046 0.000 0.836 199 G HN 1.916 nan 8.290 nan 0.000 0.584 200 S N -0.788 114.918 115.700 0.011 0.000 2.713 200 S HA 0.673 5.143 4.470 -0.000 0.000 0.283 200 S C 2.100 176.736 174.600 0.061 0.000 1.161 200 S CA -0.070 58.170 58.200 0.067 0.000 0.999 200 S CB 1.308 64.568 63.200 0.101 0.000 1.039 200 S HN 1.815 nan 8.310 nan 0.000 0.548 201 I N -1.589 119.046 120.570 0.109 0.000 2.335 201 I HA -0.109 4.061 4.170 -0.000 0.000 0.251 201 I C 1.736 177.923 176.117 0.116 0.000 1.129 201 I CA 1.353 62.721 61.300 0.113 0.000 1.402 201 I CB -0.537 37.612 38.000 0.248 0.000 1.069 201 I HN 0.404 nan 8.210 nan 0.000 0.424 202 L N 1.727 123.074 121.223 0.207 0.000 2.240 202 L HA -0.045 4.295 4.340 -0.000 0.000 0.211 202 L C 2.747 179.753 176.870 0.227 0.000 1.106 202 L CA 1.853 56.884 54.840 0.318 0.000 0.793 202 L CB -0.658 41.561 42.059 0.267 0.000 0.927 202 L HN 0.479 nan 8.230 nan 0.000 0.446 203 S N -2.027 113.731 115.700 0.097 0.000 2.561 203 S HA 0.024 4.494 4.470 -0.000 0.000 0.225 203 S C 1.832 176.435 174.600 0.005 0.000 0.977 203 S CA 0.483 58.715 58.200 0.052 0.000 0.926 203 S CB -0.525 62.686 63.200 0.018 0.000 0.769 203 S HN 0.367 nan 8.310 nan 0.000 0.533 204 G N -0.011 108.743 108.800 -0.077 0.000 2.683 204 G HA2 0.280 4.240 3.960 -0.000 0.000 0.213 204 G HA3 0.280 4.240 3.960 -0.000 0.000 0.213 204 G C 0.215 174.966 174.900 -0.249 0.000 1.142 204 G CA -0.298 44.688 45.100 -0.189 0.000 0.793 204 G HN 0.399 nan 8.290 nan 0.000 0.534 205 F N 0.698 120.672 119.950 0.040 0.000 2.299 205 F HA 0.421 4.948 4.527 -0.000 0.000 0.293 205 F C 1.161 176.954 175.800 -0.012 0.000 1.252 205 F CA -0.190 57.823 58.000 0.022 0.000 1.160 205 F CB 0.308 39.382 39.000 0.123 0.000 1.405 205 F HN -0.294 nan 8.300 nan 0.000 0.517 206 T N 1.746 116.431 114.554 0.218 0.000 2.845 206 T HA 0.158 4.508 4.350 -0.000 0.000 0.288 206 T C 0.967 175.782 174.700 0.191 0.000 0.980 206 T CA -0.462 61.691 62.100 0.089 0.000 1.071 206 T CB 0.910 69.717 68.868 -0.102 0.000 0.941 206 T HN 0.417 nan 8.240 nan 0.000 0.487 207 L N 3.541 124.847 121.223 0.137 0.000 2.189 207 L HA -0.096 4.244 4.340 -0.000 0.000 0.214 207 L C 2.208 179.176 176.870 0.164 0.000 1.097 207 L CA 1.837 56.757 54.840 0.134 0.000 0.764 207 L CB -0.537 41.573 42.059 0.085 0.000 0.900 207 L HN 0.671 nan 8.230 nan 0.000 0.436 208 E N -2.293 118.027 120.200 0.200 0.000 2.250 208 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 208 E C 2.177 178.984 176.600 0.345 0.000 0.986 208 E CA 0.609 57.148 56.400 0.231 0.000 0.849 208 E CB -0.654 29.181 29.700 0.225 0.000 0.797 208 E HN 0.347 nan 8.360 nan 0.000 0.482 209 F N 1.215 121.229 119.950 0.107 0.000 2.325 209 F HA -0.042 4.485 4.527 0.000 0.000 0.299 209 F C 2.017 177.840 175.800 0.039 0.000 1.090 209 F CA 0.480 58.508 58.000 0.048 0.000 1.392 209 F CB -0.110 38.886 39.000 -0.006 0.000 1.053 209 F HN -0.026 nan 8.300 nan 0.000 0.521 210 L N -0.357 121.037 121.223 0.285 0.000 2.068 210 L HA -0.131 4.209 4.340 -0.000 0.000 0.204 210 L C 2.332 179.376 176.870 0.290 0.000 1.076 210 L CA 1.442 56.461 54.840 0.298 0.000 0.753 210 L CB -1.538 40.656 42.059 0.224 0.000 0.910 210 L HN 0.157 nan 8.230 nan 0.000 0.439 211 E N -0.958 119.367 120.200 0.208 0.000 2.114 211 E HA -0.305 4.045 4.350 -0.000 0.000 0.199 211 E C 2.253 178.959 176.600 0.177 0.000 1.008 211 E CA 1.528 58.024 56.400 0.161 0.000 0.810 211 E CB 0.040 29.814 29.700 0.124 0.000 0.739 211 E HN 0.410 nan 8.360 nan 0.000 0.456 212 H N -0.298 118.800 119.070 0.047 0.000 2.343 212 H HA 0.083 4.639 4.556 -0.000 0.000 0.303 212 H C 1.778 177.068 175.328 -0.064 0.000 1.068 212 H CA 1.732 57.762 56.048 -0.031 0.000 1.359 212 H CB -0.391 29.307 29.762 -0.107 0.000 1.402 212 H HN 0.200 nan 8.280 nan 0.000 0.515 213 A N 0.138 122.966 122.820 0.012 0.000 1.845 213 A HA -0.129 4.190 4.320 -0.000 0.000 0.215 213 A C 2.353 179.827 177.584 -0.183 0.000 1.195 213 A CA 1.553 53.476 52.037 -0.189 0.000 0.616 213 A CB -1.276 17.540 19.000 -0.306 0.000 0.832 213 A HN 0.378 nan 8.150 nan 0.000 0.443 214 F N -0.261 119.679 119.950 -0.016 0.000 2.558 214 F HA 0.088 4.615 4.527 -0.000 0.000 0.298 214 F C 1.546 177.351 175.800 0.008 0.000 1.119 214 F CA 1.129 59.128 58.000 -0.002 0.000 1.451 214 F CB 0.037 39.042 39.000 0.008 0.000 1.091 214 F HN 0.252 nan 8.300 nan 0.000 0.563 215 S N 0.290 116.096 115.700 0.177 0.000 3.884 215 S HA -0.110 4.360 4.470 -0.000 0.000 0.374 215 S C -0.334 174.325 174.600 0.098 0.000 0.971 215 S CA 0.165 58.430 58.200 0.108 0.000 1.152 215 S CB -1.824 61.415 63.200 0.064 0.000 0.877 215 S HN 0.443 nan 8.310 nan 0.000 0.491 216 V N -0.831 119.148 119.914 0.109 0.000 3.156 216 V HA 0.951 5.071 4.120 -0.000 0.000 0.311 216 V C 0.054 176.178 176.094 0.051 0.000 1.208 216 V CA -0.529 61.813 62.300 0.069 0.000 1.063 216 V CB 1.462 33.321 31.823 0.060 0.000 1.098 216 V HN 0.628 nan 8.190 nan 0.000 0.452 217 D N -0.717 119.701 120.400 0.030 0.000 2.348 217 D HA 0.325 4.965 4.640 -0.000 0.000 0.249 217 D C 0.768 177.082 176.300 0.023 0.000 1.110 217 D CA -0.604 53.410 54.000 0.023 0.000 0.967 217 D CB 1.101 41.909 40.800 0.012 0.000 1.139 217 D HN 0.558 nan 8.370 nan 0.000 0.466 218 K N -0.250 120.164 120.400 0.023 0.000 2.077 218 K HA -0.327 3.993 4.320 -0.000 0.000 0.213 218 K C 1.937 178.545 176.600 0.014 0.000 1.051 218 K CA 1.828 58.130 56.287 0.024 0.000 0.929 218 K CB -0.134 32.379 32.500 0.021 0.000 0.715 218 K HN 0.579 nan 8.250 nan 0.000 0.451 219 Q N 0.520 120.324 119.800 0.006 0.000 2.020 219 Q HA -0.140 4.199 4.340 -0.000 0.000 0.202 219 Q C 2.129 178.122 176.000 -0.011 0.000 0.982 219 Q CA 1.747 57.548 55.803 -0.002 0.000 0.838 219 Q CB -0.066 28.671 28.738 -0.003 0.000 0.899 219 Q HN 0.509 nan 8.270 nan 0.000 0.423 220 I N -2.269 118.292 120.570 -0.016 0.000 3.428 220 I HA 0.116 4.286 4.170 -0.000 0.000 0.286 220 I C 1.650 177.733 176.117 -0.057 0.000 1.287 220 I CA 0.887 62.165 61.300 -0.036 0.000 1.396 220 I CB 0.007 37.984 38.000 -0.039 0.000 1.062 220 I HN 0.066 nan 8.210 nan 0.000 0.471 221 A N 1.252 124.054 122.820 -0.029 0.000 2.067 221 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 221 A C 2.291 179.866 177.584 -0.014 0.000 1.156 221 A CA 0.940 52.963 52.037 -0.024 0.000 0.683 221 A CB -0.287 18.733 19.000 0.033 0.000 0.808 221 A HN 0.440 nan 8.150 nan 0.000 0.455 222 K N -0.474 119.920 120.400 -0.009 0.000 2.167 222 K HA -0.011 4.309 4.320 -0.000 0.000 0.203 222 K C 1.628 178.217 176.600 -0.018 0.000 1.052 222 K CA 1.089 57.374 56.287 -0.003 0.000 0.956 222 K CB -0.076 32.424 32.500 -0.000 0.000 0.735 222 K HN 0.441 nan 8.250 nan 0.000 0.451 223 N N 0.069 118.749 118.700 -0.034 0.000 2.270 223 N HA -0.094 4.646 4.740 -0.000 0.000 0.181 223 N C 1.270 176.745 175.510 -0.059 0.000 1.016 223 N CA 0.569 53.593 53.050 -0.043 0.000 0.870 223 N CB 0.106 38.563 38.487 -0.048 0.000 0.979 223 N HN 0.009 nan 8.380 nan 0.000 0.431 224 L N 0.616 121.786 121.223 -0.087 0.000 2.095 224 L HA 0.064 4.404 4.340 -0.000 0.000 0.204 224 L C 0.897 177.738 176.870 -0.048 0.000 1.080 224 L CA 1.241 56.006 54.840 -0.125 0.000 0.759 224 L CB -0.392 41.505 42.059 -0.270 0.000 0.914 224 L HN 0.199 nan 8.230 nan 0.000 0.439 225 Q N -0.243 119.549 119.800 -0.013 0.000 2.815 225 Q HA 0.198 4.538 4.340 -0.000 0.000 0.235 225 Q C 1.101 177.109 176.000 0.013 0.000 1.354 225 Q CA 0.520 56.342 55.803 0.032 0.000 0.953 225 Q CB -0.488 28.282 28.738 0.054 0.000 1.613 225 Q HN 0.544 nan 8.270 nan 0.000 0.572 226 G N 2.983 111.787 108.800 0.006 0.000 4.011 226 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.348 226 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.348 226 G C 0.167 175.057 174.900 -0.017 0.000 1.310 226 G CA 0.544 45.639 45.100 -0.008 0.000 1.056 226 G HN 0.680 nan 8.290 nan 0.000 0.728 234 G N 0.322 109.070 108.800 -0.087 0.000 3.194 234 G HA2 0.523 4.483 3.960 -0.000 0.000 0.160 234 G HA3 0.523 4.483 3.960 -0.000 0.000 0.160 234 G C 0.698 175.491 174.900 -0.179 0.000 1.267 234 G CA -0.057 44.957 45.100 -0.144 0.000 0.962 234 G HN 0.610 nan 8.290 nan 0.000 0.612 235 A N -0.887 121.784 122.820 -0.248 0.000 2.015 235 A HA 0.279 4.599 4.320 -0.000 0.000 0.219 235 A C 1.073 178.633 177.584 -0.041 0.000 1.163 235 A CA 0.691 52.576 52.037 -0.254 0.000 0.646 235 A CB -0.426 18.392 19.000 -0.303 0.000 0.806 235 A HN 0.350 nan 8.150 nan 0.000 0.448 236 I N 1.113 121.675 120.570 -0.013 0.000 2.412 236 I HA 0.250 4.420 4.170 -0.000 0.000 0.279 236 I C -0.771 175.366 176.117 0.034 0.000 1.063 236 I CA -0.509 60.819 61.300 0.048 0.000 1.193 236 I CB 1.389 39.426 38.000 0.061 0.000 1.370 236 I HN -0.152 nan 8.210 nan 0.000 0.479 237 V N 4.229 124.169 119.914 0.044 0.000 2.863 237 V HA 0.341 4.461 4.120 -0.000 0.000 0.307 237 V C 0.583 176.714 176.094 0.062 0.000 1.061 237 V CA -0.351 61.970 62.300 0.034 0.000 1.024 237 V CB 2.059 33.895 31.823 0.022 0.000 1.049 237 V HN 0.745 nan 8.190 nan 0.000 0.471 238 T N 0.780 115.364 114.554 0.049 0.000 2.743 238 T HA 0.459 4.809 4.350 -0.000 0.000 0.292 238 T C -0.428 174.315 174.700 0.071 0.000 0.972 238 T CA -0.554 61.586 62.100 0.065 0.000 0.967 238 T CB 0.943 69.837 68.868 0.044 0.000 0.926 238 T HN 0.264 nan 8.240 nan 0.000 0.459 239 V N 5.350 125.334 119.914 0.117 0.000 2.341 239 V HA 0.079 4.199 4.120 -0.000 0.000 0.248 239 V C 2.089 178.237 176.094 0.090 0.000 1.107 239 V CA -0.229 62.132 62.300 0.102 0.000 1.069 239 V CB -0.329 31.586 31.823 0.154 0.000 1.177 239 V HN 0.972 nan 8.190 nan 0.000 0.492 240 K N 3.945 124.375 120.400 0.051 0.000 2.081 240 K HA -0.295 4.025 4.320 -0.000 0.000 0.222 240 K C 1.864 178.489 176.600 0.042 0.000 1.055 240 K CA 2.533 58.842 56.287 0.038 0.000 0.954 240 K CB -0.319 32.193 32.500 0.021 0.000 0.732 240 K HN 0.746 nan 8.250 nan 0.000 0.458 241 G N -0.812 108.010 108.800 0.038 0.000 2.459 241 G HA2 0.284 4.244 3.960 -0.000 0.000 0.213 241 G HA3 0.284 4.244 3.960 -0.000 0.000 0.213 241 G C 0.358 175.296 174.900 0.063 0.000 1.155 241 G CA 0.601 45.723 45.100 0.037 0.000 0.811 241 G HN 0.757 nan 8.290 nan 0.000 0.534 242 G N -0.889 107.961 108.800 0.083 0.000 2.764 242 G HA2 0.165 4.125 3.960 -0.000 0.000 0.678 242 G HA3 0.165 4.125 3.960 -0.000 0.000 0.678 242 G C -1.003 173.913 174.900 0.027 0.000 1.341 242 G CA -0.868 44.325 45.100 0.153 0.000 0.836 242 G HN 0.512 nan 8.290 nan 0.000 0.632 243 L N 2.108 123.251 121.223 -0.134 0.000 2.597 243 L HA 0.437 4.776 4.340 -0.000 0.000 0.271 243 L C 1.877 178.616 176.870 -0.220 0.000 1.157 243 L CA 1.300 55.920 54.840 -0.366 0.000 0.928 243 L CB 1.255 42.757 42.059 -0.928 0.000 1.216 243 L HN 0.874 nan 8.230 nan 0.000 0.481 244 S N 3.174 118.801 115.700 -0.122 0.000 2.607 244 S HA 0.043 4.513 4.470 -0.000 0.000 0.224 244 S C 0.640 175.209 174.600 -0.052 0.000 0.969 244 S CA -0.361 57.804 58.200 -0.058 0.000 0.927 244 S CB -0.092 63.086 63.200 -0.037 0.000 0.772 244 S HN 0.345 nan 8.310 nan 0.000 0.533 245 V N 3.325 123.182 119.914 -0.094 0.000 2.475 245 V HA 0.045 4.165 4.120 -0.000 0.000 0.292 245 V C 0.807 176.900 176.094 -0.002 0.000 1.003 245 V CA -0.301 61.970 62.300 -0.048 0.000 1.120 245 V CB -0.831 30.929 31.823 -0.104 0.000 0.937 245 V HN 0.487 nan 8.190 nan 0.000 0.476 246 I N 5.401 125.988 120.570 0.028 0.000 3.173 246 I HA -0.125 4.045 4.170 -0.000 0.000 0.323 246 I C 0.733 176.871 176.117 0.035 0.000 1.194 246 I CA 0.951 62.271 61.300 0.032 0.000 1.464 246 I CB 0.084 38.106 38.000 0.037 0.000 1.295 246 I HN 0.663 nan 8.210 nan 0.000 0.556 247 K N 8.718 129.135 120.400 0.028 0.000 2.316 247 K HA 0.430 4.750 4.320 -0.000 0.000 0.267 247 K C -2.272 174.333 176.600 0.009 0.000 1.025 247 K CA -1.561 54.740 56.287 0.024 0.000 0.896 247 K CB 0.866 33.382 32.500 0.027 0.000 1.124 247 K HN 0.509 nan 8.250 nan 0.000 0.451 298 c N 1.785 120.186 118.600 -0.331 0.000 2.422 298 c HA -0.016 4.554 4.570 -0.000 0.000 0.279 298 c C 2.312 176.344 174.090 -0.097 0.000 1.305 298 c CA 1.740 57.938 56.329 -0.217 0.000 1.757 298 c CB -1.818 40.622 42.510 -0.116 0.000 1.962 298 c HN 0.756 nan 8.230 nan 0.000 0.499 299 T N -2.941 111.563 114.554 -0.084 0.000 3.145 299 T HA 0.256 4.606 4.350 -0.000 0.000 0.255 299 T C 0.235 174.920 174.700 -0.025 0.000 1.039 299 T CA -0.053 62.035 62.100 -0.021 0.000 0.928 299 T CB -0.192 68.669 68.868 -0.013 0.000 1.029 299 T HN 0.467 nan 8.240 nan 0.000 0.554 300 M N 2.687 122.227 119.600 -0.100 0.000 2.200 300 M HA 0.297 4.777 4.480 -0.000 0.000 0.355 300 M C 0.290 176.533 176.300 -0.095 0.000 1.283 300 M CA -0.669 54.558 55.300 -0.121 0.000 1.124 300 M CB 0.784 33.225 32.600 -0.265 0.000 1.625 300 M HN 0.082 nan 8.290 nan 0.000 0.463 301 R N 6.754 127.240 120.500 -0.024 0.000 2.343 301 R HA 0.178 4.518 4.340 -0.000 0.000 0.326 301 R C -0.608 175.733 176.300 0.069 0.000 1.055 301 R CA -0.177 55.926 56.100 0.006 0.000 0.961 301 R CB 0.128 30.485 30.300 0.095 0.000 0.978 301 R HN 0.734 nan 8.270 nan 0.000 0.443 302 L N 3.628 124.802 121.223 -0.083 0.000 2.959 302 L HA 0.497 4.837 4.340 -0.000 0.000 0.236 302 L C -0.354 176.591 176.870 0.124 0.000 1.296 302 L CA -0.252 54.640 54.840 0.086 0.000 1.047 302 L CB -0.418 41.609 42.059 -0.054 0.000 1.395 302 L HN 0.659 nan 8.230 nan 0.000 0.492 303 R N 0.965 121.532 120.500 0.112 0.000 2.725 303 R HA 0.364 4.704 4.340 -0.000 0.000 0.276 303 R C -2.066 173.976 176.300 -0.429 0.000 1.189 303 R CA -0.469 55.534 56.100 -0.161 0.000 1.083 303 R CB 1.723 32.001 30.300 -0.038 0.000 1.262 303 R HN 0.586 nan 8.270 nan 0.000 0.415 304 H N 2.283 120.813 119.070 -0.900 0.000 2.771 304 H HA 0.356 4.912 4.556 -0.000 0.000 0.361 304 H C -1.315 173.708 175.328 -0.508 0.000 1.108 304 H CA -0.561 54.969 56.048 -0.863 0.000 1.201 304 H CB 1.689 30.522 29.762 -1.548 0.000 1.681 304 H HN 0.486 nan 8.280 nan 0.000 0.534 305 N N 4.860 123.179 118.700 -0.634 0.000 2.422 305 N HA 0.129 4.869 4.740 -0.000 0.000 0.266 305 N C 0.550 175.870 175.510 -0.317 0.000 1.007 305 N CA -0.118 52.693 53.050 -0.398 0.000 0.941 305 N CB 0.790 39.078 38.487 -0.332 0.000 1.115 305 N HN 0.783 nan 8.380 nan 0.000 0.492 306 I N 0.527 120.996 120.570 -0.169 0.000 4.288 306 I HA 0.423 4.593 4.170 -0.000 0.000 0.331 306 I C 1.146 177.085 176.117 -0.296 0.000 1.322 306 I CA -0.518 60.720 61.300 -0.103 0.000 1.149 306 I CB 0.255 38.280 38.000 0.041 0.000 1.112 306 I HN 0.264 nan 8.210 nan 0.000 0.403 307 G N 1.359 109.891 108.800 -0.447 0.000 2.466 307 G HA2 0.007 3.967 3.960 -0.000 0.000 0.279 307 G HA3 0.007 3.967 3.960 -0.000 0.000 0.279 307 G C 0.405 174.837 174.900 -0.779 0.000 1.410 307 G CA 0.038 44.580 45.100 -0.930 0.000 1.065 307 G HN 0.409 nan 8.290 nan 0.000 0.547 308 Q N -1.041 118.380 119.800 -0.632 0.000 2.508 308 Q HA 0.024 4.364 4.340 -0.000 0.000 0.214 308 Q C 0.881 176.784 176.000 -0.162 0.000 0.979 308 Q CA 0.995 56.654 55.803 -0.240 0.000 0.911 308 Q CB 0.061 28.746 28.738 -0.089 0.000 0.969 308 Q HN 0.267 nan 8.270 nan 0.000 0.504 309 T N 0.061 114.497 114.554 -0.198 0.000 3.355 309 T HA 0.483 4.833 4.350 -0.000 0.000 0.376 309 T C -0.586 174.019 174.700 -0.159 0.000 1.683 309 T CA -0.322 61.688 62.100 -0.151 0.000 1.269 309 T CB 0.429 69.213 68.868 -0.139 0.000 1.158 309 T HN 0.062 nan 8.240 nan 0.000 0.703 310 S N 1.040 116.656 115.700 -0.140 0.000 2.873 310 S HA 0.661 5.131 4.470 -0.000 0.000 0.303 310 S C -1.210 173.324 174.600 -0.110 0.000 1.222 310 S CA -0.724 57.398 58.200 -0.131 0.000 0.923 310 S CB 1.051 64.169 63.200 -0.137 0.000 1.286 310 S HN 0.419 nan 8.310 nan 0.000 0.571 311 S N 2.932 118.578 115.700 -0.089 0.000 2.622 311 S HA 0.540 5.010 4.470 -0.000 0.000 0.283 311 S C -2.751 171.818 174.600 -0.051 0.000 1.197 311 S CA -1.032 57.121 58.200 -0.079 0.000 1.146 311 S CB 0.762 63.929 63.200 -0.055 0.000 1.007 311 S HN 0.611 nan 8.310 nan 0.000 0.478 312 P HA 0.240 nan 4.420 nan 0.000 0.269 312 P C -0.267 177.049 177.300 0.027 0.000 1.215 312 P CA -0.113 62.986 63.100 -0.002 0.000 0.780 312 P CB 0.818 32.524 31.700 0.011 0.000 0.898 313 D N 0.658 121.074 120.400 0.026 0.000 2.097 313 D HA -0.009 4.631 4.640 -0.000 0.000 0.197 313 D C 0.486 176.815 176.300 0.049 0.000 0.984 313 D CA 1.336 55.347 54.000 0.018 0.000 0.826 313 D CB -0.128 40.658 40.800 -0.024 0.000 0.973 313 D HN 0.364 nan 8.370 nan 0.000 0.460 314 I N -0.378 120.234 120.570 0.070 0.000 2.433 314 I HA 0.335 4.505 4.170 -0.000 0.000 0.292 314 I C -1.312 174.934 176.117 0.215 0.000 1.001 314 I CA -1.074 60.299 61.300 0.121 0.000 1.119 314 I CB 1.751 39.817 38.000 0.110 0.000 1.289 314 I HN -0.104 nan 8.210 nan 0.000 0.438 315 Y N 6.580 126.909 120.300 0.048 0.000 2.441 315 Y HA 0.503 5.053 4.550 -0.000 0.000 0.334 315 Y C -1.482 174.435 175.900 0.028 0.000 1.061 315 Y CA -1.344 56.778 58.100 0.037 0.000 1.032 315 Y CB 1.696 40.175 38.460 0.031 0.000 1.266 315 Y HN 0.557 nan 8.280 nan 0.000 0.441 316 N N 7.988 126.364 118.700 -0.539 0.000 2.549 316 N HA 0.299 5.039 4.740 -0.000 0.000 0.290 316 N C -2.606 172.480 175.510 -0.707 0.000 1.122 316 N CA -1.795 50.910 53.050 -0.575 0.000 0.885 316 N CB 2.922 41.199 38.487 -0.350 0.000 1.455 316 N HN 0.420 nan 8.380 nan 0.000 0.521 317 P HA -0.087 nan 4.420 nan 0.000 0.231 317 P C 0.520 177.702 177.300 -0.198 0.000 1.158 317 P CA 1.118 63.964 63.100 -0.423 0.000 0.763 317 P CB 0.682 32.216 31.700 -0.276 0.000 0.805 318 Q N -1.650 118.012 119.800 -0.230 0.000 2.350 318 Q HA 0.263 4.603 4.340 -0.000 0.000 0.225 318 Q C 1.779 177.684 176.000 -0.159 0.000 0.878 318 Q CA 0.406 56.110 55.803 -0.165 0.000 0.935 318 Q CB 0.402 29.032 28.738 -0.180 0.000 1.099 318 Q HN 0.193 nan 8.270 nan 0.000 0.527 319 A N -0.582 122.125 122.820 -0.189 0.000 2.026 319 A HA 0.595 4.915 4.320 -0.000 0.000 0.198 319 A C 0.878 178.439 177.584 -0.038 0.000 1.390 319 A CA 0.905 52.864 52.037 -0.129 0.000 0.915 319 A CB 0.691 19.582 19.000 -0.181 0.000 0.974 319 A HN 0.362 nan 8.150 nan 0.000 0.477 320 G N -1.074 107.716 108.800 -0.016 0.000 2.292 320 G HA2 0.473 4.432 3.960 -0.000 0.000 0.194 320 G HA3 0.473 4.432 3.960 -0.000 0.000 0.194 320 G C -0.465 174.539 174.900 0.173 0.000 1.329 320 G CA 0.441 45.593 45.100 0.087 0.000 1.100 320 G HN 1.778 nan 8.290 nan 0.000 0.470 321 S N -1.903 113.906 115.700 0.182 0.000 2.567 321 S HA 0.752 5.222 4.470 -0.000 0.000 0.270 321 S C -1.448 173.225 174.600 0.122 0.000 1.152 321 S CA -0.112 58.218 58.200 0.217 0.000 0.835 321 S CB 1.807 65.173 63.200 0.277 0.000 1.115 321 S HN 1.805 nan 8.310 nan 0.000 0.459 322 V N 1.204 121.183 119.914 0.108 0.000 2.709 322 V HA 0.780 4.900 4.120 -0.000 0.000 0.308 322 V C -0.718 175.381 176.094 0.009 0.000 1.062 322 V CA -0.490 61.823 62.300 0.021 0.000 0.901 322 V CB 2.109 33.925 31.823 -0.011 0.000 1.003 322 V HN 1.075 nan 8.190 nan 0.000 0.425 323 T N 2.425 116.988 114.554 0.014 0.000 2.881 323 T HA 0.586 4.936 4.350 -0.000 0.000 0.291 323 T C -0.271 174.429 174.700 -0.001 0.000 0.990 323 T CA -0.575 61.542 62.100 0.029 0.000 0.976 323 T CB 1.532 70.450 68.868 0.083 0.000 0.970 323 T HN 0.799 nan 8.240 nan 0.000 0.438 324 T N 0.914 115.452 114.554 -0.026 0.000 2.855 324 T HA 0.763 5.113 4.350 -0.000 0.000 0.281 324 T C -0.258 174.436 174.700 -0.011 0.000 1.007 324 T CA -1.018 61.057 62.100 -0.042 0.000 1.009 324 T CB 1.780 70.594 68.868 -0.091 0.000 0.983 324 T HN 0.671 nan 8.240 nan 0.000 0.455 325 A N 2.852 125.663 122.820 -0.015 0.000 2.399 325 A HA 0.674 4.994 4.320 -0.000 0.000 0.327 325 A C 0.636 178.203 177.584 -0.029 0.000 1.367 325 A CA -0.793 51.217 52.037 -0.046 0.000 0.842 325 A CB -0.058 18.924 19.000 -0.029 0.000 1.142 325 A HN 0.975 nan 8.150 nan 0.000 0.495 326 T N -1.170 113.357 114.554 -0.044 0.000 2.893 326 T HA 0.443 4.793 4.350 -0.000 0.000 0.279 326 T C 1.339 176.018 174.700 -0.035 0.000 0.991 326 T CA 0.198 62.279 62.100 -0.032 0.000 0.950 326 T CB 0.938 69.785 68.868 -0.035 0.000 1.223 326 T HN 0.968 nan 8.240 nan 0.000 0.585 327 S N -0.291 115.384 115.700 -0.041 0.000 2.603 327 S HA 0.008 4.478 4.470 -0.000 0.000 0.229 327 S C 1.777 176.359 174.600 -0.029 0.000 0.972 327 S CA -0.237 57.930 58.200 -0.054 0.000 0.935 327 S CB -0.599 62.570 63.200 -0.052 0.000 0.769 327 S HN 0.526 nan 8.310 nan 0.000 0.536 328 L N 2.331 123.542 121.223 -0.021 0.000 2.109 328 L HA -0.021 4.319 4.340 -0.000 0.000 0.207 328 L C 0.967 177.842 176.870 0.009 0.000 1.086 328 L CA 2.091 56.927 54.840 -0.007 0.000 0.760 328 L CB -0.996 41.057 42.059 -0.009 0.000 0.910 328 L HN 0.448 nan 8.230 nan 0.000 0.437 329 D N -2.799 117.600 120.400 -0.000 0.000 2.407 329 D HA -0.018 4.622 4.640 -0.000 0.000 0.208 329 D C 0.065 176.390 176.300 0.042 0.000 1.083 329 D CA -0.018 53.996 54.000 0.024 0.000 0.844 329 D CB 0.257 41.070 40.800 0.021 0.000 0.967 329 D HN 0.047 nan 8.370 nan 0.000 0.506 330 F N 1.823 121.645 119.950 -0.214 0.000 2.959 330 F HA 0.332 4.859 4.527 -0.000 0.000 0.379 330 F C -2.370 173.377 175.800 -0.088 0.000 1.215 330 F CA -2.972 54.907 58.000 -0.202 0.000 1.190 330 F CB 1.528 40.258 39.000 -0.451 0.000 1.574 330 F HN -0.250 nan 8.300 nan 0.000 0.575 331 P HA -0.085 nan 4.420 nan 0.000 0.225 331 P C 1.002 178.219 177.300 -0.138 0.000 1.148 331 P CA 1.195 64.258 63.100 -0.062 0.000 0.779 331 P CB 0.191 31.901 31.700 0.016 0.000 0.780 332 A N -0.861 121.730 122.820 -0.381 0.000 2.235 332 A HA 0.022 4.342 4.320 -0.000 0.000 0.208 332 A C 1.877 179.232 177.584 -0.383 0.000 1.172 332 A CA 0.408 52.212 52.037 -0.388 0.000 0.786 332 A CB -1.087 17.593 19.000 -0.533 0.000 0.804 332 A HN 0.079 nan 8.150 nan 0.000 0.479 333 L N 0.037 120.980 121.223 -0.468 0.000 2.341 333 L HA -0.019 4.321 4.340 -0.000 0.000 0.214 333 L C 2.618 179.436 176.870 -0.088 0.000 1.115 333 L CA 1.982 56.640 54.840 -0.303 0.000 0.820 333 L CB -0.399 41.472 42.059 -0.314 0.000 0.944 333 L HN 0.511 nan 8.230 nan 0.000 0.452 334 S N -2.812 112.868 115.700 -0.034 0.000 2.481 334 S HA -0.180 4.290 4.470 -0.000 0.000 0.231 334 S C 1.634 176.234 174.600 0.001 0.000 0.996 334 S CA 0.290 58.480 58.200 -0.017 0.000 0.942 334 S CB -0.734 62.450 63.200 -0.026 0.000 0.768 334 S HN 0.477 nan 8.310 nan 0.000 0.520 335 W N 1.379 122.608 121.300 -0.119 0.000 2.658 335 W HA 0.426 5.086 4.660 -0.000 0.000 0.263 335 W C 1.763 178.240 176.519 -0.071 0.000 1.274 335 W CA 0.003 57.298 57.345 -0.082 0.000 1.343 335 W CB -0.090 29.320 29.460 -0.083 0.000 1.106 335 W HN 0.282 nan 8.180 nan 0.000 0.615 336 L N -0.855 120.433 121.223 0.109 0.000 2.470 336 L HA 0.242 4.582 4.340 -0.000 0.000 0.219 336 L C 1.114 177.992 176.870 0.013 0.000 1.071 336 L CA -0.098 54.772 54.840 0.050 0.000 0.850 336 L CB -0.168 41.898 42.059 0.011 0.000 1.040 336 L HN -0.296 nan 8.230 nan 0.000 0.475 337 R N 0.784 121.282 120.500 -0.004 0.000 3.531 337 R HA -0.133 4.207 4.340 -0.000 0.000 0.280 337 R C -1.231 175.066 176.300 -0.004 0.000 1.130 337 R CA 0.535 56.627 56.100 -0.014 0.000 0.757 337 R CB -1.907 28.382 30.300 -0.019 0.000 1.218 337 R HN 0.289 nan 8.270 nan 0.000 0.454 338 L N -1.128 120.095 121.223 0.001 0.000 2.376 338 L HA 0.767 5.107 4.340 -0.000 0.000 0.258 338 L C 0.143 177.033 176.870 0.034 0.000 1.013 338 L CA -0.744 54.112 54.840 0.026 0.000 0.822 338 L CB 2.370 44.452 42.059 0.039 0.000 1.388 338 L HN 0.151 nan 8.230 nan 0.000 0.413 339 S N 0.254 115.994 115.700 0.067 0.000 2.705 339 S HA 0.972 5.442 4.470 -0.000 0.000 0.280 339 S C -1.803 172.850 174.600 0.089 0.000 1.174 339 S CA 0.060 58.297 58.200 0.061 0.000 0.823 339 S CB 2.154 65.366 63.200 0.020 0.000 1.162 339 S HN 0.887 nan 8.310 nan 0.000 0.487 340 A N 0.858 123.693 122.820 0.025 0.000 2.612 340 A HA 0.788 5.108 4.320 -0.000 0.000 0.293 340 A C -1.425 176.098 177.584 -0.101 0.000 1.075 340 A CA -0.497 51.492 52.037 -0.081 0.000 0.680 340 A CB 1.625 20.558 19.000 -0.111 0.000 1.279 340 A HN 0.788 nan 8.150 nan 0.000 0.411 341 E N 0.292 120.389 120.200 -0.170 0.000 2.331 341 E HA 0.607 4.957 4.350 -0.000 0.000 0.275 341 E C -2.132 174.353 176.600 -0.192 0.000 0.895 341 E CA -0.483 55.842 56.400 -0.126 0.000 0.753 341 E CB 1.731 31.378 29.700 -0.088 0.000 1.216 341 E HN 0.654 nan 8.360 nan 0.000 0.434 342 F N 2.685 122.431 119.950 -0.339 0.000 2.482 342 F HA 0.748 5.275 4.527 -0.000 0.000 0.331 342 F C -0.465 175.000 175.800 -0.558 0.000 1.115 342 F CA -0.283 57.427 58.000 -0.484 0.000 0.955 342 F CB 1.832 40.652 39.000 -0.301 0.000 1.136 342 F HN 0.448 nan 8.300 nan 0.000 0.452 343 G N 2.286 110.009 108.800 -1.796 0.000 2.524 343 G HA2 0.510 4.470 3.960 -0.000 0.000 0.310 343 G HA3 0.510 4.470 3.960 -0.000 0.000 0.310 343 G C -1.799 172.391 174.900 -1.183 0.000 1.279 343 G CA -0.917 43.412 45.100 -1.286 0.000 0.974 343 G HN 0.707 nan 8.290 nan 0.000 0.484 344 S N 1.017 116.423 115.700 -0.490 0.000 2.775 344 S HA 0.543 5.013 4.470 -0.000 0.000 0.277 344 S C -0.753 173.844 174.600 -0.004 0.000 1.156 344 S CA -0.562 57.481 58.200 -0.261 0.000 1.081 344 S CB 0.119 63.240 63.200 -0.132 0.000 1.054 344 S HN 0.477 nan 8.310 nan 0.000 0.482 345 L N 4.913 126.188 121.223 0.087 0.000 2.307 345 L HA 0.629 4.969 4.340 -0.000 0.000 0.284 345 L C 0.689 177.628 176.870 0.114 0.000 1.023 345 L CA -0.984 53.944 54.840 0.146 0.000 0.810 345 L CB 1.096 43.299 42.059 0.239 0.000 1.231 345 L HN 0.441 nan 8.230 nan 0.000 0.423 346 R N 1.926 122.465 120.500 0.066 0.000 2.694 346 R HA 0.110 4.450 4.340 -0.000 0.000 0.268 346 R C -0.021 176.298 176.300 0.032 0.000 1.061 346 R CA -0.482 55.644 56.100 0.044 0.000 1.133 346 R CB 0.395 30.704 30.300 0.014 0.000 1.020 346 R HN 0.479 nan 8.270 nan 0.000 0.475 347 K N 1.806 122.221 120.400 0.025 0.000 2.491 347 K HA -0.163 4.157 4.320 -0.000 0.000 0.279 347 K C -0.066 176.523 176.600 -0.018 0.000 1.026 347 K CA 0.865 57.155 56.287 0.006 0.000 1.070 347 K CB -0.047 32.456 32.500 0.006 0.000 0.887 347 K HN 0.637 nan 8.250 nan 0.000 0.481 348 N N 0.330 119.008 118.700 -0.037 0.000 2.900 348 N HA -0.269 4.470 4.740 -0.000 0.000 0.240 348 N C -0.804 174.668 175.510 -0.064 0.000 0.953 348 N CA 0.507 53.523 53.050 -0.057 0.000 0.950 348 N CB -0.754 37.705 38.487 -0.047 0.000 1.102 348 N HN 0.648 nan 8.380 nan 0.000 0.593 349 A N 0.688 123.476 122.820 -0.055 0.000 2.304 349 A HA 0.685 5.005 4.320 -0.000 0.000 0.271 349 A C 0.323 177.855 177.584 -0.088 0.000 1.091 349 A CA -0.134 51.864 52.037 -0.065 0.000 0.812 349 A CB 0.578 19.549 19.000 -0.048 0.000 1.056 349 A HN 0.328 nan 8.150 nan 0.000 0.489 350 M N 0.997 120.536 119.600 -0.103 0.000 2.593 350 M HA 0.799 5.279 4.480 -0.000 0.000 0.290 350 M C -1.744 174.468 176.300 -0.146 0.000 1.244 350 M CA -0.759 54.442 55.300 -0.164 0.000 0.857 350 M CB 1.968 34.473 32.600 -0.158 0.000 1.738 350 M HN 0.651 nan 8.290 nan 0.000 0.461 351 F N 1.641 121.464 119.950 -0.212 0.000 2.427 351 F HA 0.662 5.189 4.527 -0.000 0.000 0.346 351 F C -0.042 175.546 175.800 -0.353 0.000 1.120 351 F CA -1.431 56.268 58.000 -0.502 0.000 1.033 351 F CB -0.087 38.438 39.000 -0.792 0.000 1.126 351 F HN 0.534 nan 8.300 nan 0.000 0.462 352 V N 0.798 120.635 119.914 -0.127 0.000 3.209 352 V HA 0.191 4.311 4.120 -0.000 0.000 0.305 352 V C -2.130 174.089 176.094 0.208 0.000 1.127 352 V CA -1.527 60.785 62.300 0.020 0.000 1.235 352 V CB -0.335 31.491 31.823 0.006 0.000 0.987 352 V HN 0.785 nan 8.190 nan 0.000 0.499 353 P HA 0.115 nan 4.420 nan 0.000 0.261 353 P C -0.646 176.839 177.300 0.307 0.000 1.183 353 P CA 0.849 64.078 63.100 0.215 0.000 0.761 353 P CB -0.064 31.713 31.700 0.129 0.000 0.785 354 H N 2.064 121.246 119.070 0.186 0.000 3.037 354 H HA 0.459 5.015 4.556 -0.000 0.000 0.355 354 H C -1.372 174.096 175.328 0.233 0.000 1.263 354 H CA -0.969 55.193 56.048 0.191 0.000 1.129 354 H CB 0.865 30.726 29.762 0.165 0.000 1.861 354 H HN 0.479 nan 8.280 nan 0.000 0.546 355 Y N 0.030 120.383 120.300 0.088 0.000 2.570 355 Y HA 0.511 5.060 4.550 -0.000 0.000 0.345 355 Y C -0.971 174.979 175.900 0.083 0.000 1.014 355 Y CA -1.223 56.893 58.100 0.027 0.000 1.063 355 Y CB 1.458 39.955 38.460 0.061 0.000 1.272 355 Y HN 0.505 nan 8.280 nan 0.000 0.477 356 N N 2.882 121.646 118.700 0.106 0.000 2.426 356 N HA 0.166 4.906 4.740 -0.000 0.000 0.257 356 N C 0.154 175.721 175.510 0.095 0.000 1.002 356 N CA -0.263 52.798 53.050 0.019 0.000 0.942 356 N CB 1.979 40.485 38.487 0.032 0.000 1.112 356 N HN 0.726 nan 8.380 nan 0.000 0.499 357 L N 2.579 123.808 121.223 0.010 0.000 2.079 357 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 357 L C 1.254 178.187 176.870 0.105 0.000 1.081 357 L CA 1.555 56.477 54.840 0.136 0.000 0.752 357 L CB -0.354 41.744 42.059 0.064 0.000 0.896 357 L HN 0.642 nan 8.230 nan 0.000 0.433 358 N N -1.671 117.058 118.700 0.048 0.000 2.517 358 N HA 0.523 5.263 4.740 -0.000 0.000 0.285 358 N C -0.530 174.989 175.510 0.016 0.000 1.528 358 N CA 0.363 53.432 53.050 0.031 0.000 0.892 358 N CB 0.686 39.184 38.487 0.017 0.000 1.356 358 N HN 0.076 nan 8.380 nan 0.000 0.495 359 A N -0.167 122.663 122.820 0.016 0.000 2.608 359 A HA 0.606 4.926 4.320 -0.000 0.000 0.292 359 A C -1.651 175.927 177.584 -0.010 0.000 1.066 359 A CA -0.839 51.199 52.037 0.002 0.000 0.676 359 A CB 0.949 19.950 19.000 0.002 0.000 1.277 359 A HN 0.132 nan 8.150 nan 0.000 0.413 360 N N 0.601 119.287 118.700 -0.023 0.000 2.473 360 N HA 0.676 5.415 4.740 -0.000 0.000 0.291 360 N C -0.598 174.896 175.510 -0.028 0.000 1.083 360 N CA -0.066 52.952 53.050 -0.053 0.000 0.951 360 N CB 1.692 40.137 38.487 -0.070 0.000 1.164 360 N HN 0.558 nan 8.380 nan 0.000 0.480 361 S N 1.084 116.758 115.700 -0.042 0.000 2.537 361 S HA 0.622 5.092 4.470 -0.000 0.000 0.301 361 S C -0.181 174.411 174.600 -0.014 0.000 1.092 361 S CA -0.561 57.636 58.200 -0.005 0.000 1.048 361 S CB 1.123 64.317 63.200 -0.009 0.000 1.053 361 S HN 0.329 nan 8.310 nan 0.000 0.501 362 I N 2.377 122.985 120.570 0.064 0.000 2.495 362 I HA 0.342 4.512 4.170 -0.000 0.000 0.277 362 I C -0.932 175.267 176.117 0.137 0.000 1.045 362 I CA -0.042 61.296 61.300 0.063 0.000 1.135 362 I CB 0.752 38.825 38.000 0.122 0.000 1.241 362 I HN 0.532 nan 8.210 nan 0.000 0.469 363 I N 6.003 126.608 120.570 0.058 0.000 2.347 363 I HA 0.095 4.265 4.170 -0.000 0.000 0.294 363 I C -0.541 175.658 176.117 0.137 0.000 1.090 363 I CA -0.357 60.998 61.300 0.093 0.000 1.314 363 I CB 0.033 38.047 38.000 0.023 0.000 1.423 363 I HN 0.428 nan 8.210 nan 0.000 0.503 364 Y N 7.180 127.527 120.300 0.078 0.000 2.341 364 Y HA 0.647 5.197 4.550 -0.000 0.000 0.340 364 Y C 0.151 176.124 175.900 0.121 0.000 0.997 364 Y CA -1.004 57.152 58.100 0.094 0.000 1.149 364 Y CB 1.012 39.543 38.460 0.118 0.000 1.171 364 Y HN 0.613 nan 8.280 nan 0.000 0.494 365 A N 7.517 130.071 122.820 -0.444 0.000 2.320 365 A HA 0.357 4.676 4.320 -0.000 0.000 0.287 365 A C 0.169 177.554 177.584 -0.331 0.000 1.181 365 A CA -0.471 51.441 52.037 -0.208 0.000 0.831 365 A CB 0.164 19.212 19.000 0.080 0.000 1.102 365 A HN 1.094 nan 8.150 nan 0.000 0.513 366 L N 1.696 122.858 121.223 -0.101 0.000 2.062 366 L HA 0.101 4.441 4.340 -0.000 0.000 0.202 366 L C 1.024 177.934 176.870 0.066 0.000 1.079 366 L CA 0.854 55.743 54.840 0.082 0.000 0.755 366 L CB -0.153 42.003 42.059 0.162 0.000 0.913 366 L HN 0.836 nan 8.230 nan 0.000 0.445 367 N N -1.363 117.346 118.700 0.015 0.000 2.229 367 N HA 0.504 5.244 4.740 -0.000 0.000 0.298 367 N C -0.231 175.363 175.510 0.139 0.000 1.114 367 N CA 0.494 53.589 53.050 0.075 0.000 0.776 367 N CB 1.875 40.408 38.487 0.077 0.000 1.501 367 N HN 0.326 nan 8.380 nan 0.000 0.474 368 G N 1.444 110.346 108.800 0.169 0.000 2.642 368 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.231 368 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.231 368 G C -0.884 174.186 174.900 0.284 0.000 1.338 368 G CA -0.058 45.177 45.100 0.225 0.000 0.883 368 G HN 0.819 nan 8.290 nan 0.000 0.570 369 R N -0.668 119.961 120.500 0.216 0.000 2.774 369 R HA 0.744 5.084 4.340 -0.000 0.000 0.272 369 R C -0.434 175.645 176.300 -0.370 0.000 1.000 369 R CA -0.006 56.094 56.100 0.001 0.000 0.906 369 R CB 1.627 31.922 30.300 -0.009 0.000 1.227 369 R HN 2.073 nan 8.270 nan 0.000 0.468 370 A N 2.817 125.273 122.820 -0.607 0.000 2.572 370 A HA 0.503 4.823 4.320 -0.000 0.000 0.295 370 A C -1.868 175.468 177.584 -0.413 0.000 1.072 370 A CA -0.714 50.860 52.037 -0.772 0.000 0.691 370 A CB 1.747 19.784 19.000 -1.605 0.000 1.291 370 A HN 0.640 nan 8.150 nan 0.000 0.404 371 L N 2.714 123.736 121.223 -0.335 0.000 2.272 371 L HA 0.558 4.898 4.340 -0.000 0.000 0.284 371 L C -1.040 175.709 176.870 -0.201 0.000 1.045 371 L CA -0.361 54.350 54.840 -0.214 0.000 0.842 371 L CB 0.057 42.005 42.059 -0.184 0.000 1.224 371 L HN 0.609 nan 8.230 nan 0.000 0.430 372 I N 4.016 124.540 120.570 -0.076 0.000 2.498 372 I HA 0.383 4.553 4.170 -0.000 0.000 0.301 372 I C -0.391 175.797 176.117 0.119 0.000 0.984 372 I CA -0.663 60.648 61.300 0.018 0.000 1.204 372 I CB 1.884 39.960 38.000 0.127 0.000 1.362 372 I HN 0.569 nan 8.210 nan 0.000 0.471 373 Q N 3.877 123.739 119.800 0.103 0.000 2.274 373 Q HA 0.522 4.862 4.340 -0.000 0.000 0.268 373 Q C -1.605 174.476 176.000 0.134 0.000 1.015 373 Q CA -0.409 55.455 55.803 0.102 0.000 0.775 373 Q CB 3.282 32.028 28.738 0.013 0.000 1.256 373 Q HN 0.522 nan 8.270 nan 0.000 0.442 374 V N 3.307 123.328 119.914 0.179 0.000 2.588 374 V HA 0.808 4.928 4.120 -0.000 0.000 0.304 374 V C -1.627 174.533 176.094 0.110 0.000 1.042 374 V CA -0.484 61.908 62.300 0.154 0.000 0.877 374 V CB 1.915 33.849 31.823 0.186 0.000 0.996 374 V HN 0.523 nan 8.190 nan 0.000 0.425 375 V N 7.072 127.012 119.914 0.045 0.000 2.680 375 V HA 0.704 4.824 4.120 -0.000 0.000 0.309 375 V C -0.238 175.709 176.094 -0.245 0.000 1.052 375 V CA -0.242 62.020 62.300 -0.064 0.000 0.908 375 V CB 2.071 33.868 31.823 -0.044 0.000 1.001 375 V HN 1.235 nan 8.190 nan 0.000 0.431 376 N N 4.295 122.727 118.700 -0.447 0.000 2.514 376 N HA 0.207 4.947 4.740 -0.000 0.000 0.299 376 N C 1.338 176.568 175.510 -0.468 0.000 1.292 376 N CA 0.266 52.815 53.050 -0.835 0.000 0.963 376 N CB -0.125 37.773 38.487 -0.981 0.000 1.124 376 N HN 0.848 nan 8.380 nan 0.000 0.580 377 C N -2.173 116.874 119.300 -0.422 0.000 2.410 377 C HA 0.024 4.484 4.460 -0.000 0.000 0.281 377 C C 1.098 175.994 174.990 -0.155 0.000 1.318 377 C CA 0.378 59.266 59.018 -0.216 0.000 1.776 377 C CB -1.894 25.763 27.740 -0.138 0.000 1.942 377 C HN 0.729 nan 8.230 nan 0.000 0.508 378 N N 0.824 119.428 118.700 -0.159 0.000 2.276 378 N HA 0.379 5.119 4.740 -0.000 0.000 0.212 378 N C 1.374 176.829 175.510 -0.092 0.000 1.127 378 N CA 0.519 53.507 53.050 -0.104 0.000 0.834 378 N CB 0.202 38.638 38.487 -0.084 0.000 1.014 378 N HN 0.735 nan 8.380 nan 0.000 0.491 379 G N 1.008 109.743 108.800 -0.108 0.000 2.189 379 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.267 379 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.267 379 G C -0.094 174.762 174.900 -0.073 0.000 0.975 379 G CA 0.037 45.090 45.100 -0.078 0.000 0.644 379 G HN 0.433 nan 8.290 nan 0.000 0.537 380 E N 0.050 120.197 120.200 -0.087 0.000 2.384 380 E HA 0.342 4.692 4.350 -0.000 0.000 0.266 380 E C 0.735 177.301 176.600 -0.057 0.000 1.012 380 E CA -0.351 56.010 56.400 -0.065 0.000 0.901 380 E CB 0.497 30.159 29.700 -0.063 0.000 0.967 380 E HN 0.342 nan 8.360 nan 0.000 0.435 381 R N 3.399 123.881 120.500 -0.031 0.000 2.419 381 R HA 0.038 4.378 4.340 -0.000 0.000 0.305 381 R C 0.713 177.026 176.300 0.022 0.000 1.242 381 R CA -0.199 55.895 56.100 -0.010 0.000 1.105 381 R CB -0.026 30.263 30.300 -0.019 0.000 1.116 381 R HN 0.525 nan 8.270 nan 0.000 0.523 382 V N 1.927 121.874 119.914 0.056 0.000 3.241 382 V HA 0.100 4.220 4.120 -0.000 0.000 0.269 382 V C 0.233 176.461 176.094 0.223 0.000 1.151 382 V CA 0.734 63.105 62.300 0.120 0.000 1.158 382 V CB -1.018 30.898 31.823 0.155 0.000 0.764 382 V HN 0.516 nan 8.190 nan 0.000 0.508 383 F N 0.522 120.482 119.950 0.016 0.000 2.622 383 F HA 0.616 5.143 4.527 -0.000 0.000 0.318 383 F C -1.607 174.186 175.800 -0.011 0.000 1.135 383 F CA -1.161 56.843 58.000 0.007 0.000 1.015 383 F CB 1.939 40.947 39.000 0.015 0.000 1.275 383 F HN -0.006 nan 8.300 nan 0.000 0.457 384 D N 4.028 124.058 120.400 -0.616 0.000 2.586 384 D HA 0.574 5.214 4.640 -0.000 0.000 0.254 384 D C -0.413 175.486 176.300 -0.667 0.000 1.248 384 D CA 0.337 54.061 54.000 -0.460 0.000 0.843 384 D CB 0.677 41.336 40.800 -0.235 0.000 1.332 384 D HN 0.914 nan 8.370 nan 0.000 0.523 385 G N 1.043 109.287 108.800 -0.926 0.000 2.664 385 G HA2 0.475 4.435 3.960 -0.000 0.000 0.303 385 G HA3 0.475 4.435 3.960 -0.000 0.000 0.303 385 G C -1.231 173.511 174.900 -0.264 0.000 1.243 385 G CA -0.732 43.989 45.100 -0.632 0.000 0.826 385 G HN 0.143 nan 8.290 nan 0.000 0.498 386 E N -0.615 119.532 120.200 -0.089 0.000 2.183 386 E HA 0.552 4.901 4.350 -0.000 0.000 0.271 386 E C -1.438 175.249 176.600 0.144 0.000 0.919 386 E CA -0.655 55.748 56.400 0.005 0.000 0.781 386 E CB 2.843 32.519 29.700 -0.040 0.000 1.140 386 E HN 0.269 nan 8.360 nan 0.000 0.402 387 L N 3.222 124.486 121.223 0.067 0.000 2.319 387 L HA 0.256 4.596 4.340 -0.000 0.000 0.281 387 L C -0.933 175.971 176.870 0.055 0.000 1.005 387 L CA -0.108 54.784 54.840 0.087 0.000 0.828 387 L CB 1.076 43.169 42.059 0.058 0.000 1.227 387 L HN 0.549 nan 8.230 nan 0.000 0.415 388 Q N 2.160 122.015 119.800 0.091 0.000 2.378 388 Q HA 0.569 4.909 4.340 -0.000 0.000 0.276 388 Q C -0.880 175.182 176.000 0.103 0.000 1.083 388 Q CA -0.977 54.890 55.803 0.106 0.000 0.856 388 Q CB 1.032 29.815 28.738 0.076 0.000 1.383 388 Q HN 0.535 nan 8.270 nan 0.000 0.458 389 E N 0.260 120.523 120.200 0.105 0.000 2.975 389 E HA 0.001 4.351 4.350 -0.000 0.000 0.269 389 E C 0.567 177.191 176.600 0.040 0.000 0.905 389 E CA 1.359 57.794 56.400 0.058 0.000 0.967 389 E CB -0.239 29.515 29.700 0.089 0.000 0.925 389 E HN 0.915 nan 8.360 nan 0.000 0.507 390 G N 2.525 111.293 108.800 -0.052 0.000 2.155 390 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.257 390 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.257 390 G C 0.252 175.280 174.900 0.214 0.000 0.983 390 G CA 0.662 45.828 45.100 0.109 0.000 0.676 390 G HN 0.473 nan 8.290 nan 0.000 0.528 391 R N -1.287 119.253 120.500 0.068 0.000 2.828 391 R HA 0.791 5.130 4.340 -0.000 0.000 0.264 391 R C -0.714 175.668 176.300 0.137 0.000 1.022 391 R CA -0.471 55.759 56.100 0.216 0.000 1.021 391 R CB 2.247 32.638 30.300 0.153 0.000 1.163 391 R HN 0.330 nan 8.270 nan 0.000 0.494 392 V N 3.430 123.479 119.914 0.224 0.000 2.789 392 V HA 0.588 4.708 4.120 -0.000 0.000 0.311 392 V C -1.685 174.388 176.094 -0.034 0.000 1.073 392 V CA -0.862 61.490 62.300 0.086 0.000 0.921 392 V CB 1.926 33.777 31.823 0.047 0.000 1.009 392 V HN 0.605 nan 8.190 nan 0.000 0.426 393 L N 7.020 128.167 121.223 -0.126 0.000 2.356 393 L HA 0.680 5.020 4.340 -0.000 0.000 0.277 393 L C -0.903 175.818 176.870 -0.247 0.000 0.996 393 L CA 0.027 54.701 54.840 -0.275 0.000 0.822 393 L CB 1.632 43.466 42.059 -0.374 0.000 1.256 393 L HN 0.619 nan 8.230 nan 0.000 0.413 394 I N 5.750 126.139 120.570 -0.301 0.000 2.336 394 I HA 0.374 4.544 4.170 -0.000 0.000 0.292 394 I C -0.776 175.195 176.117 -0.243 0.000 0.991 394 I CA -0.819 60.307 61.300 -0.289 0.000 1.227 394 I CB 1.744 39.498 38.000 -0.409 0.000 1.366 394 I HN 0.289 nan 8.210 nan 0.000 0.466 395 V N 8.642 128.437 119.914 -0.200 0.000 2.313 395 V HA 0.286 4.406 4.120 -0.000 0.000 0.278 395 V C -2.090 173.831 176.094 -0.288 0.000 1.017 395 V CA -1.703 60.485 62.300 -0.187 0.000 0.823 395 V CB 1.099 32.869 31.823 -0.089 0.000 1.010 395 V HN 0.574 nan 8.190 nan 0.000 0.443 396 P HA 0.021 nan 4.420 nan 0.000 0.273 396 P C 1.020 178.084 177.300 -0.393 0.000 1.258 396 P CA 0.013 62.744 63.100 -0.615 0.000 0.802 396 P CB 0.645 31.685 31.700 -1.101 0.000 1.040 397 Q N 0.606 120.271 119.800 -0.224 0.000 1.967 397 Q HA -0.252 4.088 4.340 -0.000 0.000 0.210 397 Q C 0.727 176.789 176.000 0.104 0.000 1.005 397 Q CA 2.106 57.888 55.803 -0.035 0.000 0.862 397 Q CB -0.412 28.326 28.738 -0.000 0.000 0.939 397 Q HN 0.428 nan 8.270 nan 0.000 0.417 398 N N -0.753 118.069 118.700 0.203 0.000 2.251 398 N HA 0.108 4.848 4.740 -0.000 0.000 0.217 398 N C -1.053 174.638 175.510 0.301 0.000 1.124 398 N CA -0.645 52.553 53.050 0.247 0.000 0.843 398 N CB 0.368 38.922 38.487 0.111 0.000 1.024 398 N HN 0.028 nan 8.380 nan 0.000 0.501 399 F N 1.173 121.136 119.950 0.021 0.000 2.471 399 F HA 0.129 4.656 4.527 -0.000 0.000 0.353 399 F C 0.862 176.678 175.800 0.027 0.000 1.113 399 F CA -1.135 56.867 58.000 0.003 0.000 1.262 399 F CB 0.335 39.332 39.000 -0.005 0.000 1.146 399 F HN -0.283 nan 8.300 nan 0.000 0.578 400 V N 4.120 124.137 119.914 0.172 0.000 2.546 400 V HA 0.451 4.571 4.120 -0.000 0.000 0.284 400 V C -0.146 175.992 176.094 0.073 0.000 1.050 400 V CA -0.601 61.768 62.300 0.116 0.000 0.981 400 V CB 1.246 33.118 31.823 0.083 0.000 0.990 400 V HN 0.502 nan 8.190 nan 0.000 0.474 401 V N 2.455 122.354 119.914 -0.025 0.000 2.656 401 V HA 0.978 5.098 4.120 -0.000 0.000 0.307 401 V C -0.044 176.145 176.094 0.157 0.000 1.051 401 V CA -0.673 61.639 62.300 0.019 0.000 0.893 401 V CB 1.489 33.291 31.823 -0.036 0.000 0.999 401 V HN 1.078 nan 8.190 nan 0.000 0.426 402 A N 2.618 125.559 122.820 0.200 0.000 2.520 402 A HA 1.035 5.355 4.320 -0.000 0.000 0.298 402 A C -0.579 176.943 177.584 -0.103 0.000 1.051 402 A CA -0.130 52.002 52.037 0.157 0.000 0.690 402 A CB 1.962 20.996 19.000 0.057 0.000 1.281 402 A HN 2.012 nan 8.150 nan 0.000 0.402 403 A N 1.440 123.939 122.820 -0.534 0.000 2.515 403 A HA 0.892 5.212 4.320 -0.000 0.000 0.298 403 A C -0.593 176.644 177.584 -0.578 0.000 1.059 403 A CA -0.602 51.012 52.037 -0.706 0.000 0.698 403 A CB 1.480 19.745 19.000 -1.225 0.000 1.289 403 A HN 0.897 nan 8.150 nan 0.000 0.404 404 R N 0.963 121.215 120.500 -0.413 0.000 2.621 404 R HA 0.559 4.899 4.340 -0.000 0.000 0.292 404 R C -0.601 175.515 176.300 -0.307 0.000 0.969 404 R CA -0.247 55.676 56.100 -0.294 0.000 0.887 404 R CB 1.902 32.081 30.300 -0.202 0.000 1.180 404 R HN 0.797 nan 8.270 nan 0.000 0.450 405 S N 2.058 117.630 115.700 -0.213 0.000 2.528 405 S HA 0.087 4.557 4.470 -0.000 0.000 0.277 405 S C 0.388 174.913 174.600 -0.124 0.000 1.297 405 S CA -0.099 58.004 58.200 -0.162 0.000 1.052 405 S CB 1.060 64.265 63.200 0.008 0.000 0.917 405 S HN 0.698 nan 8.310 nan 0.000 0.492 406 Q N 2.305 122.024 119.800 -0.135 0.000 2.219 406 Q HA 0.298 4.637 4.340 -0.000 0.000 0.209 406 Q C -0.401 175.588 176.000 -0.020 0.000 0.854 406 Q CA -0.138 55.616 55.803 -0.082 0.000 0.960 406 Q CB 0.905 29.581 28.738 -0.102 0.000 1.116 406 Q HN 0.557 nan 8.270 nan 0.000 0.500 407 S N -0.169 115.549 115.700 0.029 0.000 2.661 407 S HA 0.331 4.801 4.470 -0.000 0.000 0.285 407 S C -1.248 173.401 174.600 0.083 0.000 1.138 407 S CA -0.766 57.477 58.200 0.071 0.000 0.855 407 S CB 1.849 65.124 63.200 0.125 0.000 1.136 407 S HN 0.048 nan 8.310 nan 0.000 0.484 408 D N 1.752 122.195 120.400 0.073 0.000 2.408 408 D HA 0.365 5.005 4.640 -0.000 0.000 0.261 408 D C -1.159 175.183 176.300 0.070 0.000 1.190 408 D CA -0.286 53.753 54.000 0.065 0.000 0.910 408 D CB 0.348 41.175 40.800 0.044 0.000 1.097 408 D HN 0.292 nan 8.370 nan 0.000 0.522 409 N N 1.002 119.750 118.700 0.080 0.000 2.459 409 N HA 0.321 5.061 4.740 -0.000 0.000 0.288 409 N C -0.711 174.881 175.510 0.136 0.000 1.186 409 N CA -0.454 52.653 53.050 0.096 0.000 0.917 409 N CB 1.156 39.684 38.487 0.068 0.000 1.219 409 N HN 0.263 nan 8.380 nan 0.000 0.525 410 F N 0.959 120.924 119.950 0.025 0.000 2.404 410 F HA 0.349 4.876 4.527 -0.000 0.000 0.358 410 F C -0.130 175.695 175.800 0.042 0.000 1.120 410 F CA -0.487 57.535 58.000 0.037 0.000 1.144 410 F CB 0.355 39.372 39.000 0.029 0.000 1.133 410 F HN 0.323 nan 8.300 nan 0.000 0.495 411 E N 6.066 125.904 120.200 -0.603 0.000 2.238 411 E HA 0.411 4.761 4.350 -0.000 0.000 0.267 411 E C -1.591 174.551 176.600 -0.764 0.000 0.887 411 E CA -0.835 55.153 56.400 -0.686 0.000 0.769 411 E CB 2.390 31.899 29.700 -0.319 0.000 1.187 411 E HN 0.656 nan 8.360 nan 0.000 0.416 412 Y N -1.529 118.287 120.300 -0.806 0.000 2.644 412 Y HA 0.736 5.286 4.550 -0.000 0.000 0.338 412 Y C -1.417 174.252 175.900 -0.385 0.000 1.119 412 Y CA -1.240 56.558 58.100 -0.504 0.000 1.060 412 Y CB 0.822 39.031 38.460 -0.419 0.000 1.294 412 Y HN 0.165 nan 8.280 nan 0.000 0.472 413 V N 1.009 120.853 119.914 -0.116 0.000 2.656 413 V HA 0.631 4.751 4.120 -0.000 0.000 0.307 413 V C -0.673 175.300 176.094 -0.202 0.000 1.051 413 V CA -0.751 61.314 62.300 -0.391 0.000 0.893 413 V CB 1.421 32.787 31.823 -0.760 0.000 0.999 413 V HN 0.815 nan 8.190 nan 0.000 0.426 414 S N 3.663 119.218 115.700 -0.241 0.000 2.669 414 S HA 0.663 5.133 4.470 -0.000 0.000 0.315 414 S C -0.963 173.519 174.600 -0.197 0.000 1.106 414 S CA -0.406 57.742 58.200 -0.086 0.000 1.107 414 S CB 0.052 63.303 63.200 0.084 0.000 0.990 414 S HN 0.435 nan 8.310 nan 0.000 0.471 415 F N 4.850 124.803 119.950 0.004 0.000 2.413 415 F HA 0.396 4.923 4.527 -0.000 0.000 0.359 415 F C 1.089 176.880 175.800 -0.014 0.000 1.122 415 F CA -0.510 57.483 58.000 -0.010 0.000 1.160 415 F CB 0.689 39.678 39.000 -0.018 0.000 1.146 415 F HN 0.187 nan 8.300 nan 0.000 0.514 416 K N 1.328 121.803 120.400 0.125 0.000 2.130 416 K HA 0.299 4.619 4.320 -0.000 0.000 0.268 416 K C 0.360 176.996 176.600 0.061 0.000 0.983 416 K CA -0.473 55.852 56.287 0.065 0.000 0.893 416 K CB 1.412 33.926 32.500 0.024 0.000 1.066 416 K HN 0.560 nan 8.250 nan 0.000 0.450 417 T N -0.209 114.364 114.554 0.032 0.000 3.783 417 T HA 0.184 4.534 4.350 -0.000 0.000 0.262 417 T C -0.041 174.663 174.700 0.007 0.000 1.381 417 T CA -0.664 61.447 62.100 0.020 0.000 1.155 417 T CB -0.686 68.185 68.868 0.005 0.000 1.256 417 T HN 0.476 nan 8.240 nan 0.000 0.807 418 N N 1.674 120.379 118.700 0.008 0.000 2.666 418 N HA 0.026 4.766 4.740 -0.000 0.000 0.260 418 N C -0.007 175.500 175.510 -0.005 0.000 1.077 418 N CA -0.387 52.661 53.050 -0.003 0.000 1.026 418 N CB 1.872 40.355 38.487 -0.006 0.000 1.653 418 N HN 0.455 nan 8.380 nan 0.000 0.533 419 D N 0.797 121.189 120.400 -0.014 0.000 2.384 419 D HA -0.082 4.558 4.640 -0.000 0.000 0.222 419 D C -0.275 176.010 176.300 -0.025 0.000 0.976 419 D CA 0.777 54.764 54.000 -0.021 0.000 0.915 419 D CB 0.004 40.784 40.800 -0.033 0.000 0.896 419 D HN 0.504 nan 8.370 nan 0.000 0.523 420 T N -0.948 113.592 114.554 -0.024 0.000 3.298 420 T HA 0.391 4.741 4.350 -0.000 0.000 0.318 420 T C -3.059 171.624 174.700 -0.028 0.000 1.165 420 T CA -1.490 60.594 62.100 -0.028 0.000 1.557 420 T CB 1.434 70.286 68.868 -0.027 0.000 0.898 420 T HN -0.163 nan 8.240 nan 0.000 0.585 421 P HA 0.506 nan 4.420 nan 0.000 0.285 421 P C -0.512 176.758 177.300 -0.050 0.000 1.259 421 P CA -0.546 62.534 63.100 -0.034 0.000 0.794 421 P CB 0.704 32.385 31.700 -0.032 0.000 0.940 422 M N 3.802 123.371 119.600 -0.050 0.000 2.268 422 M HA 0.485 4.965 4.480 -0.000 0.000 0.344 422 M C 0.104 176.337 176.300 -0.111 0.000 1.106 422 M CA -0.770 54.487 55.300 -0.072 0.000 1.010 422 M CB 1.307 33.874 32.600 -0.054 0.000 1.649 422 M HN 0.284 nan 8.290 nan 0.000 0.443 423 I N -0.417 120.070 120.570 -0.138 0.000 2.404 423 I HA 0.821 4.991 4.170 -0.000 0.000 0.293 423 I C 0.074 176.043 176.117 -0.246 0.000 0.992 423 I CA -0.645 60.549 61.300 -0.178 0.000 1.149 423 I CB 1.795 39.742 38.000 -0.087 0.000 1.315 423 I HN 0.689 nan 8.210 nan 0.000 0.446 424 G N 4.088 112.563 108.800 -0.541 0.000 2.327 424 G HA2 0.445 4.405 3.960 -0.000 0.000 0.302 424 G HA3 0.445 4.405 3.960 -0.000 0.000 0.302 424 G C -0.335 174.479 174.900 -0.143 0.000 1.113 424 G CA -0.267 44.522 45.100 -0.519 0.000 0.921 424 G HN 0.674 nan 8.290 nan 0.000 0.425 425 T N 2.243 116.817 114.554 0.034 0.000 2.882 425 T HA 0.230 4.580 4.350 -0.000 0.000 0.287 425 T C 0.941 175.748 174.700 0.178 0.000 0.992 425 T CA -0.194 61.999 62.100 0.156 0.000 1.076 425 T CB 1.212 70.164 68.868 0.139 0.000 0.961 425 T HN 0.176 nan 8.240 nan 0.000 0.490 426 L N 2.862 124.204 121.223 0.199 0.000 2.664 426 L HA 0.546 4.886 4.340 -0.000 0.000 0.233 426 L C 0.723 177.658 176.870 0.108 0.000 1.113 426 L CA 0.308 55.250 54.840 0.170 0.000 0.896 426 L CB 0.023 42.193 42.059 0.186 0.000 1.163 426 L HN 0.716 nan 8.230 nan 0.000 0.497 427 A N -1.570 121.308 122.820 0.097 0.000 2.517 427 A HA 0.789 5.109 4.320 -0.000 0.000 0.297 427 A C -0.153 177.474 177.584 0.073 0.000 1.050 427 A CA 0.045 52.118 52.037 0.060 0.000 0.694 427 A CB 1.098 20.122 19.000 0.039 0.000 1.277 427 A HN 0.234 nan 8.150 nan 0.000 0.400 428 G N -0.657 108.180 108.800 0.062 0.000 2.347 428 G HA2 0.523 4.483 3.960 -0.000 0.000 0.477 428 G HA3 0.523 4.483 3.960 -0.000 0.000 0.477 428 G C 0.704 175.639 174.900 0.058 0.000 1.349 428 G CA 0.313 45.461 45.100 0.079 0.000 1.000 428 G HN 2.068 nan 8.290 nan 0.000 0.605 429 A N -0.040 122.814 122.820 0.056 0.000 2.032 429 A HA -0.065 4.255 4.320 -0.000 0.000 0.221 429 A C 1.745 179.349 177.584 0.033 0.000 1.165 429 A CA 2.511 54.564 52.037 0.027 0.000 0.645 429 A CB -0.463 18.553 19.000 0.027 0.000 0.807 429 A HN 1.694 nan 8.150 nan 0.000 0.453 430 N N -0.495 118.237 118.700 0.052 0.000 2.238 430 N HA 0.047 4.787 4.740 -0.000 0.000 0.235 430 N C 0.136 175.681 175.510 0.058 0.000 1.209 430 N CA 0.522 53.600 53.050 0.048 0.000 0.879 430 N CB -0.502 38.012 38.487 0.046 0.000 1.136 430 N HN 0.370 nan 8.380 nan 0.000 0.517 431 S N 0.076 115.816 115.700 0.067 0.000 2.580 431 S HA 0.059 4.529 4.470 -0.000 0.000 0.261 431 S C 1.325 175.976 174.600 0.086 0.000 1.366 431 S CA -0.489 57.761 58.200 0.083 0.000 0.996 431 S CB 0.725 63.975 63.200 0.082 0.000 0.902 431 S HN 0.050 nan 8.310 nan 0.000 0.566 432 L N 0.628 121.920 121.223 0.114 0.000 2.072 432 L HA 0.107 4.447 4.340 -0.000 0.000 0.205 432 L C 2.341 179.286 176.870 0.124 0.000 1.079 432 L CA 1.392 56.308 54.840 0.127 0.000 0.752 432 L CB -1.028 41.138 42.059 0.179 0.000 0.906 432 L HN 0.754 nan 8.230 nan 0.000 0.436 433 L N -1.047 120.257 121.223 0.135 0.000 2.201 433 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 433 L C 2.214 179.145 176.870 0.102 0.000 1.105 433 L CA 0.918 55.847 54.840 0.147 0.000 0.775 433 L CB -0.769 41.373 42.059 0.138 0.000 0.913 433 L HN 0.402 nan 8.230 nan 0.000 0.440 434 N N 0.676 119.421 118.700 0.075 0.000 2.289 434 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 434 N C 1.566 177.107 175.510 0.051 0.000 1.016 434 N CA 1.353 54.435 53.050 0.053 0.000 0.872 434 N CB 0.229 38.742 38.487 0.043 0.000 0.973 434 N HN 0.324 nan 8.380 nan 0.000 0.433 435 A N 0.195 123.052 122.820 0.060 0.000 2.275 435 A HA 0.224 4.544 4.320 -0.000 0.000 0.212 435 A C 0.906 178.523 177.584 0.055 0.000 1.201 435 A CA -0.214 51.855 52.037 0.053 0.000 0.843 435 A CB 0.117 19.149 19.000 0.053 0.000 0.873 435 A HN 0.121 nan 8.150 nan 0.000 0.492 436 L N 0.848 122.113 121.223 0.069 0.000 2.395 436 L HA 0.271 4.611 4.340 -0.000 0.000 0.269 436 L C -2.284 174.621 176.870 0.059 0.000 1.133 436 L CA -2.128 52.753 54.840 0.068 0.000 0.812 436 L CB 0.727 42.842 42.059 0.093 0.000 1.125 436 L HN 0.015 nan 8.230 nan 0.000 0.452 437 P HA -0.060 nan 4.420 nan 0.000 0.261 437 P C 0.374 177.708 177.300 0.057 0.000 1.183 437 P CA 0.240 63.369 63.100 0.048 0.000 0.761 437 P CB 0.518 32.245 31.700 0.045 0.000 0.785 438 E N 2.566 122.795 120.200 0.048 0.000 2.130 438 E HA -0.305 4.045 4.350 -0.000 0.000 0.196 438 E C 1.524 178.149 176.600 0.041 0.000 0.998 438 E CA 1.408 57.834 56.400 0.043 0.000 0.806 438 E CB 0.076 29.794 29.700 0.029 0.000 0.738 438 E HN 0.543 nan 8.360 nan 0.000 0.459 439 E N -0.407 119.825 120.200 0.053 0.000 2.106 439 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 439 E C 2.146 178.825 176.600 0.132 0.000 0.984 439 E CA 1.321 57.769 56.400 0.081 0.000 0.806 439 E CB 0.134 29.899 29.700 0.110 0.000 0.750 439 E HN 0.313 nan 8.360 nan 0.000 0.458 440 V N -1.136 118.846 119.914 0.113 0.000 2.871 440 V HA -0.070 4.050 4.120 -0.000 0.000 0.256 440 V C 1.993 178.121 176.094 0.057 0.000 1.082 440 V CA 0.984 63.352 62.300 0.113 0.000 1.105 440 V CB -0.310 31.548 31.823 0.059 0.000 0.713 440 V HN 0.225 nan 8.190 nan 0.000 0.473 441 I N 0.128 120.743 120.570 0.075 0.000 2.394 441 I HA -0.194 3.976 4.170 -0.000 0.000 0.251 441 I C 2.860 179.055 176.117 0.130 0.000 1.136 441 I CA 1.596 62.994 61.300 0.163 0.000 1.425 441 I CB -0.057 38.058 38.000 0.191 0.000 1.079 441 I HN 0.392 nan 8.210 nan 0.000 0.425 442 Q N -0.383 119.400 119.800 -0.029 0.000 2.046 442 Q HA -0.227 4.113 4.340 -0.000 0.000 0.200 442 Q C 1.870 177.690 176.000 -0.302 0.000 0.975 442 Q CA 1.670 57.358 55.803 -0.192 0.000 0.836 442 Q CB -0.170 28.340 28.738 -0.381 0.000 0.896 442 Q HN 0.629 nan 8.270 nan 0.000 0.428 443 H N -1.023 118.052 119.070 0.008 0.000 2.529 443 H HA -0.011 4.545 4.556 -0.000 0.000 0.277 443 H C 2.121 177.402 175.328 -0.078 0.000 0.999 443 H CA 1.469 57.502 56.048 -0.024 0.000 1.256 443 H CB 0.257 30.002 29.762 -0.027 0.000 1.402 443 H HN 0.332 nan 8.280 nan 0.000 0.566 444 T N -2.690 111.803 114.554 -0.100 0.000 3.040 444 T HA -0.015 4.335 4.350 -0.000 0.000 0.252 444 T C 1.083 175.543 174.700 -0.400 0.000 1.064 444 T CA 0.339 62.261 62.100 -0.297 0.000 1.110 444 T CB -0.044 68.527 68.868 -0.495 0.000 0.921 444 T HN 0.134 nan 8.240 nan 0.000 0.480 445 F N 1.325 121.272 119.950 -0.005 0.000 2.678 445 F HA 0.461 4.988 4.527 -0.000 0.000 0.305 445 F C 0.816 176.602 175.800 -0.023 0.000 1.090 445 F CA -1.328 56.665 58.000 -0.013 0.000 1.272 445 F CB -0.721 38.270 39.000 -0.016 0.000 1.060 445 F HN 0.120 nan 8.300 nan 0.000 0.576 446 N N 1.383 120.141 118.700 0.096 0.000 2.727 446 N HA -0.190 4.550 4.740 -0.000 0.000 0.251 446 N C -0.942 174.588 175.510 0.034 0.000 1.040 446 N CA 0.255 53.331 53.050 0.044 0.000 0.712 446 N CB -0.973 37.543 38.487 0.048 0.000 0.912 446 N HN 0.246 nan 8.380 nan 0.000 0.545 447 L N -0.528 120.705 121.223 0.018 0.000 2.260 447 L HA 0.570 4.910 4.340 -0.000 0.000 0.265 447 L C 0.586 177.433 176.870 -0.039 0.000 1.015 447 L CA -1.060 53.781 54.840 0.002 0.000 0.826 447 L CB 1.345 43.418 42.059 0.022 0.000 1.373 447 L HN 0.021 nan 8.230 nan 0.000 0.450 448 K N -0.650 119.733 120.400 -0.029 0.000 2.166 448 K HA 0.273 4.593 4.320 -0.000 0.000 0.245 448 K C 0.646 177.228 176.600 -0.029 0.000 0.967 448 K CA -0.511 55.756 56.287 -0.034 0.000 0.863 448 K CB 1.806 34.295 32.500 -0.019 0.000 1.107 448 K HN 0.502 nan 8.250 nan 0.000 0.436 449 S N 0.698 116.382 115.700 -0.027 0.000 2.392 449 S HA -0.258 4.212 4.470 -0.000 0.000 0.232 449 S C 1.814 176.408 174.600 -0.010 0.000 1.041 449 S CA 1.817 60.008 58.200 -0.015 0.000 1.026 449 S CB -0.059 63.137 63.200 -0.007 0.000 0.845 449 S HN 0.631 nan 8.310 nan 0.000 0.465 450 Q N 0.470 120.263 119.800 -0.011 0.000 2.016 450 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 450 Q C 2.153 178.144 176.000 -0.015 0.000 0.978 450 Q CA 1.839 57.635 55.803 -0.011 0.000 0.833 450 Q CB -0.497 28.235 28.738 -0.011 0.000 0.895 450 Q HN 0.763 nan 8.270 nan 0.000 0.427 451 Q N -0.259 119.530 119.800 -0.017 0.000 2.226 451 Q HA -0.058 4.282 4.340 -0.000 0.000 0.204 451 Q C 1.926 177.911 176.000 -0.025 0.000 0.975 451 Q CA 1.143 56.932 55.803 -0.023 0.000 0.866 451 Q CB -0.125 28.599 28.738 -0.024 0.000 0.915 451 Q HN 0.436 nan 8.270 nan 0.000 0.440 452 A N 1.246 124.058 122.820 -0.014 0.000 1.968 452 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 452 A C 1.986 179.567 177.584 -0.004 0.000 1.169 452 A CA 0.736 52.772 52.037 -0.001 0.000 0.638 452 A CB -0.123 18.881 19.000 0.007 0.000 0.812 452 A HN 0.156 nan 8.150 nan 0.000 0.446 453 R N -0.582 119.912 120.500 -0.009 0.000 2.073 453 R HA -0.080 4.260 4.340 -0.000 0.000 0.229 453 R C 2.285 178.573 176.300 -0.019 0.000 1.120 453 R CA 1.319 57.413 56.100 -0.010 0.000 0.967 453 R CB -0.411 29.883 30.300 -0.011 0.000 0.862 453 R HN 0.660 nan 8.270 nan 0.000 0.436 454 Q N 0.585 120.370 119.800 -0.025 0.000 2.096 454 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 454 Q C 2.201 178.176 176.000 -0.041 0.000 0.982 454 Q CA 1.271 57.054 55.803 -0.033 0.000 0.850 454 Q CB -0.077 28.640 28.738 -0.034 0.000 0.901 454 Q HN 0.355 nan 8.270 nan 0.000 0.422 455 I N 0.450 120.989 120.570 -0.051 0.000 2.252 455 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 455 I C 2.222 178.314 176.117 -0.041 0.000 1.102 455 I CA 1.162 62.421 61.300 -0.069 0.000 1.385 455 I CB -0.163 37.768 38.000 -0.115 0.000 1.064 455 I HN 0.139 nan 8.210 nan 0.000 0.414 456 K N 0.479 120.865 120.400 -0.023 0.000 2.057 456 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 456 K C 1.278 177.867 176.600 -0.018 0.000 1.050 456 K CA 1.176 57.458 56.287 -0.009 0.000 0.935 456 K CB -0.010 32.492 32.500 0.002 0.000 0.715 456 K HN 0.319 nan 8.250 nan 0.000 0.439 457 N N 0.049 118.733 118.700 -0.027 0.000 2.197 457 N HA 0.015 4.754 4.740 -0.000 0.000 0.201 457 N C 0.735 176.214 175.510 -0.052 0.000 1.148 457 N CA 0.195 53.221 53.050 -0.040 0.000 0.883 457 N CB 0.322 38.787 38.487 -0.036 0.000 1.012 457 N HN 0.074 nan 8.380 nan 0.000 0.507 458 N N 0.971 119.645 118.700 -0.043 0.000 2.331 458 N HA -0.062 4.678 4.740 -0.000 0.000 0.180 458 N C 0.073 175.556 175.510 -0.046 0.000 1.019 458 N CA 0.754 53.779 53.050 -0.042 0.000 0.881 458 N CB -0.037 38.431 38.487 -0.031 0.000 0.972 458 N HN 0.170 nan 8.380 nan 0.000 0.435 459 N N 0.544 119.220 118.700 -0.039 0.000 2.511 459 N HA 0.185 4.925 4.740 -0.000 0.000 0.249 459 N C -2.299 173.154 175.510 -0.095 0.000 0.971 459 N CA -1.739 51.297 53.050 -0.022 0.000 0.938 459 N CB 1.657 40.166 38.487 0.037 0.000 1.131 459 N HN 0.027 nan 8.380 nan 0.000 0.505 460 P HA 0.174 nan 4.420 nan 0.000 0.261 460 P C -0.554 176.509 177.300 -0.396 0.000 1.268 460 P CA 0.009 62.877 63.100 -0.387 0.000 0.833 460 P CB 0.045 31.424 31.700 -0.534 0.000 1.231 461 F N 0.837 120.793 119.950 0.010 0.000 2.397 461 F HA 0.431 4.958 4.527 -0.000 0.000 0.331 461 F C 1.163 176.988 175.800 0.040 0.000 1.090 461 F CA -1.136 56.876 58.000 0.019 0.000 1.065 461 F CB 0.862 39.868 39.000 0.010 0.000 1.184 461 F HN -0.383 nan 8.300 nan 0.000 0.499 462 K N 3.331 123.893 120.400 0.271 0.000 2.276 462 K HA 0.163 4.483 4.320 -0.000 0.000 0.285 462 K C 0.584 177.349 176.600 0.276 0.000 1.062 462 K CA -0.199 56.213 56.287 0.209 0.000 0.918 462 K CB -0.156 32.439 32.500 0.158 0.000 1.055 462 K HN 0.652 nan 8.250 nan 0.000 0.477 463 F N 2.578 122.561 119.950 0.055 0.000 2.585 463 F HA -0.416 4.111 4.527 -0.000 0.000 0.661 463 F C -0.513 175.333 175.800 0.076 0.000 0.487 463 F CA 1.593 59.607 58.000 0.023 0.000 0.686 463 F CB -0.885 38.088 39.000 -0.045 0.000 1.597 463 F HN 0.476 nan 8.300 nan 0.000 0.259 464 L N 0.963 122.237 121.223 0.084 0.000 2.289 464 L HA 0.581 4.920 4.340 -0.000 0.000 0.285 464 L C -0.244 176.596 176.870 -0.050 0.000 1.049 464 L CA -0.491 54.338 54.840 -0.018 0.000 0.804 464 L CB 1.164 43.264 42.059 0.070 0.000 1.195 464 L HN 0.102 nan 8.230 nan 0.000 0.428 465 V N 6.886 126.755 119.914 -0.075 0.000 2.555 465 V HA 0.649 4.769 4.120 -0.000 0.000 0.302 465 V C -2.263 173.749 176.094 -0.136 0.000 1.038 465 V CA -2.153 60.102 62.300 -0.074 0.000 0.887 465 V CB 2.344 34.176 31.823 0.014 0.000 0.991 465 V HN 0.632 nan 8.190 nan 0.000 0.434 466 P HA 0.283 nan 4.420 nan 0.000 0.271 466 P C -2.732 174.515 177.300 -0.089 0.000 1.244 466 P CA -0.959 62.033 63.100 -0.180 0.000 0.793 466 P CB -0.187 31.368 31.700 -0.241 0.000 0.984 467 P HA 0.016 nan 4.420 nan 0.000 0.266 467 P C 0.737 178.018 177.300 -0.032 0.000 1.195 467 P CA 0.284 63.355 63.100 -0.048 0.000 0.768 467 P CB 0.254 31.929 31.700 -0.042 0.000 0.838 468 Q N 1.686 121.469 119.800 -0.028 0.000 2.308 468 Q HA -0.228 4.112 4.340 -0.000 0.000 0.209 468 Q C -0.281 175.714 176.000 -0.010 0.000 0.985 468 Q CA 1.101 56.894 55.803 -0.016 0.000 0.881 468 Q CB -0.406 28.319 28.738 -0.022 0.000 0.917 468 Q HN 0.470 nan 8.270 nan 0.000 0.443 469 E N -0.365 119.827 120.200 -0.013 0.000 2.689 469 E HA -0.144 4.206 4.350 -0.000 0.000 0.165 469 E C -1.310 175.285 176.600 -0.008 0.000 1.609 469 E CA 0.406 56.801 56.400 -0.009 0.000 0.674 469 E CB -0.912 28.788 29.700 -0.001 0.000 1.103 469 E HN 0.223 nan 8.360 nan 0.000 0.373 470 S N 0.000 115.693 115.700 -0.012 0.000 2.498 470 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 470 S CA 0.000 58.193 58.200 -0.012 0.000 1.107 470 S CB 0.000 63.190 63.200 -0.016 0.000 0.593 470 S HN 0.000 nan 8.310 nan 0.000 0.517