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 1yx1_1_A DATA FIRST_RESID 3 DATA SEQUENCE LHPVSISLSS YGADLVRSRG QASFLPLLAX AGAQRVELRE ELFAGPPDTE DATA SEQUENCE ALTAAIQLQG LECVFSSPLE LWREDGQLNP ELEPTLRRAE ACGAGWLKVS DATA SEQUENCE LGLLPEQPDL AALGRRLARH GLQLLVENDQ TPQGGRIEVL ERFFRLAERQ DATA SEQUENCE QLDLAXTFDI GNWRWQEQAA DEAALRLGRY VGYVHCKAVI RNRDGKLVAV DATA SEQUENCE PPSAADLQYW QRLLQHFPEG VARAIEYPLQ GDDLLSLSRR HIAALARLGQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.749 176.870 -0.201 0.000 1.165 3 L CA 0.000 54.706 54.840 -0.223 0.000 0.813 3 L CB 0.000 42.017 42.059 -0.069 0.000 0.961 4 H N 1.272 120.371 119.070 0.049 0.000 2.482 4 H HA 0.396 4.952 4.556 -0.001 0.000 0.344 4 H C -2.332 173.030 175.328 0.057 0.000 1.151 4 H CA -1.990 54.090 56.048 0.053 0.000 1.300 4 H CB 1.132 30.928 29.762 0.057 0.000 1.494 4 H HN 0.215 nan 8.280 nan 0.000 0.542 5 P HA 0.074 nan 4.420 nan 0.000 0.271 5 P C -0.430 176.940 177.300 0.117 0.000 1.216 5 P CA -0.160 63.015 63.100 0.125 0.000 0.776 5 P CB 0.893 32.656 31.700 0.106 0.000 0.881 6 V N 2.125 122.097 119.914 0.098 0.000 2.604 6 V HA 0.481 4.601 4.120 -0.001 0.000 0.305 6 V C 0.245 176.383 176.094 0.073 0.000 1.043 6 V CA -0.401 61.950 62.300 0.084 0.000 0.888 6 V CB 1.942 33.816 31.823 0.085 0.000 0.995 6 V HN 0.631 nan 8.190 nan 0.000 0.429 7 S N 4.316 120.053 115.700 0.062 0.000 2.568 7 S HA 0.789 5.258 4.470 -0.001 0.000 0.302 7 S C -0.904 173.686 174.600 -0.017 0.000 1.082 7 S CA -0.603 57.635 58.200 0.063 0.000 1.009 7 S CB 1.143 64.451 63.200 0.179 0.000 1.069 7 S HN 0.531 nan 8.310 nan 0.000 0.500 8 I N 2.750 123.307 120.570 -0.021 0.000 2.418 8 I HA 0.294 4.463 4.170 -0.001 0.000 0.287 8 I C 0.100 176.139 176.117 -0.131 0.000 1.008 8 I CA -0.609 60.618 61.300 -0.121 0.000 1.104 8 I CB 1.987 39.941 38.000 -0.077 0.000 1.264 8 I HN 0.566 nan 8.210 nan 0.000 0.438 9 S N 5.936 121.488 115.700 -0.246 0.000 2.510 9 S HA 0.275 4.744 4.470 -0.001 0.000 0.279 9 S C 1.103 175.541 174.600 -0.270 0.000 1.284 9 S CA -0.482 57.579 58.200 -0.231 0.000 1.059 9 S CB 0.505 63.520 63.200 -0.309 0.000 0.901 9 S HN 0.577 nan 8.310 nan 0.000 0.491 10 L N 4.599 125.693 121.223 -0.214 0.000 2.456 10 L HA -0.047 4.292 4.340 -0.001 0.000 0.224 10 L C 2.589 179.283 176.870 -0.294 0.000 1.148 10 L CA 0.878 55.571 54.840 -0.244 0.000 0.825 10 L CB -0.715 41.176 42.059 -0.279 0.000 0.937 10 L HN 0.840 nan 8.230 nan 0.000 0.450 11 S N -1.438 114.101 115.700 -0.269 0.000 2.440 11 S HA -0.161 4.308 4.470 -0.001 0.000 0.238 11 S C 2.039 176.481 174.600 -0.264 0.000 1.010 11 S CA 1.228 59.288 58.200 -0.233 0.000 0.972 11 S CB -0.367 62.718 63.200 -0.191 0.000 0.774 11 S HN 0.361 nan 8.310 nan 0.000 0.501 12 S N 1.091 116.553 115.700 -0.397 0.000 2.400 12 S HA -0.061 4.409 4.470 -0.001 0.000 0.232 12 S C 1.153 175.467 174.600 -0.476 0.000 1.025 12 S CA 1.275 59.169 58.200 -0.509 0.000 0.993 12 S CB -0.536 62.189 63.200 -0.792 0.000 0.808 12 S HN 0.736 nan 8.310 nan 0.000 0.478 13 Y N 1.282 121.425 120.300 -0.262 0.000 2.546 13 Y HA 0.353 4.903 4.550 -0.001 0.000 0.287 13 Y C 1.418 177.240 175.900 -0.129 0.000 1.158 13 Y CA 0.044 58.023 58.100 -0.203 0.000 1.307 13 Y CB -0.331 37.924 38.460 -0.342 0.000 1.036 13 Y HN 0.292 nan 8.280 nan 0.000 0.532 14 G N -0.463 108.315 108.800 -0.038 0.000 3.367 14 G HA2 0.127 4.086 3.960 -0.001 0.000 0.686 14 G HA3 0.127 4.086 3.960 -0.001 0.000 0.686 14 G C 0.578 175.458 174.900 -0.033 0.000 1.146 14 G CA -0.571 44.519 45.100 -0.017 0.000 0.913 14 G HN 0.393 nan 8.290 nan 0.000 0.554 15 A N 1.816 124.609 122.820 -0.045 0.000 1.883 15 A HA -0.013 4.306 4.320 -0.001 0.000 0.217 15 A C 2.115 179.685 177.584 -0.023 0.000 1.186 15 A CA 2.624 54.629 52.037 -0.053 0.000 0.624 15 A CB -0.341 18.628 19.000 -0.051 0.000 0.822 15 A HN 0.740 nan 8.150 nan 0.000 0.444 16 D N -0.448 119.952 120.400 -0.001 0.000 2.084 16 D HA -0.135 4.504 4.640 -0.001 0.000 0.194 16 D C 1.884 178.206 176.300 0.038 0.000 0.990 16 D CA 1.396 55.406 54.000 0.016 0.000 0.826 16 D CB -0.599 40.213 40.800 0.020 0.000 0.971 16 D HN 0.330 nan 8.370 nan 0.000 0.453 17 L N 0.714 121.972 121.223 0.059 0.000 2.012 17 L HA -0.179 4.160 4.340 -0.001 0.000 0.210 17 L C 2.255 179.224 176.870 0.164 0.000 1.073 17 L CA 1.405 56.312 54.840 0.112 0.000 0.748 17 L CB -0.381 41.770 42.059 0.152 0.000 0.891 17 L HN -0.103 nan 8.230 nan 0.000 0.431 18 V N -0.343 119.632 119.914 0.102 0.000 2.358 18 V HA -0.254 3.865 4.120 -0.001 0.000 0.246 18 V C 2.677 178.820 176.094 0.081 0.000 1.047 18 V CA 2.039 64.389 62.300 0.083 0.000 1.035 18 V CB -0.698 31.008 31.823 -0.194 0.000 0.658 18 V HN 0.442 nan 8.190 nan 0.000 0.452 19 R N -0.072 120.441 120.500 0.021 0.000 2.120 19 R HA -0.132 4.207 4.340 -0.001 0.000 0.234 19 R C 2.670 179.000 176.300 0.049 0.000 1.123 19 R CA 1.515 57.627 56.100 0.019 0.000 0.975 19 R CB -0.469 29.835 30.300 0.007 0.000 0.866 19 R HN 0.527 nan 8.270 nan 0.000 0.446 20 S N 0.440 116.175 115.700 0.058 0.000 2.345 20 S HA -0.090 4.380 4.470 -0.001 0.000 0.220 20 S C 1.865 176.495 174.600 0.050 0.000 1.031 20 S CA 0.923 59.153 58.200 0.050 0.000 0.996 20 S CB 0.115 63.342 63.200 0.045 0.000 0.882 20 S HN 0.170 nan 8.310 nan 0.000 0.445 21 R N 0.983 121.526 120.500 0.073 0.000 2.246 21 R HA 0.298 4.638 4.340 -0.001 0.000 0.199 21 R C 1.315 177.643 176.300 0.047 0.000 0.984 21 R CA 0.693 56.806 56.100 0.022 0.000 1.015 21 R CB -1.320 28.940 30.300 -0.066 0.000 0.930 21 R HN 0.569 nan 8.270 nan 0.000 0.475 22 G N 1.133 110.003 108.800 0.117 0.000 2.722 22 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.686 22 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.686 22 G C 0.256 175.274 174.900 0.197 0.000 1.282 22 G CA -0.223 44.946 45.100 0.115 0.000 0.817 22 G HN 0.212 nan 8.290 nan 0.000 0.605 23 Q N 0.812 120.674 119.800 0.103 0.000 2.119 23 Q HA -0.015 4.324 4.340 -0.001 0.000 0.201 23 Q C 3.145 179.270 176.000 0.207 0.000 0.972 23 Q CA 1.951 57.824 55.803 0.116 0.000 0.847 23 Q CB -0.122 28.509 28.738 -0.178 0.000 0.903 23 Q HN 1.148 nan 8.270 nan 0.000 0.433 24 A N 1.275 124.182 122.820 0.145 0.000 1.978 24 A HA -0.216 4.103 4.320 -0.001 0.000 0.220 24 A C 2.213 179.839 177.584 0.071 0.000 1.170 24 A CA 1.773 53.880 52.037 0.118 0.000 0.636 24 A CB -0.656 18.407 19.000 0.104 0.000 0.810 24 A HN 0.463 nan 8.150 nan 0.000 0.448 25 S N -1.504 114.208 115.700 0.020 0.000 2.507 25 S HA -0.026 4.443 4.470 -0.001 0.000 0.235 25 S C 1.275 175.702 174.600 -0.288 0.000 0.988 25 S CA 1.018 59.122 58.200 -0.160 0.000 0.944 25 S CB -0.683 62.344 63.200 -0.288 0.000 0.762 25 S HN 0.434 nan 8.310 nan 0.000 0.526 26 F N 1.045 120.939 119.950 -0.094 0.000 2.749 26 F HA 0.436 4.963 4.527 -0.001 0.000 0.300 26 F C 1.771 177.529 175.800 -0.069 0.000 1.103 26 F CA -0.299 57.614 58.000 -0.144 0.000 1.342 26 F CB -0.219 38.662 39.000 -0.198 0.000 1.098 26 F HN 0.131 nan 8.300 nan 0.000 0.586 27 L N 0.585 121.878 121.223 0.116 0.000 2.012 27 L HA -0.161 4.178 4.340 -0.001 0.000 0.210 27 L C -0.387 176.518 176.870 0.058 0.000 1.073 27 L CA 1.478 56.373 54.840 0.091 0.000 0.748 27 L CB -2.073 40.035 42.059 0.082 0.000 0.891 27 L HN 0.044 nan 8.230 nan 0.000 0.431 28 P HA -0.179 nan 4.420 nan 0.000 0.217 28 P C 1.789 179.098 177.300 0.015 0.000 1.150 28 P CA 0.991 64.098 63.100 0.011 0.000 0.832 28 P CB 0.021 31.712 31.700 -0.016 0.000 0.787 29 L N -0.918 120.305 121.223 0.000 0.000 1.990 29 L HA -0.186 4.153 4.340 -0.001 0.000 0.213 29 L C 2.124 179.037 176.870 0.071 0.000 1.072 29 L CA 1.991 56.842 54.840 0.017 0.000 0.755 29 L CB -1.536 40.509 42.059 -0.023 0.000 0.889 29 L HN -0.156 nan 8.230 nan 0.000 0.432 30 L N -0.130 121.153 121.223 0.100 0.000 2.017 30 L HA -0.017 4.322 4.340 -0.001 0.000 0.208 30 L C 1.813 178.736 176.870 0.089 0.000 1.073 30 L CA 1.515 56.426 54.840 0.118 0.000 0.745 30 L CB -1.349 40.787 42.059 0.128 0.000 0.894 30 L HN 0.376 nan 8.230 nan 0.000 0.432 34 G N -0.772 108.069 108.800 0.069 0.000 2.163 34 G HA2 0.299 4.258 3.960 -0.001 0.000 0.213 34 G HA3 0.299 4.258 3.960 -0.001 0.000 0.213 34 G C 0.559 175.501 174.900 0.070 0.000 0.991 34 G CA 0.640 45.779 45.100 0.064 0.000 0.653 34 G HN 2.002 nan 8.290 nan 0.000 0.518 35 A N -0.488 122.378 122.820 0.077 0.000 2.407 35 A HA 0.678 4.997 4.320 -0.001 0.000 0.248 35 A C 1.117 178.748 177.584 0.077 0.000 1.082 35 A CA 0.964 53.048 52.037 0.078 0.000 0.785 35 A CB 0.501 19.551 19.000 0.083 0.000 1.020 35 A HN 0.313 nan 8.150 nan 0.000 0.489 36 Q N 0.026 119.874 119.800 0.079 0.000 2.392 36 Q HA 0.174 4.513 4.340 -0.001 0.000 0.219 36 Q C 0.147 176.203 176.000 0.092 0.000 0.895 36 Q CA 1.098 56.952 55.803 0.084 0.000 0.929 36 Q CB 0.426 29.215 28.738 0.086 0.000 1.077 36 Q HN 0.741 nan 8.270 nan 0.000 0.532 37 R N -0.756 119.794 120.500 0.083 0.000 2.771 37 R HA 0.644 4.983 4.340 -0.001 0.000 0.274 37 R C -1.466 174.885 176.300 0.085 0.000 0.987 37 R CA -0.830 55.322 56.100 0.086 0.000 0.908 37 R CB 2.432 32.748 30.300 0.028 0.000 1.213 37 R HN -0.058 nan 8.270 nan 0.000 0.468 38 V N 1.009 120.981 119.914 0.097 0.000 2.547 38 V HA 0.303 4.423 4.120 -0.001 0.000 0.299 38 V C -0.660 175.482 176.094 0.079 0.000 1.040 38 V CA -0.402 61.949 62.300 0.085 0.000 0.913 38 V CB 1.683 33.563 31.823 0.095 0.000 0.992 38 V HN 0.842 nan 8.190 nan 0.000 0.449 39 E N 6.206 126.435 120.200 0.047 0.000 2.102 39 E HA 0.422 4.771 4.350 -0.001 0.000 0.263 39 E C -1.012 175.565 176.600 -0.038 0.000 0.894 39 E CA -0.585 55.843 56.400 0.046 0.000 0.746 39 E CB 1.030 30.791 29.700 0.102 0.000 1.129 39 E HN 0.755 nan 8.360 nan 0.000 0.416 40 L N 3.671 124.865 121.223 -0.047 0.000 2.452 40 L HA 0.366 4.705 4.340 -0.001 0.000 0.267 40 L C 0.481 177.139 176.870 -0.353 0.000 1.188 40 L CA -0.520 54.208 54.840 -0.187 0.000 0.821 40 L CB 0.521 42.546 42.059 -0.057 0.000 1.102 40 L HN 0.416 nan 8.230 nan 0.000 0.470 41 R N 1.837 122.065 120.500 -0.454 0.000 2.388 41 R HA 0.142 4.482 4.340 -0.001 0.000 0.314 41 R C 0.472 176.523 176.300 -0.416 0.000 0.959 41 R CA -0.439 55.420 56.100 -0.402 0.000 0.851 41 R CB 1.381 31.504 30.300 -0.296 0.000 1.168 41 R HN 0.659 nan 8.270 nan 0.000 0.472 42 E N 2.569 122.547 120.200 -0.370 0.000 2.114 42 E HA -0.255 4.094 4.350 -0.001 0.000 0.199 42 E C 1.111 177.775 176.600 0.107 0.000 1.008 42 E CA 1.892 58.289 56.400 -0.006 0.000 0.810 42 E CB 0.454 30.182 29.700 0.047 0.000 0.739 42 E HN 0.553 nan 8.360 nan 0.000 0.456 43 E N 0.558 120.739 120.200 -0.032 0.000 2.478 43 E HA -0.163 4.187 4.350 -0.001 0.000 0.198 43 E C 1.538 178.107 176.600 -0.051 0.000 1.046 43 E CA 0.628 57.016 56.400 -0.019 0.000 0.870 43 E CB -0.100 29.572 29.700 -0.048 0.000 0.818 43 E HN 0.446 nan 8.360 nan 0.000 0.527 44 L N 0.176 121.304 121.223 -0.159 0.000 2.667 44 L HA 0.295 4.634 4.340 -0.001 0.000 0.232 44 L C -0.035 176.691 176.870 -0.240 0.000 1.138 44 L CA -0.434 54.279 54.840 -0.211 0.000 0.921 44 L CB -0.063 41.825 42.059 -0.285 0.000 1.180 44 L HN -0.130 nan 8.230 nan 0.000 0.487 45 F N 1.169 121.106 119.950 -0.022 0.000 2.438 45 F HA 0.314 4.841 4.527 -0.001 0.000 0.356 45 F C 0.984 176.793 175.800 0.014 0.000 1.099 45 F CA -0.644 57.362 58.000 0.010 0.000 1.185 45 F CB 0.905 39.923 39.000 0.031 0.000 1.115 45 F HN -0.120 nan 8.300 nan 0.000 0.526 46 A N 4.112 127.051 122.820 0.198 0.000 2.923 46 A HA 0.588 4.907 4.320 -0.001 0.000 0.306 46 A C 0.698 178.357 177.584 0.124 0.000 1.542 46 A CA 0.327 52.438 52.037 0.123 0.000 1.225 46 A CB -1.088 17.962 19.000 0.084 0.000 1.147 46 A HN 1.283 nan 8.150 nan 0.000 0.542 47 G N 2.220 111.090 108.800 0.117 0.000 2.746 47 G HA2 -0.020 3.940 3.960 -0.001 0.000 0.685 47 G HA3 -0.020 3.940 3.960 -0.001 0.000 0.685 47 G C -3.005 171.931 174.900 0.061 0.000 1.350 47 G CA -0.687 44.459 45.100 0.076 0.000 0.837 47 G HN 0.585 nan 8.290 nan 0.000 0.564 48 P HA 0.365 nan 4.420 nan 0.000 0.271 48 P C -1.931 175.324 177.300 -0.074 0.000 1.220 48 P CA -0.860 62.195 63.100 -0.076 0.000 0.768 48 P CB 0.372 32.034 31.700 -0.063 0.000 0.848 49 P HA 0.160 nan 4.420 nan 0.000 0.281 49 P C -0.460 176.811 177.300 -0.049 0.000 1.249 49 P CA -0.295 62.763 63.100 -0.070 0.000 0.810 49 P CB 0.858 32.481 31.700 -0.127 0.000 1.008 50 D N 1.381 121.783 120.400 0.003 0.000 2.349 50 D HA -0.024 4.615 4.640 -0.001 0.000 0.266 50 D C 1.198 177.503 176.300 0.009 0.000 1.293 50 D CA 0.378 54.380 54.000 0.004 0.000 0.926 50 D CB 0.739 41.551 40.800 0.020 0.000 1.090 50 D HN 0.383 nan 8.370 nan 0.000 0.502 51 T N 1.065 115.609 114.554 -0.015 0.000 2.951 51 T HA -0.106 4.243 4.350 -0.001 0.000 0.268 51 T C 1.343 176.050 174.700 0.011 0.000 1.073 51 T CA 0.546 62.640 62.100 -0.009 0.000 1.134 51 T CB 0.210 69.052 68.868 -0.043 0.000 0.884 51 T HN 0.296 nan 8.240 nan 0.000 0.479 52 E N 1.697 121.901 120.200 0.006 0.000 2.072 52 E HA 0.090 4.439 4.350 -0.001 0.000 0.190 52 E C 2.632 179.246 176.600 0.024 0.000 0.982 52 E CA 1.219 57.626 56.400 0.011 0.000 0.803 52 E CB -0.606 29.096 29.700 0.004 0.000 0.755 52 E HN 0.686 nan 8.360 nan 0.000 0.453 53 A N 1.325 124.163 122.820 0.030 0.000 1.930 53 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 53 A C 2.227 179.844 177.584 0.056 0.000 1.175 53 A CA 0.935 52.995 52.037 0.038 0.000 0.627 53 A CB -0.521 18.502 19.000 0.038 0.000 0.815 53 A HN 0.189 nan 8.150 nan 0.000 0.443 54 L N -0.116 121.151 121.223 0.074 0.000 1.994 54 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 54 L C 2.570 179.495 176.870 0.093 0.000 1.071 54 L CA 2.802 57.706 54.840 0.106 0.000 0.745 54 L CB -1.206 40.942 42.059 0.149 0.000 0.892 54 L HN 0.389 nan 8.230 nan 0.000 0.431 55 T N -0.164 114.433 114.554 0.072 0.000 2.720 55 T HA -0.216 4.134 4.350 -0.001 0.000 0.268 55 T C 1.864 176.594 174.700 0.051 0.000 1.037 55 T CA 1.478 63.614 62.100 0.059 0.000 1.144 55 T CB -0.568 68.321 68.868 0.035 0.000 0.864 55 T HN 0.515 nan 8.240 nan 0.000 0.444 56 A N 1.267 124.112 122.820 0.042 0.000 1.930 56 A HA 0.202 4.521 4.320 -0.001 0.000 0.217 56 A C 2.633 180.242 177.584 0.041 0.000 1.175 56 A CA 1.749 53.807 52.037 0.035 0.000 0.627 56 A CB -1.014 18.002 19.000 0.027 0.000 0.815 56 A HN 0.511 nan 8.150 nan 0.000 0.443 57 A N -0.045 122.805 122.820 0.050 0.000 1.898 57 A HA -0.048 4.272 4.320 -0.001 0.000 0.216 57 A C 2.106 179.726 177.584 0.060 0.000 1.181 57 A CA 1.436 53.504 52.037 0.052 0.000 0.620 57 A CB -0.567 18.468 19.000 0.059 0.000 0.819 57 A HN 0.491 nan 8.150 nan 0.000 0.442 58 I N -0.532 120.082 120.570 0.073 0.000 2.179 58 I HA -0.324 3.845 4.170 -0.001 0.000 0.242 58 I C 2.810 178.968 176.117 0.069 0.000 1.088 58 I CA 1.618 62.967 61.300 0.082 0.000 1.357 58 I CB -0.444 37.616 38.000 0.100 0.000 1.051 58 I HN 0.439 nan 8.210 nan 0.000 0.409 59 Q N 0.045 119.879 119.800 0.057 0.000 2.119 59 Q HA -0.221 4.119 4.340 -0.001 0.000 0.201 59 Q C 2.276 178.301 176.000 0.042 0.000 0.972 59 Q CA 1.236 57.067 55.803 0.047 0.000 0.847 59 Q CB -0.234 28.525 28.738 0.036 0.000 0.903 59 Q HN 0.362 nan 8.270 nan 0.000 0.433 60 L N 0.942 122.188 121.223 0.039 0.000 2.131 60 L HA -0.192 4.148 4.340 -0.001 0.000 0.210 60 L C 1.813 178.704 176.870 0.035 0.000 1.092 60 L CA 1.780 56.640 54.840 0.033 0.000 0.759 60 L CB -0.238 41.838 42.059 0.029 0.000 0.903 60 L HN 0.154 nan 8.230 nan 0.000 0.435 61 Q N -0.210 119.616 119.800 0.043 0.000 2.425 61 Q HA 0.204 4.543 4.340 -0.001 0.000 0.204 61 Q C 1.407 177.437 176.000 0.051 0.000 0.933 61 Q CA 0.741 56.571 55.803 0.046 0.000 0.939 61 Q CB 0.003 28.772 28.738 0.052 0.000 1.044 61 Q HN 0.640 nan 8.270 nan 0.000 0.513 62 G N 1.295 110.127 108.800 0.053 0.000 2.176 62 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.252 62 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.252 62 G C -0.093 174.849 174.900 0.070 0.000 1.024 62 G CA 0.108 45.241 45.100 0.055 0.000 0.755 62 G HN 0.260 nan 8.290 nan 0.000 0.507 63 L N -0.158 121.112 121.223 0.079 0.000 2.343 63 L HA 0.590 4.930 4.340 -0.001 0.000 0.275 63 L C 0.890 177.832 176.870 0.119 0.000 1.056 63 L CA -0.922 53.976 54.840 0.098 0.000 0.804 63 L CB 1.092 43.211 42.059 0.099 0.000 1.203 63 L HN 0.204 nan 8.230 nan 0.000 0.440 64 E N 0.240 120.534 120.200 0.156 0.000 2.292 64 E HA 0.378 4.728 4.350 -0.001 0.000 0.258 64 E C -1.177 175.572 176.600 0.248 0.000 1.115 64 E CA -0.558 55.980 56.400 0.231 0.000 0.929 64 E CB 1.975 31.890 29.700 0.359 0.000 1.161 64 E HN 0.495 nan 8.360 nan 0.000 0.453 65 C N 1.302 120.807 119.300 0.342 0.000 2.551 65 C HA 0.491 4.950 4.460 -0.001 0.000 0.332 65 C C -1.116 174.114 174.990 0.400 0.000 1.139 65 C CA -0.454 58.734 59.018 0.283 0.000 1.328 65 C CB 0.177 28.050 27.740 0.223 0.000 1.903 65 C HN 0.433 nan 8.230 nan 0.000 0.459 66 V N 5.660 125.729 119.914 0.258 0.000 2.427 66 V HA 0.456 4.575 4.120 -0.001 0.000 0.286 66 V C -0.354 175.900 176.094 0.266 0.000 1.034 66 V CA -0.306 62.140 62.300 0.243 0.000 0.893 66 V CB 1.526 33.299 31.823 -0.083 0.000 0.982 66 V HN 0.789 nan 8.190 nan 0.000 0.452 67 F N 3.838 123.873 119.950 0.142 0.000 2.385 67 F HA 0.538 5.064 4.527 -0.001 0.000 0.360 67 F C 0.508 176.363 175.800 0.092 0.000 1.122 67 F CA 0.048 58.120 58.000 0.120 0.000 1.090 67 F CB 1.471 40.537 39.000 0.110 0.000 1.150 67 F HN 0.475 nan 8.300 nan 0.000 0.472 68 S N 4.771 120.391 115.700 -0.133 0.000 2.457 68 S HA 0.511 4.980 4.470 -0.001 0.000 0.289 68 S C -0.554 173.969 174.600 -0.129 0.000 1.163 68 S CA -0.415 57.744 58.200 -0.068 0.000 1.078 68 S CB 0.838 64.002 63.200 -0.060 0.000 0.987 68 S HN 0.715 nan 8.310 nan 0.000 0.482 69 S N 4.444 120.163 115.700 0.032 0.000 2.513 69 S HA 0.656 5.126 4.470 -0.001 0.000 0.299 69 S C -2.105 172.488 174.600 -0.012 0.000 1.087 69 S CA -1.715 56.511 58.200 0.044 0.000 1.012 69 S CB 1.567 64.862 63.200 0.159 0.000 1.044 69 S HN 0.669 nan 8.310 nan 0.000 0.485 70 P HA 0.122 nan 4.420 nan 0.000 0.245 70 P C 0.449 177.718 177.300 -0.051 0.000 1.212 70 P CA -0.128 62.938 63.100 -0.057 0.000 0.774 70 P CB -0.571 31.094 31.700 -0.058 0.000 0.999 71 L N -1.156 120.048 121.223 -0.032 0.000 2.514 71 L HA 0.176 4.516 4.340 -0.001 0.000 0.280 71 L C -0.032 176.796 176.870 -0.070 0.000 1.223 71 L CA 0.347 55.160 54.840 -0.045 0.000 0.864 71 L CB -0.453 41.582 42.059 -0.039 0.000 1.118 71 L HN -0.174 nan 8.230 nan 0.000 0.494 72 E N 2.699 122.854 120.200 -0.075 0.000 2.146 72 E HA 0.141 4.490 4.350 -0.001 0.000 0.282 72 E C 0.554 177.089 176.600 -0.108 0.000 0.989 72 E CA -0.680 55.670 56.400 -0.082 0.000 0.799 72 E CB 1.724 31.389 29.700 -0.058 0.000 1.088 72 E HN 0.746 nan 8.360 nan 0.000 0.397 73 L N 4.410 125.546 121.223 -0.145 0.000 2.012 73 L HA -0.086 4.253 4.340 -0.001 0.000 0.210 73 L C 0.163 176.806 176.870 -0.380 0.000 1.073 73 L CA 1.723 56.392 54.840 -0.285 0.000 0.748 73 L CB 0.059 41.916 42.059 -0.337 0.000 0.891 73 L HN 0.560 nan 8.230 nan 0.000 0.431 74 W N 1.263 122.482 121.300 -0.136 0.000 2.429 74 W HA 0.364 5.023 4.660 -0.001 0.000 0.314 74 W C 0.398 176.868 176.519 -0.082 0.000 1.062 74 W CA -0.870 56.415 57.345 -0.101 0.000 1.211 74 W CB 0.797 30.192 29.460 -0.108 0.000 1.305 74 W HN 0.027 nan 8.180 nan 0.000 0.476 75 R N 1.244 121.825 120.500 0.135 0.000 2.707 75 R HA 0.019 4.359 4.340 -0.001 0.000 0.270 75 R C 1.453 177.807 176.300 0.090 0.000 1.083 75 R CA -0.198 55.947 56.100 0.076 0.000 1.182 75 R CB 0.959 31.286 30.300 0.045 0.000 1.084 75 R HN 0.512 nan 8.270 nan 0.000 0.528 76 E N 1.102 121.329 120.200 0.045 0.000 2.118 76 E HA -0.238 4.111 4.350 -0.001 0.000 0.195 76 E C 1.049 177.671 176.600 0.035 0.000 0.992 76 E CA 1.694 58.112 56.400 0.031 0.000 0.804 76 E CB -0.059 29.650 29.700 0.015 0.000 0.741 76 E HN 0.630 nan 8.360 nan 0.000 0.458 77 D N -0.748 119.677 120.400 0.042 0.000 2.363 77 D HA -0.030 4.609 4.640 -0.001 0.000 0.226 77 D C 1.287 177.624 176.300 0.062 0.000 1.020 77 D CA 0.916 54.940 54.000 0.040 0.000 0.892 77 D CB 0.153 40.972 40.800 0.032 0.000 0.900 77 D HN 0.270 nan 8.370 nan 0.000 0.531 78 G N -0.763 108.098 108.800 0.103 0.000 2.195 78 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.246 78 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.246 78 G C 0.157 175.228 174.900 0.286 0.000 0.984 78 G CA -0.025 45.160 45.100 0.142 0.000 0.633 78 G HN 0.389 nan 8.290 nan 0.000 0.525 79 Q N 0.034 119.960 119.800 0.210 0.000 2.260 79 Q HA 0.607 4.946 4.340 -0.001 0.000 0.238 79 Q C 1.032 177.066 176.000 0.056 0.000 0.948 79 Q CA -0.524 55.374 55.803 0.160 0.000 0.895 79 Q CB 1.173 29.947 28.738 0.060 0.000 1.218 79 Q HN 0.460 nan 8.270 nan 0.000 0.470 80 L N 1.836 122.969 121.223 -0.149 0.000 2.483 80 L HA 0.014 4.353 4.340 -0.001 0.000 0.276 80 L C 0.959 177.683 176.870 -0.243 0.000 1.213 80 L CA -0.258 54.319 54.840 -0.439 0.000 0.843 80 L CB 0.003 41.800 42.059 -0.437 0.000 1.107 80 L HN 0.504 nan 8.230 nan 0.000 0.487 81 N N 4.661 123.202 118.700 -0.265 0.000 2.440 81 N HA 0.011 4.750 4.740 -0.001 0.000 0.265 81 N C -1.576 173.852 175.510 -0.138 0.000 1.239 81 N CA -1.292 51.663 53.050 -0.160 0.000 0.909 81 N CB 1.052 39.444 38.487 -0.157 0.000 1.066 81 N HN 0.320 nan 8.380 nan 0.000 0.474 82 P HA -0.058 nan 4.420 nan 0.000 0.230 82 P C 0.298 177.552 177.300 -0.077 0.000 1.158 82 P CA 0.787 63.841 63.100 -0.077 0.000 0.769 82 P CB 0.494 32.163 31.700 -0.052 0.000 0.807 83 E N -0.536 119.616 120.200 -0.081 0.000 2.511 83 E HA -0.023 4.326 4.350 -0.001 0.000 0.196 83 E C 1.718 178.257 176.600 -0.102 0.000 1.066 83 E CA -0.007 56.347 56.400 -0.077 0.000 0.871 83 E CB -0.478 29.187 29.700 -0.059 0.000 0.863 83 E HN 0.230 nan 8.360 nan 0.000 0.520 84 L N 1.495 122.643 121.223 -0.126 0.000 1.976 84 L HA -0.169 4.170 4.340 -0.001 0.000 0.209 84 L C 1.900 178.655 176.870 -0.191 0.000 1.071 84 L CA 1.930 56.677 54.840 -0.154 0.000 0.746 84 L CB -0.284 41.668 42.059 -0.179 0.000 0.890 84 L HN -0.013 nan 8.230 nan 0.000 0.432 85 E N -0.441 119.656 120.200 -0.172 0.000 2.072 85 E HA -0.168 4.181 4.350 -0.001 0.000 0.191 85 E C -0.304 176.158 176.600 -0.231 0.000 0.985 85 E CA 1.353 57.611 56.400 -0.237 0.000 0.801 85 E CB -1.064 28.616 29.700 -0.033 0.000 0.750 85 E HN 0.488 nan 8.360 nan 0.000 0.452 86 P HA -0.139 nan 4.420 nan 0.000 0.216 86 P C 1.260 178.458 177.300 -0.170 0.000 1.150 86 P CA 1.524 64.550 63.100 -0.122 0.000 0.837 86 P CB -0.040 31.611 31.700 -0.083 0.000 0.786 87 T N -0.505 113.945 114.554 -0.173 0.000 2.777 87 T HA -0.062 4.287 4.350 -0.001 0.000 0.266 87 T C 1.773 176.280 174.700 -0.322 0.000 1.040 87 T CA 0.951 62.936 62.100 -0.191 0.000 1.141 87 T CB -0.924 67.895 68.868 -0.080 0.000 0.868 87 T HN 0.050 nan 8.240 nan 0.000 0.444 88 L N 0.491 121.502 121.223 -0.354 0.000 2.042 88 L HA -0.146 4.194 4.340 -0.001 0.000 0.210 88 L C 2.940 179.572 176.870 -0.395 0.000 1.076 88 L CA 1.505 56.075 54.840 -0.450 0.000 0.749 88 L CB -0.477 41.121 42.059 -0.768 0.000 0.893 88 L HN 0.176 nan 8.230 nan 0.000 0.432 89 R N -0.538 119.760 120.500 -0.337 0.000 2.081 89 R HA -0.121 4.218 4.340 -0.001 0.000 0.235 89 R C 2.461 178.636 176.300 -0.208 0.000 1.131 89 R CA 1.161 57.173 56.100 -0.147 0.000 0.960 89 R CB -0.269 29.995 30.300 -0.059 0.000 0.856 89 R HN 0.342 nan 8.270 nan 0.000 0.436 90 R N 0.289 120.612 120.500 -0.295 0.000 2.073 90 R HA -0.069 4.270 4.340 -0.001 0.000 0.234 90 R C 2.379 178.342 176.300 -0.563 0.000 1.134 90 R CA 1.348 57.226 56.100 -0.370 0.000 0.952 90 R CB -0.368 29.706 30.300 -0.377 0.000 0.850 90 R HN 0.201 nan 8.270 nan 0.000 0.433 91 A N 1.130 123.446 122.820 -0.839 0.000 1.865 91 A HA -0.259 4.061 4.320 -0.001 0.000 0.217 91 A C 2.033 179.422 177.584 -0.325 0.000 1.191 91 A CA 1.758 53.269 52.037 -0.876 0.000 0.623 91 A CB -0.536 18.045 19.000 -0.697 0.000 0.826 91 A HN 0.422 nan 8.150 nan 0.000 0.444 92 E N -0.374 119.685 120.200 -0.234 0.000 2.077 92 E HA -0.112 4.237 4.350 -0.001 0.000 0.193 92 E C 2.092 178.636 176.600 -0.093 0.000 0.989 92 E CA 1.056 57.385 56.400 -0.119 0.000 0.800 92 E CB -0.265 29.394 29.700 -0.068 0.000 0.746 92 E HN 0.548 nan 8.360 nan 0.000 0.452 93 A N 0.052 122.802 122.820 -0.116 0.000 1.972 93 A HA -0.164 4.155 4.320 -0.001 0.000 0.219 93 A C 2.235 179.788 177.584 -0.052 0.000 1.169 93 A CA 1.231 53.219 52.037 -0.081 0.000 0.635 93 A CB -0.572 18.373 19.000 -0.093 0.000 0.810 93 A HN 0.500 nan 8.150 nan 0.000 0.446 94 C N -1.362 117.905 119.300 -0.055 0.000 2.539 94 C HA 0.413 4.872 4.460 -0.001 0.000 0.271 94 C C 1.974 177.011 174.990 0.079 0.000 1.412 94 C CA 0.421 59.465 59.018 0.043 0.000 1.729 94 C CB -1.119 26.712 27.740 0.152 0.000 1.739 94 C HN 1.060 nan 8.230 nan 0.000 0.570 95 G N -0.028 108.792 108.800 0.034 0.000 2.144 95 G HA2 0.011 3.971 3.960 -0.001 0.000 0.218 95 G HA3 0.011 3.971 3.960 -0.001 0.000 0.218 95 G C 0.076 175.010 174.900 0.058 0.000 0.988 95 G CA 0.086 45.212 45.100 0.044 0.000 0.659 95 G HN 0.847 nan 8.290 nan 0.000 0.522 96 A N -0.080 122.780 122.820 0.067 0.000 2.351 96 A HA 0.738 5.058 4.320 -0.001 0.000 0.257 96 A C 1.552 179.120 177.584 -0.026 0.000 1.087 96 A CA 1.051 53.155 52.037 0.113 0.000 0.798 96 A CB 0.907 20.023 19.000 0.195 0.000 1.033 96 A HN 1.414 nan 8.150 nan 0.000 0.488 97 G N 0.278 109.013 108.800 -0.109 0.000 2.719 97 G HA2 0.259 4.219 3.960 -0.001 0.000 0.211 97 G HA3 0.259 4.219 3.960 -0.001 0.000 0.211 97 G C 0.175 174.611 174.900 -0.773 0.000 1.140 97 G CA -0.143 44.571 45.100 -0.644 0.000 0.790 97 G HN 0.630 nan 8.290 nan 0.000 0.529 98 W N -0.460 120.831 121.300 -0.016 0.000 2.915 98 W HA 0.598 5.258 4.660 -0.001 0.000 0.337 98 W C -1.487 175.046 176.519 0.024 0.000 1.102 98 W CA -1.197 56.134 57.345 -0.024 0.000 1.224 98 W CB 1.789 31.188 29.460 -0.100 0.000 1.416 98 W HN -0.165 nan 8.180 nan 0.000 0.503 99 L N 3.114 124.474 121.223 0.229 0.000 2.296 99 L HA 0.471 4.811 4.340 -0.001 0.000 0.286 99 L C -0.286 176.691 176.870 0.179 0.000 1.023 99 L CA -0.433 54.528 54.840 0.201 0.000 0.812 99 L CB 1.147 43.255 42.059 0.082 0.000 1.223 99 L HN 0.352 nan 8.230 nan 0.000 0.421 100 K N 5.160 125.661 120.400 0.169 0.000 2.235 100 K HA 0.730 5.049 4.320 -0.001 0.000 0.266 100 K C -1.087 175.547 176.600 0.056 0.000 0.980 100 K CA -0.656 55.690 56.287 0.097 0.000 0.849 100 K CB 1.230 33.768 32.500 0.065 0.000 1.098 100 K HN 0.596 nan 8.250 nan 0.000 0.445 101 V N -0.529 119.398 119.914 0.021 0.000 3.167 101 V HA 0.630 4.750 4.120 -0.001 0.000 0.310 101 V C -0.616 175.441 176.094 -0.063 0.000 1.207 101 V CA -0.905 61.382 62.300 -0.022 0.000 1.059 101 V CB 1.791 33.594 31.823 -0.034 0.000 1.079 101 V HN 0.687 nan 8.190 nan 0.000 0.446 102 S N 0.142 115.786 115.700 -0.094 0.000 2.690 102 S HA 0.581 5.050 4.470 -0.001 0.000 0.291 102 S C 0.517 175.029 174.600 -0.147 0.000 1.138 102 S CA -0.157 57.968 58.200 -0.125 0.000 1.013 102 S CB 1.524 64.648 63.200 -0.127 0.000 1.053 102 S HN 0.989 nan 8.310 nan 0.000 0.539 103 L N 2.312 123.428 121.223 -0.179 0.000 2.095 103 L HA 0.272 4.611 4.340 -0.001 0.000 0.204 103 L C 1.147 177.965 176.870 -0.087 0.000 1.080 103 L CA 2.250 56.949 54.840 -0.235 0.000 0.759 103 L CB -1.278 40.588 42.059 -0.322 0.000 0.914 103 L HN 1.037 nan 8.230 nan 0.000 0.439 104 G N -0.527 108.232 108.800 -0.069 0.000 2.593 104 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.237 104 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.237 104 G C -0.742 174.154 174.900 -0.007 0.000 1.312 104 G CA -0.083 45.011 45.100 -0.009 0.000 0.896 104 G HN 0.426 nan 8.290 nan 0.000 0.574 105 L N 0.202 121.444 121.223 0.031 0.000 2.270 105 L HA 0.696 5.035 4.340 -0.001 0.000 0.286 105 L C 0.345 177.172 176.870 -0.072 0.000 1.059 105 L CA -0.655 54.174 54.840 -0.018 0.000 0.839 105 L CB 0.793 42.850 42.059 -0.003 0.000 1.221 105 L HN 0.816 nan 8.230 nan 0.000 0.431 106 L N 9.204 130.316 121.223 -0.186 0.000 2.477 106 L HA 0.422 4.761 4.340 -0.001 0.000 0.272 106 L C -1.993 174.663 176.870 -0.358 0.000 1.157 106 L CA -0.812 53.776 54.840 -0.421 0.000 0.889 106 L CB -0.050 41.786 42.059 -0.370 0.000 1.158 106 L HN 0.507 nan 8.230 nan 0.000 0.473 107 P HA 0.135 nan 4.420 nan 0.000 0.277 107 P C 0.036 177.206 177.300 -0.218 0.000 1.271 107 P CA -0.387 62.554 63.100 -0.264 0.000 0.795 107 P CB 0.454 32.019 31.700 -0.224 0.000 1.101 108 E N 0.400 120.522 120.200 -0.130 0.000 2.085 108 E HA -0.188 4.161 4.350 -0.001 0.000 0.194 108 E C 0.031 176.570 176.600 -0.102 0.000 0.994 108 E CA 1.476 57.817 56.400 -0.098 0.000 0.801 108 E CB -0.498 29.166 29.700 -0.059 0.000 0.743 108 E HN 0.416 nan 8.360 nan 0.000 0.453 109 Q N 1.596 121.337 119.800 -0.098 0.000 2.700 109 Q HA 0.360 4.699 4.340 -0.001 0.000 0.249 109 Q C -2.315 173.634 176.000 -0.086 0.000 1.033 109 Q CA -1.843 53.915 55.803 -0.074 0.000 0.804 109 Q CB 1.557 30.276 28.738 -0.033 0.000 1.164 109 Q HN 0.226 nan 8.270 nan 0.000 0.500 110 P HA 0.088 nan 4.420 nan 0.000 0.275 110 P C -0.215 177.137 177.300 0.085 0.000 1.227 110 P CA -0.266 62.727 63.100 -0.178 0.000 0.781 110 P CB 1.092 32.470 31.700 -0.537 0.000 0.906 111 D N 2.738 123.300 120.400 0.271 0.000 2.508 111 D HA 0.089 4.728 4.640 -0.001 0.000 0.224 111 D C 1.135 177.605 176.300 0.284 0.000 1.171 111 D CA -0.043 54.093 54.000 0.226 0.000 1.006 111 D CB -0.258 40.655 40.800 0.188 0.000 1.073 111 D HN 0.253 nan 8.370 nan 0.000 0.513 112 L N 1.679 123.038 121.223 0.225 0.000 2.217 112 L HA -0.053 4.287 4.340 -0.001 0.000 0.211 112 L C 2.411 179.360 176.870 0.131 0.000 1.107 112 L CA 0.689 55.660 54.840 0.219 0.000 0.783 112 L CB -0.130 42.012 42.059 0.138 0.000 0.919 112 L HN 0.307 nan 8.230 nan 0.000 0.442 113 A N 0.272 123.149 122.820 0.095 0.000 1.902 113 A HA -0.148 4.171 4.320 -0.001 0.000 0.217 113 A C 2.543 180.162 177.584 0.059 0.000 1.181 113 A CA 1.677 53.752 52.037 0.063 0.000 0.623 113 A CB -0.593 18.435 19.000 0.047 0.000 0.818 113 A HN 0.372 nan 8.150 nan 0.000 0.443 114 A N -0.503 122.358 122.820 0.069 0.000 1.898 114 A HA 0.013 4.332 4.320 -0.001 0.000 0.216 114 A C 2.111 179.713 177.584 0.030 0.000 1.181 114 A CA 1.643 53.707 52.037 0.045 0.000 0.620 114 A CB -0.625 18.404 19.000 0.048 0.000 0.819 114 A HN 0.681 nan 8.150 nan 0.000 0.442 115 L N 0.377 121.630 121.223 0.050 0.000 1.989 115 L HA -0.093 4.246 4.340 -0.001 0.000 0.211 115 L C 2.405 179.293 176.870 0.030 0.000 1.071 115 L CA 2.559 57.407 54.840 0.013 0.000 0.749 115 L CB -1.231 40.861 42.059 0.055 0.000 0.890 115 L HN 0.305 nan 8.230 nan 0.000 0.431 116 G N -0.912 107.919 108.800 0.052 0.000 2.469 116 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.219 116 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.219 116 G C 1.784 176.701 174.900 0.030 0.000 1.150 116 G CA 0.926 46.052 45.100 0.043 0.000 0.763 116 G HN 0.422 nan 8.290 nan 0.000 0.561 117 R N -0.160 120.355 120.500 0.024 0.000 2.096 117 R HA 0.007 4.346 4.340 -0.001 0.000 0.235 117 R C 2.868 179.178 176.300 0.016 0.000 1.127 117 R CA 1.156 57.264 56.100 0.014 0.000 0.968 117 R CB -0.218 30.088 30.300 0.010 0.000 0.861 117 R HN 0.316 nan 8.270 nan 0.000 0.440 118 R N 0.367 120.881 120.500 0.024 0.000 2.073 118 R HA -0.033 4.306 4.340 -0.001 0.000 0.229 118 R C 2.369 178.738 176.300 0.115 0.000 1.120 118 R CA 1.037 57.168 56.100 0.052 0.000 0.967 118 R CB -0.330 29.976 30.300 0.010 0.000 0.862 118 R HN 0.191 nan 8.270 nan 0.000 0.436 119 L N 0.355 121.621 121.223 0.072 0.000 2.131 119 L HA -0.132 4.208 4.340 -0.001 0.000 0.210 119 L C 2.551 179.470 176.870 0.081 0.000 1.092 119 L CA 1.111 56.004 54.840 0.088 0.000 0.759 119 L CB -0.558 41.532 42.059 0.052 0.000 0.903 119 L HN 0.248 nan 8.230 nan 0.000 0.435 120 A N -0.012 122.829 122.820 0.036 0.000 2.121 120 A HA -0.129 4.190 4.320 -0.001 0.000 0.218 120 A C 2.213 179.765 177.584 -0.054 0.000 1.154 120 A CA 0.942 52.977 52.037 -0.004 0.000 0.679 120 A CB -0.395 18.600 19.000 -0.008 0.000 0.795 120 A HN 0.334 nan 8.150 nan 0.000 0.458 121 R N -0.993 119.452 120.500 -0.092 0.000 2.313 121 R HA 0.141 4.480 4.340 -0.001 0.000 0.199 121 R C -0.454 175.439 176.300 -0.678 0.000 0.958 121 R CA 0.294 56.199 56.100 -0.325 0.000 1.047 121 R CB -0.043 30.048 30.300 -0.348 0.000 0.955 121 R HN 0.687 nan 8.270 nan 0.000 0.481 122 H N -3.381 115.656 119.070 -0.054 0.000 2.949 122 H HA 0.367 4.922 4.556 -0.001 0.000 0.356 122 H C 0.556 175.841 175.328 -0.072 0.000 1.212 122 H CA -0.794 55.214 56.048 -0.067 0.000 1.136 122 H CB 1.528 31.245 29.762 -0.075 0.000 1.869 122 H HN -0.014 nan 8.280 nan 0.000 0.556 123 G N 0.568 109.386 108.800 0.029 0.000 3.609 123 G HA2 0.312 4.272 3.960 -0.001 0.000 0.280 123 G HA3 0.312 4.272 3.960 -0.001 0.000 0.280 123 G C -0.480 174.371 174.900 -0.083 0.000 1.155 123 G CA -0.100 44.975 45.100 -0.042 0.000 0.876 123 G HN 0.222 nan 8.290 nan 0.000 0.535 124 L N -0.298 120.888 121.223 -0.062 0.000 2.333 124 L HA 0.489 4.829 4.340 -0.001 0.000 0.269 124 L C 0.027 176.839 176.870 -0.096 0.000 1.010 124 L CA -0.980 53.783 54.840 -0.128 0.000 0.818 124 L CB 2.246 44.251 42.059 -0.090 0.000 1.306 124 L HN 0.047 nan 8.230 nan 0.000 0.430 125 Q N 1.543 121.246 119.800 -0.161 0.000 2.288 125 Q HA 0.334 4.674 4.340 -0.001 0.000 0.254 125 Q C -1.121 174.942 176.000 0.104 0.000 0.932 125 Q CA -0.727 55.067 55.803 -0.015 0.000 0.902 125 Q CB 1.631 30.380 28.738 0.019 0.000 1.203 125 Q HN 0.423 nan 8.270 nan 0.000 0.415 126 L N 4.966 126.268 121.223 0.130 0.000 2.305 126 L HA 0.394 4.733 4.340 -0.001 0.000 0.281 126 L C -1.371 175.633 176.870 0.225 0.000 1.085 126 L CA 0.103 55.035 54.840 0.154 0.000 0.813 126 L CB 0.856 42.990 42.059 0.125 0.000 1.157 126 L HN 0.629 nan 8.230 nan 0.000 0.436 127 L N 5.797 127.149 121.223 0.215 0.000 2.341 127 L HA 0.596 4.936 4.340 -0.001 0.000 0.278 127 L C -0.927 176.062 176.870 0.200 0.000 1.005 127 L CA -0.897 54.075 54.840 0.220 0.000 0.818 127 L CB 1.944 44.097 42.059 0.156 0.000 1.259 127 L HN 0.272 nan 8.230 nan 0.000 0.418 128 V N 2.522 122.617 119.914 0.301 0.000 2.409 128 V HA 0.319 4.439 4.120 -0.001 0.000 0.291 128 V C -0.132 176.103 176.094 0.234 0.000 1.020 128 V CA -0.580 61.861 62.300 0.235 0.000 0.848 128 V CB 1.801 33.778 31.823 0.257 0.000 0.990 128 V HN 0.738 nan 8.190 nan 0.000 0.430 129 E N 4.621 124.839 120.200 0.030 0.000 2.204 129 E HA 0.311 4.660 4.350 -0.001 0.000 0.276 129 E C -0.262 176.242 176.600 -0.161 0.000 0.974 129 E CA -0.825 55.518 56.400 -0.094 0.000 0.815 129 E CB 1.061 30.628 29.700 -0.222 0.000 1.119 129 E HN 0.831 nan 8.360 nan 0.000 0.393 130 N N 3.671 122.193 118.700 -0.297 0.000 2.483 130 N HA -0.033 4.706 4.740 -0.001 0.000 0.264 130 N C -0.525 174.683 175.510 -0.504 0.000 1.197 130 N CA -0.066 52.686 53.050 -0.498 0.000 0.927 130 N CB 0.935 38.729 38.487 -1.156 0.000 1.065 130 N HN 0.495 nan 8.380 nan 0.000 0.461 131 D N 1.038 121.210 120.400 -0.380 0.000 2.589 131 D HA 0.093 4.732 4.640 -0.001 0.000 0.268 131 D C 0.153 176.255 176.300 -0.330 0.000 1.182 131 D CA -0.334 53.462 54.000 -0.340 0.000 1.087 131 D CB 0.269 40.919 40.800 -0.249 0.000 1.186 131 D HN 0.547 nan 8.370 nan 0.000 0.620 132 Q N -0.898 118.715 119.800 -0.310 0.000 2.220 132 Q HA 0.198 4.537 4.340 -0.001 0.000 0.205 132 Q C -0.079 175.867 176.000 -0.090 0.000 0.865 132 Q CA -0.153 55.501 55.803 -0.249 0.000 0.960 132 Q CB 0.451 28.826 28.738 -0.605 0.000 1.097 132 Q HN 0.627 nan 8.270 nan 0.000 0.493 133 T N -3.725 110.772 114.554 -0.095 0.000 2.952 133 T HA 0.326 4.676 4.350 -0.001 0.000 0.286 133 T C -2.244 172.449 174.700 -0.012 0.000 1.024 133 T CA -2.265 59.809 62.100 -0.043 0.000 1.029 133 T CB 1.715 70.546 68.868 -0.063 0.000 1.094 133 T HN -0.271 nan 8.240 nan 0.000 0.515 134 P HA -0.132 nan 4.420 nan 0.000 0.217 134 P C 1.887 179.191 177.300 0.006 0.000 1.150 134 P CA 1.010 64.123 63.100 0.021 0.000 0.832 134 P CB 0.026 31.739 31.700 0.022 0.000 0.787 135 Q N -0.419 119.372 119.800 -0.015 0.000 2.123 135 Q HA -0.009 4.331 4.340 -0.001 0.000 0.199 135 Q C 1.778 177.749 176.000 -0.047 0.000 0.966 135 Q CA 2.345 58.131 55.803 -0.029 0.000 0.845 135 Q CB -1.442 27.276 28.738 -0.033 0.000 0.907 135 Q HN 0.241 nan 8.270 nan 0.000 0.439 136 G N -0.323 108.438 108.800 -0.064 0.000 3.324 136 G HA2 0.353 4.312 3.960 -0.001 0.000 0.251 136 G HA3 0.353 4.312 3.960 -0.001 0.000 0.251 136 G C 0.795 175.626 174.900 -0.114 0.000 1.072 136 G CA 0.239 45.281 45.100 -0.098 0.000 0.787 136 G HN 0.496 nan 8.290 nan 0.000 0.537 137 G N 0.008 108.763 108.800 -0.075 0.000 3.528 137 G HA2 0.301 4.260 3.960 -0.001 0.000 0.266 137 G HA3 0.301 4.260 3.960 -0.001 0.000 0.266 137 G C 0.449 175.395 174.900 0.077 0.000 1.004 137 G CA -0.498 44.531 45.100 -0.118 0.000 0.853 137 G HN 0.224 nan 8.290 nan 0.000 0.501 138 R N -0.139 120.459 120.500 0.164 0.000 2.664 138 R HA 0.513 4.852 4.340 -0.001 0.000 0.286 138 R C 0.824 177.330 176.300 0.342 0.000 0.967 138 R CA -0.808 55.453 56.100 0.270 0.000 0.933 138 R CB 1.983 32.374 30.300 0.151 0.000 1.146 138 R HN -0.003 nan 8.270 nan 0.000 0.468 139 I N 1.220 121.989 120.570 0.332 0.000 2.163 139 I HA -0.315 3.854 4.170 -0.001 0.000 0.243 139 I C 2.467 178.703 176.117 0.198 0.000 1.085 139 I CA 1.543 62.989 61.300 0.244 0.000 1.347 139 I CB -0.159 37.864 38.000 0.039 0.000 1.044 139 I HN 0.752 nan 8.210 nan 0.000 0.408 140 E N 0.670 120.953 120.200 0.139 0.000 2.051 140 E HA -0.243 4.106 4.350 -0.001 0.000 0.192 140 E C 2.342 179.005 176.600 0.104 0.000 0.991 140 E CA 1.621 58.084 56.400 0.105 0.000 0.799 140 E CB 0.019 29.762 29.700 0.072 0.000 0.748 140 E HN 0.285 nan 8.360 nan 0.000 0.449 141 V N 0.715 120.685 119.914 0.093 0.000 2.427 141 V HA -0.191 3.928 4.120 -0.001 0.000 0.248 141 V C 2.221 178.367 176.094 0.088 0.000 1.051 141 V CA 1.409 63.742 62.300 0.055 0.000 1.048 141 V CB -0.216 31.614 31.823 0.011 0.000 0.666 141 V HN 0.319 nan 8.190 nan 0.000 0.456 142 L N 0.026 121.348 121.223 0.165 0.000 2.083 142 L HA -0.127 4.212 4.340 -0.001 0.000 0.209 142 L C 2.757 179.827 176.870 0.333 0.000 1.083 142 L CA 1.940 56.933 54.840 0.256 0.000 0.752 142 L CB -0.687 41.629 42.059 0.429 0.000 0.899 142 L HN 0.398 nan 8.230 nan 0.000 0.433 143 E N 0.710 121.082 120.200 0.286 0.000 2.077 143 E HA -0.263 4.087 4.350 -0.001 0.000 0.193 143 E C 2.275 178.953 176.600 0.131 0.000 0.989 143 E CA 1.306 57.857 56.400 0.252 0.000 0.800 143 E CB -0.005 29.823 29.700 0.212 0.000 0.746 143 E HN 0.345 nan 8.360 nan 0.000 0.452 144 R N -0.635 119.918 120.500 0.089 0.000 2.073 144 R HA -0.158 4.181 4.340 -0.001 0.000 0.234 144 R C 2.495 178.776 176.300 -0.031 0.000 1.134 144 R CA 1.519 57.635 56.100 0.026 0.000 0.952 144 R CB -0.538 29.769 30.300 0.011 0.000 0.850 144 R HN 0.184 nan 8.270 nan 0.000 0.433 145 F N 0.660 120.488 119.950 -0.203 0.000 2.069 145 F HA -0.210 4.317 4.527 -0.001 0.000 0.298 145 F C 1.665 177.235 175.800 -0.383 0.000 1.113 145 F CA 1.596 59.387 58.000 -0.349 0.000 1.214 145 F CB -0.627 38.070 39.000 -0.506 0.000 0.978 145 F HN -0.061 nan 8.300 nan 0.000 0.474 146 F N 0.381 120.057 119.950 -0.457 0.000 2.234 146 F HA -0.026 4.501 4.527 -0.001 0.000 0.299 146 F C 2.679 178.030 175.800 -0.748 0.000 1.087 146 F CA 1.440 58.929 58.000 -0.851 0.000 1.340 146 F CB -0.933 37.338 39.000 -1.215 0.000 1.031 146 F HN -0.098 nan 8.300 nan 0.000 0.500 147 R N 0.648 120.981 120.500 -0.277 0.000 2.073 147 R HA -0.152 4.187 4.340 -0.001 0.000 0.234 147 R C 2.119 178.375 176.300 -0.073 0.000 1.134 147 R CA 1.479 57.559 56.100 -0.033 0.000 0.952 147 R CB -0.482 29.848 30.300 0.050 0.000 0.850 147 R HN 0.296 nan 8.270 nan 0.000 0.433 148 L N -0.134 120.998 121.223 -0.152 0.000 2.093 148 L HA -0.079 4.261 4.340 -0.001 0.000 0.208 148 L C 2.681 179.450 176.870 -0.169 0.000 1.085 148 L CA 1.103 55.862 54.840 -0.134 0.000 0.755 148 L CB -0.522 41.458 42.059 -0.131 0.000 0.904 148 L HN 0.305 nan 8.230 nan 0.000 0.435 149 A N -0.332 122.283 122.820 -0.341 0.000 1.902 149 A HA -0.235 4.084 4.320 -0.001 0.000 0.217 149 A C 2.343 179.866 177.584 -0.102 0.000 1.181 149 A CA 1.717 53.576 52.037 -0.297 0.000 0.623 149 A CB -0.461 18.193 19.000 -0.576 0.000 0.818 149 A HN 0.399 nan 8.150 nan 0.000 0.443 150 E N 0.079 120.250 120.200 -0.048 0.000 2.106 150 E HA -0.196 4.154 4.350 -0.001 0.000 0.192 150 E C 2.211 178.837 176.600 0.044 0.000 0.984 150 E CA 0.966 57.404 56.400 0.063 0.000 0.806 150 E CB -0.285 29.528 29.700 0.189 0.000 0.750 150 E HN 0.606 nan 8.360 nan 0.000 0.458 151 R N 0.427 120.939 120.500 0.020 0.000 2.092 151 R HA -0.144 4.195 4.340 -0.001 0.000 0.231 151 R C 2.107 178.415 176.300 0.013 0.000 1.119 151 R CA 1.547 57.659 56.100 0.020 0.000 0.970 151 R CB -0.056 30.250 30.300 0.010 0.000 0.864 151 R HN 0.039 nan 8.270 nan 0.000 0.440 152 Q N 0.754 120.555 119.800 0.002 0.000 2.451 152 Q HA -0.037 4.302 4.340 -0.001 0.000 0.206 152 Q C -0.256 175.756 176.000 0.019 0.000 0.947 152 Q CA 0.660 56.469 55.803 0.010 0.000 0.937 152 Q CB 0.184 28.926 28.738 0.007 0.000 1.025 152 Q HN 0.265 nan 8.270 nan 0.000 0.511 153 Q N -0.089 119.725 119.800 0.024 0.000 2.468 153 Q HA -0.206 4.134 4.340 -0.001 0.000 0.289 153 Q C -0.940 175.082 176.000 0.037 0.000 1.299 153 Q CA 0.331 56.155 55.803 0.034 0.000 0.838 153 Q CB -2.214 26.543 28.738 0.032 0.000 1.195 153 Q HN 0.405 nan 8.270 nan 0.000 0.456 154 L N 0.295 121.539 121.223 0.034 0.000 2.439 154 L HA 0.148 4.488 4.340 -0.001 0.000 0.269 154 L C 0.924 177.833 176.870 0.065 0.000 1.179 154 L CA -0.205 54.663 54.840 0.046 0.000 0.828 154 L CB 0.320 42.404 42.059 0.042 0.000 1.106 154 L HN 0.038 nan 8.230 nan 0.000 0.467 155 D N 3.465 123.905 120.400 0.066 0.000 2.608 155 D HA 0.378 5.017 4.640 -0.001 0.000 0.224 155 D C -1.036 175.329 176.300 0.109 0.000 1.123 155 D CA -0.226 53.819 54.000 0.076 0.000 1.030 155 D CB -0.295 40.534 40.800 0.050 0.000 1.093 155 D HN 0.278 nan 8.370 nan 0.000 0.497 156 L N -0.145 121.165 121.223 0.144 0.000 2.465 156 L HA 0.998 5.337 4.340 -0.001 0.000 0.257 156 L C -1.312 175.708 176.870 0.249 0.000 0.988 156 L CA -1.227 53.736 54.840 0.206 0.000 0.827 156 L CB 1.441 43.635 42.059 0.224 0.000 1.397 156 L HN -0.004 nan 8.230 nan 0.000 0.410 160 F N 4.153 123.947 119.950 -0.259 0.000 2.375 160 F HA 0.395 4.922 4.527 -0.001 0.000 0.362 160 F C 0.297 176.000 175.800 -0.162 0.000 1.129 160 F CA -0.491 57.401 58.000 -0.180 0.000 1.154 160 F CB 0.420 39.183 39.000 -0.395 0.000 1.205 160 F HN 0.440 nan 8.300 nan 0.000 0.513 161 D N 7.111 127.270 120.400 -0.402 0.000 2.347 161 D HA 0.120 4.760 4.640 -0.001 0.000 0.235 161 D C 1.410 177.543 176.300 -0.279 0.000 1.149 161 D CA 0.004 53.824 54.000 -0.301 0.000 0.850 161 D CB 0.811 41.392 40.800 -0.366 0.000 1.061 161 D HN 0.656 nan 8.370 nan 0.000 0.487 162 I N 2.852 123.440 120.570 0.030 0.000 2.208 162 I HA -0.192 3.977 4.170 -0.001 0.000 0.245 162 I C 2.316 178.609 176.117 0.293 0.000 1.097 162 I CA 1.239 62.695 61.300 0.259 0.000 1.363 162 I CB 0.011 38.030 38.000 0.031 0.000 1.051 162 I HN 0.473 nan 8.210 nan 0.000 0.413 163 G N 0.234 109.136 108.800 0.170 0.000 2.430 163 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.216 163 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.216 163 G C 1.384 176.483 174.900 0.332 0.000 1.146 163 G CA 0.228 45.503 45.100 0.291 0.000 0.793 163 G HN 0.258 nan 8.290 nan 0.000 0.537 164 N N 0.560 119.274 118.700 0.022 0.000 2.223 164 N HA -0.100 4.639 4.740 -0.001 0.000 0.185 164 N C 1.750 177.287 175.510 0.045 0.000 1.016 164 N CA 0.713 53.725 53.050 -0.063 0.000 0.863 164 N CB -0.391 37.823 38.487 -0.455 0.000 0.983 164 N HN 0.637 nan 8.380 nan 0.000 0.429 165 W N 1.708 123.069 121.300 0.102 0.000 2.331 165 W HA -0.104 4.555 4.660 -0.001 0.000 0.291 165 W C 2.169 178.775 176.519 0.146 0.000 1.214 165 W CA 0.172 57.567 57.345 0.082 0.000 1.228 165 W CB -0.100 29.379 29.460 0.032 0.000 1.135 165 W HN 0.002 nan 8.180 nan 0.000 0.537 166 R N -0.243 120.486 120.500 0.382 0.000 2.091 166 R HA -0.192 4.147 4.340 -0.001 0.000 0.238 166 R C 1.896 178.253 176.300 0.094 0.000 1.136 166 R CA 1.468 57.666 56.100 0.163 0.000 0.959 166 R CB -1.401 28.890 30.300 -0.013 0.000 0.856 166 R HN 0.408 nan 8.270 nan 0.000 0.437 167 W N 0.870 122.195 121.300 0.040 0.000 2.392 167 W HA -0.128 4.531 4.660 -0.001 0.000 0.279 167 W C 1.218 177.754 176.519 0.029 0.000 1.225 167 W CA 0.565 57.920 57.345 0.017 0.000 1.233 167 W CB 0.002 29.450 29.460 -0.020 0.000 1.122 167 W HN 0.175 nan 8.180 nan 0.000 0.561 168 Q N -0.180 119.778 119.800 0.263 0.000 2.198 168 Q HA 0.023 4.362 4.340 -0.001 0.000 0.209 168 Q C 0.055 176.150 176.000 0.158 0.000 0.848 168 Q CA 0.356 56.272 55.803 0.189 0.000 0.974 168 Q CB 0.087 28.937 28.738 0.188 0.000 1.115 168 Q HN 0.385 nan 8.270 nan 0.000 0.494 169 E N 0.896 121.180 120.200 0.139 0.000 2.440 169 E HA -0.192 4.157 4.350 -0.001 0.000 0.246 169 E C -0.458 176.211 176.600 0.116 0.000 1.165 169 E CA 0.387 56.845 56.400 0.096 0.000 0.726 169 E CB -0.693 29.041 29.700 0.056 0.000 1.271 169 E HN 0.325 nan 8.360 nan 0.000 0.397 170 Q N -0.489 119.421 119.800 0.185 0.000 2.266 170 Q HA 0.636 4.976 4.340 -0.001 0.000 0.261 170 Q C -0.083 175.987 176.000 0.116 0.000 0.985 170 Q CA -0.273 55.626 55.803 0.160 0.000 0.873 170 Q CB 1.848 30.756 28.738 0.283 0.000 1.306 170 Q HN 0.263 nan 8.270 nan 0.000 0.447 171 A N 1.085 123.908 122.820 0.006 0.000 2.309 171 A HA 0.487 4.807 4.320 -0.001 0.000 0.290 171 A C 1.026 178.529 177.584 -0.135 0.000 1.206 171 A CA 0.261 52.296 52.037 -0.003 0.000 0.850 171 A CB 0.422 19.419 19.000 -0.004 0.000 1.118 171 A HN 0.867 nan 8.150 nan 0.000 0.523 172 A N 2.515 125.330 122.820 -0.008 0.000 1.940 172 A HA -0.153 4.166 4.320 -0.001 0.000 0.219 172 A C 1.461 179.038 177.584 -0.013 0.000 1.176 172 A CA 2.203 54.202 52.037 -0.064 0.000 0.631 172 A CB -0.558 18.664 19.000 0.371 0.000 0.814 172 A HN 0.781 nan 8.150 nan 0.000 0.446 173 D N -0.390 120.033 120.400 0.038 0.000 2.097 173 D HA -0.168 4.471 4.640 -0.001 0.000 0.195 173 D C 1.851 178.028 176.300 -0.204 0.000 0.989 173 D CA 1.476 55.429 54.000 -0.078 0.000 0.827 173 D CB -0.416 40.415 40.800 0.052 0.000 0.966 173 D HN 0.746 nan 8.370 nan 0.000 0.456 174 E N 0.541 120.654 120.200 -0.145 0.000 2.051 174 E HA -0.178 4.171 4.350 -0.001 0.000 0.192 174 E C 2.026 178.503 176.600 -0.206 0.000 0.991 174 E CA 1.072 57.382 56.400 -0.151 0.000 0.799 174 E CB -0.089 29.546 29.700 -0.108 0.000 0.748 174 E HN 0.207 nan 8.360 nan 0.000 0.449 175 A N 1.241 123.853 122.820 -0.347 0.000 1.908 175 A HA -0.132 4.187 4.320 -0.001 0.000 0.218 175 A C 2.399 179.984 177.584 0.002 0.000 1.181 175 A CA 1.947 53.734 52.037 -0.417 0.000 0.627 175 A CB -0.797 17.314 19.000 -1.481 0.000 0.818 175 A HN 0.435 nan 8.150 nan 0.000 0.445 176 A N -0.781 122.011 122.820 -0.047 0.000 1.930 176 A HA 0.017 4.336 4.320 -0.001 0.000 0.217 176 A C 2.090 179.476 177.584 -0.330 0.000 1.175 176 A CA 1.632 53.515 52.037 -0.256 0.000 0.627 176 A CB -0.567 17.972 19.000 -0.770 0.000 0.815 176 A HN 0.552 nan 8.150 nan 0.000 0.443 177 L N -0.125 120.844 121.223 -0.423 0.000 2.012 177 L HA -0.140 4.199 4.340 -0.001 0.000 0.210 177 L C 2.447 179.305 176.870 -0.019 0.000 1.073 177 L CA 2.066 56.808 54.840 -0.164 0.000 0.748 177 L CB -0.521 41.467 42.059 -0.119 0.000 0.891 177 L HN 0.362 nan 8.230 nan 0.000 0.431 178 R N -1.585 118.914 120.500 -0.000 0.000 2.161 178 R HA 0.110 4.449 4.340 -0.001 0.000 0.213 178 R C 1.738 178.138 176.300 0.166 0.000 1.055 178 R CA 0.866 57.011 56.100 0.074 0.000 0.996 178 R CB 0.014 30.357 30.300 0.072 0.000 0.901 178 R HN 0.348 nan 8.270 nan 0.000 0.456 179 L N -1.473 119.872 121.223 0.203 0.000 2.731 179 L HA 0.284 4.623 4.340 -0.001 0.000 0.240 179 L C 2.048 179.059 176.870 0.234 0.000 1.120 179 L CA -0.038 55.008 54.840 0.344 0.000 0.913 179 L CB 0.370 42.689 42.059 0.433 0.000 1.213 179 L HN 0.193 nan 8.230 nan 0.000 0.515 180 G N 1.889 110.799 108.800 0.183 0.000 2.475 180 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.220 180 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.220 180 G C 1.656 176.615 174.900 0.099 0.000 1.125 180 G CA 1.024 46.293 45.100 0.281 0.000 0.755 180 G HN 0.519 nan 8.290 nan 0.000 0.565 181 R N -0.994 119.423 120.500 -0.138 0.000 2.193 181 R HA -0.032 4.307 4.340 -0.001 0.000 0.229 181 R C 1.572 177.684 176.300 -0.313 0.000 1.110 181 R CA 1.270 57.202 56.100 -0.281 0.000 0.988 181 R CB -0.521 29.520 30.300 -0.432 0.000 0.871 181 R HN 0.427 nan 8.270 nan 0.000 0.458 182 Y N 0.747 121.014 120.300 -0.056 0.000 2.482 182 Y HA 0.252 4.801 4.550 -0.001 0.000 0.270 182 Y C 0.602 176.373 175.900 -0.215 0.000 1.152 182 Y CA -0.681 57.316 58.100 -0.172 0.000 1.292 182 Y CB 0.566 38.778 38.460 -0.415 0.000 1.070 182 Y HN -0.191 nan 8.280 nan 0.000 0.528 183 V N 0.728 120.607 119.914 -0.059 0.000 2.455 183 V HA 0.291 4.410 4.120 -0.001 0.000 0.273 183 V C 1.150 177.189 176.094 -0.091 0.000 1.045 183 V CA 0.582 62.780 62.300 -0.170 0.000 0.976 183 V CB 0.856 32.365 31.823 -0.522 0.000 0.993 183 V HN 0.466 nan 8.190 nan 0.000 0.475 184 G N 3.698 112.473 108.800 -0.040 0.000 3.228 184 G HA2 0.196 4.155 3.960 -0.001 0.000 0.245 184 G HA3 0.196 4.155 3.960 -0.001 0.000 0.245 184 G C -0.330 174.599 174.900 0.048 0.000 1.051 184 G CA 0.157 45.270 45.100 0.021 0.000 0.809 184 G HN 0.543 nan 8.290 nan 0.000 0.531 185 Y N -0.048 120.144 120.300 -0.180 0.000 2.480 185 Y HA 0.529 5.078 4.550 -0.001 0.000 0.329 185 Y C -1.682 174.114 175.900 -0.173 0.000 1.127 185 Y CA -1.539 56.446 58.100 -0.191 0.000 1.037 185 Y CB 1.696 40.017 38.460 -0.231 0.000 1.320 185 Y HN -0.086 nan 8.280 nan 0.000 0.446 186 V N 5.688 125.362 119.914 -0.401 0.000 2.448 186 V HA 0.360 4.479 4.120 -0.001 0.000 0.295 186 V C -0.595 175.254 176.094 -0.408 0.000 1.025 186 V CA -0.695 61.404 62.300 -0.335 0.000 0.859 186 V CB 1.621 33.320 31.823 -0.207 0.000 0.988 186 V HN 0.809 nan 8.190 nan 0.000 0.431 187 H N 2.843 121.645 119.070 -0.448 0.000 2.594 187 H HA 0.302 4.857 4.556 -0.001 0.000 0.304 187 H C -0.809 174.318 175.328 -0.336 0.000 1.068 187 H CA -0.561 55.241 56.048 -0.410 0.000 1.308 187 H CB 1.102 30.662 29.762 -0.336 0.000 1.409 187 H HN 0.634 nan 8.280 nan 0.000 0.460 188 C N 5.322 124.411 119.300 -0.351 0.000 2.285 188 C HA 0.355 4.814 4.460 -0.001 0.000 0.335 188 C C -0.128 174.733 174.990 -0.215 0.000 1.267 188 C CA -0.527 58.145 59.018 -0.576 0.000 1.762 188 C CB -0.729 26.694 27.740 -0.528 0.000 2.365 188 C HN 0.822 nan 8.230 nan 0.000 0.527 189 K N 2.041 122.340 120.400 -0.169 0.000 2.578 189 K HA 0.772 5.091 4.320 -0.001 0.000 0.269 189 K C -1.286 175.608 176.600 0.490 0.000 0.941 189 K CA -0.503 55.972 56.287 0.313 0.000 0.847 189 K CB 1.195 33.840 32.500 0.241 0.000 1.397 189 K HN 0.546 nan 8.250 nan 0.000 0.422 190 A N 1.658 124.779 122.820 0.502 0.000 2.279 190 A HA 0.724 5.043 4.320 -0.001 0.000 0.303 190 A C -0.748 176.983 177.584 0.245 0.000 1.108 190 A CA -0.743 51.536 52.037 0.402 0.000 0.830 190 A CB 1.190 20.296 19.000 0.177 0.000 1.106 190 A HN 0.411 nan 8.150 nan 0.000 0.493 191 V N 2.197 122.225 119.914 0.189 0.000 2.577 191 V HA 0.508 4.627 4.120 -0.001 0.000 0.303 191 V C -0.416 175.683 176.094 0.008 0.000 1.042 191 V CA -0.226 62.132 62.300 0.096 0.000 0.872 191 V CB 1.310 33.171 31.823 0.063 0.000 0.998 191 V HN 0.893 nan 8.190 nan 0.000 0.423 192 I N 1.274 121.827 120.570 -0.028 0.000 2.846 192 I HA 0.725 4.894 4.170 -0.001 0.000 0.307 192 I C -0.238 175.819 176.117 -0.101 0.000 1.053 192 I CA -1.074 60.191 61.300 -0.057 0.000 1.050 192 I CB 1.884 39.864 38.000 -0.033 0.000 1.239 192 I HN 0.562 nan 8.210 nan 0.000 0.439 193 R N 3.495 123.933 120.500 -0.103 0.000 2.234 193 R HA 0.250 4.589 4.340 -0.001 0.000 0.324 193 R C -0.208 176.054 176.300 -0.063 0.000 1.054 193 R CA -0.447 55.590 56.100 -0.106 0.000 0.912 193 R CB 0.461 30.698 30.300 -0.105 0.000 1.030 193 R HN 0.912 nan 8.270 nan 0.000 0.455 194 N N 2.887 121.558 118.700 -0.048 0.000 2.322 194 N HA -0.049 4.690 4.740 -0.001 0.000 0.270 194 N C 0.665 176.161 175.510 -0.025 0.000 1.286 194 N CA -0.185 52.849 53.050 -0.026 0.000 0.948 194 N CB 0.365 38.846 38.487 -0.010 0.000 1.164 194 N HN 0.578 nan 8.380 nan 0.000 0.551 195 R N -1.087 119.403 120.500 -0.016 0.000 2.120 195 R HA -0.087 4.252 4.340 -0.001 0.000 0.234 195 R C 0.068 176.360 176.300 -0.013 0.000 1.123 195 R CA 1.313 57.404 56.100 -0.015 0.000 0.975 195 R CB -0.188 30.106 30.300 -0.010 0.000 0.866 195 R HN 0.564 nan 8.270 nan 0.000 0.446 196 D N -0.988 119.406 120.400 -0.010 0.000 2.371 196 D HA 0.030 4.669 4.640 -0.001 0.000 0.221 196 D C 1.071 177.363 176.300 -0.013 0.000 0.986 196 D CA 1.249 55.245 54.000 -0.007 0.000 0.899 196 D CB 0.427 41.227 40.800 -0.000 0.000 0.902 196 D HN 0.550 nan 8.370 nan 0.000 0.530 197 G N 0.809 109.596 108.800 -0.023 0.000 2.176 197 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.232 197 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.232 197 G C 0.409 175.280 174.900 -0.049 0.000 0.986 197 G CA 0.080 45.159 45.100 -0.035 0.000 0.643 197 G HN 0.398 nan 8.290 nan 0.000 0.522 198 K N 0.804 121.181 120.400 -0.038 0.000 2.156 198 K HA 0.660 4.979 4.320 -0.001 0.000 0.271 198 K C 0.739 177.287 176.600 -0.087 0.000 0.995 198 K CA -0.893 55.372 56.287 -0.037 0.000 0.890 198 K CB 0.426 32.934 32.500 0.013 0.000 1.073 198 K HN 0.168 nan 8.250 nan 0.000 0.454 199 L N 4.692 125.800 121.223 -0.191 0.000 2.410 199 L HA 0.192 4.532 4.340 -0.001 0.000 0.273 199 L C -0.150 176.669 176.870 -0.084 0.000 1.152 199 L CA -0.458 54.159 54.840 -0.371 0.000 0.855 199 L CB 0.722 42.121 42.059 -1.101 0.000 1.129 199 L HN 0.431 nan 8.230 nan 0.000 0.463 200 V N 0.478 120.375 119.914 -0.029 0.000 2.888 200 V HA 0.814 4.934 4.120 -0.001 0.000 0.309 200 V C -0.140 176.056 176.094 0.170 0.000 1.114 200 V CA -0.970 61.416 62.300 0.143 0.000 0.940 200 V CB 1.575 33.449 31.823 0.084 0.000 1.021 200 V HN 0.788 nan 8.190 nan 0.000 0.426 201 A N 3.599 126.572 122.820 0.256 0.000 2.363 201 A HA 0.865 5.184 4.320 -0.001 0.000 0.270 201 A C 0.107 177.781 177.584 0.149 0.000 1.121 201 A CA 0.162 52.336 52.037 0.228 0.000 0.800 201 A CB 0.736 19.877 19.000 0.235 0.000 1.052 201 A HN 2.302 nan 8.150 nan 0.000 0.493 202 V N -0.533 119.456 119.914 0.126 0.000 3.130 202 V HA 0.784 4.904 4.120 -0.001 0.000 0.310 202 V C -3.122 172.951 176.094 -0.036 0.000 1.158 202 V CA -2.787 59.550 62.300 0.061 0.000 1.029 202 V CB 1.631 33.469 31.823 0.024 0.000 1.057 202 V HN 0.636 nan 8.190 nan 0.000 0.436 203 P HA 0.322 nan 4.420 nan 0.000 0.272 203 P C -2.706 174.377 177.300 -0.362 0.000 1.223 203 P CA -1.021 61.807 63.100 -0.453 0.000 0.784 203 P CB -0.269 31.367 31.700 -0.106 0.000 0.923 204 P HA 0.045 nan 4.420 nan 0.000 0.275 204 P C -0.163 176.952 177.300 -0.308 0.000 1.227 204 P CA -0.002 62.824 63.100 -0.457 0.000 0.781 204 P CB 0.596 31.785 31.700 -0.853 0.000 0.906 205 S N 1.579 117.121 115.700 -0.264 0.000 2.661 205 S HA 0.407 4.877 4.470 -0.001 0.000 0.265 205 S C 1.598 176.061 174.600 -0.227 0.000 1.225 205 S CA -0.034 58.050 58.200 -0.192 0.000 0.986 205 S CB 0.262 63.376 63.200 -0.143 0.000 1.008 205 S HN 0.500 nan 8.310 nan 0.000 0.565 206 A N 0.884 123.610 122.820 -0.158 0.000 1.902 206 A HA 0.138 4.457 4.320 -0.001 0.000 0.217 206 A C 2.420 179.914 177.584 -0.149 0.000 1.181 206 A CA 1.912 53.864 52.037 -0.141 0.000 0.623 206 A CB -1.796 17.149 19.000 -0.091 0.000 0.818 206 A HN 1.349 nan 8.150 nan 0.000 0.443 207 A N -0.005 122.736 122.820 -0.132 0.000 1.940 207 A HA -0.215 4.104 4.320 -0.001 0.000 0.219 207 A C 1.789 179.286 177.584 -0.145 0.000 1.176 207 A CA 1.913 53.884 52.037 -0.110 0.000 0.631 207 A CB -0.577 18.365 19.000 -0.096 0.000 0.814 207 A HN 0.501 nan 8.150 nan 0.000 0.446 208 D N 0.046 120.290 120.400 -0.261 0.000 2.117 208 D HA -0.104 4.535 4.640 -0.001 0.000 0.197 208 D C 1.987 177.840 176.300 -0.745 0.000 0.987 208 D CA 1.021 54.754 54.000 -0.446 0.000 0.829 208 D CB -0.336 40.097 40.800 -0.612 0.000 0.961 208 D HN 0.449 nan 8.370 nan 0.000 0.460 209 L N 0.581 121.421 121.223 -0.638 0.000 2.083 209 L HA -0.194 4.146 4.340 -0.001 0.000 0.209 209 L C 2.642 179.436 176.870 -0.125 0.000 1.083 209 L CA 1.043 55.617 54.840 -0.443 0.000 0.752 209 L CB -0.352 41.556 42.059 -0.252 0.000 0.899 209 L HN 0.065 nan 8.230 nan 0.000 0.433 210 Q N -0.810 118.942 119.800 -0.080 0.000 2.119 210 Q HA -0.259 4.080 4.340 -0.001 0.000 0.201 210 Q C 2.251 178.312 176.000 0.101 0.000 0.972 210 Q CA 1.604 57.415 55.803 0.013 0.000 0.847 210 Q CB -0.146 28.595 28.738 0.004 0.000 0.903 210 Q HN 0.455 nan 8.270 nan 0.000 0.433 211 Y N -0.404 119.881 120.300 -0.026 0.000 2.181 211 Y HA -0.241 4.308 4.550 -0.001 0.000 0.288 211 Y C 1.421 177.462 175.900 0.235 0.000 1.146 211 Y CA 1.506 59.654 58.100 0.079 0.000 1.164 211 Y CB -0.454 38.053 38.460 0.077 0.000 0.982 211 Y HN 0.241 nan 8.280 nan 0.000 0.515 212 W N 1.020 122.289 121.300 -0.050 0.000 2.402 212 W HA -0.151 4.509 4.660 -0.001 0.000 0.286 212 W C 2.635 179.088 176.519 -0.109 0.000 1.221 212 W CA 1.300 58.570 57.345 -0.125 0.000 1.257 212 W CB -1.327 28.147 29.460 0.024 0.000 1.120 212 W HN 0.263 nan 8.180 nan 0.000 0.551 213 Q N 0.620 120.516 119.800 0.160 0.000 2.096 213 Q HA -0.206 4.134 4.340 -0.001 0.000 0.204 213 Q C 2.277 178.266 176.000 -0.018 0.000 0.982 213 Q CA 1.915 57.758 55.803 0.067 0.000 0.850 213 Q CB -0.181 28.592 28.738 0.058 0.000 0.901 213 Q HN 0.229 nan 8.270 nan 0.000 0.422 214 R N -0.049 120.437 120.500 -0.023 0.000 2.081 214 R HA -0.099 4.240 4.340 -0.001 0.000 0.235 214 R C 2.478 178.698 176.300 -0.134 0.000 1.131 214 R CA 1.219 57.282 56.100 -0.063 0.000 0.960 214 R CB -0.332 29.976 30.300 0.013 0.000 0.856 214 R HN 0.339 nan 8.270 nan 0.000 0.436 215 L N 0.729 121.822 121.223 -0.216 0.000 2.046 215 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 215 L C 2.331 178.862 176.870 -0.566 0.000 1.077 215 L CA 1.154 55.795 54.840 -0.333 0.000 0.747 215 L CB -0.390 41.460 42.059 -0.347 0.000 0.896 215 L HN 0.217 nan 8.230 nan 0.000 0.432 216 L N -0.638 120.375 121.223 -0.350 0.000 2.353 216 L HA -0.209 4.130 4.340 -0.001 0.000 0.220 216 L C 2.509 179.132 176.870 -0.410 0.000 1.133 216 L CA 0.796 55.432 54.840 -0.340 0.000 0.798 216 L CB -0.417 41.589 42.059 -0.088 0.000 0.922 216 L HN 0.396 nan 8.230 nan 0.000 0.445 217 Q N -0.870 118.696 119.800 -0.390 0.000 2.291 217 Q HA -0.207 4.132 4.340 -0.001 0.000 0.206 217 Q C 1.509 177.184 176.000 -0.541 0.000 0.976 217 Q CA 1.228 56.791 55.803 -0.401 0.000 0.875 217 Q CB -0.083 28.416 28.738 -0.399 0.000 0.927 217 Q HN 0.644 nan 8.270 nan 0.000 0.450 218 H N -1.588 117.093 119.070 -0.649 0.000 2.551 218 H HA 0.073 4.629 4.556 -0.001 0.000 0.266 218 H C -0.445 174.597 175.328 -0.477 0.000 0.964 218 H CA 0.079 55.753 56.048 -0.623 0.000 1.180 218 H CB 0.404 29.683 29.762 -0.804 0.000 1.408 218 H HN 0.009 nan 8.280 nan 0.000 0.563 219 F N 0.103 119.981 119.950 -0.119 0.000 2.507 219 F HA 0.413 4.939 4.527 -0.001 0.000 0.327 219 F C -2.119 173.613 175.800 -0.114 0.000 1.068 219 F CA -4.320 53.599 58.000 -0.134 0.000 0.965 219 F CB 0.106 39.006 39.000 -0.167 0.000 1.192 219 F HN -0.246 nan 8.300 nan 0.000 0.476 220 P HA -0.017 nan 4.420 nan 0.000 0.264 220 P C -0.323 176.984 177.300 0.011 0.000 1.183 220 P CA -0.047 63.072 63.100 0.033 0.000 0.763 220 P CB 0.359 32.080 31.700 0.034 0.000 0.807 221 E N 2.296 122.484 120.200 -0.020 0.000 2.452 221 E HA 0.160 4.509 4.350 -0.001 0.000 0.261 221 E C 1.082 177.649 176.600 -0.053 0.000 0.987 221 E CA 0.770 57.138 56.400 -0.053 0.000 0.926 221 E CB -0.404 29.285 29.700 -0.017 0.000 0.934 221 E HN 0.758 nan 8.360 nan 0.000 0.452 222 G N 2.812 111.487 108.800 -0.208 0.000 2.148 222 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.254 222 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.254 222 G C 0.301 175.184 174.900 -0.028 0.000 0.981 222 G CA 0.138 45.162 45.100 -0.127 0.000 0.670 222 G HN 0.659 nan 8.290 nan 0.000 0.528 223 V N 1.027 120.916 119.914 -0.043 0.000 2.720 223 V HA 0.430 4.550 4.120 -0.001 0.000 0.307 223 V C 1.296 177.404 176.094 0.024 0.000 1.071 223 V CA 0.633 62.939 62.300 0.010 0.000 1.199 223 V CB 0.499 32.332 31.823 0.016 0.000 0.900 223 V HN 1.777 nan 8.190 nan 0.000 0.494 224 A N 8.202 131.060 122.820 0.064 0.000 2.540 224 A HA 0.504 4.823 4.320 -0.001 0.000 0.239 224 A C 0.371 177.999 177.584 0.073 0.000 1.061 224 A CA -0.055 52.044 52.037 0.103 0.000 0.758 224 A CB 0.020 19.085 19.000 0.109 0.000 0.991 224 A HN 1.022 nan 8.150 nan 0.000 0.502 225 R N 1.425 121.941 120.500 0.027 0.000 2.686 225 R HA 0.771 5.110 4.340 -0.001 0.000 0.286 225 R C -1.085 175.145 176.300 -0.117 0.000 0.969 225 R CA -0.026 56.016 56.100 -0.097 0.000 0.898 225 R CB 1.184 31.461 30.300 -0.038 0.000 1.183 225 R HN 0.936 nan 8.270 nan 0.000 0.456 226 A N 4.281 126.926 122.820 -0.292 0.000 2.342 226 A HA 0.579 4.898 4.320 -0.001 0.000 0.323 226 A C -0.201 177.175 177.584 -0.347 0.000 1.125 226 A CA -1.000 50.855 52.037 -0.303 0.000 0.785 226 A CB 0.791 19.503 19.000 -0.479 0.000 1.221 226 A HN 0.758 nan 8.150 nan 0.000 0.463 227 I N 1.716 122.094 120.570 -0.321 0.000 2.452 227 I HA 0.137 4.306 4.170 -0.001 0.000 0.287 227 I C 0.750 176.495 176.117 -0.619 0.000 1.079 227 I CA 0.649 61.647 61.300 -0.503 0.000 1.387 227 I CB 0.719 38.367 38.000 -0.587 0.000 1.404 227 I HN 0.762 nan 8.210 nan 0.000 0.522 228 E N 8.055 127.909 120.200 -0.576 0.000 3.909 228 E HA 0.189 4.538 4.350 -0.001 0.000 0.236 228 E C -1.723 174.755 176.600 -0.202 0.000 1.222 228 E CA -0.373 55.749 56.400 -0.464 0.000 1.205 228 E CB 0.553 29.928 29.700 -0.543 0.000 1.249 228 E HN 0.561 nan 8.360 nan 0.000 0.411 229 Y N -2.556 117.637 120.300 -0.179 0.000 2.655 229 Y HA 0.675 5.224 4.550 -0.001 0.000 0.336 229 Y C -3.042 172.757 175.900 -0.168 0.000 1.154 229 Y CA -3.350 54.688 58.100 -0.103 0.000 1.055 229 Y CB 0.057 38.523 38.460 0.010 0.000 1.295 229 Y HN -0.064 nan 8.280 nan 0.000 0.465 230 P HA 0.207 nan 4.420 nan 0.000 0.263 230 P C -1.006 176.263 177.300 -0.051 0.000 1.195 230 P CA 0.495 63.596 63.100 0.002 0.000 0.762 230 P CB 0.397 32.127 31.700 0.049 0.000 0.799 231 L N 4.739 125.839 121.223 -0.204 0.000 2.324 231 L HA 0.392 4.731 4.340 -0.001 0.000 0.274 231 L C 0.180 177.053 176.870 0.005 0.000 1.012 231 L CA -0.142 54.584 54.840 -0.191 0.000 0.859 231 L CB 0.875 42.683 42.059 -0.419 0.000 1.224 231 L HN 0.295 nan 8.230 nan 0.000 0.429 232 Q N 2.232 122.059 119.800 0.046 0.000 2.331 232 Q HA 0.849 5.188 4.340 -0.001 0.000 0.272 232 Q C -0.325 175.728 176.000 0.088 0.000 1.062 232 Q CA -0.792 55.062 55.803 0.085 0.000 0.806 232 Q CB 3.301 32.076 28.738 0.061 0.000 1.312 232 Q HN 0.715 nan 8.270 nan 0.000 0.431 233 G N 0.818 109.675 108.800 0.095 0.000 2.313 233 G HA2 0.025 3.984 3.960 -0.001 0.000 0.296 233 G HA3 0.025 3.984 3.960 -0.001 0.000 0.296 233 G C -0.823 174.122 174.900 0.074 0.000 1.356 233 G CA -0.664 44.485 45.100 0.082 0.000 0.833 233 G HN 0.512 nan 8.290 nan 0.000 0.552 234 D N -0.576 119.860 120.400 0.060 0.000 2.277 234 D HA 0.046 4.685 4.640 -0.001 0.000 0.208 234 D C 0.064 176.390 176.300 0.043 0.000 0.962 234 D CA 1.222 55.249 54.000 0.045 0.000 0.865 234 D CB 0.616 41.438 40.800 0.036 0.000 0.939 234 D HN 0.312 nan 8.370 nan 0.000 0.510 235 D N 0.249 120.683 120.400 0.057 0.000 2.405 235 D HA 0.128 4.767 4.640 -0.001 0.000 0.264 235 D C 1.175 177.523 176.300 0.080 0.000 1.240 235 D CA -0.280 53.752 54.000 0.054 0.000 0.893 235 D CB 0.404 41.233 40.800 0.050 0.000 1.198 235 D HN -0.087 nan 8.370 nan 0.000 0.514 236 L N 1.840 123.111 121.223 0.080 0.000 2.201 236 L HA -0.123 4.217 4.340 -0.001 0.000 0.212 236 L C 2.103 179.051 176.870 0.130 0.000 1.105 236 L CA 0.511 55.430 54.840 0.131 0.000 0.775 236 L CB -0.209 41.912 42.059 0.104 0.000 0.913 236 L HN 0.362 nan 8.230 nan 0.000 0.440 237 L N -0.532 120.737 121.223 0.076 0.000 1.994 237 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 237 L C 2.603 179.529 176.870 0.094 0.000 1.071 237 L CA 1.883 56.767 54.840 0.075 0.000 0.745 237 L CB -0.676 41.407 42.059 0.040 0.000 0.892 237 L HN 0.047 nan 8.230 nan 0.000 0.431 238 S N -0.404 115.346 115.700 0.084 0.000 2.359 238 S HA -0.196 4.273 4.470 -0.001 0.000 0.224 238 S C 1.844 176.518 174.600 0.123 0.000 1.035 238 S CA 1.696 59.947 58.200 0.086 0.000 1.018 238 S CB -0.657 62.585 63.200 0.070 0.000 0.876 238 S HN 0.465 nan 8.310 nan 0.000 0.448 239 L N 1.691 123.006 121.223 0.153 0.000 1.994 239 L HA -0.080 4.260 4.340 -0.001 0.000 0.208 239 L C 2.272 179.317 176.870 0.293 0.000 1.071 239 L CA 1.826 56.804 54.840 0.230 0.000 0.745 239 L CB -0.965 41.218 42.059 0.206 0.000 0.892 239 L HN 0.155 nan 8.230 nan 0.000 0.431 240 S N -0.620 115.218 115.700 0.231 0.000 2.370 240 S HA -0.253 4.216 4.470 -0.001 0.000 0.226 240 S C 2.058 176.773 174.600 0.192 0.000 1.033 240 S CA 1.591 59.922 58.200 0.219 0.000 1.011 240 S CB -0.451 62.896 63.200 0.245 0.000 0.852 240 S HN 0.461 nan 8.310 nan 0.000 0.457 241 R N 1.230 121.821 120.500 0.152 0.000 2.081 241 R HA -0.005 4.335 4.340 -0.001 0.000 0.235 241 R C 2.438 178.801 176.300 0.106 0.000 1.131 241 R CA 1.281 57.449 56.100 0.113 0.000 0.960 241 R CB -0.102 30.249 30.300 0.085 0.000 0.856 241 R HN 0.274 nan 8.270 nan 0.000 0.436 242 R N -0.914 119.650 120.500 0.107 0.000 2.073 242 R HA -0.109 4.231 4.340 -0.001 0.000 0.234 242 R C 2.350 178.655 176.300 0.008 0.000 1.134 242 R CA 1.578 57.700 56.100 0.037 0.000 0.952 242 R CB -0.488 29.810 30.300 -0.003 0.000 0.850 242 R HN 0.485 nan 8.270 nan 0.000 0.433 243 H N 0.450 119.584 119.070 0.106 0.000 2.357 243 H HA -0.050 4.506 4.556 -0.001 0.000 0.301 243 H C 2.296 177.701 175.328 0.128 0.000 1.082 243 H CA 1.415 57.551 56.048 0.147 0.000 1.342 243 H CB -0.047 29.820 29.762 0.175 0.000 1.389 243 H HN 0.162 nan 8.280 nan 0.000 0.511 244 I N 0.783 121.472 120.570 0.200 0.000 2.163 244 I HA -0.277 3.892 4.170 -0.001 0.000 0.243 244 I C 2.872 179.056 176.117 0.113 0.000 1.085 244 I CA 1.097 62.479 61.300 0.136 0.000 1.347 244 I CB -0.297 37.769 38.000 0.109 0.000 1.044 244 I HN 0.168 nan 8.210 nan 0.000 0.408 245 A N 0.593 123.466 122.820 0.088 0.000 1.902 245 A HA -0.171 4.149 4.320 -0.001 0.000 0.217 245 A C 2.531 180.153 177.584 0.063 0.000 1.181 245 A CA 1.874 53.948 52.037 0.062 0.000 0.623 245 A CB -0.858 18.166 19.000 0.040 0.000 0.818 245 A HN 0.448 nan 8.150 nan 0.000 0.443 246 A N -0.483 122.374 122.820 0.060 0.000 1.933 246 A HA -0.016 4.303 4.320 -0.001 0.000 0.218 246 A C 2.153 179.809 177.584 0.121 0.000 1.175 246 A CA 1.501 53.574 52.037 0.060 0.000 0.628 246 A CB -0.502 18.508 19.000 0.018 0.000 0.814 246 A HN 0.471 nan 8.150 nan 0.000 0.444 247 L N -1.118 120.205 121.223 0.165 0.000 2.179 247 L HA -0.059 4.280 4.340 -0.001 0.000 0.208 247 L C 2.969 179.948 176.870 0.181 0.000 1.096 247 L CA 0.722 55.685 54.840 0.205 0.000 0.779 247 L CB -0.378 41.818 42.059 0.227 0.000 0.922 247 L HN 0.421 nan 8.230 nan 0.000 0.443 248 A N 1.038 123.943 122.820 0.141 0.000 2.019 248 A HA -0.177 4.143 4.320 -0.001 0.000 0.219 248 A C 2.155 179.804 177.584 0.109 0.000 1.164 248 A CA 1.483 53.595 52.037 0.125 0.000 0.644 248 A CB -0.398 18.646 19.000 0.073 0.000 0.805 248 A HN 0.572 nan 8.150 nan 0.000 0.449 249 R N -1.596 118.967 120.500 0.105 0.000 2.432 249 R HA 0.400 4.740 4.340 -0.001 0.000 0.260 249 R C -0.307 176.079 176.300 0.143 0.000 0.935 249 R CA -0.487 55.653 56.100 0.067 0.000 1.080 249 R CB -0.397 29.919 30.300 0.028 0.000 1.155 249 R HN 0.250 nan 8.270 nan 0.000 0.531 250 L N 1.538 122.886 121.223 0.208 0.000 2.360 250 L HA 0.337 4.676 4.340 -0.001 0.000 0.276 250 L C 0.960 177.962 176.870 0.219 0.000 1.121 250 L CA 1.639 56.592 54.840 0.188 0.000 0.845 250 L CB 1.319 43.497 42.059 0.199 0.000 1.143 250 L HN 0.546 nan 8.230 nan 0.000 0.452 251 G N 2.339 111.229 108.800 0.149 0.000 2.561 251 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.203 251 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.203 251 G C 0.012 175.005 174.900 0.155 0.000 1.101 251 G CA 0.109 45.276 45.100 0.112 0.000 0.711 251 G HN 0.632 nan 8.290 nan 0.000 0.511 252 Q N 0.000 119.942 119.800 0.236 0.000 2.315 252 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 252 Q CA 0.000 55.878 55.803 0.125 0.000 1.022 252 Q CB 0.000 28.802 28.738 0.106 0.000 1.108 252 Q HN 0.000 nan 8.270 nan 0.000 0.481