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 2jah_1_C DATA FIRST_RESID 2 DATA SEQUENCE PSALQGKVAL ITGASSGIGE ATARALAAEG AAVAIAARRV EKLRALGDEL DATA SEQUENCE TAAGAKVHVL ELDVADRQGV DAAVASTVEA LGGLDILVNN AGIXLLGPVE DATA SEQUENCE DADTTDWTRX IDTNLLGLXY XTRAALPHLL RSKGTVVQXS SIAGRVNVRN DATA SEQUENCE AAVYQATKFG VNAFSETLRQ EVTERGVRVV VIEPGTTDTE LRGHITHTAT DATA SEQUENCE KEXYEQRISQ IRKLQAQDIA EAVRYAVTAP HHATVHEIFI RPTDQV 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.308 177.300 0.013 0.000 1.155 2 P CA 0.000 63.108 63.100 0.013 0.000 0.800 2 P CB 0.000 31.709 31.700 0.014 0.000 0.726 3 S N 0.446 116.153 115.700 0.013 0.000 2.395 3 S HA 0.497 4.968 4.470 0.001 0.000 0.207 3 S C 0.812 175.419 174.600 0.012 0.000 1.454 3 S CA 0.094 58.301 58.200 0.012 0.000 1.211 3 S CB 1.310 64.516 63.200 0.010 0.000 1.093 3 S HN 0.660 nan 8.310 nan 0.000 0.472 4 A N 2.031 124.859 122.820 0.013 0.000 2.067 4 A HA 0.150 4.470 4.320 0.001 0.000 0.219 4 A C 1.102 178.691 177.584 0.009 0.000 1.158 4 A CA 1.055 53.099 52.037 0.012 0.000 0.661 4 A CB -0.226 18.782 19.000 0.014 0.000 0.801 4 A HN 0.699 nan 8.150 nan 0.000 0.452 5 L N -0.532 120.696 121.223 0.009 0.000 3.202 5 L HA 0.193 4.533 4.340 0.001 0.000 0.278 5 L C 0.231 177.105 176.870 0.007 0.000 1.268 5 L CA -0.525 54.319 54.840 0.007 0.000 1.034 5 L CB 0.280 42.344 42.059 0.008 0.000 1.407 5 L HN 0.259 nan 8.230 nan 0.000 0.581 6 Q N 1.136 120.940 119.800 0.007 0.000 2.263 6 Q HA 0.256 4.596 4.340 0.001 0.000 0.289 6 Q C 1.278 177.280 176.000 0.004 0.000 1.061 6 Q CA 1.554 57.361 55.803 0.006 0.000 0.927 6 Q CB 0.604 29.345 28.738 0.006 0.000 1.154 6 Q HN 0.438 nan 8.270 nan 0.000 0.378 7 G N 2.992 111.794 108.800 0.003 0.000 2.217 7 G HA2 -0.215 3.745 3.960 0.001 0.000 0.246 7 G HA3 -0.215 3.745 3.960 0.001 0.000 0.246 7 G C -0.198 174.702 174.900 -0.000 0.000 0.990 7 G CA 0.167 45.268 45.100 0.001 0.000 0.627 7 G HN 0.525 nan 8.290 nan 0.000 0.522 8 K N 0.309 120.710 120.400 0.002 0.000 2.098 8 K HA 0.665 4.985 4.320 0.001 0.000 0.257 8 K C 0.111 176.713 176.600 0.003 0.000 0.999 8 K CA -0.523 55.766 56.287 0.003 0.000 0.924 8 K CB 2.031 34.535 32.500 0.006 0.000 1.028 8 K HN 0.181 nan 8.250 nan 0.000 0.466 9 V N 1.292 121.207 119.914 0.002 0.000 2.409 9 V HA 0.481 4.602 4.120 0.001 0.000 0.291 9 V C -0.348 175.750 176.094 0.007 0.000 1.020 9 V CA -0.980 61.321 62.300 0.000 0.000 0.848 9 V CB 1.410 33.225 31.823 -0.014 0.000 0.990 9 V HN 0.830 nan 8.190 nan 0.000 0.430 10 A N 5.288 128.115 122.820 0.013 0.000 2.331 10 A HA 0.860 5.181 4.320 0.001 0.000 0.320 10 A C -1.144 176.454 177.584 0.023 0.000 1.138 10 A CA -0.543 51.504 52.037 0.018 0.000 0.790 10 A CB 1.337 20.348 19.000 0.019 0.000 1.206 10 A HN 0.787 nan 8.150 nan 0.000 0.470 11 L N 3.487 124.724 121.223 0.024 0.000 2.287 11 L HA 0.758 5.098 4.340 0.001 0.000 0.287 11 L C -1.313 175.574 176.870 0.029 0.000 1.022 11 L CA -0.535 54.323 54.840 0.030 0.000 0.814 11 L CB 0.680 42.755 42.059 0.028 0.000 1.217 11 L HN 0.503 nan 8.230 nan 0.000 0.420 12 I N 4.461 125.048 120.570 0.028 0.000 2.411 12 I HA 0.403 4.573 4.170 0.001 0.000 0.284 12 I C 0.442 176.573 176.117 0.022 0.000 1.012 12 I CA -0.254 61.061 61.300 0.025 0.000 1.119 12 I CB 1.845 39.859 38.000 0.023 0.000 1.261 12 I HN 0.730 nan 8.210 nan 0.000 0.448 13 T N 1.759 116.326 114.554 0.023 0.000 2.913 13 T HA 0.571 4.922 4.350 0.001 0.000 0.287 13 T C 0.966 175.677 174.700 0.017 0.000 1.008 13 T CA -0.015 62.097 62.100 0.019 0.000 1.067 13 T CB 1.395 70.276 68.868 0.021 0.000 0.996 13 T HN 1.236 nan 8.240 nan 0.000 0.513 14 G N 0.683 109.491 108.800 0.014 0.000 2.272 14 G HA2 -0.018 3.943 3.960 0.001 0.000 0.280 14 G HA3 -0.018 3.943 3.960 0.001 0.000 0.280 14 G C 0.683 175.594 174.900 0.019 0.000 1.067 14 G CA 0.005 45.114 45.100 0.015 0.000 0.902 14 G HN 1.513 nan 8.290 nan 0.000 0.500 15 A N -0.234 122.595 122.820 0.015 0.000 2.251 15 A HA 0.479 4.799 4.320 0.001 0.000 0.209 15 A C 2.363 179.956 177.584 0.015 0.000 1.187 15 A CA 1.664 53.711 52.037 0.016 0.000 0.823 15 A CB -0.234 18.773 19.000 0.012 0.000 0.846 15 A HN 1.615 nan 8.150 nan 0.000 0.486 16 S N -0.269 115.440 115.700 0.016 0.000 2.489 16 S HA 0.135 4.605 4.470 0.001 0.000 0.228 16 S C 0.845 175.460 174.600 0.024 0.000 0.995 16 S CA 0.664 58.874 58.200 0.016 0.000 0.934 16 S CB -0.457 62.751 63.200 0.015 0.000 0.771 16 S HN 1.068 nan 8.310 nan 0.000 0.522 17 S N -1.421 114.297 115.700 0.031 0.000 2.672 17 S HA 0.720 5.191 4.470 0.001 0.000 0.271 17 S C 0.505 175.129 174.600 0.039 0.000 1.171 17 S CA -0.410 57.812 58.200 0.036 0.000 0.817 17 S CB 0.658 63.886 63.200 0.048 0.000 1.150 17 S HN 1.523 nan 8.310 nan 0.000 0.478 18 G N 1.136 109.961 108.800 0.041 0.000 2.582 18 G HA2 -0.279 3.681 3.960 0.001 0.000 0.288 18 G HA3 -0.279 3.681 3.960 0.001 0.000 0.288 18 G C 0.684 175.607 174.900 0.040 0.000 1.247 18 G CA 0.455 45.582 45.100 0.044 0.000 0.972 18 G HN 1.276 nan 8.290 nan 0.000 0.557 19 I N 1.636 122.233 120.570 0.044 0.000 2.208 19 I HA -0.096 4.074 4.170 0.001 0.000 0.245 19 I C 3.081 179.219 176.117 0.035 0.000 1.097 19 I CA 2.080 63.404 61.300 0.041 0.000 1.363 19 I CB -0.681 37.347 38.000 0.047 0.000 1.051 19 I HN 0.649 nan 8.210 nan 0.000 0.413 20 G N -0.009 108.811 108.800 0.034 0.000 2.418 20 G HA2 -0.285 3.675 3.960 0.001 0.000 0.217 20 G HA3 -0.285 3.675 3.960 0.001 0.000 0.217 20 G C 1.526 176.442 174.900 0.026 0.000 1.158 20 G CA 0.871 45.988 45.100 0.029 0.000 0.771 20 G HN 0.478 nan 8.290 nan 0.000 0.545 21 E N 0.560 120.775 120.200 0.026 0.000 2.038 21 E HA -0.091 4.259 4.350 0.001 0.000 0.195 21 E C 2.773 179.387 176.600 0.023 0.000 1.000 21 E CA 1.175 57.589 56.400 0.023 0.000 0.803 21 E CB -0.311 29.402 29.700 0.023 0.000 0.750 21 E HN 0.308 nan 8.360 nan 0.000 0.448 22 A N 0.236 123.071 122.820 0.025 0.000 1.933 22 A HA -0.173 4.147 4.320 0.001 0.000 0.218 22 A C 2.382 179.981 177.584 0.025 0.000 1.175 22 A CA 2.072 54.124 52.037 0.024 0.000 0.628 22 A CB -0.938 18.078 19.000 0.026 0.000 0.814 22 A HN 0.381 nan 8.150 nan 0.000 0.444 23 T N 0.236 114.806 114.554 0.027 0.000 2.737 23 T HA 0.001 4.351 4.350 0.001 0.000 0.265 23 T C 2.275 176.989 174.700 0.024 0.000 1.038 23 T CA 1.560 63.676 62.100 0.027 0.000 1.144 23 T CB -0.501 68.383 68.868 0.028 0.000 0.866 23 T HN 0.609 nan 8.240 nan 0.000 0.434 24 A N 1.994 124.828 122.820 0.023 0.000 1.892 24 A HA -0.192 4.128 4.320 0.001 0.000 0.218 24 A C 2.380 179.975 177.584 0.020 0.000 1.188 24 A CA 1.684 53.733 52.037 0.021 0.000 0.631 24 A CB -0.557 18.454 19.000 0.019 0.000 0.822 24 A HN 0.434 nan 8.150 nan 0.000 0.447 25 R N -0.690 119.821 120.500 0.019 0.000 2.073 25 R HA -0.086 4.254 4.340 0.001 0.000 0.234 25 R C 2.520 178.831 176.300 0.019 0.000 1.134 25 R CA 1.263 57.374 56.100 0.018 0.000 0.952 25 R CB -0.504 29.806 30.300 0.017 0.000 0.850 25 R HN 0.524 nan 8.270 nan 0.000 0.433 26 A N 1.260 124.093 122.820 0.021 0.000 1.902 26 A HA -0.112 4.208 4.320 0.001 0.000 0.217 26 A C 2.197 179.794 177.584 0.022 0.000 1.181 26 A CA 1.142 53.193 52.037 0.023 0.000 0.623 26 A CB -0.495 18.521 19.000 0.027 0.000 0.818 26 A HN 0.161 nan 8.150 nan 0.000 0.443 27 L N -0.899 120.337 121.223 0.021 0.000 2.056 27 L HA -0.148 4.193 4.340 0.001 0.000 0.207 27 L C 3.118 179.999 176.870 0.017 0.000 1.078 27 L CA 0.958 55.809 54.840 0.019 0.000 0.749 27 L CB -0.686 41.384 42.059 0.019 0.000 0.901 27 L HN 0.429 nan 8.230 nan 0.000 0.433 28 A N 0.464 123.295 122.820 0.018 0.000 1.883 28 A HA -0.237 4.084 4.320 0.001 0.000 0.217 28 A C 2.538 180.131 177.584 0.015 0.000 1.186 28 A CA 1.943 53.989 52.037 0.016 0.000 0.624 28 A CB -0.789 18.221 19.000 0.017 0.000 0.822 28 A HN 0.408 nan 8.150 nan 0.000 0.444 29 A N -0.719 122.111 122.820 0.016 0.000 2.024 29 A HA -0.134 4.186 4.320 0.001 0.000 0.220 29 A C 1.712 179.305 177.584 0.015 0.000 1.164 29 A CA 1.650 53.697 52.037 0.015 0.000 0.643 29 A CB -0.328 18.682 19.000 0.016 0.000 0.806 29 A HN 0.449 nan 8.150 nan 0.000 0.451 30 E N -1.229 118.981 120.200 0.016 0.000 2.502 30 E HA 0.178 4.528 4.350 0.001 0.000 0.194 30 E C 1.219 177.826 176.600 0.013 0.000 1.062 30 E CA 0.655 57.064 56.400 0.015 0.000 0.867 30 E CB -0.248 29.462 29.700 0.016 0.000 0.888 30 E HN 0.804 nan 8.360 nan 0.000 0.510 31 G N 0.953 109.760 108.800 0.012 0.000 2.141 31 G HA2 -0.285 3.676 3.960 0.001 0.000 0.242 31 G HA3 -0.285 3.676 3.960 0.001 0.000 0.242 31 G C 0.487 175.393 174.900 0.010 0.000 0.982 31 G CA 0.152 45.259 45.100 0.011 0.000 0.662 31 G HN 0.491 nan 8.290 nan 0.000 0.527 32 A N 0.125 122.952 122.820 0.011 0.000 2.440 32 A HA 0.822 5.143 4.320 0.001 0.000 0.251 32 A C 0.975 178.566 177.584 0.013 0.000 1.089 32 A CA 0.895 52.938 52.037 0.011 0.000 0.779 32 A CB 0.545 19.552 19.000 0.013 0.000 1.022 32 A HN 2.090 nan 8.150 nan 0.000 0.492 33 A N 1.748 124.575 122.820 0.011 0.000 2.440 33 A HA 0.498 4.818 4.320 0.001 0.000 0.251 33 A C 0.293 177.889 177.584 0.021 0.000 1.089 33 A CA 0.233 52.279 52.037 0.014 0.000 0.779 33 A CB -0.279 18.726 19.000 0.007 0.000 1.022 33 A HN 2.032 nan 8.150 nan 0.000 0.492 34 V N 0.415 120.347 119.914 0.030 0.000 2.409 34 V HA 0.803 4.923 4.120 0.001 0.000 0.291 34 V C 0.180 176.309 176.094 0.058 0.000 1.020 34 V CA -0.424 61.898 62.300 0.036 0.000 0.848 34 V CB 0.882 32.722 31.823 0.028 0.000 0.990 34 V HN 1.393 nan 8.190 nan 0.000 0.430 35 A N 7.138 129.998 122.820 0.067 0.000 2.260 35 A HA 0.826 5.146 4.320 0.001 0.000 0.308 35 A C -0.029 177.583 177.584 0.046 0.000 1.254 35 A CA -0.633 51.462 52.037 0.098 0.000 0.874 35 A CB 0.182 19.266 19.000 0.141 0.000 1.153 35 A HN 1.464 nan 8.150 nan 0.000 0.527 36 I N 0.622 121.201 120.570 0.016 0.000 2.362 36 I HA 0.790 4.960 4.170 0.001 0.000 0.289 36 I C -0.048 176.059 176.117 -0.018 0.000 0.994 36 I CA -0.662 60.639 61.300 0.001 0.000 1.158 36 I CB 1.797 39.797 38.000 -0.000 0.000 1.315 36 I HN 0.509 nan 8.210 nan 0.000 0.451 37 A N 5.014 127.831 122.820 -0.005 0.000 2.355 37 A HA 1.028 5.349 4.320 0.001 0.000 0.317 37 A C -0.302 177.280 177.584 -0.004 0.000 1.094 37 A CA -0.060 51.971 52.037 -0.009 0.000 0.764 37 A CB 1.556 20.558 19.000 0.003 0.000 1.230 37 A HN 1.430 nan 8.150 nan 0.000 0.448 38 A N 1.533 124.347 122.820 -0.009 0.000 2.410 38 A HA 0.629 4.949 4.320 0.001 0.000 0.300 38 A C 0.174 177.753 177.584 -0.009 0.000 1.077 38 A CA -0.410 51.624 52.037 -0.005 0.000 0.610 38 A CB 0.095 19.095 19.000 -0.001 0.000 1.371 38 A HN 0.706 nan 8.150 nan 0.000 0.510 39 R N -0.495 120.001 120.500 -0.008 0.000 2.140 39 R HA 0.125 4.465 4.340 0.001 0.000 0.213 39 R C 0.270 176.566 176.300 -0.006 0.000 1.059 39 R CA 0.561 56.656 56.100 -0.008 0.000 1.000 39 R CB 0.015 30.309 30.300 -0.010 0.000 0.910 39 R HN 0.530 nan 8.270 nan 0.000 0.455 40 R N 1.761 122.260 120.500 -0.001 0.000 2.612 40 R HA 0.070 4.410 4.340 0.001 0.000 0.273 40 R C 0.933 177.231 176.300 -0.003 0.000 1.376 40 R CA -0.294 55.807 56.100 0.002 0.000 1.171 40 R CB 0.590 30.898 30.300 0.012 0.000 1.151 40 R HN 0.031 nan 8.270 nan 0.000 0.560 41 V N 1.710 121.619 119.914 -0.008 0.000 2.407 41 V HA -0.286 3.835 4.120 0.001 0.000 0.248 41 V C 1.590 177.677 176.094 -0.011 0.000 1.055 41 V CA 1.783 64.073 62.300 -0.015 0.000 1.049 41 V CB -0.422 31.390 31.823 -0.019 0.000 0.662 41 V HN 0.591 nan 8.190 nan 0.000 0.455 42 E N 0.782 120.979 120.200 -0.005 0.000 2.085 42 E HA -0.201 4.150 4.350 0.001 0.000 0.194 42 E C 2.119 178.719 176.600 -0.001 0.000 0.994 42 E CA 1.093 57.492 56.400 -0.002 0.000 0.801 42 E CB -0.433 29.267 29.700 0.001 0.000 0.743 42 E HN 0.451 nan 8.360 nan 0.000 0.453 43 K N 0.641 121.042 120.400 0.002 0.000 2.026 43 K HA -0.053 4.268 4.320 0.001 0.000 0.208 43 K C 2.301 178.902 176.600 0.001 0.000 1.048 43 K CA 0.949 57.239 56.287 0.005 0.000 0.929 43 K CB -0.596 31.910 32.500 0.011 0.000 0.713 43 K HN 0.211 nan 8.250 nan 0.000 0.439 44 L N 0.799 122.020 121.223 -0.004 0.000 2.012 44 L HA -0.197 4.143 4.340 0.001 0.000 0.210 44 L C 2.735 179.597 176.870 -0.013 0.000 1.073 44 L CA 1.344 56.178 54.840 -0.011 0.000 0.748 44 L CB -0.371 41.674 42.059 -0.022 0.000 0.891 44 L HN 0.196 nan 8.230 nan 0.000 0.431 45 R N -0.227 120.264 120.500 -0.014 0.000 2.081 45 R HA -0.155 4.185 4.340 0.001 0.000 0.235 45 R C 2.381 178.677 176.300 -0.006 0.000 1.131 45 R CA 1.415 57.507 56.100 -0.013 0.000 0.960 45 R CB -0.546 29.747 30.300 -0.012 0.000 0.856 45 R HN 0.376 nan 8.270 nan 0.000 0.436 46 A N 1.340 124.159 122.820 -0.002 0.000 1.902 46 A HA -0.162 4.159 4.320 0.001 0.000 0.217 46 A C 2.113 179.698 177.584 0.003 0.000 1.181 46 A CA 1.080 53.117 52.037 0.001 0.000 0.623 46 A CB -0.432 18.569 19.000 0.003 0.000 0.818 46 A HN 0.227 nan 8.150 nan 0.000 0.443 47 L N 0.073 121.298 121.223 0.003 0.000 2.027 47 L HA 0.033 4.374 4.340 0.001 0.000 0.206 47 L C 2.406 179.279 176.870 0.005 0.000 1.074 47 L CA 2.338 57.181 54.840 0.005 0.000 0.745 47 L CB -1.201 40.862 42.059 0.006 0.000 0.898 47 L HN 0.292 nan 8.230 nan 0.000 0.433 48 G N -0.897 107.903 108.800 0.001 0.000 2.446 48 G HA2 -0.311 3.650 3.960 0.001 0.000 0.217 48 G HA3 -0.311 3.650 3.960 0.001 0.000 0.217 48 G C 1.277 176.180 174.900 0.005 0.000 1.168 48 G CA 0.960 46.061 45.100 0.002 0.000 0.771 48 G HN 0.437 nan 8.290 nan 0.000 0.551 49 D N 0.209 120.611 120.400 0.003 0.000 2.104 49 D HA -0.098 4.542 4.640 0.001 0.000 0.194 49 D C 2.205 178.508 176.300 0.006 0.000 0.994 49 D CA 1.199 55.202 54.000 0.005 0.000 0.830 49 D CB -0.355 40.447 40.800 0.003 0.000 0.959 49 D HN 0.517 nan 8.370 nan 0.000 0.452 50 E N 0.095 120.298 120.200 0.006 0.000 2.038 50 E HA -0.147 4.203 4.350 0.001 0.000 0.195 50 E C 2.351 178.956 176.600 0.009 0.000 1.000 50 E CA 0.661 57.066 56.400 0.007 0.000 0.803 50 E CB -0.065 29.639 29.700 0.008 0.000 0.750 50 E HN 0.205 nan 8.360 nan 0.000 0.448 51 L N 0.154 121.382 121.223 0.010 0.000 2.017 51 L HA -0.170 4.170 4.340 0.001 0.000 0.208 51 L C 2.654 179.532 176.870 0.012 0.000 1.073 51 L CA 1.539 56.386 54.840 0.011 0.000 0.745 51 L CB -0.692 41.375 42.059 0.013 0.000 0.894 51 L HN 0.230 nan 8.230 nan 0.000 0.432 52 T N 0.162 114.723 114.554 0.012 0.000 2.720 52 T HA -0.205 4.145 4.350 0.001 0.000 0.268 52 T C 1.969 176.675 174.700 0.010 0.000 1.037 52 T CA 1.385 63.493 62.100 0.012 0.000 1.144 52 T CB -0.280 68.595 68.868 0.012 0.000 0.864 52 T HN 0.458 nan 8.240 nan 0.000 0.444 53 A N 1.160 123.985 122.820 0.009 0.000 2.019 53 A HA 0.270 4.591 4.320 0.001 0.000 0.219 53 A C 2.334 179.923 177.584 0.008 0.000 1.164 53 A CA 1.462 53.504 52.037 0.008 0.000 0.644 53 A CB -0.648 18.356 19.000 0.007 0.000 0.805 53 A HN 0.513 nan 8.150 nan 0.000 0.449 54 A N -1.898 120.927 122.820 0.009 0.000 2.307 54 A HA 0.446 4.766 4.320 0.001 0.000 0.218 54 A C 1.592 179.181 177.584 0.009 0.000 1.228 54 A CA 1.031 53.074 52.037 0.009 0.000 0.857 54 A CB -0.833 18.173 19.000 0.009 0.000 0.897 54 A HN 1.805 nan 8.150 nan 0.000 0.495 55 G N -1.981 106.825 108.800 0.009 0.000 2.157 55 G HA2 0.109 4.069 3.960 0.001 0.000 0.239 55 G HA3 0.109 4.069 3.960 0.001 0.000 0.239 55 G C 0.431 175.337 174.900 0.011 0.000 0.982 55 G CA 0.200 45.306 45.100 0.009 0.000 0.650 55 G HN 1.526 nan 8.290 nan 0.000 0.527 56 A N -0.201 122.626 122.820 0.012 0.000 2.332 56 A HA 0.695 5.015 4.320 0.001 0.000 0.258 56 A C 0.503 178.097 177.584 0.016 0.000 1.087 56 A CA 0.549 52.594 52.037 0.014 0.000 0.802 56 A CB 0.586 19.595 19.000 0.015 0.000 1.042 56 A HN 0.648 nan 8.150 nan 0.000 0.489 57 K N 1.326 121.737 120.400 0.018 0.000 2.240 57 K HA 0.562 4.882 4.320 0.001 0.000 0.271 57 K C -1.519 175.102 176.600 0.033 0.000 1.018 57 K CA -0.277 56.023 56.287 0.022 0.000 0.874 57 K CB 0.851 33.360 32.500 0.016 0.000 1.098 57 K HN 0.423 nan 8.250 nan 0.000 0.458 58 V N 3.555 123.496 119.914 0.046 0.000 2.709 58 V HA 0.270 4.391 4.120 0.001 0.000 0.308 58 V C -1.271 174.889 176.094 0.110 0.000 1.062 58 V CA -0.968 61.368 62.300 0.060 0.000 0.901 58 V CB 1.566 33.410 31.823 0.034 0.000 1.003 58 V HN 0.815 nan 8.190 nan 0.000 0.425 59 H N 2.592 121.660 119.070 -0.004 0.000 2.727 59 H HA 0.659 5.215 4.556 0.000 0.000 0.330 59 H C -1.092 174.234 175.328 -0.004 0.000 0.986 59 H CA -0.404 55.641 56.048 -0.006 0.000 1.251 59 H CB 1.680 31.436 29.762 -0.011 0.000 1.493 59 H HN 0.416 nan 8.280 nan 0.000 0.515 60 V N 7.384 127.098 119.914 -0.334 0.000 2.461 60 V HA 0.203 4.323 4.120 0.001 0.000 0.275 60 V C -0.024 175.844 176.094 -0.376 0.000 1.047 60 V CA -0.417 61.729 62.300 -0.258 0.000 0.955 60 V CB 0.789 32.529 31.823 -0.140 0.000 0.988 60 V HN 0.652 nan 8.190 nan 0.000 0.471 61 L N 4.803 125.893 121.223 -0.221 0.000 2.345 61 L HA 0.468 4.808 4.340 0.001 0.000 0.274 61 L C 0.245 177.068 176.870 -0.079 0.000 0.999 61 L CA -0.244 54.502 54.840 -0.157 0.000 0.849 61 L CB 1.626 43.634 42.059 -0.086 0.000 1.220 61 L HN 0.652 nan 8.230 nan 0.000 0.422 62 E N 4.386 124.546 120.200 -0.067 0.000 2.166 62 E HA 0.360 4.711 4.350 0.001 0.000 0.279 62 E C -1.340 175.246 176.600 -0.022 0.000 1.095 62 E CA -0.385 55.993 56.400 -0.037 0.000 0.888 62 E CB 0.841 30.522 29.700 -0.031 0.000 1.041 62 E HN 0.384 nan 8.360 nan 0.000 0.414 63 L N 4.820 126.035 121.223 -0.013 0.000 2.513 63 L HA 0.352 4.692 4.340 0.001 0.000 0.261 63 L C -1.759 175.113 176.870 0.003 0.000 0.945 63 L CA -0.656 54.183 54.840 -0.002 0.000 0.848 63 L CB 2.162 44.223 42.059 0.004 0.000 1.334 63 L HN 0.447 nan 8.230 nan 0.000 0.407 64 D N 2.831 123.236 120.400 0.009 0.000 2.329 64 D HA 0.260 4.901 4.640 0.001 0.000 0.232 64 D C 1.114 177.434 176.300 0.033 0.000 1.088 64 D CA -0.094 53.915 54.000 0.015 0.000 0.835 64 D CB 1.728 42.536 40.800 0.013 0.000 1.078 64 D HN 0.458 nan 8.370 nan 0.000 0.495 65 V N 2.729 122.665 119.914 0.036 0.000 2.867 65 V HA -0.066 4.054 4.120 0.001 0.000 0.260 65 V C 1.855 178.018 176.094 0.115 0.000 1.099 65 V CA 1.603 63.941 62.300 0.063 0.000 1.122 65 V CB -1.021 30.826 31.823 0.040 0.000 0.708 65 V HN 0.505 nan 8.190 nan 0.000 0.490 66 A N 0.403 123.277 122.820 0.090 0.000 2.168 66 A HA -0.032 4.288 4.320 0.001 0.000 0.215 66 A C 1.288 178.980 177.584 0.179 0.000 1.152 66 A CA 1.032 53.145 52.037 0.128 0.000 0.716 66 A CB -0.552 18.488 19.000 0.066 0.000 0.794 66 A HN 0.604 nan 8.150 nan 0.000 0.465 67 D N -0.092 120.371 120.400 0.105 0.000 2.441 67 D HA 0.151 4.791 4.640 0.001 0.000 0.221 67 D C 1.261 177.545 176.300 -0.026 0.000 1.156 67 D CA -0.367 53.657 54.000 0.040 0.000 0.896 67 D CB 0.206 41.017 40.800 0.017 0.000 1.028 67 D HN 0.305 nan 8.370 nan 0.000 0.509 68 R N 2.819 123.217 120.500 -0.169 0.000 2.113 68 R HA -0.250 4.090 4.340 0.001 0.000 0.244 68 R C 1.487 177.636 176.300 -0.253 0.000 1.142 68 R CA 1.796 57.590 56.100 -0.510 0.000 0.953 68 R CB 0.108 29.907 30.300 -0.835 0.000 0.860 68 R HN 0.554 nan 8.270 nan 0.000 0.438 69 Q N -1.045 118.663 119.800 -0.153 0.000 2.124 69 Q HA -0.088 4.252 4.340 0.001 0.000 0.202 69 Q C 2.132 178.102 176.000 -0.050 0.000 0.977 69 Q CA 1.349 57.100 55.803 -0.087 0.000 0.850 69 Q CB -0.174 28.529 28.738 -0.059 0.000 0.901 69 Q HN 0.597 nan 8.270 nan 0.000 0.429 70 G N 0.372 109.150 108.800 -0.036 0.000 2.418 70 G HA2 -0.229 3.732 3.960 0.001 0.000 0.217 70 G HA3 -0.229 3.732 3.960 0.001 0.000 0.217 70 G C 1.521 176.419 174.900 -0.003 0.000 1.158 70 G CA 0.819 45.912 45.100 -0.012 0.000 0.771 70 G HN 0.196 nan 8.290 nan 0.000 0.545 71 V N 1.421 121.332 119.914 -0.005 0.000 2.255 71 V HA -0.195 3.925 4.120 0.001 0.000 0.247 71 V C 2.645 178.748 176.094 0.015 0.000 1.051 71 V CA 2.325 64.636 62.300 0.018 0.000 1.018 71 V CB -0.417 31.431 31.823 0.042 0.000 0.641 71 V HN 0.318 nan 8.190 nan 0.000 0.445 72 D N 0.257 120.652 120.400 -0.008 0.000 2.123 72 D HA -0.161 4.480 4.640 0.001 0.000 0.196 72 D C 2.210 178.521 176.300 0.018 0.000 0.992 72 D CA 1.745 55.750 54.000 0.008 0.000 0.833 72 D CB -0.345 40.448 40.800 -0.013 0.000 0.954 72 D HN 0.463 nan 8.370 nan 0.000 0.455 73 A N 1.116 123.941 122.820 0.009 0.000 1.933 73 A HA -0.052 4.269 4.320 0.001 0.000 0.218 73 A C 2.334 179.936 177.584 0.029 0.000 1.175 73 A CA 2.218 54.265 52.037 0.016 0.000 0.628 73 A CB -0.616 18.390 19.000 0.010 0.000 0.814 73 A HN 0.249 nan 8.150 nan 0.000 0.444 74 A N -0.586 122.252 122.820 0.030 0.000 1.898 74 A HA 0.033 4.353 4.320 0.001 0.000 0.216 74 A C 2.224 179.833 177.584 0.041 0.000 1.181 74 A CA 1.691 53.755 52.037 0.045 0.000 0.620 74 A CB -0.899 18.122 19.000 0.035 0.000 0.819 74 A HN 0.371 nan 8.150 nan 0.000 0.442 75 V N -0.033 119.893 119.914 0.019 0.000 2.295 75 V HA -0.266 3.854 4.120 0.001 0.000 0.246 75 V C 3.071 179.116 176.094 -0.081 0.000 1.049 75 V CA 2.015 64.299 62.300 -0.027 0.000 1.024 75 V CB -1.293 30.538 31.823 0.013 0.000 0.648 75 V HN 0.614 nan 8.190 nan 0.000 0.447 76 A N -0.828 121.979 122.820 -0.021 0.000 1.902 76 A HA -0.251 4.069 4.320 0.001 0.000 0.217 76 A C 2.552 180.112 177.584 -0.041 0.000 1.181 76 A CA 2.291 54.315 52.037 -0.021 0.000 0.623 76 A CB -0.882 18.130 19.000 0.019 0.000 0.818 76 A HN 0.464 nan 8.150 nan 0.000 0.443 77 S N -1.078 114.623 115.700 0.002 0.000 2.370 77 S HA -0.147 4.324 4.470 0.001 0.000 0.226 77 S C 2.073 176.589 174.600 -0.139 0.000 1.033 77 S CA 2.179 60.397 58.200 0.028 0.000 1.011 77 S CB -0.526 62.800 63.200 0.210 0.000 0.852 77 S HN 0.670 nan 8.310 nan 0.000 0.457 78 T N 1.337 115.838 114.554 -0.090 0.000 2.737 78 T HA -0.033 4.317 4.350 0.001 0.000 0.265 78 T C 1.830 176.395 174.700 -0.225 0.000 1.038 78 T CA 1.504 63.501 62.100 -0.172 0.000 1.144 78 T CB -0.421 68.428 68.868 -0.033 0.000 0.866 78 T HN 0.268 nan 8.240 nan 0.000 0.434 79 V N 1.552 121.339 119.914 -0.211 0.000 2.515 79 V HA -0.086 4.034 4.120 0.001 0.000 0.250 79 V C 2.640 178.652 176.094 -0.137 0.000 1.058 79 V CA 1.347 63.526 62.300 -0.200 0.000 1.064 79 V CB -0.478 31.162 31.823 -0.305 0.000 0.675 79 V HN 0.435 nan 8.190 nan 0.000 0.461 80 E N 0.586 120.704 120.200 -0.137 0.000 2.072 80 E HA -0.141 4.210 4.350 0.001 0.000 0.190 80 E C 2.264 178.779 176.600 -0.141 0.000 0.982 80 E CA 1.462 57.798 56.400 -0.106 0.000 0.803 80 E CB -0.020 29.635 29.700 -0.076 0.000 0.755 80 E HN 0.520 nan 8.360 nan 0.000 0.453 81 A N 0.551 123.218 122.820 -0.255 0.000 1.930 81 A HA -0.005 4.316 4.320 0.001 0.000 0.215 81 A C 2.144 179.614 177.584 -0.191 0.000 1.176 81 A CA 0.790 52.655 52.037 -0.286 0.000 0.632 81 A CB -0.163 18.447 19.000 -0.649 0.000 0.819 81 A HN 0.262 nan 8.150 nan 0.000 0.445 82 L N -2.468 118.645 121.223 -0.184 0.000 2.731 82 L HA 0.325 4.666 4.340 0.001 0.000 0.240 82 L C 1.629 178.456 176.870 -0.071 0.000 1.120 82 L CA 0.544 55.320 54.840 -0.105 0.000 0.913 82 L CB 0.424 42.430 42.059 -0.089 0.000 1.213 82 L HN 0.554 nan 8.230 nan 0.000 0.515 83 G N -0.092 108.663 108.800 -0.075 0.000 2.279 83 G HA2 -0.132 3.829 3.960 0.001 0.000 0.223 83 G HA3 -0.132 3.829 3.960 0.001 0.000 0.223 83 G C 0.428 175.308 174.900 -0.032 0.000 1.015 83 G CA -0.209 44.865 45.100 -0.044 0.000 0.621 83 G HN 0.672 nan 8.290 nan 0.000 0.506 84 G N -1.328 107.443 108.800 -0.048 0.000 2.335 84 G HA2 0.615 4.575 3.960 0.001 0.000 0.291 84 G HA3 0.615 4.575 3.960 0.001 0.000 0.291 84 G C -2.288 172.578 174.900 -0.056 0.000 1.261 84 G CA 0.149 45.231 45.100 -0.030 0.000 0.871 84 G HN 1.404 nan 8.290 nan 0.000 0.491 85 L N 0.371 121.585 121.223 -0.014 0.000 2.470 85 L HA 0.673 5.013 4.340 0.001 0.000 0.268 85 L C -0.406 176.484 176.870 0.032 0.000 0.964 85 L CA -0.494 54.342 54.840 -0.007 0.000 0.839 85 L CB 2.011 44.052 42.059 -0.030 0.000 1.276 85 L HN 0.644 nan 8.230 nan 0.000 0.403 86 D N 4.316 124.730 120.400 0.023 0.000 2.470 86 D HA 0.333 4.974 4.640 0.001 0.000 0.238 86 D C -0.071 176.248 176.300 0.032 0.000 1.054 86 D CA 0.837 54.854 54.000 0.028 0.000 0.896 86 D CB 1.410 42.220 40.800 0.017 0.000 1.118 86 D HN 0.317 nan 8.370 nan 0.000 0.497 87 I N 1.689 122.276 120.570 0.028 0.000 2.534 87 I HA 0.224 4.394 4.170 0.001 0.000 0.288 87 I C -1.404 174.732 176.117 0.031 0.000 1.077 87 I CA -0.932 60.386 61.300 0.029 0.000 1.051 87 I CB 2.994 41.007 38.000 0.020 0.000 1.234 87 I HN -0.199 nan 8.210 nan 0.000 0.425 88 L N 8.083 129.329 121.223 0.038 0.000 2.341 88 L HA 0.672 5.012 4.340 0.001 0.000 0.278 88 L C -1.100 175.792 176.870 0.037 0.000 1.005 88 L CA -0.407 54.458 54.840 0.041 0.000 0.818 88 L CB 1.831 43.923 42.059 0.055 0.000 1.259 88 L HN 0.334 nan 8.230 nan 0.000 0.418 89 V N 5.082 125.015 119.914 0.032 0.000 2.304 89 V HA 0.417 4.537 4.120 0.001 0.000 0.278 89 V C -0.141 175.970 176.094 0.028 0.000 1.018 89 V CA -0.670 61.647 62.300 0.028 0.000 0.814 89 V CB 0.950 32.788 31.823 0.024 0.000 1.021 89 V HN 0.716 nan 8.190 nan 0.000 0.440 90 N N 4.667 123.383 118.700 0.028 0.000 2.739 90 N HA 0.092 4.832 4.740 0.001 0.000 0.266 90 N C 0.896 176.414 175.510 0.013 0.000 1.168 90 N CA 0.132 53.195 53.050 0.021 0.000 1.055 90 N CB 0.455 38.955 38.487 0.022 0.000 1.393 90 N HN 0.736 nan 8.380 nan 0.000 0.514 91 N N 0.988 119.698 118.700 0.016 0.000 2.407 91 N HA -0.001 4.740 4.740 0.001 0.000 0.182 91 N C 0.097 175.620 175.510 0.021 0.000 1.079 91 N CA -0.152 52.909 53.050 0.019 0.000 0.882 91 N CB 0.441 38.943 38.487 0.025 0.000 1.106 91 N HN 0.270 nan 8.380 nan 0.000 0.461 92 A N 0.648 123.477 122.820 0.015 0.000 2.584 92 A HA 0.445 4.765 4.320 0.001 0.000 0.239 92 A C 0.590 178.182 177.584 0.012 0.000 1.043 92 A CA 0.936 52.980 52.037 0.011 0.000 0.756 92 A CB -0.485 18.519 19.000 0.005 0.000 0.963 92 A HN 0.489 nan 8.150 nan 0.000 0.511 93 G N 0.734 109.545 108.800 0.018 0.000 2.489 93 G HA2 0.583 4.543 3.960 0.001 0.000 0.291 93 G HA3 0.583 4.543 3.960 0.001 0.000 0.291 93 G C -0.811 174.110 174.900 0.035 0.000 1.487 93 G CA -0.137 44.986 45.100 0.039 0.000 0.795 93 G HN 1.547 nan 8.290 nan 0.000 0.513 97 L N 2.129 123.291 121.223 -0.103 0.000 2.421 97 L HA 0.998 5.338 4.340 0.001 0.000 0.263 97 L C 0.801 177.670 176.870 -0.002 0.000 1.122 97 L CA -0.426 54.370 54.840 -0.074 0.000 0.804 97 L CB 1.504 43.469 42.059 -0.157 0.000 1.150 97 L HN 0.715 nan 8.230 nan 0.000 0.457 98 G N 1.055 109.836 108.800 -0.032 0.000 2.358 98 G HA2 0.214 4.174 3.960 0.001 0.000 0.303 98 G HA3 0.214 4.174 3.960 0.001 0.000 0.303 98 G C -3.244 171.563 174.900 -0.155 0.000 1.537 98 G CA -0.849 44.137 45.100 -0.190 0.000 0.928 98 G HN 0.317 nan 8.290 nan 0.000 0.656 99 P HA 0.262 nan 4.420 nan 0.000 0.272 99 P C 1.228 178.539 177.300 0.017 0.000 1.240 99 P CA -0.279 62.761 63.100 -0.100 0.000 0.791 99 P CB 1.211 32.842 31.700 -0.115 0.000 0.978 100 V N 0.137 120.101 119.914 0.082 0.000 2.358 100 V HA -0.160 3.960 4.120 0.001 0.000 0.246 100 V C 1.450 177.655 176.094 0.185 0.000 1.047 100 V CA 1.459 63.888 62.300 0.216 0.000 1.035 100 V CB -1.131 30.771 31.823 0.130 0.000 0.658 100 V HN 0.668 nan 8.190 nan 0.000 0.452 101 E N 0.724 120.974 120.200 0.084 0.000 2.493 101 E HA -0.126 4.224 4.350 0.001 0.000 0.255 101 E C 0.191 176.809 176.600 0.030 0.000 0.999 101 E CA 0.369 56.802 56.400 0.055 0.000 0.934 101 E CB -0.221 29.499 29.700 0.034 0.000 0.940 101 E HN 0.512 nan 8.360 nan 0.000 0.473 102 D N 1.727 122.137 120.400 0.016 0.000 2.811 102 D HA -0.241 4.399 4.640 0.001 0.000 0.231 102 D C -0.678 175.589 176.300 -0.054 0.000 1.157 102 D CA 0.767 54.755 54.000 -0.019 0.000 0.716 102 D CB -0.622 40.181 40.800 0.004 0.000 1.077 102 D HN 0.589 nan 8.370 nan 0.000 0.428 103 A N 0.630 123.397 122.820 -0.087 0.000 2.483 103 A HA 0.247 4.567 4.320 0.001 0.000 0.238 103 A C 0.476 177.873 177.584 -0.312 0.000 1.070 103 A CA 0.055 51.996 52.037 -0.160 0.000 0.770 103 A CB 0.490 19.438 19.000 -0.088 0.000 1.008 103 A HN 0.252 nan 8.150 nan 0.000 0.497 104 D N 1.793 122.053 120.400 -0.234 0.000 2.348 104 D HA 0.092 4.732 4.640 0.001 0.000 0.259 104 D C 1.603 177.622 176.300 -0.469 0.000 1.296 104 D CA 0.693 54.543 54.000 -0.251 0.000 0.931 104 D CB 0.460 41.195 40.800 -0.109 0.000 1.067 104 D HN 0.546 nan 8.370 nan 0.000 0.503 105 T N -0.259 113.924 114.554 -0.619 0.000 3.098 105 T HA -0.172 4.178 4.350 0.001 0.000 0.266 105 T C 1.722 176.213 174.700 -0.348 0.000 1.145 105 T CA 1.306 62.880 62.100 -0.876 0.000 1.092 105 T CB -0.489 67.930 68.868 -0.749 0.000 0.908 105 T HN 0.413 nan 8.240 nan 0.000 0.526 106 T N -0.530 113.902 114.554 -0.204 0.000 2.962 106 T HA -0.098 4.253 4.350 0.001 0.000 0.270 106 T C 1.463 176.157 174.700 -0.010 0.000 1.088 106 T CA 1.020 63.078 62.100 -0.070 0.000 1.127 106 T CB -0.521 68.316 68.868 -0.052 0.000 0.883 106 T HN 0.219 nan 8.240 nan 0.000 0.493 107 D N 0.672 121.055 120.400 -0.029 0.000 2.133 107 D HA -0.078 4.562 4.640 0.001 0.000 0.195 107 D C 1.593 178.043 176.300 0.249 0.000 0.997 107 D CA 1.063 55.119 54.000 0.093 0.000 0.840 107 D CB -0.313 40.564 40.800 0.127 0.000 0.947 107 D HN 0.537 nan 8.370 nan 0.000 0.452 108 W N 0.979 122.280 121.300 0.002 0.000 2.407 108 W HA -0.050 4.610 4.660 0.000 0.000 0.305 108 W C 2.646 179.164 176.519 -0.003 0.000 1.196 108 W CA 1.648 58.994 57.345 0.002 0.000 1.311 108 W CB -1.698 27.761 29.460 -0.003 0.000 1.135 108 W HN 0.079 nan 8.180 nan 0.000 0.514 109 T N -0.932 113.765 114.554 0.239 0.000 2.821 109 T HA -0.043 4.307 4.350 0.001 0.000 0.267 109 T C 1.299 176.048 174.700 0.083 0.000 1.046 109 T CA 0.498 62.676 62.100 0.129 0.000 1.139 109 T CB -0.271 68.647 68.868 0.084 0.000 0.871 109 T HN -0.076 nan 8.240 nan 0.000 0.454 113 D N 1.336 121.722 120.400 -0.023 0.000 2.117 113 D HA -0.101 4.539 4.640 0.001 0.000 0.197 113 D C 1.887 178.156 176.300 -0.051 0.000 0.987 113 D CA 2.194 56.173 54.000 -0.035 0.000 0.829 113 D CB -0.020 40.785 40.800 0.008 0.000 0.961 113 D HN 0.310 nan 8.370 nan 0.000 0.460 114 T N 0.644 115.181 114.554 -0.029 0.000 2.781 114 T HA -0.032 4.319 4.350 0.001 0.000 0.252 114 T C 1.612 176.282 174.700 -0.050 0.000 1.039 114 T CA 0.665 62.749 62.100 -0.027 0.000 1.147 114 T CB -0.183 68.679 68.868 -0.011 0.000 0.865 114 T HN -0.001 nan 8.240 nan 0.000 0.423 115 N N 0.927 119.603 118.700 -0.040 0.000 2.188 115 N HA 0.056 4.796 4.740 0.001 0.000 0.184 115 N C 1.460 176.899 175.510 -0.119 0.000 1.018 115 N CA 0.645 53.663 53.050 -0.054 0.000 0.858 115 N CB -0.238 38.234 38.487 -0.025 0.000 0.989 115 N HN 0.165 nan 8.380 nan 0.000 0.426 116 L N -0.772 120.360 121.223 -0.151 0.000 2.546 116 L HA 0.249 4.589 4.340 0.001 0.000 0.182 116 L C 1.685 178.353 176.870 -0.336 0.000 1.167 116 L CA 0.481 55.185 54.840 -0.227 0.000 0.845 116 L CB -1.001 40.948 42.059 -0.184 0.000 1.134 116 L HN -0.071 nan 8.230 nan 0.000 0.500 117 L N 0.316 121.334 121.223 -0.342 0.000 2.012 117 L HA -0.035 4.305 4.340 0.001 0.000 0.210 117 L C 2.318 178.785 176.870 -0.673 0.000 1.073 117 L CA 2.231 56.726 54.840 -0.575 0.000 0.748 117 L CB -1.585 40.165 42.059 -0.516 0.000 0.891 117 L HN 0.422 nan 8.230 nan 0.000 0.431 118 G N -0.591 108.011 108.800 -0.331 0.000 2.491 118 G HA2 -0.256 3.704 3.960 0.001 0.000 0.218 118 G HA3 -0.256 3.704 3.960 0.001 0.000 0.218 118 G C 1.118 175.955 174.900 -0.105 0.000 1.180 118 G CA 0.856 45.884 45.100 -0.119 0.000 0.774 118 G HN 0.362 nan 8.290 nan 0.000 0.562 124 R N 1.647 122.268 120.500 0.201 0.000 2.081 124 R HA 0.078 4.419 4.340 0.001 0.000 0.235 124 R C 2.386 178.765 176.300 0.131 0.000 1.131 124 R CA 1.875 58.077 56.100 0.171 0.000 0.960 124 R CB -0.392 30.024 30.300 0.192 0.000 0.856 124 R HN 0.376 nan 8.270 nan 0.000 0.436 125 A N 0.522 123.422 122.820 0.134 0.000 1.898 125 A HA -0.019 4.301 4.320 0.001 0.000 0.216 125 A C 2.274 179.964 177.584 0.176 0.000 1.181 125 A CA 1.472 53.584 52.037 0.126 0.000 0.620 125 A CB -0.568 18.495 19.000 0.105 0.000 0.819 125 A HN 0.520 nan 8.150 nan 0.000 0.442 126 A N -0.826 122.094 122.820 0.167 0.000 2.014 126 A HA 0.120 4.440 4.320 0.001 0.000 0.218 126 A C 1.999 179.697 177.584 0.190 0.000 1.163 126 A CA 1.337 53.495 52.037 0.201 0.000 0.652 126 A CB -0.477 18.599 19.000 0.127 0.000 0.808 126 A HN 0.528 nan 8.150 nan 0.000 0.449 127 L N 0.586 121.883 121.223 0.122 0.000 2.042 127 L HA -0.072 4.269 4.340 0.001 0.000 0.210 127 L C -0.839 176.044 176.870 0.022 0.000 1.076 127 L CA 2.352 57.236 54.840 0.073 0.000 0.749 127 L CB -1.151 40.945 42.059 0.062 0.000 0.893 127 L HN 0.172 nan 8.230 nan 0.000 0.432 128 P HA -0.143 nan 4.420 nan 0.000 0.218 128 P C 1.255 178.435 177.300 -0.201 0.000 1.149 128 P CA 1.525 64.529 63.100 -0.159 0.000 0.817 128 P CB -0.222 31.312 31.700 -0.276 0.000 0.785 129 H N -0.936 118.144 119.070 0.017 0.000 2.363 129 H HA 0.063 4.619 4.556 0.001 0.000 0.301 129 H C 2.043 177.380 175.328 0.014 0.000 1.074 129 H CA 0.994 57.050 56.048 0.013 0.000 1.354 129 H CB -0.771 28.999 29.762 0.013 0.000 1.397 129 H HN 0.152 nan 8.280 nan 0.000 0.516 130 L N 0.498 121.800 121.223 0.132 0.000 2.093 130 L HA -0.149 4.192 4.340 0.001 0.000 0.208 130 L C 2.621 179.523 176.870 0.052 0.000 1.085 130 L CA 0.585 55.475 54.840 0.084 0.000 0.755 130 L CB -0.434 41.673 42.059 0.080 0.000 0.904 130 L HN 0.138 nan 8.230 nan 0.000 0.435 131 L N -0.532 120.709 121.223 0.031 0.000 2.017 131 L HA -0.217 4.124 4.340 0.001 0.000 0.208 131 L C 2.883 179.758 176.870 0.007 0.000 1.073 131 L CA 1.381 56.230 54.840 0.014 0.000 0.745 131 L CB -0.470 41.586 42.059 -0.006 0.000 0.894 131 L HN 0.201 nan 8.230 nan 0.000 0.432 132 R N -0.268 120.234 120.500 0.003 0.000 2.096 132 R HA -0.124 4.216 4.340 0.001 0.000 0.235 132 R C 2.301 178.604 176.300 0.005 0.000 1.127 132 R CA 1.731 57.832 56.100 0.001 0.000 0.968 132 R CB -0.372 29.931 30.300 0.006 0.000 0.861 132 R HN 0.457 nan 8.270 nan 0.000 0.440 133 S N 0.099 115.811 115.700 0.020 0.000 2.575 133 S HA 0.109 4.579 4.470 0.001 0.000 0.215 133 S C 0.286 174.878 174.600 -0.013 0.000 0.966 133 S CA -0.286 57.918 58.200 0.007 0.000 0.911 133 S CB 0.154 63.369 63.200 0.025 0.000 0.780 133 S HN 0.158 nan 8.310 nan 0.000 0.514 134 K N 1.324 121.723 120.400 -0.001 0.000 3.278 134 K HA -0.127 4.193 4.320 0.001 0.000 0.270 134 K C 0.623 177.269 176.600 0.077 0.000 0.955 134 K CA 0.247 56.546 56.287 0.019 0.000 0.723 134 K CB -2.030 30.390 32.500 -0.133 0.000 1.382 134 K HN 0.651 nan 8.250 nan 0.000 0.461 135 G N -0.047 108.797 108.800 0.074 0.000 2.510 135 G HA2 0.504 4.465 3.960 0.001 0.000 0.280 135 G HA3 0.504 4.465 3.960 0.001 0.000 0.280 135 G C -0.442 174.505 174.900 0.078 0.000 1.386 135 G CA -0.313 44.829 45.100 0.071 0.000 1.047 135 G HN 0.119 nan 8.290 nan 0.000 0.527 136 T N -0.661 113.926 114.554 0.056 0.000 2.848 136 T HA 0.441 4.791 4.350 0.001 0.000 0.285 136 T C -0.969 173.754 174.700 0.039 0.000 0.995 136 T CA -0.299 61.825 62.100 0.040 0.000 0.970 136 T CB 1.792 70.673 68.868 0.021 0.000 0.976 136 T HN 0.508 nan 8.240 nan 0.000 0.441 137 V N 4.634 124.573 119.914 0.042 0.000 2.398 137 V HA 0.673 4.793 4.120 0.001 0.000 0.286 137 V C -0.807 175.309 176.094 0.037 0.000 1.026 137 V CA -0.398 61.931 62.300 0.049 0.000 0.868 137 V CB 1.157 33.021 31.823 0.069 0.000 0.982 137 V HN 0.716 nan 8.190 nan 0.000 0.443 138 V N 7.948 127.880 119.914 0.030 0.000 2.357 138 V HA 0.517 4.638 4.120 0.001 0.000 0.284 138 V C 0.060 176.164 176.094 0.017 0.000 1.018 138 V CA -0.624 61.685 62.300 0.014 0.000 0.841 138 V CB 1.230 33.059 31.823 0.010 0.000 0.991 138 V HN 0.916 nan 8.190 nan 0.000 0.437 142 S N -0.594 115.010 115.700 -0.160 0.000 2.611 142 S HA 0.449 4.919 4.470 0.001 0.000 0.270 142 S C 0.343 174.844 174.600 -0.166 0.000 1.131 142 S CA 0.036 58.182 58.200 -0.089 0.000 0.826 142 S CB 0.716 63.861 63.200 -0.092 0.000 1.095 142 S HN 0.993 nan 8.310 nan 0.000 0.461 143 I N 2.864 123.431 120.570 -0.005 0.000 2.315 143 I HA -0.119 4.052 4.170 0.001 0.000 0.251 143 I C 2.105 178.164 176.117 -0.096 0.000 1.125 143 I CA 2.346 63.654 61.300 0.013 0.000 1.392 143 I CB -0.323 37.859 38.000 0.304 0.000 1.065 143 I HN 0.761 nan 8.210 nan 0.000 0.424 144 A N 0.180 122.973 122.820 -0.046 0.000 2.178 144 A HA -0.045 4.275 4.320 0.001 0.000 0.218 144 A C 2.137 179.585 177.584 -0.227 0.000 1.157 144 A CA 1.292 53.298 52.037 -0.051 0.000 0.689 144 A CB -1.189 17.764 19.000 -0.079 0.000 0.787 144 A HN 0.565 nan 8.150 nan 0.000 0.465 145 G N -1.902 106.604 108.800 -0.491 0.000 2.985 145 G HA2 0.115 4.076 3.960 0.001 0.000 0.209 145 G HA3 0.115 4.076 3.960 0.001 0.000 0.209 145 G C 1.409 175.367 174.900 -1.570 0.000 1.165 145 G CA 0.058 44.605 45.100 -0.922 0.000 0.776 145 G HN 0.357 nan 8.290 nan 0.000 0.541 146 R N -1.087 118.806 120.500 -1.011 0.000 2.492 146 R HA 0.268 4.608 4.340 0.001 0.000 0.219 146 R C -0.425 175.798 176.300 -0.127 0.000 0.886 146 R CA 0.218 55.897 56.100 -0.701 0.000 1.003 146 R CB 0.974 30.796 30.300 -0.798 0.000 1.345 146 R HN 0.168 nan 8.270 nan 0.000 0.631 147 V N 2.767 122.703 119.914 0.035 0.000 2.638 147 V HA 0.361 4.481 4.120 0.001 0.000 0.306 147 V C -0.858 175.394 176.094 0.263 0.000 1.052 147 V CA -1.079 61.342 62.300 0.201 0.000 0.885 147 V CB 2.529 34.457 31.823 0.176 0.000 0.999 147 V HN 0.094 nan 8.190 nan 0.000 0.424 148 N N 3.213 122.044 118.700 0.217 0.000 2.425 148 N HA 0.605 5.346 4.740 0.001 0.000 0.268 148 N C -0.439 175.131 175.510 0.100 0.000 0.991 148 N CA -0.114 53.018 53.050 0.136 0.000 0.931 148 N CB 2.322 40.821 38.487 0.021 0.000 1.130 148 N HN 0.629 nan 8.380 nan 0.000 0.493 149 V N 0.211 120.188 119.914 0.105 0.000 3.046 149 V HA 0.610 4.730 4.120 0.001 0.000 0.316 149 V C 0.461 176.598 176.094 0.071 0.000 1.104 149 V CA -1.242 61.112 62.300 0.090 0.000 1.006 149 V CB 1.738 33.630 31.823 0.115 0.000 1.058 149 V HN 0.441 nan 8.190 nan 0.000 0.440 150 R N 1.704 122.240 120.500 0.060 0.000 2.734 150 R HA 0.258 4.598 4.340 0.001 0.000 0.266 150 R C 0.419 176.749 176.300 0.050 0.000 1.044 150 R CA 0.638 56.765 56.100 0.045 0.000 1.128 150 R CB -0.138 30.187 30.300 0.041 0.000 1.010 150 R HN 0.961 nan 8.270 nan 0.000 0.461 151 N N -0.675 118.043 118.700 0.029 0.000 2.800 151 N HA -0.211 4.529 4.740 0.001 0.000 0.250 151 N C -0.579 174.945 175.510 0.025 0.000 1.078 151 N CA 1.459 54.519 53.050 0.017 0.000 0.804 151 N CB -0.971 37.528 38.487 0.020 0.000 1.135 151 N HN 0.734 nan 8.380 nan 0.000 0.565 152 A N -1.308 121.540 122.820 0.047 0.000 2.594 152 A HA 0.751 5.072 4.320 0.001 0.000 0.292 152 A C 1.593 179.221 177.584 0.074 0.000 1.026 152 A CA 0.734 52.822 52.037 0.086 0.000 0.983 152 A CB 0.206 19.297 19.000 0.151 0.000 1.233 152 A HN 0.355 nan 8.150 nan 0.000 0.519 153 A N -0.180 122.641 122.820 0.002 0.000 1.873 153 A HA -0.083 4.237 4.320 0.001 0.000 0.218 153 A C 1.949 179.457 177.584 -0.126 0.000 1.193 153 A CA 2.381 54.373 52.037 -0.075 0.000 0.629 153 A CB -0.722 18.206 19.000 -0.121 0.000 0.826 153 A HN 0.652 nan 8.150 nan 0.000 0.447 154 V N -1.701 118.108 119.914 -0.176 0.000 2.488 154 V HA -0.191 3.929 4.120 0.001 0.000 0.246 154 V C 2.313 178.383 176.094 -0.039 0.000 1.046 154 V CA 1.755 63.909 62.300 -0.244 0.000 1.053 154 V CB -1.045 30.477 31.823 -0.502 0.000 0.679 154 V HN 0.662 nan 8.190 nan 0.000 0.458 155 Y N 1.543 121.797 120.300 -0.077 0.000 2.097 155 Y HA -0.305 4.245 4.550 0.001 0.000 0.282 155 Y C 2.636 178.533 175.900 -0.004 0.000 1.152 155 Y CA 2.028 60.108 58.100 -0.033 0.000 1.136 155 Y CB -0.490 37.956 38.460 -0.023 0.000 0.975 155 Y HN 0.303 nan 8.280 nan 0.000 0.498 156 Q N -0.279 119.533 119.800 0.020 0.000 2.096 156 Q HA -0.206 4.135 4.340 0.001 0.000 0.204 156 Q C 2.526 178.562 176.000 0.059 0.000 0.982 156 Q CA 1.669 57.493 55.803 0.035 0.000 0.850 156 Q CB -0.487 28.325 28.738 0.124 0.000 0.901 156 Q HN 0.598 nan 8.270 nan 0.000 0.422 157 A N 0.979 123.766 122.820 -0.055 0.000 1.892 157 A HA -0.275 4.045 4.320 0.001 0.000 0.218 157 A C 2.358 179.910 177.584 -0.054 0.000 1.188 157 A CA 2.266 54.253 52.037 -0.084 0.000 0.631 157 A CB -1.346 17.559 19.000 -0.159 0.000 0.822 157 A HN 0.589 nan 8.150 nan 0.000 0.447 158 T N -2.600 111.896 114.554 -0.097 0.000 2.821 158 T HA -0.115 4.235 4.350 0.001 0.000 0.267 158 T C 1.821 176.440 174.700 -0.135 0.000 1.046 158 T CA 1.485 63.517 62.100 -0.114 0.000 1.139 158 T CB -0.192 68.611 68.868 -0.108 0.000 0.871 158 T HN 0.355 nan 8.240 nan 0.000 0.454 159 K N 0.387 120.668 120.400 -0.199 0.000 2.076 159 K HA 0.160 4.481 4.320 0.001 0.000 0.204 159 K C 1.976 178.482 176.600 -0.157 0.000 1.051 159 K CA 0.696 56.839 56.287 -0.240 0.000 0.949 159 K CB -0.724 31.524 32.500 -0.419 0.000 0.726 159 K HN 0.421 nan 8.250 nan 0.000 0.443 160 F N 1.375 121.220 119.950 -0.174 0.000 2.161 160 F HA -0.136 4.391 4.527 0.001 0.000 0.300 160 F C 2.465 178.214 175.800 -0.085 0.000 1.089 160 F CA 1.558 59.485 58.000 -0.122 0.000 1.282 160 F CB -0.876 38.059 39.000 -0.108 0.000 1.010 160 F HN 0.163 nan 8.300 nan 0.000 0.485 161 G N -0.291 108.564 108.800 0.091 0.000 2.421 161 G HA2 -0.208 3.752 3.960 0.001 0.000 0.216 161 G HA3 -0.208 3.752 3.960 0.001 0.000 0.216 161 G C 1.846 176.770 174.900 0.040 0.000 1.171 161 G CA 1.141 46.266 45.100 0.040 0.000 0.775 161 G HN 0.237 nan 8.290 nan 0.000 0.543 162 V N 1.617 121.519 119.914 -0.021 0.000 2.332 162 V HA -0.245 3.875 4.120 0.001 0.000 0.248 162 V C 2.727 178.857 176.094 0.060 0.000 1.055 162 V CA 2.156 64.455 62.300 -0.002 0.000 1.038 162 V CB -0.583 31.195 31.823 -0.075 0.000 0.651 162 V HN 0.315 nan 8.190 nan 0.000 0.450 163 N N 0.497 119.183 118.700 -0.024 0.000 2.084 163 N HA -0.115 4.625 4.740 0.001 0.000 0.190 163 N C 1.851 177.387 175.510 0.044 0.000 1.030 163 N CA 1.747 54.772 53.050 -0.042 0.000 0.849 163 N CB -0.673 37.717 38.487 -0.162 0.000 1.012 163 N HN 0.490 nan 8.380 nan 0.000 0.423 164 A N 0.344 123.207 122.820 0.072 0.000 1.873 164 A HA -0.107 4.213 4.320 0.001 0.000 0.215 164 A C 2.138 179.784 177.584 0.104 0.000 1.186 164 A CA 1.031 53.118 52.037 0.084 0.000 0.616 164 A CB -1.088 17.965 19.000 0.087 0.000 0.823 164 A HN 0.311 nan 8.150 nan 0.000 0.442 165 F N 1.599 121.547 119.950 -0.004 0.000 2.091 165 F HA -0.233 4.294 4.527 0.000 0.000 0.299 165 F C 2.494 178.301 175.800 0.012 0.000 1.103 165 F CA 2.180 60.177 58.000 -0.005 0.000 1.228 165 F CB -0.301 38.687 39.000 -0.020 0.000 0.984 165 F HN 0.205 nan 8.300 nan 0.000 0.477 166 S N -0.411 115.360 115.700 0.119 0.000 2.387 166 S HA -0.181 4.289 4.470 0.001 0.000 0.226 166 S C 1.773 176.416 174.600 0.072 0.000 1.026 166 S CA 1.149 59.384 58.200 0.059 0.000 0.972 166 S CB -0.377 62.902 63.200 0.132 0.000 0.814 166 S HN 0.515 nan 8.310 nan 0.000 0.477 167 E N 1.862 122.127 120.200 0.108 0.000 2.077 167 E HA -0.116 4.234 4.350 0.001 0.000 0.193 167 E C 1.870 178.417 176.600 -0.089 0.000 0.989 167 E CA 1.902 58.329 56.400 0.045 0.000 0.800 167 E CB -0.814 28.934 29.700 0.080 0.000 0.746 167 E HN 0.402 nan 8.360 nan 0.000 0.452 168 T N 1.233 115.723 114.554 -0.106 0.000 2.708 168 T HA -0.141 4.210 4.350 0.001 0.000 0.266 168 T C 1.760 176.337 174.700 -0.205 0.000 1.037 168 T CA 1.234 63.246 62.100 -0.147 0.000 1.146 168 T CB -0.484 68.298 68.868 -0.143 0.000 0.865 168 T HN 0.178 nan 8.240 nan 0.000 0.435 169 L N 1.554 122.587 121.223 -0.317 0.000 2.013 169 L HA -0.106 4.234 4.340 0.001 0.000 0.212 169 L C 2.572 179.344 176.870 -0.165 0.000 1.073 169 L CA 1.846 56.503 54.840 -0.305 0.000 0.753 169 L CB -0.513 41.302 42.059 -0.406 0.000 0.890 169 L HN 0.090 nan 8.230 nan 0.000 0.432 170 R N -0.802 119.618 120.500 -0.134 0.000 2.096 170 R HA -0.237 4.103 4.340 0.001 0.000 0.240 170 R C 2.285 178.504 176.300 -0.134 0.000 1.139 170 R CA 2.284 58.303 56.100 -0.135 0.000 0.952 170 R CB -0.375 29.774 30.300 -0.251 0.000 0.854 170 R HN 0.592 nan 8.270 nan 0.000 0.436 171 Q N -0.122 119.594 119.800 -0.140 0.000 2.152 171 Q HA -0.206 4.134 4.340 0.001 0.000 0.206 171 Q C 1.942 177.890 176.000 -0.086 0.000 0.985 171 Q CA 1.984 57.722 55.803 -0.108 0.000 0.863 171 Q CB -0.030 28.649 28.738 -0.098 0.000 0.904 171 Q HN 0.544 nan 8.270 nan 0.000 0.422 172 E N -0.309 119.835 120.200 -0.093 0.000 2.158 172 E HA -0.108 4.243 4.350 0.001 0.000 0.191 172 E C 1.823 178.389 176.600 -0.057 0.000 0.982 172 E CA 1.377 57.732 56.400 -0.075 0.000 0.823 172 E CB 0.374 30.020 29.700 -0.090 0.000 0.766 172 E HN 0.336 nan 8.360 nan 0.000 0.468 173 V N -3.441 116.438 119.914 -0.059 0.000 3.604 173 V HA 0.138 4.259 4.120 0.001 0.000 0.277 173 V C 1.899 177.978 176.094 -0.025 0.000 1.399 173 V CA 0.581 62.861 62.300 -0.035 0.000 1.034 173 V CB 0.508 32.315 31.823 -0.027 0.000 0.824 173 V HN 0.034 nan 8.190 nan 0.000 0.439 174 T N 1.109 115.637 114.554 -0.043 0.000 2.833 174 T HA -0.165 4.185 4.350 0.001 0.000 0.269 174 T C 1.660 176.348 174.700 -0.022 0.000 1.054 174 T CA 2.416 64.490 62.100 -0.043 0.000 1.135 174 T CB -0.302 68.522 68.868 -0.075 0.000 0.869 174 T HN 0.742 nan 8.240 nan 0.000 0.466 175 E N 0.062 120.251 120.200 -0.018 0.000 2.268 175 E HA -0.002 4.349 4.350 0.001 0.000 0.195 175 E C 2.086 178.697 176.600 0.018 0.000 0.995 175 E CA 0.582 56.980 56.400 -0.003 0.000 0.836 175 E CB 0.044 29.738 29.700 -0.010 0.000 0.763 175 E HN 0.361 nan 8.360 nan 0.000 0.491 176 R N -0.561 119.950 120.500 0.018 0.000 2.334 176 R HA 0.103 4.444 4.340 0.001 0.000 0.220 176 R C 0.782 177.121 176.300 0.066 0.000 0.917 176 R CA 0.461 56.579 56.100 0.030 0.000 1.073 176 R CB 0.660 30.968 30.300 0.013 0.000 1.056 176 R HN 0.220 nan 8.270 nan 0.000 0.506 177 G N 0.483 109.342 108.800 0.099 0.000 2.157 177 G HA2 -0.241 3.719 3.960 0.001 0.000 0.248 177 G HA3 -0.241 3.719 3.960 0.001 0.000 0.248 177 G C 0.082 175.121 174.900 0.231 0.000 0.979 177 G CA -0.095 45.145 45.100 0.234 0.000 0.650 177 G HN 0.146 nan 8.290 nan 0.000 0.529 178 V N 2.044 122.016 119.914 0.096 0.000 2.408 178 V HA 0.398 4.518 4.120 0.001 0.000 0.267 178 V C 1.026 177.135 176.094 0.025 0.000 1.047 178 V CA -0.381 61.961 62.300 0.069 0.000 0.937 178 V CB 0.938 32.786 31.823 0.042 0.000 0.999 178 V HN 0.371 nan 8.190 nan 0.000 0.472 179 R N 3.643 124.155 120.500 0.019 0.000 2.297 179 R HA 0.565 4.905 4.340 0.001 0.000 0.308 179 R C -1.028 175.283 176.300 0.017 0.000 1.029 179 R CA -0.562 55.526 56.100 -0.020 0.000 0.929 179 R CB 1.581 31.846 30.300 -0.058 0.000 1.046 179 R HN 0.505 nan 8.270 nan 0.000 0.461 180 V N 4.328 124.269 119.914 0.045 0.000 2.347 180 V HA 0.258 4.378 4.120 0.001 0.000 0.280 180 V C -0.054 176.134 176.094 0.157 0.000 1.021 180 V CA -0.720 61.640 62.300 0.101 0.000 0.847 180 V CB 1.583 33.479 31.823 0.122 0.000 0.990 180 V HN 0.454 nan 8.190 nan 0.000 0.444 181 V N 5.745 125.685 119.914 0.044 0.000 2.459 181 V HA 0.548 4.669 4.120 0.001 0.000 0.295 181 V C -0.248 175.786 176.094 -0.100 0.000 1.029 181 V CA -0.550 61.734 62.300 -0.027 0.000 0.874 181 V CB 2.168 33.976 31.823 -0.025 0.000 0.985 181 V HN 0.603 nan 8.190 nan 0.000 0.438 182 V N 5.790 125.575 119.914 -0.214 0.000 2.444 182 V HA 0.508 4.628 4.120 0.001 0.000 0.294 182 V C -0.435 175.578 176.094 -0.136 0.000 1.022 182 V CA -0.516 61.661 62.300 -0.206 0.000 0.850 182 V CB 1.776 33.393 31.823 -0.344 0.000 0.992 182 V HN 0.582 nan 8.190 nan 0.000 0.426 183 I N 4.027 124.551 120.570 -0.076 0.000 2.377 183 I HA 0.499 4.670 4.170 0.001 0.000 0.293 183 I C 0.138 176.235 176.117 -0.034 0.000 0.987 183 I CA -0.440 60.845 61.300 -0.024 0.000 1.185 183 I CB 1.735 39.740 38.000 0.009 0.000 1.341 183 I HN 0.717 nan 8.210 nan 0.000 0.455 184 E N 7.104 127.307 120.200 0.004 0.000 2.795 184 E HA 0.329 4.680 4.350 0.001 0.000 0.226 184 E C -2.519 174.174 176.600 0.155 0.000 1.088 184 E CA -1.597 54.798 56.400 -0.007 0.000 0.812 184 E CB 1.400 30.985 29.700 -0.192 0.000 1.328 184 E HN 0.330 nan 8.360 nan 0.000 0.410 185 P HA 0.109 nan 4.420 nan 0.000 0.278 185 P C 0.336 177.745 177.300 0.182 0.000 1.238 185 P CA -0.178 63.008 63.100 0.143 0.000 0.794 185 P CB 1.153 32.913 31.700 0.101 0.000 0.955 186 G N 1.063 109.968 108.800 0.175 0.000 2.509 186 G HA2 0.222 4.182 3.960 0.001 0.000 0.269 186 G HA3 0.222 4.182 3.960 0.001 0.000 0.269 186 G C -0.597 174.382 174.900 0.132 0.000 1.416 186 G CA -0.434 44.764 45.100 0.164 0.000 1.052 186 G HN 0.406 nan 8.290 nan 0.000 0.542 187 T N 1.093 115.718 114.554 0.119 0.000 2.778 187 T HA 0.325 4.675 4.350 0.001 0.000 0.282 187 T C 0.016 174.762 174.700 0.077 0.000 0.983 187 T CA 0.655 62.821 62.100 0.109 0.000 1.193 187 T CB -0.121 68.778 68.868 0.053 0.000 0.938 187 T HN 0.417 nan 8.240 nan 0.000 0.523 188 T N 2.704 117.313 114.554 0.092 0.000 2.861 188 T HA 0.240 4.591 4.350 0.001 0.000 0.287 188 T C -0.176 174.564 174.700 0.065 0.000 1.003 188 T CA -0.852 61.289 62.100 0.069 0.000 0.977 188 T CB 1.619 70.531 68.868 0.073 0.000 0.996 188 T HN 0.473 nan 8.240 nan 0.000 0.448 189 D N 3.310 123.736 120.400 0.044 0.000 2.455 189 D HA 0.261 4.901 4.640 0.001 0.000 0.234 189 D C 0.498 176.822 176.300 0.041 0.000 1.224 189 D CA 0.131 54.154 54.000 0.037 0.000 0.999 189 D CB -0.104 40.708 40.800 0.021 0.000 1.072 189 D HN 0.645 nan 8.370 nan 0.000 0.514 190 T N -0.750 113.836 114.554 0.053 0.000 2.693 190 T HA 0.367 4.717 4.350 0.001 0.000 0.278 190 T C 0.962 175.690 174.700 0.047 0.000 0.994 190 T CA -0.727 61.404 62.100 0.052 0.000 1.033 190 T CB 0.867 69.774 68.868 0.064 0.000 1.342 190 T HN 0.114 nan 8.240 nan 0.000 0.538 191 E N -0.183 120.047 120.200 0.050 0.000 2.481 191 E HA 0.075 4.425 4.350 0.001 0.000 0.195 191 E C 1.682 178.305 176.600 0.039 0.000 1.047 191 E CA -0.021 56.395 56.400 0.027 0.000 0.867 191 E CB -0.159 29.573 29.700 0.052 0.000 0.858 191 E HN 0.424 nan 8.360 nan 0.000 0.513 192 L N 2.222 123.499 121.223 0.090 0.000 2.021 192 L HA -0.269 4.072 4.340 0.001 0.000 0.215 192 L C 2.430 179.337 176.870 0.062 0.000 1.074 192 L CA 1.981 56.890 54.840 0.116 0.000 0.760 192 L CB -0.245 41.854 42.059 0.066 0.000 0.889 192 L HN 0.076 nan 8.230 nan 0.000 0.433 193 R N -1.238 119.280 120.500 0.031 0.000 2.189 193 R HA -0.020 4.320 4.340 0.001 0.000 0.223 193 R C 2.094 178.369 176.300 -0.041 0.000 1.092 193 R CA 1.087 57.193 56.100 0.011 0.000 0.989 193 R CB -1.424 28.996 30.300 0.201 0.000 0.876 193 R HN 0.408 nan 8.270 nan 0.000 0.457 194 G N 0.871 109.593 108.800 -0.129 0.000 2.485 194 G HA2 -0.265 3.696 3.960 0.001 0.000 0.221 194 G HA3 -0.265 3.696 3.960 0.001 0.000 0.221 194 G C 0.639 175.363 174.900 -0.292 0.000 1.115 194 G CA 1.068 46.021 45.100 -0.246 0.000 0.751 194 G HN 0.538 nan 8.290 nan 0.000 0.567 195 H N -0.615 118.442 119.070 -0.022 0.000 2.563 195 H HA 0.305 4.861 4.556 0.001 0.000 0.264 195 H C 0.843 176.152 175.328 -0.032 0.000 0.957 195 H CA -0.600 55.433 56.048 -0.025 0.000 1.173 195 H CB 0.303 30.049 29.762 -0.027 0.000 1.420 195 H HN 0.242 nan 8.280 nan 0.000 0.551 196 I N 2.226 122.813 120.570 0.028 0.000 2.821 196 I HA -0.148 4.023 4.170 0.001 0.000 0.294 196 I C 1.544 177.680 176.117 0.031 0.000 1.210 196 I CA 0.559 61.861 61.300 0.004 0.000 1.430 196 I CB 0.929 38.905 38.000 -0.040 0.000 1.356 196 I HN 0.386 nan 8.210 nan 0.000 0.563 197 T N 1.585 116.170 114.554 0.051 0.000 3.040 197 T HA -0.067 4.283 4.350 0.001 0.000 0.252 197 T C 0.920 175.658 174.700 0.062 0.000 1.064 197 T CA 0.262 62.391 62.100 0.049 0.000 1.110 197 T CB -0.106 68.790 68.868 0.046 0.000 0.921 197 T HN 0.557 nan 8.240 nan 0.000 0.480 198 H N 2.314 121.384 119.070 -0.000 0.000 3.004 198 H HA 0.226 4.782 4.556 0.001 0.000 0.267 198 H C 0.662 175.995 175.328 0.008 0.000 1.165 198 H CA 0.126 56.176 56.048 0.005 0.000 1.450 198 H CB 0.795 30.565 29.762 0.014 0.000 1.488 198 H HN 0.228 nan 8.280 nan 0.000 0.478 199 T N 3.712 118.123 114.554 -0.238 0.000 2.635 199 T HA -0.233 4.118 4.350 0.001 0.000 0.267 199 T C 2.242 176.882 174.700 -0.102 0.000 1.040 199 T CA 1.648 63.663 62.100 -0.141 0.000 1.156 199 T CB -0.216 68.567 68.868 -0.141 0.000 0.863 199 T HN 0.701 nan 8.240 nan 0.000 0.430 200 A N 1.410 124.115 122.820 -0.191 0.000 1.908 200 A HA -0.168 4.152 4.320 0.001 0.000 0.218 200 A C 2.587 180.232 177.584 0.102 0.000 1.181 200 A CA 2.272 54.291 52.037 -0.030 0.000 0.627 200 A CB -1.321 17.674 19.000 -0.009 0.000 0.818 200 A HN 0.526 nan 8.150 nan 0.000 0.445 201 T N -0.536 114.164 114.554 0.244 0.000 2.777 201 T HA -0.110 4.240 4.350 0.001 0.000 0.266 201 T C 1.953 176.749 174.700 0.161 0.000 1.040 201 T CA 1.536 63.775 62.100 0.231 0.000 1.141 201 T CB -0.183 68.846 68.868 0.267 0.000 0.868 201 T HN 0.636 nan 8.240 nan 0.000 0.444 202 K N 0.999 121.472 120.400 0.121 0.000 2.044 202 K HA -0.128 4.193 4.320 0.001 0.000 0.210 202 K C 0.853 177.527 176.600 0.124 0.000 1.049 202 K CA 1.255 57.605 56.287 0.106 0.000 0.927 202 K CB 0.013 32.545 32.500 0.053 0.000 0.713 202 K HN 0.184 nan 8.250 nan 0.000 0.443 206 E N 0.572 120.789 120.200 0.028 0.000 2.110 206 E HA -0.250 4.101 4.350 0.001 0.000 0.193 206 E C 1.483 178.027 176.600 -0.092 0.000 0.988 206 E CA 1.504 57.871 56.400 -0.056 0.000 0.804 206 E CB 0.016 29.732 29.700 0.028 0.000 0.745 206 E HN 0.364 nan 8.360 nan 0.000 0.458 207 Q N 1.450 121.219 119.800 -0.051 0.000 2.079 207 Q HA -0.146 4.194 4.340 0.001 0.000 0.200 207 Q C 1.997 177.952 176.000 -0.075 0.000 0.974 207 Q CA 1.569 57.344 55.803 -0.047 0.000 0.840 207 Q CB -0.170 28.559 28.738 -0.015 0.000 0.898 207 Q HN 0.107 nan 8.270 nan 0.000 0.430 208 R N 0.076 120.514 120.500 -0.103 0.000 2.073 208 R HA -0.111 4.230 4.340 0.001 0.000 0.234 208 R C 2.273 178.476 176.300 -0.161 0.000 1.134 208 R CA 1.857 57.887 56.100 -0.116 0.000 0.952 208 R CB -0.514 29.719 30.300 -0.112 0.000 0.850 208 R HN 0.557 nan 8.270 nan 0.000 0.433 209 I N -0.890 119.516 120.570 -0.273 0.000 2.928 209 I HA -0.009 4.161 4.170 0.001 0.000 0.266 209 I C 1.817 177.848 176.117 -0.143 0.000 1.234 209 I CA 1.103 62.253 61.300 -0.250 0.000 1.483 209 I CB -0.203 37.554 38.000 -0.405 0.000 1.097 209 I HN 0.098 nan 8.210 nan 0.000 0.455 210 S N 0.751 116.381 115.700 -0.116 0.000 2.469 210 S HA -0.101 4.369 4.470 0.001 0.000 0.238 210 S C 1.736 176.303 174.600 -0.054 0.000 0.998 210 S CA 0.656 58.814 58.200 -0.071 0.000 0.957 210 S CB -0.416 62.751 63.200 -0.055 0.000 0.764 210 S HN 0.592 nan 8.310 nan 0.000 0.514 211 Q N 0.910 120.675 119.800 -0.058 0.000 2.360 211 Q HA 0.409 4.749 4.340 0.001 0.000 0.202 211 Q C 0.538 176.515 176.000 -0.038 0.000 0.915 211 Q CA 0.094 55.872 55.803 -0.042 0.000 0.943 211 Q CB -0.032 28.683 28.738 -0.038 0.000 1.064 211 Q HN 0.887 nan 8.270 nan 0.000 0.511 212 I N -3.013 117.531 120.570 -0.044 0.000 2.785 212 I HA 0.486 4.656 4.170 0.001 0.000 0.302 212 I C -0.480 175.618 176.117 -0.032 0.000 1.069 212 I CA -1.473 59.805 61.300 -0.037 0.000 1.045 212 I CB 1.795 39.771 38.000 -0.039 0.000 1.236 212 I HN -0.304 nan 8.210 nan 0.000 0.429 213 R N 3.771 124.256 120.500 -0.025 0.000 2.351 213 R HA 0.271 4.611 4.340 0.001 0.000 0.318 213 R C -0.523 175.766 176.300 -0.018 0.000 1.055 213 R CA -0.339 55.749 56.100 -0.020 0.000 0.968 213 R CB 0.423 30.713 30.300 -0.018 0.000 0.974 213 R HN 0.548 nan 8.270 nan 0.000 0.439 214 K N 2.853 123.244 120.400 -0.014 0.000 2.202 214 K HA 0.188 4.508 4.320 0.001 0.000 0.264 214 K C 0.267 176.868 176.600 0.002 0.000 1.010 214 K CA -0.517 55.766 56.287 -0.006 0.000 0.940 214 K CB 0.778 33.277 32.500 -0.002 0.000 0.983 214 K HN 0.302 nan 8.250 nan 0.000 0.475 215 L N 2.628 123.858 121.223 0.011 0.000 2.483 215 L HA -0.050 4.290 4.340 0.001 0.000 0.276 215 L C 0.646 177.529 176.870 0.021 0.000 1.213 215 L CA 0.038 54.888 54.840 0.016 0.000 0.843 215 L CB 0.107 42.182 42.059 0.027 0.000 1.107 215 L HN 0.411 nan 8.230 nan 0.000 0.487 216 Q N 1.122 120.933 119.800 0.018 0.000 2.235 216 Q HA 0.295 4.636 4.340 0.001 0.000 0.256 216 Q C 0.741 176.757 176.000 0.027 0.000 0.951 216 Q CA -0.165 55.651 55.803 0.020 0.000 0.890 216 Q CB 1.723 30.469 28.738 0.014 0.000 1.279 216 Q HN 0.753 nan 8.270 nan 0.000 0.444 217 A N 2.214 125.052 122.820 0.029 0.000 1.940 217 A HA -0.290 4.031 4.320 0.001 0.000 0.219 217 A C 1.834 179.436 177.584 0.030 0.000 1.176 217 A CA 2.173 54.230 52.037 0.033 0.000 0.631 217 A CB -0.460 18.560 19.000 0.033 0.000 0.814 217 A HN 0.833 nan 8.150 nan 0.000 0.446 218 Q N -0.587 119.228 119.800 0.025 0.000 2.170 218 Q HA -0.237 4.104 4.340 0.001 0.000 0.203 218 Q C 0.967 176.982 176.000 0.024 0.000 0.976 218 Q CA 1.622 57.439 55.803 0.023 0.000 0.858 218 Q CB -0.583 28.166 28.738 0.018 0.000 0.907 218 Q HN 0.551 nan 8.270 nan 0.000 0.433 219 D N 1.431 121.844 120.400 0.022 0.000 2.117 219 D HA -0.127 4.514 4.640 0.001 0.000 0.197 219 D C 2.026 178.344 176.300 0.030 0.000 0.987 219 D CA 1.066 55.078 54.000 0.021 0.000 0.829 219 D CB -0.064 40.745 40.800 0.015 0.000 0.961 219 D HN 0.317 nan 8.370 nan 0.000 0.460 220 I N 1.303 121.894 120.570 0.036 0.000 2.315 220 I HA -0.117 4.053 4.170 0.001 0.000 0.248 220 I C 2.543 178.687 176.117 0.046 0.000 1.117 220 I CA 0.448 61.775 61.300 0.045 0.000 1.404 220 I CB -1.524 36.505 38.000 0.048 0.000 1.071 220 I HN -0.130 nan 8.210 nan 0.000 0.419 221 A N 0.736 123.580 122.820 0.040 0.000 1.940 221 A HA -0.257 4.063 4.320 0.001 0.000 0.219 221 A C 2.294 179.907 177.584 0.047 0.000 1.176 221 A CA 2.095 54.155 52.037 0.039 0.000 0.631 221 A CB -0.590 18.430 19.000 0.033 0.000 0.814 221 A HN 0.396 nan 8.150 nan 0.000 0.446 222 E N 0.249 120.477 120.200 0.048 0.000 2.150 222 E HA -0.001 4.350 4.350 0.001 0.000 0.193 222 E C 1.983 178.640 176.600 0.095 0.000 0.985 222 E CA 1.398 57.833 56.400 0.059 0.000 0.814 222 E CB -0.510 29.214 29.700 0.040 0.000 0.752 222 E HN 0.461 nan 8.360 nan 0.000 0.466 223 A N 0.109 122.982 122.820 0.088 0.000 1.877 223 A HA -0.148 4.173 4.320 0.001 0.000 0.216 223 A C 2.498 180.167 177.584 0.141 0.000 1.186 223 A CA 1.755 53.870 52.037 0.130 0.000 0.620 223 A CB -0.868 18.187 19.000 0.093 0.000 0.822 223 A HN 0.184 nan 8.150 nan 0.000 0.443 224 V N 0.182 120.145 119.914 0.082 0.000 2.287 224 V HA -0.278 3.842 4.120 0.001 0.000 0.248 224 V C 2.665 178.784 176.094 0.042 0.000 1.053 224 V CA 2.312 64.641 62.300 0.050 0.000 1.027 224 V CB -0.862 30.982 31.823 0.036 0.000 0.646 224 V HN 0.627 nan 8.190 nan 0.000 0.447 225 R N -0.898 119.639 120.500 0.061 0.000 2.083 225 R HA -0.241 4.099 4.340 0.001 0.000 0.237 225 R C 2.437 178.775 176.300 0.062 0.000 1.137 225 R CA 2.395 58.528 56.100 0.054 0.000 0.951 225 R CB -0.565 29.774 30.300 0.064 0.000 0.851 225 R HN 0.624 nan 8.270 nan 0.000 0.434 226 Y N 0.764 121.066 120.300 0.004 0.000 2.097 226 Y HA -0.253 4.298 4.550 0.000 0.000 0.282 226 Y C 2.092 177.990 175.900 -0.004 0.000 1.152 226 Y CA 1.724 59.824 58.100 0.000 0.000 1.136 226 Y CB -0.737 37.723 38.460 0.001 0.000 0.975 226 Y HN 0.172 nan 8.280 nan 0.000 0.498 227 A N 0.240 122.863 122.820 -0.330 0.000 1.883 227 A HA -0.192 4.129 4.320 0.001 0.000 0.217 227 A C 2.338 179.760 177.584 -0.269 0.000 1.186 227 A CA 2.935 54.739 52.037 -0.389 0.000 0.624 227 A CB -1.673 17.247 19.000 -0.133 0.000 0.822 227 A HN 0.733 nan 8.150 nan 0.000 0.444 228 V N -2.144 117.684 119.914 -0.143 0.000 2.871 228 V HA -0.063 4.058 4.120 0.001 0.000 0.256 228 V C 2.066 178.108 176.094 -0.086 0.000 1.082 228 V CA 2.171 64.419 62.300 -0.087 0.000 1.105 228 V CB -1.439 30.364 31.823 -0.034 0.000 0.713 228 V HN 0.670 nan 8.190 nan 0.000 0.473 229 T N -1.608 112.883 114.554 -0.106 0.000 3.081 229 T HA 0.479 4.829 4.350 0.001 0.000 0.250 229 T C 0.971 175.605 174.700 -0.111 0.000 1.100 229 T CA 0.444 62.499 62.100 -0.074 0.000 1.038 229 T CB -0.308 68.545 68.868 -0.026 0.000 0.962 229 T HN 0.956 nan 8.240 nan 0.000 0.516 230 A N 3.559 126.248 122.820 -0.219 0.000 2.520 230 A HA 0.473 4.793 4.320 0.001 0.000 0.235 230 A C -1.809 175.665 177.584 -0.184 0.000 1.065 230 A CA -1.158 50.735 52.037 -0.240 0.000 0.764 230 A CB -0.326 18.454 19.000 -0.367 0.000 1.002 230 A HN 0.352 nan 8.150 nan 0.000 0.502 231 P HA -0.049 nan 4.420 nan 0.000 0.268 231 P C 0.844 177.999 177.300 -0.241 0.000 1.208 231 P CA 0.100 63.085 63.100 -0.192 0.000 0.777 231 P CB 0.236 31.780 31.700 -0.261 0.000 0.875 232 H N 2.592 121.579 119.070 -0.138 0.000 2.390 232 H HA -0.204 4.353 4.556 0.000 0.000 0.298 232 H C 1.674 176.953 175.328 -0.081 0.000 1.106 232 H CA 1.940 57.938 56.048 -0.082 0.000 1.297 232 H CB -0.072 29.685 29.762 -0.008 0.000 1.375 232 H HN 0.576 nan 8.280 nan 0.000 0.509 233 H N -0.785 118.246 119.070 -0.065 0.000 2.561 233 H HA 0.196 4.752 4.556 0.000 0.000 0.278 233 H C 0.188 175.444 175.328 -0.121 0.000 1.014 233 H CA 0.604 56.593 56.048 -0.100 0.000 1.211 233 H CB -0.167 29.588 29.762 -0.011 0.000 1.365 233 H HN 0.271 nan 8.280 nan 0.000 0.594 234 A N 1.541 124.097 122.820 -0.440 0.000 2.271 234 A HA 0.425 4.745 4.320 0.001 0.000 0.317 234 A C -0.342 177.113 177.584 -0.214 0.000 1.245 234 A CA -0.576 51.300 52.037 -0.269 0.000 0.857 234 A CB 0.818 19.631 19.000 -0.313 0.000 1.175 234 A HN 0.286 nan 8.150 nan 0.000 0.512 235 T N 2.649 117.123 114.554 -0.133 0.000 2.770 235 T HA 0.350 4.701 4.350 0.001 0.000 0.297 235 T C -0.071 174.609 174.700 -0.034 0.000 0.997 235 T CA -0.176 61.868 62.100 -0.093 0.000 0.949 235 T CB 0.755 69.582 68.868 -0.070 0.000 0.941 235 T HN 0.373 nan 8.240 nan 0.000 0.457 236 V N 4.767 124.649 119.914 -0.053 0.000 2.276 236 V HA 0.070 4.191 4.120 0.001 0.000 0.249 236 V C 1.401 177.522 176.094 0.045 0.000 1.160 236 V CA -0.144 62.153 62.300 -0.006 0.000 1.042 236 V CB -0.577 31.203 31.823 -0.072 0.000 1.224 236 V HN 0.891 nan 8.190 nan 0.000 0.496 237 H N 2.954 122.012 119.070 -0.021 0.000 2.428 237 H HA 0.124 4.680 4.556 0.000 0.000 0.296 237 H C 0.740 176.061 175.328 -0.012 0.000 1.062 237 H CA 1.404 57.438 56.048 -0.024 0.000 1.350 237 H CB 0.514 30.259 29.762 -0.028 0.000 1.403 237 H HN 0.661 nan 8.280 nan 0.000 0.533 238 E N -0.112 120.054 120.200 -0.058 0.000 2.290 238 E HA 0.360 4.711 4.350 0.001 0.000 0.274 238 E C -1.219 175.394 176.600 0.021 0.000 0.889 238 E CA -0.507 55.835 56.400 -0.097 0.000 0.760 238 E CB 2.351 31.999 29.700 -0.087 0.000 1.206 238 E HN 0.163 nan 8.360 nan 0.000 0.419 239 I N 3.501 124.091 120.570 0.034 0.000 2.410 239 I HA 0.281 4.452 4.170 0.001 0.000 0.286 239 I C -1.074 175.136 176.117 0.156 0.000 1.009 239 I CA -0.793 60.569 61.300 0.103 0.000 1.111 239 I CB 1.050 39.119 38.000 0.116 0.000 1.262 239 I HN 0.398 nan 8.210 nan 0.000 0.443 240 F N 8.644 128.582 119.950 -0.020 0.000 2.308 240 F HA 0.539 5.067 4.527 0.001 0.000 0.370 240 F C -0.646 175.145 175.800 -0.016 0.000 1.100 240 F CA -1.534 56.449 58.000 -0.028 0.000 1.108 240 F CB 0.853 39.832 39.000 -0.034 0.000 1.293 240 F HN 0.273 nan 8.300 nan 0.000 0.478 241 I N 7.353 128.024 120.570 0.167 0.000 2.362 241 I HA 0.490 4.661 4.170 0.001 0.000 0.289 241 I C -0.939 175.144 176.117 -0.057 0.000 0.994 241 I CA -0.495 60.799 61.300 -0.011 0.000 1.158 241 I CB 0.762 38.779 38.000 0.028 0.000 1.315 241 I HN 0.578 nan 8.210 nan 0.000 0.451 242 R N 6.741 127.138 120.500 -0.171 0.000 2.803 242 R HA 0.555 4.895 4.340 0.001 0.000 0.276 242 R C -2.603 173.646 176.300 -0.084 0.000 0.978 242 R CA -1.813 54.196 56.100 -0.153 0.000 0.939 242 R CB 1.566 31.691 30.300 -0.290 0.000 1.179 242 R HN 0.389 nan 8.270 nan 0.000 0.472 243 P HA 0.037 nan 4.420 nan 0.000 0.267 243 P C 0.191 177.460 177.300 -0.052 0.000 1.209 243 P CA 0.103 63.181 63.100 -0.036 0.000 0.763 243 P CB 0.680 32.368 31.700 -0.020 0.000 0.816 244 T N 0.428 114.953 114.554 -0.050 0.000 2.778 244 T HA -0.153 4.198 4.350 0.001 0.000 0.269 244 T C 0.904 175.580 174.700 -0.040 0.000 1.050 244 T CA 1.571 63.641 62.100 -0.050 0.000 1.137 244 T CB -0.475 68.368 68.868 -0.042 0.000 0.860 244 T HN 0.450 nan 8.240 nan 0.000 0.468 245 D N 0.673 121.053 120.400 -0.033 0.000 2.355 245 D HA 0.043 4.683 4.640 0.001 0.000 0.218 245 D C 0.852 177.136 176.300 -0.026 0.000 1.004 245 D CA 0.429 54.412 54.000 -0.028 0.000 0.880 245 D CB 0.052 40.836 40.800 -0.026 0.000 0.911 245 D HN 0.446 nan 8.370 nan 0.000 0.528 246 Q N 1.083 120.866 119.800 -0.028 0.000 2.357 246 Q HA 0.300 4.640 4.340 0.001 0.000 0.266 246 Q C -0.376 175.613 176.000 -0.018 0.000 1.021 246 Q CA -0.459 55.332 55.803 -0.020 0.000 0.784 246 Q CB 1.628 30.358 28.738 -0.014 0.000 1.243 246 Q HN -0.177 nan 8.270 nan 0.000 0.465 247 V N 0.000 119.908 119.914 -0.010 0.000 2.409 247 V HA 0.000 4.120 4.120 0.001 0.000 0.244 247 V CA 0.000 62.298 62.300 -0.003 0.000 1.235 247 V CB 0.000 31.824 31.823 0.001 0.000 1.184 247 V HN 0.000 nan 8.190 nan 0.000 0.556