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 1cvl_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADTYAATRYP VILVHGLAGT DKFANVVDYW YGIQSDLQSH GAKVYVANLS DATA SEQUENCE GFQSDDGPNG RGEQLLAYVK QVLAATGATK VNLIGHSQGG LTSRYVAAVA DATA SEQUENCE PQLVASVTTI GTPHRGSEFA DFVQDVLKTD PTGLSSTVIA AFVNVFGTLV DATA SEQUENCE SSSHNTDQDA LAALRTLTTA QTATYNRNFP SAGLGAPGSc QTGAATETVG DATA SEQUENCE GSQHLLYSWG GTAIQPTSTX XXVTGATDTS TGTLDVANVT DPSTLALLAT DATA SEQUENCE GAVMINRASG QNDGLVSRcS SLFGQVISTS YHWNHLDEIN QLLGVRGANA DATA SEQUENCE EDPVAVIRTH VNRLKLQGV 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.569 177.584 -0.025 0.000 1.274 1 A CA 0.000 51.986 52.037 -0.085 0.000 0.836 1 A CB 0.000 18.958 19.000 -0.070 0.000 0.831 2 D N -0.739 119.670 120.400 0.014 0.000 2.904 2 D HA 0.683 5.323 4.640 -0.000 0.000 0.290 2 D C 0.356 176.725 176.300 0.116 0.000 1.180 2 D CA 0.420 54.471 54.000 0.086 0.000 1.065 2 D CB 0.681 41.564 40.800 0.139 0.000 1.386 2 D HN 0.761 nan 8.370 nan 0.000 0.599 3 T N -4.178 110.459 114.554 0.139 0.000 3.252 3 T HA 0.097 4.447 4.350 -0.000 0.000 0.286 3 T C 0.722 175.506 174.700 0.139 0.000 1.013 3 T CA -0.509 61.659 62.100 0.113 0.000 0.914 3 T CB -0.826 68.075 68.868 0.054 0.000 1.131 3 T HN 0.372 nan 8.240 nan 0.000 0.529 4 Y N 2.666 123.007 120.300 0.068 0.000 2.151 4 Y HA 0.042 4.592 4.550 -0.000 0.000 0.284 4 Y C 2.103 177.999 175.900 -0.007 0.000 1.166 4 Y CA 1.607 59.714 58.100 0.012 0.000 1.163 4 Y CB -0.337 38.096 38.460 -0.045 0.000 0.974 4 Y HN 0.447 nan 8.280 nan 0.000 0.511 5 A N -0.546 122.306 122.820 0.053 0.000 2.545 5 A HA 0.636 4.955 4.320 -0.000 0.000 0.277 5 A C 0.883 178.452 177.584 -0.025 0.000 1.301 5 A CA 0.166 52.170 52.037 -0.054 0.000 0.935 5 A CB -0.940 18.108 19.000 0.079 0.000 1.093 5 A HN 0.377 nan 8.150 nan 0.000 0.519 6 A N 1.774 124.583 122.820 -0.018 0.000 2.906 6 A HA 0.474 4.794 4.320 -0.000 0.000 0.289 6 A C 0.987 178.542 177.584 -0.048 0.000 1.675 6 A CA 0.378 52.405 52.037 -0.017 0.000 1.372 6 A CB -1.337 17.661 19.000 -0.003 0.000 1.091 6 A HN 0.620 nan 8.150 nan 0.000 0.579 7 T N -1.104 113.422 114.554 -0.046 0.000 2.828 7 T HA 0.247 4.597 4.350 -0.000 0.000 0.290 7 T C 1.228 175.879 174.700 -0.082 0.000 1.019 7 T CA -0.302 61.763 62.100 -0.059 0.000 1.031 7 T CB 1.061 69.918 68.868 -0.019 0.000 1.001 7 T HN 0.620 nan 8.240 nan 0.000 0.531 8 R N -0.064 120.335 120.500 -0.168 0.000 2.075 8 R HA -0.012 4.327 4.340 -0.000 0.000 0.232 8 R C -0.216 175.880 176.300 -0.341 0.000 1.126 8 R CA 0.924 56.824 56.100 -0.335 0.000 0.963 8 R CB -0.120 29.821 30.300 -0.598 0.000 0.858 8 R HN 0.699 nan 8.270 nan 0.000 0.435 9 Y N 0.752 121.061 120.300 0.014 0.000 2.387 9 Y HA 0.396 4.945 4.550 -0.001 0.000 0.330 9 Y C -1.984 173.935 175.900 0.032 0.000 1.133 9 Y CA -3.740 54.372 58.100 0.019 0.000 1.152 9 Y CB 0.749 39.220 38.460 0.018 0.000 1.215 9 Y HN 0.092 nan 8.280 nan 0.000 0.466 10 P HA 0.018 nan 4.420 nan 0.000 0.268 10 P C -0.744 176.655 177.300 0.164 0.000 1.208 10 P CA -0.005 63.213 63.100 0.197 0.000 0.777 10 P CB 0.677 32.521 31.700 0.239 0.000 0.875 11 V N 4.276 124.280 119.914 0.149 0.000 2.394 11 V HA 0.325 4.444 4.120 -0.000 0.000 0.282 11 V C 0.542 176.701 176.094 0.107 0.000 1.031 11 V CA -0.375 61.980 62.300 0.092 0.000 0.881 11 V CB 0.811 32.654 31.823 0.035 0.000 0.982 11 V HN 0.352 nan 8.190 nan 0.000 0.451 12 I N 5.941 126.553 120.570 0.070 0.000 2.362 12 I HA 0.407 4.576 4.170 -0.000 0.000 0.289 12 I C -0.475 175.610 176.117 -0.054 0.000 0.994 12 I CA -0.478 60.871 61.300 0.082 0.000 1.158 12 I CB 1.648 39.724 38.000 0.126 0.000 1.315 12 I HN 0.358 nan 8.210 nan 0.000 0.451 13 L N 7.009 128.117 121.223 -0.191 0.000 2.276 13 L HA 0.435 4.775 4.340 -0.000 0.000 0.286 13 L C -0.477 176.309 176.870 -0.140 0.000 1.061 13 L CA -0.725 53.807 54.840 -0.514 0.000 0.807 13 L CB 1.312 42.596 42.059 -1.292 0.000 1.177 13 L HN 0.307 nan 8.230 nan 0.000 0.429 14 V N 2.406 122.364 119.914 0.073 0.000 2.326 14 V HA 0.199 4.319 4.120 -0.000 0.000 0.281 14 V C -0.040 176.195 176.094 0.234 0.000 1.015 14 V CA -0.904 61.450 62.300 0.090 0.000 0.823 14 V CB 0.644 32.461 31.823 -0.011 0.000 1.009 14 V HN 0.816 nan 8.190 nan 0.000 0.436 15 H N 2.657 121.781 119.070 0.090 0.000 2.660 15 H HA 0.752 5.308 4.556 -0.000 0.000 0.374 15 H C 0.530 175.687 175.328 -0.284 0.000 1.291 15 H CA 0.365 56.122 56.048 -0.485 0.000 1.437 15 H CB 0.902 29.886 29.762 -1.297 0.000 1.509 15 H HN 0.622 nan 8.280 nan 0.000 0.614 16 G N -0.291 108.500 108.800 -0.015 0.000 3.212 16 G HA2 0.530 4.489 3.960 -0.000 0.000 0.188 16 G HA3 0.530 4.489 3.960 -0.000 0.000 0.188 16 G C -0.643 174.465 174.900 0.347 0.000 1.254 16 G CA -0.783 44.401 45.100 0.140 0.000 0.957 16 G HN 0.800 nan 8.290 nan 0.000 0.596 17 L N -1.902 119.521 121.223 0.334 0.000 7.272 17 L HA -0.299 4.041 4.340 -0.000 0.000 0.167 17 L C 2.394 179.471 176.870 0.346 0.000 1.192 17 L CA 0.369 55.446 54.840 0.395 0.000 1.417 17 L CB -1.377 41.034 42.059 0.587 0.000 2.687 17 L HN 0.905 nan 8.230 nan 0.000 1.105 18 A N -0.155 122.891 122.820 0.377 0.000 1.978 18 A HA 0.345 4.665 4.320 -0.000 0.000 0.220 18 A C 0.949 178.671 177.584 0.231 0.000 1.170 18 A CA 2.443 54.726 52.037 0.411 0.000 0.636 18 A CB -0.630 18.589 19.000 0.364 0.000 0.810 18 A HN 2.092 nan 8.150 nan 0.000 0.448 19 G N -3.105 105.765 108.800 0.117 0.000 2.312 19 G HA2 0.547 4.507 3.960 -0.000 0.000 0.347 19 G HA3 0.547 4.507 3.960 -0.000 0.000 0.347 19 G C 0.055 174.832 174.900 -0.205 0.000 1.564 19 G CA -0.071 45.017 45.100 -0.019 0.000 0.981 19 G HN 2.463 nan 8.290 nan 0.000 0.678 20 T N -1.821 112.553 114.554 -0.299 0.000 0.541 20 T HA -0.019 4.331 4.350 -0.000 0.000 0.774 20 T C 0.436 174.644 174.700 -0.821 0.000 0.992 20 T CA 1.671 63.551 62.100 -0.366 0.000 4.077 20 T CB -0.808 67.950 68.868 -0.182 0.000 2.303 20 T HN 2.346 nan 8.240 nan 0.000 0.398 21 D N 0.336 120.474 120.400 -0.437 0.000 2.395 21 D HA 0.245 4.884 4.640 -0.000 0.000 0.226 21 D C 0.290 176.466 176.300 -0.207 0.000 1.146 21 D CA -0.302 53.493 54.000 -0.340 0.000 0.830 21 D CB 0.153 40.918 40.800 -0.058 0.000 0.958 21 D HN 0.704 nan 8.370 nan 0.000 0.501 22 K N 0.196 120.467 120.400 -0.215 0.000 2.477 22 K HA 0.384 4.703 4.320 -0.000 0.000 0.255 22 K C -1.083 175.489 176.600 -0.046 0.000 0.952 22 K CA -0.734 55.481 56.287 -0.120 0.000 0.826 22 K CB 1.635 34.117 32.500 -0.030 0.000 1.331 22 K HN -0.146 nan 8.250 nan 0.000 0.437 23 F N 0.662 120.611 119.950 -0.002 0.000 2.415 23 F HA 0.338 4.864 4.527 -0.001 0.000 0.348 23 F C 0.959 176.730 175.800 -0.048 0.000 1.119 23 F CA -0.905 57.071 58.000 -0.041 0.000 1.069 23 F CB 1.119 40.059 39.000 -0.099 0.000 1.124 23 F HN 0.811 nan 8.300 nan 0.000 0.472 24 A N 3.324 126.234 122.820 0.151 0.000 2.832 24 A HA -0.373 3.946 4.320 -0.000 0.000 0.280 24 A C 1.099 178.706 177.584 0.039 0.000 1.464 24 A CA 1.288 53.355 52.037 0.051 0.000 0.804 24 A CB -2.560 16.446 19.000 0.011 0.000 1.020 24 A HN 1.073 nan 8.150 nan 0.000 0.563 25 N N -4.686 114.039 118.700 0.041 0.000 2.857 25 N HA -0.236 4.504 4.740 -0.000 0.000 0.242 25 N C 0.607 176.129 175.510 0.020 0.000 0.983 25 N CA 1.627 54.687 53.050 0.016 0.000 0.934 25 N CB -1.058 37.431 38.487 0.002 0.000 1.115 25 N HN 1.429 nan 8.380 nan 0.000 0.593 26 V N -1.406 118.530 119.914 0.037 0.000 3.368 26 V HA 0.282 4.402 4.120 -0.000 0.000 0.255 26 V C -0.098 176.030 176.094 0.057 0.000 1.466 26 V CA 0.268 62.590 62.300 0.036 0.000 1.095 26 V CB 1.038 32.878 31.823 0.029 0.000 0.899 26 V HN -0.003 nan 8.190 nan 0.000 0.440 27 V N 2.747 122.710 119.914 0.082 0.000 2.432 27 V HA 0.403 4.523 4.120 -0.000 0.000 0.275 27 V C -0.372 175.773 176.094 0.085 0.000 1.043 27 V CA -0.765 61.607 62.300 0.121 0.000 0.925 27 V CB 1.210 33.118 31.823 0.143 0.000 0.985 27 V HN 0.387 nan 8.190 nan 0.000 0.466 28 D N 2.635 123.106 120.400 0.118 0.000 2.458 28 D HA -0.021 4.619 4.640 -0.000 0.000 0.243 28 D C 0.579 176.885 176.300 0.011 0.000 1.146 28 D CA 0.295 54.341 54.000 0.076 0.000 0.877 28 D CB 0.670 41.525 40.800 0.092 0.000 1.176 28 D HN 0.627 nan 8.370 nan 0.000 0.461 29 Y N 2.002 122.118 120.300 -0.307 0.000 2.097 29 Y HA -0.176 4.374 4.550 -0.001 0.000 0.282 29 Y C 0.593 176.230 175.900 -0.437 0.000 1.152 29 Y CA 1.290 58.972 58.100 -0.696 0.000 1.136 29 Y CB 0.018 38.037 38.460 -0.736 0.000 0.975 29 Y HN 0.449 nan 8.280 nan 0.000 0.498 30 W N 0.857 122.217 121.300 0.099 0.000 1.836 30 W HA 0.142 4.801 4.660 -0.001 0.000 0.449 30 W C -0.693 175.834 176.519 0.013 0.000 0.787 30 W CA -0.772 56.603 57.345 0.050 0.000 1.729 30 W CB -1.145 28.362 29.460 0.079 0.000 1.802 30 W HN -0.008 nan 8.180 nan 0.000 0.257 31 Y N 2.327 122.628 120.300 0.002 0.000 2.745 31 Y HA 0.207 4.757 4.550 -0.001 0.000 0.335 31 Y C 1.535 177.456 175.900 0.034 0.000 1.212 31 Y CA 1.444 59.544 58.100 0.000 0.000 1.535 31 Y CB 0.344 38.769 38.460 -0.059 0.000 1.220 31 Y HN 0.693 nan 8.280 nan 0.000 0.531 32 G N 4.919 113.427 108.800 -0.487 0.000 2.196 32 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.268 32 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.268 32 G C 1.009 175.855 174.900 -0.090 0.000 0.975 32 G CA 0.783 45.685 45.100 -0.331 0.000 0.648 32 G HN 0.727 nan 8.290 nan 0.000 0.538 33 I N -0.125 120.452 120.570 0.010 0.000 2.333 33 I HA -0.093 4.077 4.170 -0.000 0.000 0.246 33 I C 2.674 178.803 176.117 0.021 0.000 1.106 33 I CA 1.761 63.101 61.300 0.066 0.000 1.411 33 I CB -0.289 37.822 38.000 0.185 0.000 1.082 33 I HN 0.402 nan 8.210 nan 0.000 0.420 34 Q N 1.030 120.829 119.800 -0.003 0.000 2.061 34 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 34 Q C 2.338 178.313 176.000 -0.043 0.000 0.984 34 Q CA 2.653 58.431 55.803 -0.042 0.000 0.846 34 Q CB -0.020 28.688 28.738 -0.049 0.000 0.902 34 Q HN 0.579 nan 8.270 nan 0.000 0.421 35 S N 0.210 115.880 115.700 -0.050 0.000 2.383 35 S HA -0.200 4.270 4.470 -0.000 0.000 0.227 35 S C 1.722 176.299 174.600 -0.038 0.000 1.026 35 S CA 1.324 59.490 58.200 -0.057 0.000 0.981 35 S CB -0.478 62.679 63.200 -0.072 0.000 0.818 35 S HN 0.502 nan 8.310 nan 0.000 0.472 36 D N 1.803 122.200 120.400 -0.005 0.000 2.078 36 D HA -0.107 4.532 4.640 -0.000 0.000 0.193 36 D C 2.062 178.440 176.300 0.129 0.000 0.990 36 D CA 1.487 55.523 54.000 0.061 0.000 0.827 36 D CB -0.186 40.671 40.800 0.095 0.000 0.975 36 D HN 0.437 nan 8.370 nan 0.000 0.451 37 L N 0.326 121.614 121.223 0.109 0.000 2.042 37 L HA -0.204 4.135 4.340 -0.000 0.000 0.210 37 L C 2.847 179.762 176.870 0.074 0.000 1.076 37 L CA 1.127 56.042 54.840 0.127 0.000 0.749 37 L CB -0.466 41.626 42.059 0.056 0.000 0.893 37 L HN 0.111 nan 8.230 nan 0.000 0.432 38 Q N -0.316 119.484 119.800 -0.001 0.000 2.124 38 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 38 Q C 2.392 178.358 176.000 -0.057 0.000 0.977 38 Q CA 1.838 57.619 55.803 -0.037 0.000 0.850 38 Q CB -0.146 28.553 28.738 -0.065 0.000 0.901 38 Q HN 0.612 nan 8.270 nan 0.000 0.429 39 S N -0.232 115.400 115.700 -0.112 0.000 2.474 39 S HA -0.128 4.342 4.470 -0.000 0.000 0.235 39 S C 1.139 175.535 174.600 -0.341 0.000 0.997 39 S CA 0.717 58.776 58.200 -0.236 0.000 0.949 39 S CB -0.115 62.895 63.200 -0.317 0.000 0.766 39 S HN 0.398 nan 8.310 nan 0.000 0.517 40 H N 0.667 119.757 119.070 0.033 0.000 2.507 40 H HA 0.368 4.924 4.556 -0.000 0.000 0.294 40 H C 1.642 177.004 175.328 0.057 0.000 1.064 40 H CA 0.211 56.304 56.048 0.075 0.000 1.138 40 H CB 0.125 29.981 29.762 0.156 0.000 1.515 40 H HN 0.594 nan 8.280 nan 0.000 0.547 41 G N 0.823 109.670 108.800 0.077 0.000 2.179 41 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 41 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 41 G C 0.560 175.477 174.900 0.028 0.000 0.977 41 G CA 0.191 45.317 45.100 0.044 0.000 0.641 41 G HN 0.670 nan 8.290 nan 0.000 0.533 42 A N -0.072 122.769 122.820 0.035 0.000 2.340 42 A HA 0.680 5.000 4.320 -0.000 0.000 0.268 42 A C 0.465 178.036 177.584 -0.022 0.000 1.100 42 A CA 0.023 52.066 52.037 0.011 0.000 0.803 42 A CB 0.484 19.496 19.000 0.019 0.000 1.043 42 A HN 0.333 nan 8.150 nan 0.000 0.488 43 K N 1.586 121.976 120.400 -0.016 0.000 2.268 43 K HA 0.464 4.784 4.320 -0.000 0.000 0.276 43 K C -1.216 175.322 176.600 -0.104 0.000 1.080 43 K CA -0.178 56.072 56.287 -0.061 0.000 0.910 43 K CB 1.160 33.681 32.500 0.035 0.000 1.163 43 K HN 0.434 nan 8.250 nan 0.000 0.465 44 V N 4.279 124.045 119.914 -0.247 0.000 2.513 44 V HA 0.376 4.496 4.120 -0.000 0.000 0.299 44 V C -0.896 174.942 176.094 -0.427 0.000 1.035 44 V CA -0.902 61.268 62.300 -0.215 0.000 0.889 44 V CB 0.841 32.574 31.823 -0.150 0.000 0.988 44 V HN 0.539 nan 8.190 nan 0.000 0.440 45 Y N 2.219 122.519 120.300 -0.001 0.000 2.409 45 Y HA 0.670 5.220 4.550 -0.001 0.000 0.343 45 Y C -0.124 175.821 175.900 0.076 0.000 0.973 45 Y CA -0.927 57.221 58.100 0.080 0.000 1.064 45 Y CB 2.307 40.833 38.460 0.110 0.000 1.207 45 Y HN 0.349 nan 8.280 nan 0.000 0.452 46 V N 3.348 123.386 119.914 0.206 0.000 2.378 46 V HA 0.663 4.782 4.120 -0.000 0.000 0.288 46 V C 0.141 176.228 176.094 -0.011 0.000 1.016 46 V CA -1.079 61.261 62.300 0.068 0.000 0.840 46 V CB 0.999 32.846 31.823 0.040 0.000 0.994 46 V HN 0.929 nan 8.190 nan 0.000 0.431 47 A N 4.143 126.917 122.820 -0.076 0.000 2.425 47 A HA 0.444 4.763 4.320 -0.000 0.000 0.242 47 A C 0.248 177.737 177.584 -0.158 0.000 1.077 47 A CA -0.167 51.642 52.037 -0.380 0.000 0.781 47 A CB 0.115 18.971 19.000 -0.240 0.000 1.020 47 A HN 0.944 nan 8.150 nan 0.000 0.494 48 N N 1.350 119.899 118.700 -0.252 0.000 2.576 48 N HA 0.533 5.273 4.740 -0.000 0.000 0.269 48 N C -1.465 174.043 175.510 -0.003 0.000 1.058 48 N CA -0.390 52.639 53.050 -0.035 0.000 0.860 48 N CB 0.447 38.865 38.487 -0.115 0.000 1.249 48 N HN 0.592 nan 8.380 nan 0.000 0.525 49 L N 1.196 122.543 121.223 0.208 0.000 2.323 49 L HA 0.665 5.005 4.340 -0.000 0.000 0.265 49 L C -0.150 176.739 176.870 0.031 0.000 1.012 49 L CA -0.799 54.047 54.840 0.011 0.000 0.820 49 L CB 2.103 44.061 42.059 -0.169 0.000 1.334 49 L HN 0.341 nan 8.230 nan 0.000 0.427 50 S N -0.379 115.271 115.700 -0.083 0.000 2.595 50 S HA 0.941 5.411 4.470 -0.000 0.000 0.281 50 S C -0.485 173.960 174.600 -0.258 0.000 1.117 50 S CA -0.275 57.823 58.200 -0.169 0.000 0.873 50 S CB 2.207 65.312 63.200 -0.159 0.000 1.108 50 S HN 1.096 nan 8.310 nan 0.000 0.477 51 G N 0.465 108.982 108.800 -0.470 0.000 2.528 51 G HA2 0.123 4.083 3.960 -0.000 0.000 0.681 51 G HA3 0.123 4.083 3.960 -0.000 0.000 0.681 51 G C -0.913 173.643 174.900 -0.572 0.000 1.340 51 G CA -0.852 43.961 45.100 -0.478 0.000 0.855 51 G HN 0.488 nan 8.290 nan 0.000 0.649 52 F N 0.643 120.582 119.950 -0.018 0.000 2.682 52 F HA 0.324 4.851 4.527 -0.001 0.000 0.308 52 F C 1.630 177.408 175.800 -0.036 0.000 1.093 52 F CA -0.091 57.897 58.000 -0.020 0.000 1.244 52 F CB 0.447 39.443 39.000 -0.005 0.000 1.052 52 F HN 0.510 nan 8.300 nan 0.000 0.573 53 Q N 0.174 120.015 119.800 0.069 0.000 2.222 53 Q HA 0.349 4.688 4.340 -0.000 0.000 0.211 53 Q C 0.644 176.630 176.000 -0.023 0.000 1.013 53 Q CA -0.615 55.208 55.803 0.033 0.000 0.993 53 Q CB 0.795 29.544 28.738 0.019 0.000 1.151 53 Q HN 0.232 nan 8.270 nan 0.000 0.544 54 S N -0.156 115.529 115.700 -0.024 0.000 2.563 54 S HA -0.059 4.411 4.470 -0.000 0.000 0.284 54 S C 0.360 174.884 174.600 -0.126 0.000 1.331 54 S CA -0.344 57.820 58.200 -0.060 0.000 1.047 54 S CB 0.476 63.691 63.200 0.025 0.000 0.859 54 S HN 0.547 nan 8.310 nan 0.000 0.514 55 D N 1.466 121.727 120.400 -0.232 0.000 2.221 55 D HA -0.138 4.501 4.640 -0.000 0.000 0.204 55 D C 1.122 177.171 176.300 -0.419 0.000 0.982 55 D CA 1.634 55.442 54.000 -0.319 0.000 0.857 55 D CB -0.157 40.404 40.800 -0.399 0.000 0.934 55 D HN 0.897 nan 8.370 nan 0.000 0.475 56 D N 0.178 120.451 120.400 -0.211 0.000 2.349 56 D HA 0.037 4.677 4.640 -0.000 0.000 0.214 56 D C 1.109 177.355 176.300 -0.091 0.000 1.063 56 D CA -0.163 53.680 54.000 -0.260 0.000 0.847 56 D CB -0.273 40.623 40.800 0.159 0.000 0.933 56 D HN -0.084 nan 8.370 nan 0.000 0.513 57 G N 1.378 110.129 108.800 -0.082 0.000 2.634 57 G HA2 0.332 4.292 3.960 -0.000 0.000 0.255 57 G HA3 0.332 4.292 3.960 -0.000 0.000 0.255 57 G C -2.483 172.389 174.900 -0.046 0.000 1.205 57 G CA -0.989 44.096 45.100 -0.025 0.000 0.884 57 G HN -0.002 nan 8.290 nan 0.000 0.549 58 P HA 0.041 nan 4.420 nan 0.000 0.263 58 P C 0.304 177.589 177.300 -0.026 0.000 1.195 58 P CA 0.233 63.332 63.100 -0.002 0.000 0.762 58 P CB 0.456 32.164 31.700 0.014 0.000 0.799 59 N N 0.915 119.597 118.700 -0.030 0.000 2.741 59 N HA -0.160 4.580 4.740 -0.000 0.000 0.251 59 N C 0.485 175.947 175.510 -0.079 0.000 1.112 59 N CA 1.264 54.289 53.050 -0.042 0.000 0.750 59 N CB -1.330 37.140 38.487 -0.027 0.000 1.119 59 N HN 0.617 nan 8.380 nan 0.000 0.561 60 G N -0.663 108.068 108.800 -0.116 0.000 2.588 60 G HA2 0.250 4.209 3.960 -0.000 0.000 0.278 60 G HA3 0.250 4.209 3.960 -0.000 0.000 0.278 60 G C 0.931 175.717 174.900 -0.189 0.000 1.307 60 G CA -0.149 44.856 45.100 -0.159 0.000 1.016 60 G HN 0.351 nan 8.290 nan 0.000 0.503 61 R N -0.542 119.831 120.500 -0.211 0.000 2.120 61 R HA -0.090 4.249 4.340 -0.000 0.000 0.234 61 R C 2.718 178.887 176.300 -0.218 0.000 1.123 61 R CA 1.194 57.172 56.100 -0.203 0.000 0.975 61 R CB -0.442 29.732 30.300 -0.210 0.000 0.866 61 R HN 0.569 nan 8.270 nan 0.000 0.446 62 G N 1.093 109.669 108.800 -0.373 0.000 2.421 62 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.216 62 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.216 62 G C 1.128 175.933 174.900 -0.157 0.000 1.171 62 G CA 0.520 45.343 45.100 -0.462 0.000 0.775 62 G HN 0.326 nan 8.290 nan 0.000 0.543 63 E N 0.093 120.167 120.200 -0.211 0.000 2.106 63 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 63 E C 2.670 179.284 176.600 0.023 0.000 0.984 63 E CA 0.822 57.232 56.400 0.017 0.000 0.806 63 E CB -0.086 29.606 29.700 -0.013 0.000 0.750 63 E HN 0.538 nan 8.360 nan 0.000 0.458 64 Q N 0.288 120.068 119.800 -0.034 0.000 2.084 64 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 64 Q C 2.276 178.294 176.000 0.031 0.000 0.978 64 Q CA 0.961 56.755 55.803 -0.015 0.000 0.844 64 Q CB -0.090 28.611 28.738 -0.062 0.000 0.898 64 Q HN 0.176 nan 8.270 nan 0.000 0.426 65 L N 0.503 121.737 121.223 0.019 0.000 2.056 65 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 65 L C 2.053 178.995 176.870 0.121 0.000 1.078 65 L CA 1.327 56.210 54.840 0.073 0.000 0.749 65 L CB -0.619 41.456 42.059 0.027 0.000 0.901 65 L HN 0.230 nan 8.230 nan 0.000 0.433 66 L N 0.012 121.305 121.223 0.117 0.000 2.042 66 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 66 L C 2.494 179.403 176.870 0.066 0.000 1.076 66 L CA 2.159 57.057 54.840 0.097 0.000 0.749 66 L CB -1.110 41.034 42.059 0.142 0.000 0.893 66 L HN 0.292 nan 8.230 nan 0.000 0.432 67 A N -1.453 121.414 122.820 0.078 0.000 1.902 67 A HA -0.291 4.029 4.320 -0.000 0.000 0.217 67 A C 2.301 179.928 177.584 0.071 0.000 1.181 67 A CA 1.842 53.915 52.037 0.061 0.000 0.623 67 A CB -1.227 17.811 19.000 0.063 0.000 0.818 67 A HN 0.632 nan 8.150 nan 0.000 0.443 68 Y N 0.627 120.911 120.300 -0.028 0.000 2.145 68 Y HA -0.179 4.371 4.550 -0.001 0.000 0.286 68 Y C 2.418 178.274 175.900 -0.075 0.000 1.145 68 Y CA 1.707 59.781 58.100 -0.044 0.000 1.148 68 Y CB -0.501 37.939 38.460 -0.034 0.000 0.981 68 Y HN 0.064 nan 8.280 nan 0.000 0.507 69 V N 0.663 120.514 119.914 -0.104 0.000 2.287 69 V HA -0.359 3.761 4.120 -0.000 0.000 0.248 69 V C 2.288 178.252 176.094 -0.217 0.000 1.053 69 V CA 2.444 64.628 62.300 -0.194 0.000 1.027 69 V CB -0.579 31.202 31.823 -0.070 0.000 0.646 69 V HN 0.355 nan 8.190 nan 0.000 0.447 70 K N -0.463 119.859 120.400 -0.129 0.000 2.097 70 K HA -0.220 4.100 4.320 -0.000 0.000 0.206 70 K C 2.261 178.769 176.600 -0.154 0.000 1.049 70 K CA 1.589 57.807 56.287 -0.114 0.000 0.933 70 K CB -0.217 32.248 32.500 -0.059 0.000 0.717 70 K HN 0.572 nan 8.250 nan 0.000 0.442 71 Q N 0.313 120.002 119.800 -0.185 0.000 2.084 71 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 71 Q C 2.186 178.003 176.000 -0.306 0.000 0.978 71 Q CA 1.339 57.025 55.803 -0.196 0.000 0.844 71 Q CB -0.137 28.504 28.738 -0.162 0.000 0.898 71 Q HN 0.076 nan 8.270 nan 0.000 0.426 72 V N 1.322 120.930 119.914 -0.510 0.000 2.287 72 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 72 V C 2.214 178.073 176.094 -0.393 0.000 1.053 72 V CA 1.668 63.578 62.300 -0.650 0.000 1.027 72 V CB -0.594 30.649 31.823 -0.967 0.000 0.646 72 V HN 0.350 nan 8.190 nan 0.000 0.447 73 L N 0.043 121.098 121.223 -0.279 0.000 2.017 73 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 73 L C 2.753 179.553 176.870 -0.117 0.000 1.073 73 L CA 1.697 56.440 54.840 -0.163 0.000 0.745 73 L CB -0.884 41.099 42.059 -0.128 0.000 0.894 73 L HN 0.372 nan 8.230 nan 0.000 0.432 74 A N -0.072 122.677 122.820 -0.119 0.000 1.933 74 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 74 A C 2.475 180.017 177.584 -0.070 0.000 1.175 74 A CA 1.749 53.739 52.037 -0.078 0.000 0.628 74 A CB -0.578 18.380 19.000 -0.070 0.000 0.814 74 A HN 0.419 nan 8.150 nan 0.000 0.444 75 A N -0.632 122.131 122.820 -0.095 0.000 1.970 75 A HA 0.021 4.341 4.320 -0.000 0.000 0.216 75 A C 2.328 179.889 177.584 -0.038 0.000 1.170 75 A CA 2.117 54.117 52.037 -0.061 0.000 0.645 75 A CB -0.901 18.057 19.000 -0.070 0.000 0.816 75 A HN 0.693 nan 8.150 nan 0.000 0.447 76 T N -4.895 109.624 114.554 -0.057 0.000 3.051 76 T HA 0.384 4.734 4.350 -0.000 0.000 0.255 76 T C 1.533 176.233 174.700 -0.000 0.000 1.085 76 T CA 1.182 63.276 62.100 -0.010 0.000 1.109 76 T CB 0.085 68.950 68.868 -0.005 0.000 0.921 76 T HN 1.620 nan 8.240 nan 0.000 0.488 77 G N 1.477 110.267 108.800 -0.016 0.000 2.179 77 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.260 77 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.260 77 G C 0.312 175.222 174.900 0.016 0.000 0.977 77 G CA 0.023 45.122 45.100 -0.001 0.000 0.641 77 G HN 1.151 nan 8.290 nan 0.000 0.533 78 A N -0.244 122.588 122.820 0.021 0.000 2.332 78 A HA 0.763 5.083 4.320 -0.000 0.000 0.258 78 A C 1.554 179.163 177.584 0.041 0.000 1.087 78 A CA 1.267 53.348 52.037 0.072 0.000 0.802 78 A CB 0.503 19.568 19.000 0.108 0.000 1.042 78 A HN 1.403 nan 8.150 nan 0.000 0.489 79 T N -2.018 112.583 114.554 0.077 0.000 3.014 79 T HA 0.312 4.662 4.350 -0.000 0.000 0.250 79 T C 0.454 175.072 174.700 -0.136 0.000 1.060 79 T CA 0.370 62.462 62.100 -0.013 0.000 1.040 79 T CB -0.180 68.706 68.868 0.030 0.000 0.971 79 T HN 0.657 nan 8.240 nan 0.000 0.497 80 K N 0.684 120.922 120.400 -0.269 0.000 2.522 80 K HA 0.704 5.023 4.320 -0.000 0.000 0.275 80 K C -1.444 174.964 176.600 -0.321 0.000 1.006 80 K CA -1.114 54.904 56.287 -0.448 0.000 0.890 80 K CB 2.913 34.900 32.500 -0.854 0.000 1.475 80 K HN 0.084 nan 8.250 nan 0.000 0.441 81 V N -1.965 117.813 119.914 -0.226 0.000 3.102 81 V HA 0.586 4.706 4.120 -0.000 0.000 0.312 81 V C -1.202 174.872 176.094 -0.034 0.000 1.135 81 V CA -1.015 61.244 62.300 -0.068 0.000 1.022 81 V CB 2.070 33.855 31.823 -0.062 0.000 1.056 81 V HN 0.676 nan 8.190 nan 0.000 0.436 82 N N 2.132 120.864 118.700 0.054 0.000 2.424 82 N HA 0.598 5.338 4.740 -0.000 0.000 0.271 82 N C -1.111 174.436 175.510 0.061 0.000 0.985 82 N CA -0.202 52.896 53.050 0.080 0.000 0.921 82 N CB 1.984 40.544 38.487 0.121 0.000 1.149 82 N HN 0.671 nan 8.380 nan 0.000 0.492 83 L N 3.154 124.413 121.223 0.060 0.000 2.295 83 L HA 0.577 4.917 4.340 -0.000 0.000 0.285 83 L C 0.014 176.929 176.870 0.074 0.000 1.035 83 L CA -0.569 54.300 54.840 0.049 0.000 0.806 83 L CB 1.222 43.299 42.059 0.031 0.000 1.214 83 L HN 0.315 nan 8.230 nan 0.000 0.426 84 I N 2.540 123.129 120.570 0.031 0.000 2.410 84 I HA 0.490 4.660 4.170 -0.000 0.000 0.286 84 I C 0.280 176.439 176.117 0.071 0.000 1.009 84 I CA -0.306 61.014 61.300 0.035 0.000 1.111 84 I CB 1.863 39.854 38.000 -0.015 0.000 1.262 84 I HN 0.625 nan 8.210 nan 0.000 0.443 85 G N 4.207 113.082 108.800 0.125 0.000 2.453 85 G HA2 0.424 4.383 3.960 -0.000 0.000 0.323 85 G HA3 0.424 4.383 3.960 -0.000 0.000 0.323 85 G C -1.631 173.436 174.900 0.278 0.000 1.198 85 G CA -0.332 44.894 45.100 0.211 0.000 0.959 85 G HN 0.651 nan 8.290 nan 0.000 0.482 86 H N 1.135 120.334 119.070 0.214 0.000 2.524 86 H HA 0.543 5.098 4.556 -0.001 0.000 0.353 86 H C 0.700 176.042 175.328 0.022 0.000 1.136 86 H CA 0.332 56.404 56.048 0.039 0.000 1.193 86 H CB 1.929 31.613 29.762 -0.131 0.000 1.558 86 H HN 0.773 nan 8.280 nan 0.000 0.515 87 S N 2.059 117.398 115.700 -0.601 0.000 4.059 87 S HA -0.375 4.095 4.470 -0.000 0.000 0.624 87 S C 1.701 176.191 174.600 -0.183 0.000 2.019 87 S CA 1.770 59.770 58.200 -0.332 0.000 4.197 87 S CB -1.315 61.717 63.200 -0.280 0.000 0.215 87 S HN 0.928 nan 8.310 nan 0.000 0.609 88 Q N 0.980 120.716 119.800 -0.106 0.000 2.297 88 Q HA -0.078 4.262 4.340 -0.000 0.000 0.208 88 Q C 2.062 177.965 176.000 -0.162 0.000 0.981 88 Q CA 1.799 57.517 55.803 -0.141 0.000 0.876 88 Q CB -1.053 27.633 28.738 -0.087 0.000 0.921 88 Q HN 0.792 nan 8.270 nan 0.000 0.446 89 G N -0.276 108.450 108.800 -0.123 0.000 2.479 89 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 89 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 89 G C 1.183 176.027 174.900 -0.094 0.000 1.115 89 G CA 0.654 45.686 45.100 -0.114 0.000 0.757 89 G HN 0.514 nan 8.290 nan 0.000 0.560 90 G N 0.685 109.406 108.800 -0.132 0.000 2.421 90 G HA2 -0.049 3.910 3.960 -0.000 0.000 0.217 90 G HA3 -0.049 3.910 3.960 -0.000 0.000 0.217 90 G C 1.727 176.525 174.900 -0.169 0.000 1.143 90 G CA 0.490 45.494 45.100 -0.160 0.000 0.784 90 G HN 0.435 nan 8.290 nan 0.000 0.541 91 L N 0.605 121.702 121.223 -0.209 0.000 2.072 91 L HA -0.040 4.300 4.340 -0.000 0.000 0.205 91 L C 3.135 179.952 176.870 -0.089 0.000 1.079 91 L CA 1.447 56.186 54.840 -0.169 0.000 0.752 91 L CB -0.907 40.921 42.059 -0.384 0.000 0.906 91 L HN 0.139 nan 8.230 nan 0.000 0.436 92 T N -0.956 113.518 114.554 -0.133 0.000 2.746 92 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 92 T C 2.166 176.875 174.700 0.015 0.000 1.039 92 T CA 1.659 63.707 62.100 -0.087 0.000 1.142 92 T CB -0.209 68.570 68.868 -0.149 0.000 0.866 92 T HN 0.220 nan 8.240 nan 0.000 0.444 93 S N 0.990 116.686 115.700 -0.007 0.000 2.368 93 S HA -0.068 4.401 4.470 -0.000 0.000 0.225 93 S C 2.183 176.810 174.600 0.046 0.000 1.030 93 S CA 0.911 59.122 58.200 0.018 0.000 0.999 93 S CB -0.228 62.977 63.200 0.008 0.000 0.844 93 S HN 0.420 nan 8.310 nan 0.000 0.459 94 R N -0.393 120.145 120.500 0.062 0.000 2.091 94 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 94 R C 2.222 178.582 176.300 0.100 0.000 1.136 94 R CA 1.711 57.875 56.100 0.107 0.000 0.959 94 R CB -0.482 29.914 30.300 0.159 0.000 0.856 94 R HN 0.515 nan 8.270 nan 0.000 0.437 95 Y N 1.032 121.311 120.300 -0.034 0.000 2.128 95 Y HA -0.273 4.277 4.550 -0.000 0.000 0.284 95 Y C 2.072 177.937 175.900 -0.058 0.000 1.154 95 Y CA 1.615 59.611 58.100 -0.174 0.000 1.149 95 Y CB -0.331 38.005 38.460 -0.206 0.000 0.976 95 Y HN -0.217 nan 8.280 nan 0.000 0.505 96 V N 0.487 120.409 119.914 0.014 0.000 2.343 96 V HA -0.330 3.789 4.120 -0.000 0.000 0.247 96 V C 2.666 178.703 176.094 -0.095 0.000 1.051 96 V CA 1.853 64.119 62.300 -0.056 0.000 1.036 96 V CB -1.588 30.250 31.823 0.026 0.000 0.654 96 V HN 0.586 nan 8.190 nan 0.000 0.451 97 A N -0.339 122.443 122.820 -0.063 0.000 2.015 97 A HA -0.017 4.302 4.320 -0.000 0.000 0.219 97 A C 2.341 179.957 177.584 0.053 0.000 1.163 97 A CA 1.916 53.911 52.037 -0.071 0.000 0.646 97 A CB -0.502 18.438 19.000 -0.100 0.000 0.806 97 A HN 0.560 nan 8.150 nan 0.000 0.448 98 A N -0.303 122.525 122.820 0.015 0.000 1.878 98 A HA 0.126 4.446 4.320 -0.000 0.000 0.213 98 A C 2.234 179.799 177.584 -0.032 0.000 1.192 98 A CA 1.674 53.742 52.037 0.051 0.000 0.619 98 A CB -0.925 18.177 19.000 0.169 0.000 0.837 98 A HN 1.098 nan 8.150 nan 0.000 0.446 99 V N -4.222 115.579 119.914 -0.189 0.000 3.052 99 V HA 0.536 4.656 4.120 -0.000 0.000 0.254 99 V C 1.159 177.195 176.094 -0.097 0.000 1.100 99 V CA 1.132 63.325 62.300 -0.179 0.000 1.112 99 V CB -0.193 31.394 31.823 -0.393 0.000 0.738 99 V HN 0.750 nan 8.190 nan 0.000 0.469 100 A N 1.108 123.882 122.820 -0.076 0.000 3.297 100 A HA 0.624 4.944 4.320 -0.000 0.000 0.304 100 A C -1.072 176.512 177.584 0.001 0.000 0.963 100 A CA -0.668 51.348 52.037 -0.036 0.000 0.935 100 A CB 0.165 19.140 19.000 -0.043 0.000 1.093 100 A HN 0.395 nan 8.150 nan 0.000 0.480 101 P HA -0.254 nan 4.420 nan 0.000 0.218 101 P C 1.251 178.670 177.300 0.198 0.000 1.148 101 P CA 1.346 64.563 63.100 0.196 0.000 0.822 101 P CB 0.182 31.976 31.700 0.157 0.000 0.784 102 Q N 0.111 119.949 119.800 0.063 0.000 2.369 102 Q HA -0.047 4.293 4.340 -0.000 0.000 0.206 102 Q C 1.833 177.820 176.000 -0.021 0.000 0.963 102 Q CA 1.047 56.862 55.803 0.021 0.000 0.894 102 Q CB -1.123 27.613 28.738 -0.004 0.000 0.965 102 Q HN 0.351 nan 8.270 nan 0.000 0.475 103 L N 0.612 121.813 121.223 -0.036 0.000 2.607 103 L HA 0.266 4.606 4.340 -0.000 0.000 0.228 103 L C 0.084 176.872 176.870 -0.137 0.000 1.123 103 L CA -0.201 54.584 54.840 -0.091 0.000 0.890 103 L CB 0.693 42.706 42.059 -0.078 0.000 1.103 103 L HN -0.112 nan 8.230 nan 0.000 0.468 104 V N -0.252 119.590 119.914 -0.121 0.000 2.495 104 V HA 0.459 4.578 4.120 -0.000 0.000 0.298 104 V C 0.777 176.789 176.094 -0.138 0.000 1.031 104 V CA -0.107 62.074 62.300 -0.199 0.000 0.871 104 V CB 1.646 33.257 31.823 -0.354 0.000 0.988 104 V HN 0.124 nan 8.190 nan 0.000 0.432 105 A N 3.632 126.369 122.820 -0.138 0.000 1.973 105 A HA 0.483 4.803 4.320 -0.000 0.000 0.210 105 A C 0.910 178.557 177.584 0.105 0.000 1.200 105 A CA 0.888 52.915 52.037 -0.016 0.000 0.707 105 A CB 0.181 19.140 19.000 -0.069 0.000 0.862 105 A HN 1.078 nan 8.150 nan 0.000 0.461 106 S N -2.042 113.701 115.700 0.070 0.000 2.570 106 S HA 0.632 5.102 4.470 -0.000 0.000 0.270 106 S C -1.389 173.290 174.600 0.133 0.000 1.149 106 S CA -0.558 57.738 58.200 0.160 0.000 0.837 106 S CB 1.626 64.993 63.200 0.278 0.000 1.124 106 S HN 0.485 nan 8.310 nan 0.000 0.465 107 V N 1.595 121.643 119.914 0.223 0.000 2.482 107 V HA 0.637 4.757 4.120 -0.000 0.000 0.295 107 V C -0.614 175.719 176.094 0.399 0.000 1.026 107 V CA -0.341 62.111 62.300 0.253 0.000 0.856 107 V CB 1.661 33.648 31.823 0.275 0.000 1.001 107 V HN 1.042 nan 8.190 nan 0.000 0.424 108 T N 3.163 117.909 114.554 0.320 0.000 2.792 108 T HA 0.606 4.956 4.350 -0.000 0.000 0.280 108 T C 0.029 174.795 174.700 0.110 0.000 0.990 108 T CA -0.450 61.829 62.100 0.299 0.000 0.960 108 T CB 1.549 70.567 68.868 0.250 0.000 0.939 108 T HN 0.876 nan 8.240 nan 0.000 0.439 109 T N 1.109 115.721 114.554 0.097 0.000 2.829 109 T HA 0.752 5.101 4.350 -0.000 0.000 0.280 109 T C -0.406 174.179 174.700 -0.192 0.000 0.999 109 T CA -0.824 61.266 62.100 -0.017 0.000 0.983 109 T CB 0.432 69.323 68.868 0.038 0.000 0.968 109 T HN 0.460 nan 8.240 nan 0.000 0.446 110 I N 2.663 123.096 120.570 -0.229 0.000 2.355 110 I HA 0.520 4.690 4.170 -0.000 0.000 0.288 110 I C 1.170 177.261 176.117 -0.045 0.000 0.999 110 I CA -0.731 60.373 61.300 -0.326 0.000 1.163 110 I CB 1.237 39.030 38.000 -0.345 0.000 1.316 110 I HN 1.115 nan 8.210 nan 0.000 0.454 111 G N 3.800 112.624 108.800 0.040 0.000 2.366 111 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.299 111 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.299 111 G C 0.133 175.056 174.900 0.037 0.000 1.020 111 G CA 0.084 45.263 45.100 0.131 0.000 1.026 111 G HN 0.571 nan 8.290 nan 0.000 0.512 112 T N 2.041 116.561 114.554 -0.057 0.000 2.771 112 T HA 0.506 4.856 4.350 -0.000 0.000 0.291 112 T C -1.744 172.809 174.700 -0.245 0.000 0.954 112 T CA -0.915 61.031 62.100 -0.255 0.000 1.045 112 T CB 2.069 70.609 68.868 -0.546 0.000 0.917 112 T HN 0.154 nan 8.240 nan 0.000 0.484 113 P HA 0.167 nan 4.420 nan 0.000 0.231 113 P C 0.765 178.002 177.300 -0.106 0.000 1.811 113 P CA -0.280 62.760 63.100 -0.100 0.000 1.051 113 P CB -0.060 31.588 31.700 -0.085 0.000 1.951 114 H N 1.537 120.619 119.070 0.020 0.000 2.422 114 H HA -0.030 4.526 4.556 -0.000 0.000 0.298 114 H C 1.106 176.477 175.328 0.073 0.000 1.098 114 H CA 1.306 57.380 56.048 0.043 0.000 1.315 114 H CB 0.226 30.033 29.762 0.074 0.000 1.382 114 H HN 0.375 nan 8.280 nan 0.000 0.523 115 R N 0.275 120.878 120.500 0.173 0.000 2.552 115 R HA 0.273 4.613 4.340 -0.000 0.000 0.314 115 R C 0.279 176.622 176.300 0.072 0.000 1.041 115 R CA 0.318 56.493 56.100 0.124 0.000 1.076 115 R CB 1.090 31.462 30.300 0.120 0.000 1.290 115 R HN 0.295 nan 8.270 nan 0.000 0.563 116 G N 0.574 109.398 108.800 0.041 0.000 2.663 116 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.686 116 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.686 116 G C -0.917 173.980 174.900 -0.004 0.000 1.288 116 G CA -0.488 44.617 45.100 0.008 0.000 0.836 116 G HN 0.108 nan 8.290 nan 0.000 0.584 117 S N -0.743 114.943 115.700 -0.022 0.000 2.478 117 S HA 0.621 5.091 4.470 -0.000 0.000 0.312 117 S C 0.989 175.585 174.600 -0.007 0.000 1.094 117 S CA 0.220 58.407 58.200 -0.022 0.000 1.081 117 S CB 1.680 64.850 63.200 -0.050 0.000 1.007 117 S HN 0.632 nan 8.310 nan 0.000 0.475 118 E N 2.828 123.037 120.200 0.015 0.000 2.204 118 E HA 0.005 4.355 4.350 -0.000 0.000 0.194 118 E C 1.005 177.636 176.600 0.051 0.000 0.989 118 E CA 0.957 57.372 56.400 0.026 0.000 0.824 118 E CB -0.156 29.560 29.700 0.026 0.000 0.756 118 E HN 0.773 nan 8.360 nan 0.000 0.477 119 F N 0.911 120.801 119.950 -0.100 0.000 2.128 119 F HA -0.014 4.513 4.527 -0.001 0.000 0.295 119 F C 2.121 177.869 175.800 -0.087 0.000 1.100 119 F CA 1.193 59.120 58.000 -0.121 0.000 1.260 119 F CB -0.522 38.322 39.000 -0.260 0.000 1.009 119 F HN 0.022 nan 8.300 nan 0.000 0.476 120 A N 0.210 122.906 122.820 -0.207 0.000 1.917 120 A HA -0.231 4.088 4.320 -0.000 0.000 0.219 120 A C 1.985 179.429 177.584 -0.233 0.000 1.182 120 A CA 2.171 54.051 52.037 -0.261 0.000 0.633 120 A CB -1.076 17.842 19.000 -0.137 0.000 0.819 120 A HN 0.457 nan 8.150 nan 0.000 0.448 121 D N -1.105 119.214 120.400 -0.135 0.000 2.097 121 D HA -0.141 4.499 4.640 -0.000 0.000 0.195 121 D C 1.630 177.865 176.300 -0.108 0.000 0.989 121 D CA 1.420 55.365 54.000 -0.091 0.000 0.827 121 D CB -0.552 40.230 40.800 -0.029 0.000 0.966 121 D HN 0.497 nan 8.370 nan 0.000 0.456 122 F N 1.683 121.469 119.950 -0.273 0.000 2.095 122 F HA -0.240 4.287 4.527 -0.001 0.000 0.298 122 F C 2.175 177.763 175.800 -0.354 0.000 1.104 122 F CA 1.156 58.986 58.000 -0.285 0.000 1.232 122 F CB -0.406 38.425 39.000 -0.282 0.000 0.987 122 F HN -0.206 nan 8.300 nan 0.000 0.475 123 V N 1.258 120.813 119.914 -0.599 0.000 2.287 123 V HA -0.369 3.751 4.120 -0.000 0.000 0.248 123 V C 2.538 178.377 176.094 -0.425 0.000 1.053 123 V CA 2.345 64.277 62.300 -0.613 0.000 1.027 123 V CB -1.087 30.389 31.823 -0.579 0.000 0.646 123 V HN 0.591 nan 8.190 nan 0.000 0.447 124 Q N -0.104 119.506 119.800 -0.317 0.000 2.096 124 Q HA -0.285 4.054 4.340 -0.000 0.000 0.204 124 Q C 1.904 177.770 176.000 -0.223 0.000 0.982 124 Q CA 2.287 57.958 55.803 -0.219 0.000 0.850 124 Q CB -0.291 28.352 28.738 -0.158 0.000 0.901 124 Q HN 0.615 nan 8.270 nan 0.000 0.422 125 D N 0.220 120.471 120.400 -0.248 0.000 2.104 125 D HA -0.149 4.491 4.640 -0.000 0.000 0.194 125 D C 2.081 178.217 176.300 -0.272 0.000 0.994 125 D CA 1.587 55.452 54.000 -0.225 0.000 0.830 125 D CB -0.259 40.420 40.800 -0.202 0.000 0.959 125 D HN 0.184 nan 8.370 nan 0.000 0.452 126 V N 0.729 120.384 119.914 -0.431 0.000 2.343 126 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 126 V C 2.252 178.198 176.094 -0.246 0.000 1.051 126 V CA 0.969 63.037 62.300 -0.386 0.000 1.036 126 V CB -0.328 31.149 31.823 -0.577 0.000 0.654 126 V HN 0.137 nan 8.190 nan 0.000 0.451 127 L N -0.356 120.728 121.223 -0.231 0.000 2.456 127 L HA -0.044 4.295 4.340 -0.000 0.000 0.224 127 L C 2.122 178.919 176.870 -0.122 0.000 1.148 127 L CA 1.492 56.238 54.840 -0.157 0.000 0.825 127 L CB -0.977 40.990 42.059 -0.153 0.000 0.937 127 L HN 0.278 nan 8.230 nan 0.000 0.450 128 K N -1.392 118.931 120.400 -0.127 0.000 2.366 128 K HA -0.042 4.278 4.320 -0.000 0.000 0.198 128 K C 1.838 178.391 176.600 -0.079 0.000 1.044 128 K CA 1.404 57.634 56.287 -0.095 0.000 0.973 128 K CB 0.122 32.568 32.500 -0.091 0.000 0.767 128 K HN 0.477 nan 8.250 nan 0.000 0.475 129 T N -3.119 111.381 114.554 -0.090 0.000 3.010 129 T HA 0.007 4.357 4.350 -0.000 0.000 0.252 129 T C -0.133 174.527 174.700 -0.067 0.000 0.963 129 T CA -0.218 61.839 62.100 -0.071 0.000 0.952 129 T CB 0.368 69.193 68.868 -0.070 0.000 1.182 129 T HN -0.065 nan 8.240 nan 0.000 0.495 130 D N 2.926 123.277 120.400 -0.082 0.000 2.408 130 D HA 0.364 5.004 4.640 -0.000 0.000 0.261 130 D C -1.956 174.298 176.300 -0.077 0.000 1.190 130 D CA -2.457 51.502 54.000 -0.069 0.000 0.910 130 D CB 1.976 42.736 40.800 -0.067 0.000 1.097 130 D HN 0.058 nan 8.370 nan 0.000 0.522 131 P HA -0.107 nan 4.420 nan 0.000 0.236 131 P C 0.916 178.184 177.300 -0.053 0.000 1.172 131 P CA 0.754 63.818 63.100 -0.060 0.000 0.759 131 P CB 0.259 31.931 31.700 -0.046 0.000 0.843 132 T N -3.619 110.905 114.554 -0.050 0.000 3.000 132 T HA 0.309 4.659 4.350 -0.000 0.000 0.248 132 T C 1.677 176.355 174.700 -0.035 0.000 1.034 132 T CA 1.377 63.456 62.100 -0.035 0.000 1.060 132 T CB -0.489 68.367 68.868 -0.021 0.000 0.983 132 T HN 0.180 nan 8.240 nan 0.000 0.482 133 G N 1.170 109.935 108.800 -0.057 0.000 2.347 133 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.247 133 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.247 133 G C 0.801 175.692 174.900 -0.015 0.000 1.037 133 G CA 0.571 45.632 45.100 -0.064 0.000 0.622 133 G HN 0.529 nan 8.290 nan 0.000 0.521 134 L N 2.528 123.753 121.223 0.004 0.000 2.349 134 L HA 0.040 4.380 4.340 -0.000 0.000 0.220 134 L C 2.895 179.782 176.870 0.028 0.000 1.130 134 L CA 2.507 57.362 54.840 0.026 0.000 0.791 134 L CB -0.377 41.694 42.059 0.020 0.000 0.918 134 L HN 0.683 nan 8.230 nan 0.000 0.444 135 S N -3.273 112.434 115.700 0.012 0.000 2.537 135 S HA -0.048 4.422 4.470 -0.000 0.000 0.240 135 S C 1.137 175.764 174.600 0.044 0.000 0.981 135 S CA 0.543 58.753 58.200 0.016 0.000 0.948 135 S CB -0.402 62.796 63.200 -0.003 0.000 0.759 135 S HN 0.349 nan 8.310 nan 0.000 0.531 136 S N 1.613 117.353 115.700 0.065 0.000 2.474 136 S HA 0.407 4.876 4.470 -0.000 0.000 0.321 136 S C 1.188 175.871 174.600 0.139 0.000 1.080 136 S CA -0.176 58.105 58.200 0.136 0.000 1.106 136 S CB 1.261 64.585 63.200 0.206 0.000 0.984 136 S HN 0.461 nan 8.310 nan 0.000 0.464 137 T N 2.736 117.363 114.554 0.123 0.000 2.867 137 T HA -0.082 4.267 4.350 -0.000 0.000 0.268 137 T C 1.723 176.502 174.700 0.132 0.000 1.057 137 T CA 1.520 63.682 62.100 0.103 0.000 1.136 137 T CB -0.510 68.401 68.868 0.073 0.000 0.874 137 T HN 0.408 nan 8.240 nan 0.000 0.466 138 V N 1.619 121.633 119.914 0.167 0.000 2.295 138 V HA -0.073 4.047 4.120 -0.000 0.000 0.246 138 V C 2.701 178.974 176.094 0.298 0.000 1.049 138 V CA 1.616 64.028 62.300 0.187 0.000 1.024 138 V CB -0.647 31.270 31.823 0.156 0.000 0.648 138 V HN 0.503 nan 8.190 nan 0.000 0.447 139 I N 0.512 121.299 120.570 0.362 0.000 2.226 139 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 139 I C 2.720 179.017 176.117 0.300 0.000 1.100 139 I CA 1.462 62.989 61.300 0.378 0.000 1.374 139 I CB -0.689 37.446 38.000 0.225 0.000 1.057 139 I HN 0.288 nan 8.210 nan 0.000 0.413 140 A N 0.989 123.926 122.820 0.196 0.000 1.892 140 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 140 A C 2.568 180.239 177.584 0.144 0.000 1.188 140 A CA 2.230 54.351 52.037 0.140 0.000 0.631 140 A CB -0.960 18.097 19.000 0.095 0.000 0.822 140 A HN 0.452 nan 8.150 nan 0.000 0.447 141 A N -1.279 121.634 122.820 0.154 0.000 1.877 141 A HA -0.067 4.252 4.320 -0.000 0.000 0.216 141 A C 2.075 179.765 177.584 0.177 0.000 1.186 141 A CA 1.705 53.820 52.037 0.130 0.000 0.620 141 A CB -0.783 18.285 19.000 0.114 0.000 0.822 141 A HN 0.734 nan 8.150 nan 0.000 0.443 142 F N 0.770 120.782 119.950 0.103 0.000 2.095 142 F HA -0.189 4.337 4.527 -0.000 0.000 0.298 142 F C 2.261 178.182 175.800 0.201 0.000 1.104 142 F CA 2.094 60.173 58.000 0.132 0.000 1.232 142 F CB -0.414 38.637 39.000 0.085 0.000 0.987 142 F HN 0.033 nan 8.300 nan 0.000 0.475 143 V N 0.663 120.689 119.914 0.187 0.000 2.295 143 V HA -0.359 3.760 4.120 -0.000 0.000 0.246 143 V C 2.299 178.383 176.094 -0.017 0.000 1.049 143 V CA 2.350 64.684 62.300 0.057 0.000 1.024 143 V CB -1.029 30.873 31.823 0.131 0.000 0.648 143 V HN 0.494 nan 8.190 nan 0.000 0.447 144 N N -0.246 118.463 118.700 0.016 0.000 2.061 144 N HA -0.179 4.560 4.740 -0.000 0.000 0.193 144 N C 1.746 177.210 175.510 -0.077 0.000 1.030 144 N CA 1.740 54.778 53.050 -0.020 0.000 0.856 144 N CB 0.006 38.494 38.487 0.002 0.000 1.023 144 N HN 0.321 nan 8.380 nan 0.000 0.424 145 V N 0.189 120.048 119.914 -0.092 0.000 2.255 145 V HA -0.151 3.968 4.120 -0.000 0.000 0.243 145 V C 1.685 177.561 176.094 -0.364 0.000 1.038 145 V CA 1.503 63.676 62.300 -0.212 0.000 1.008 145 V CB -0.712 30.996 31.823 -0.193 0.000 0.645 145 V HN 0.240 nan 8.190 nan 0.000 0.449 146 F N 1.521 121.179 119.950 -0.487 0.000 2.365 146 F HA 0.052 4.579 4.527 -0.000 0.000 0.300 146 F C 2.343 177.947 175.800 -0.327 0.000 1.090 146 F CA 1.164 58.855 58.000 -0.515 0.000 1.408 146 F CB -1.111 37.368 39.000 -0.869 0.000 1.060 146 F HN 0.196 nan 8.300 nan 0.000 0.534 147 G N -0.574 108.159 108.800 -0.112 0.000 2.432 147 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.219 147 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.219 147 G C 1.755 176.601 174.900 -0.091 0.000 1.135 147 G CA 1.442 46.502 45.100 -0.067 0.000 0.767 147 G HN 0.409 nan 8.290 nan 0.000 0.550 148 T N -0.724 113.740 114.554 -0.150 0.000 3.035 148 T HA 0.124 4.474 4.350 -0.000 0.000 0.268 148 T C 2.175 176.769 174.700 -0.176 0.000 1.109 148 T CA 0.597 62.607 62.100 -0.150 0.000 1.119 148 T CB -0.176 68.589 68.868 -0.171 0.000 0.900 148 T HN 0.225 nan 8.240 nan 0.000 0.503 149 L N 1.102 122.172 121.223 -0.254 0.000 2.558 149 L HA 0.290 4.630 4.340 -0.000 0.000 0.225 149 L C 0.501 177.367 176.870 -0.008 0.000 1.128 149 L CA -0.326 54.351 54.840 -0.272 0.000 0.868 149 L CB -0.180 41.444 42.059 -0.725 0.000 1.006 149 L HN 0.125 nan 8.230 nan 0.000 0.454 150 V N 0.596 120.517 119.914 0.011 0.000 2.529 150 V HA 0.013 4.132 4.120 -0.000 0.000 0.292 150 V C 0.670 176.802 176.094 0.063 0.000 1.028 150 V CA 0.203 62.553 62.300 0.083 0.000 1.074 150 V CB 0.875 32.744 31.823 0.076 0.000 0.958 150 V HN 0.184 nan 8.190 nan 0.000 0.481 151 S N 2.879 118.624 115.700 0.074 0.000 2.617 151 S HA 0.397 4.866 4.470 -0.000 0.000 0.283 151 S C 0.540 175.137 174.600 -0.006 0.000 1.189 151 S CA -0.504 57.712 58.200 0.027 0.000 1.036 151 S CB 1.396 64.606 63.200 0.017 0.000 1.014 151 S HN 0.957 nan 8.310 nan 0.000 0.522 152 S N 1.139 116.814 115.700 -0.041 0.000 3.524 152 S HA -0.126 4.344 4.470 -0.000 0.000 0.377 152 S C -0.180 174.349 174.600 -0.118 0.000 0.949 152 S CA 0.822 58.973 58.200 -0.083 0.000 1.264 152 S CB -1.194 61.970 63.200 -0.060 0.000 0.918 152 S HN 0.793 nan 8.310 nan 0.000 0.517 153 S N -0.684 114.917 115.700 -0.164 0.000 2.588 153 S HA 0.659 5.128 4.470 -0.000 0.000 0.275 153 S C 0.045 174.457 174.600 -0.313 0.000 1.130 153 S CA -0.815 57.284 58.200 -0.169 0.000 0.855 153 S CB 1.044 64.241 63.200 -0.006 0.000 1.116 153 S HN 0.421 nan 8.310 nan 0.000 0.472 154 H N 1.897 120.993 119.070 0.043 0.000 2.705 154 H HA 0.420 4.976 4.556 -0.000 0.000 0.269 154 H C -0.223 175.121 175.328 0.026 0.000 0.998 154 H CA -0.018 56.048 56.048 0.030 0.000 1.193 154 H CB 0.403 30.181 29.762 0.026 0.000 1.485 154 H HN 0.416 nan 8.280 nan 0.000 0.521 155 N N 0.901 119.664 118.700 0.105 0.000 2.697 155 N HA -0.011 4.728 4.740 -0.000 0.000 0.253 155 N C 1.024 176.560 175.510 0.043 0.000 1.604 155 N CA 0.223 53.315 53.050 0.071 0.000 0.772 155 N CB 1.163 39.690 38.487 0.068 0.000 1.267 155 N HN 0.232 nan 8.380 nan 0.000 0.510 156 T N -2.333 112.240 114.554 0.032 0.000 2.759 156 T HA -0.144 4.206 4.350 -0.000 0.000 0.269 156 T C 1.129 175.837 174.700 0.013 0.000 1.042 156 T CA 1.337 63.450 62.100 0.023 0.000 1.140 156 T CB 0.121 68.992 68.868 0.006 0.000 0.864 156 T HN 0.000 nan 8.240 nan 0.000 0.455 157 D N 1.176 121.581 120.400 0.009 0.000 2.117 157 D HA -0.044 4.596 4.640 -0.000 0.000 0.198 157 D C 2.484 178.786 176.300 0.003 0.000 0.982 157 D CA 1.044 55.048 54.000 0.007 0.000 0.828 157 D CB -0.363 40.443 40.800 0.010 0.000 0.967 157 D HN 0.572 nan 8.370 nan 0.000 0.464 158 Q N 0.107 119.902 119.800 -0.009 0.000 2.046 158 Q HA -0.135 4.205 4.340 -0.000 0.000 0.200 158 Q C 1.505 177.440 176.000 -0.108 0.000 0.975 158 Q CA 1.152 56.929 55.803 -0.043 0.000 0.836 158 Q CB 0.036 28.754 28.738 -0.033 0.000 0.896 158 Q HN 0.223 nan 8.270 nan 0.000 0.428 159 D N 0.314 120.659 120.400 -0.091 0.000 2.178 159 D HA -0.130 4.510 4.640 -0.000 0.000 0.201 159 D C 1.652 177.877 176.300 -0.125 0.000 0.980 159 D CA 1.168 55.064 54.000 -0.173 0.000 0.842 159 D CB -0.192 40.654 40.800 0.077 0.000 0.948 159 D HN 0.275 nan 8.370 nan 0.000 0.472 160 A N 0.353 123.168 122.820 -0.009 0.000 1.902 160 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 160 A C 2.288 179.941 177.584 0.115 0.000 1.181 160 A CA 0.942 53.016 52.037 0.060 0.000 0.623 160 A CB -0.625 18.388 19.000 0.021 0.000 0.818 160 A HN 0.236 nan 8.150 nan 0.000 0.443 161 L N -1.226 120.027 121.223 0.050 0.000 2.179 161 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 161 L C 3.058 179.860 176.870 -0.114 0.000 1.096 161 L CA 0.747 55.610 54.840 0.038 0.000 0.779 161 L CB -0.550 41.505 42.059 -0.006 0.000 0.922 161 L HN 0.435 nan 8.230 nan 0.000 0.443 162 A N 0.522 123.167 122.820 -0.291 0.000 1.940 162 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 162 A C 2.470 179.818 177.584 -0.393 0.000 1.176 162 A CA 1.745 53.462 52.037 -0.534 0.000 0.631 162 A CB -0.618 17.675 19.000 -1.178 0.000 0.814 162 A HN 0.396 nan 8.150 nan 0.000 0.446 163 A N -0.603 122.081 122.820 -0.228 0.000 2.125 163 A HA 0.051 4.370 4.320 -0.000 0.000 0.219 163 A C 1.944 179.577 177.584 0.081 0.000 1.156 163 A CA 1.308 53.424 52.037 0.132 0.000 0.671 163 A CB -0.516 18.638 19.000 0.256 0.000 0.794 163 A HN 0.509 nan 8.150 nan 0.000 0.459 164 L N -1.631 119.595 121.223 0.005 0.000 2.446 164 L HA -0.003 4.336 4.340 -0.000 0.000 0.219 164 L C 2.531 179.363 176.870 -0.062 0.000 1.116 164 L CA 0.242 55.059 54.840 -0.039 0.000 0.844 164 L CB -0.358 41.639 42.059 -0.104 0.000 0.970 164 L HN 0.324 nan 8.230 nan 0.000 0.457 165 R N 0.334 120.800 120.500 -0.056 0.000 2.091 165 R HA -0.161 4.179 4.340 -0.000 0.000 0.238 165 R C 2.281 178.559 176.300 -0.037 0.000 1.136 165 R CA 2.050 58.119 56.100 -0.053 0.000 0.959 165 R CB -0.821 29.457 30.300 -0.037 0.000 0.856 165 R HN 0.449 nan 8.270 nan 0.000 0.437 166 T N -1.177 113.363 114.554 -0.024 0.000 3.113 166 T HA 0.060 4.410 4.350 -0.000 0.000 0.263 166 T C 1.546 176.201 174.700 -0.075 0.000 1.143 166 T CA 0.597 62.666 62.100 -0.052 0.000 1.090 166 T CB -0.023 68.799 68.868 -0.078 0.000 0.922 166 T HN 0.140 nan 8.240 nan 0.000 0.521 167 L N 2.168 123.352 121.223 -0.065 0.000 2.628 167 L HA 0.239 4.579 4.340 -0.000 0.000 0.229 167 L C 1.290 178.126 176.870 -0.057 0.000 1.137 167 L CA -0.308 54.489 54.840 -0.072 0.000 0.909 167 L CB -0.713 41.302 42.059 -0.073 0.000 1.137 167 L HN 0.374 nan 8.230 nan 0.000 0.470 168 T N -4.133 110.391 114.554 -0.051 0.000 2.802 168 T HA 0.039 4.389 4.350 -0.000 0.000 0.305 168 T C 1.344 176.035 174.700 -0.015 0.000 1.053 168 T CA -0.188 61.887 62.100 -0.043 0.000 1.058 168 T CB 1.270 70.108 68.868 -0.049 0.000 0.988 168 T HN -0.000 nan 8.240 nan 0.000 0.539 169 T N 1.576 116.127 114.554 -0.007 0.000 2.720 169 T HA -0.073 4.276 4.350 -0.000 0.000 0.268 169 T C 2.381 177.097 174.700 0.027 0.000 1.037 169 T CA 1.461 63.571 62.100 0.016 0.000 1.144 169 T CB -0.822 68.055 68.868 0.017 0.000 0.864 169 T HN 0.809 nan 8.240 nan 0.000 0.444 170 A N 1.321 124.150 122.820 0.015 0.000 1.902 170 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 170 A C 2.414 180.022 177.584 0.041 0.000 1.181 170 A CA 1.126 53.178 52.037 0.025 0.000 0.623 170 A CB -0.463 18.543 19.000 0.010 0.000 0.818 170 A HN 0.320 nan 8.150 nan 0.000 0.443 171 Q N -0.283 119.536 119.800 0.031 0.000 2.046 171 Q HA -0.135 4.205 4.340 -0.000 0.000 0.200 171 Q C 2.434 178.488 176.000 0.091 0.000 0.975 171 Q CA 2.273 58.104 55.803 0.047 0.000 0.836 171 Q CB -1.170 27.574 28.738 0.011 0.000 0.896 171 Q HN 0.867 nan 8.270 nan 0.000 0.428 172 T N -0.962 113.634 114.554 0.070 0.000 2.833 172 T HA -0.017 4.333 4.350 -0.000 0.000 0.269 172 T C 1.986 176.795 174.700 0.182 0.000 1.054 172 T CA 1.295 63.471 62.100 0.128 0.000 1.135 172 T CB -0.265 68.651 68.868 0.080 0.000 0.869 172 T HN 0.239 nan 8.240 nan 0.000 0.466 173 A N 1.774 124.670 122.820 0.126 0.000 1.902 173 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 173 A C 2.647 180.307 177.584 0.127 0.000 1.181 173 A CA 2.208 54.312 52.037 0.113 0.000 0.623 173 A CB -1.529 17.517 19.000 0.076 0.000 0.818 173 A HN 0.549 nan 8.150 nan 0.000 0.443 174 T N -1.739 112.896 114.554 0.135 0.000 2.708 174 T HA -0.155 4.194 4.350 -0.000 0.000 0.266 174 T C 1.812 176.634 174.700 0.204 0.000 1.037 174 T CA 1.642 63.825 62.100 0.138 0.000 1.146 174 T CB -0.435 68.510 68.868 0.129 0.000 0.865 174 T HN 0.526 nan 8.240 nan 0.000 0.435 175 Y N 2.719 123.101 120.300 0.137 0.000 2.165 175 Y HA -0.182 4.367 4.550 -0.000 0.000 0.286 175 Y C 2.241 178.297 175.900 0.261 0.000 1.155 175 Y CA 1.271 59.509 58.100 0.230 0.000 1.164 175 Y CB -0.436 38.119 38.460 0.158 0.000 0.978 175 Y HN 0.132 nan 8.280 nan 0.000 0.513 176 N N 0.126 118.974 118.700 0.246 0.000 2.244 176 N HA -0.167 4.573 4.740 -0.000 0.000 0.183 176 N C 1.970 177.516 175.510 0.060 0.000 1.016 176 N CA 1.377 54.520 53.050 0.156 0.000 0.866 176 N CB -0.453 38.140 38.487 0.176 0.000 0.980 176 N HN 0.411 nan 8.380 nan 0.000 0.430 177 R N 0.905 121.436 120.500 0.052 0.000 2.090 177 R HA 0.082 4.421 4.340 -0.000 0.000 0.228 177 R C 1.349 177.592 176.300 -0.095 0.000 1.110 177 R CA 1.342 57.438 56.100 -0.007 0.000 0.973 177 R CB -0.031 30.275 30.300 0.009 0.000 0.869 177 R HN 0.312 nan 8.270 nan 0.000 0.440 178 N N -1.281 117.332 118.700 -0.145 0.000 2.354 178 N HA -0.050 4.690 4.740 -0.000 0.000 0.179 178 N C -0.440 174.563 175.510 -0.846 0.000 1.021 178 N CA 0.570 53.367 53.050 -0.421 0.000 0.887 178 N CB 0.290 38.548 38.487 -0.381 0.000 0.974 178 N HN 0.068 nan 8.380 nan 0.000 0.437 179 F N 0.743 120.549 119.950 -0.240 0.000 2.622 179 F HA 0.394 4.920 4.527 -0.000 0.000 0.338 179 F C -2.404 173.320 175.800 -0.128 0.000 1.334 179 F CA -2.344 55.508 58.000 -0.246 0.000 1.179 179 F CB 0.876 39.581 39.000 -0.491 0.000 1.471 179 F HN -0.235 nan 8.300 nan 0.000 0.576 180 P HA 0.169 nan 4.420 nan 0.000 0.270 180 P C -0.253 177.102 177.300 0.093 0.000 1.223 180 P CA -0.075 63.052 63.100 0.044 0.000 0.785 180 P CB 1.457 33.159 31.700 0.002 0.000 0.923 181 S N -0.096 115.671 115.700 0.113 0.000 2.546 181 S HA 0.537 5.007 4.470 -0.000 0.000 0.272 181 S C 0.817 175.458 174.600 0.068 0.000 1.140 181 S CA -0.164 58.121 58.200 0.142 0.000 0.920 181 S CB 0.967 64.353 63.200 0.310 0.000 1.083 181 S HN 0.387 nan 8.310 nan 0.000 0.476 182 A N 3.423 126.253 122.820 0.017 0.000 2.070 182 A HA 0.145 4.464 4.320 -0.000 0.000 0.220 182 A C 1.947 179.467 177.584 -0.107 0.000 1.159 182 A CA 1.776 53.790 52.037 -0.039 0.000 0.656 182 A CB -1.088 17.878 19.000 -0.056 0.000 0.800 182 A HN 1.163 nan 8.150 nan 0.000 0.453 183 G N -0.771 107.913 108.800 -0.193 0.000 2.559 183 G HA2 0.160 4.120 3.960 -0.000 0.000 0.216 183 G HA3 0.160 4.120 3.960 -0.000 0.000 0.216 183 G C 0.593 175.322 174.900 -0.284 0.000 1.126 183 G CA 0.124 44.915 45.100 -0.514 0.000 0.778 183 G HN 0.430 nan 8.290 nan 0.000 0.543 184 L N 0.619 121.822 121.223 -0.034 0.000 2.334 184 L HA 0.550 4.890 4.340 -0.000 0.000 0.277 184 L C 1.169 178.048 176.870 0.014 0.000 1.075 184 L CA -0.821 54.048 54.840 0.049 0.000 0.804 184 L CB 1.530 43.659 42.059 0.116 0.000 1.174 184 L HN 0.099 nan 8.230 nan 0.000 0.438 185 G N 0.927 109.743 108.800 0.027 0.000 2.588 185 G HA2 0.541 4.501 3.960 -0.000 0.000 0.281 185 G HA3 0.541 4.501 3.960 -0.000 0.000 0.281 185 G C -0.283 174.635 174.900 0.030 0.000 1.236 185 G CA -0.342 44.769 45.100 0.019 0.000 0.969 185 G HN 0.787 nan 8.290 nan 0.000 0.504 186 A N 0.175 123.009 122.820 0.023 0.000 2.466 186 A HA 0.529 4.849 4.320 -0.000 0.000 0.238 186 A C -2.039 175.566 177.584 0.034 0.000 1.074 186 A CA -0.690 51.361 52.037 0.024 0.000 0.774 186 A CB -0.251 18.759 19.000 0.017 0.000 1.015 186 A HN 0.454 nan 8.150 nan 0.000 0.498 187 P HA 0.279 nan 4.420 nan 0.000 0.268 187 P C 0.911 178.232 177.300 0.034 0.000 1.204 187 P CA 1.623 64.746 63.100 0.039 0.000 0.768 187 P CB 0.579 32.300 31.700 0.035 0.000 0.842 188 G N 2.548 111.371 108.800 0.039 0.000 2.166 188 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.260 188 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.260 188 G C 0.995 175.914 174.900 0.032 0.000 0.986 188 G CA 0.705 45.825 45.100 0.034 0.000 0.683 188 G HN 0.624 nan 8.290 nan 0.000 0.527 189 S N -1.810 113.910 115.700 0.034 0.000 2.492 189 S HA 0.174 4.644 4.470 -0.000 0.000 0.218 189 S C 1.703 176.323 174.600 0.034 0.000 1.016 189 S CA 1.224 59.442 58.200 0.030 0.000 0.916 189 S CB 0.141 63.357 63.200 0.026 0.000 0.791 189 S HN 2.067 nan 8.310 nan 0.000 0.513 190 c N 2.189 120.815 118.600 0.044 0.000 4.235 190 c HA -0.119 4.451 4.570 -0.000 0.000 0.301 190 c C -0.190 173.928 174.090 0.048 0.000 1.409 190 c CA 0.385 56.744 56.329 0.050 0.000 2.024 190 c CB -2.642 39.895 42.510 0.046 0.000 1.286 190 c HN 0.731 nan 8.230 nan 0.000 0.746 191 Q N 0.231 120.058 119.800 0.045 0.000 2.413 191 Q HA 0.566 4.905 4.340 -0.000 0.000 0.276 191 Q C 0.203 176.227 176.000 0.039 0.000 1.099 191 Q CA -0.064 55.762 55.803 0.037 0.000 0.814 191 Q CB 2.010 30.762 28.738 0.024 0.000 1.379 191 Q HN 0.613 nan 8.270 nan 0.000 0.436 192 T N -0.487 114.086 114.554 0.032 0.000 2.810 192 T HA 0.613 4.962 4.350 -0.000 0.000 0.277 192 T C 0.407 175.095 174.700 -0.019 0.000 0.973 192 T CA 0.301 62.410 62.100 0.016 0.000 0.949 192 T CB 0.824 69.704 68.868 0.020 0.000 1.075 192 T HN 0.647 nan 8.240 nan 0.000 0.537 193 G N 0.081 108.842 108.800 -0.066 0.000 2.945 193 G HA2 0.633 4.593 3.960 -0.000 0.000 0.156 193 G HA3 0.633 4.593 3.960 -0.000 0.000 0.156 193 G C -0.186 174.647 174.900 -0.112 0.000 1.375 193 G CA -0.108 44.941 45.100 -0.084 0.000 1.039 193 G HN 0.989 nan 8.290 nan 0.000 0.586 194 A N -1.137 121.600 122.820 -0.138 0.000 2.322 194 A HA 0.597 4.916 4.320 -0.000 0.000 0.269 194 A C 1.441 178.909 177.584 -0.194 0.000 1.094 194 A CA 0.569 52.525 52.037 -0.134 0.000 0.807 194 A CB 0.878 19.810 19.000 -0.112 0.000 1.047 194 A HN 1.467 nan 8.150 nan 0.000 0.487 195 A N 0.757 123.481 122.820 -0.160 0.000 2.067 195 A HA 0.351 4.670 4.320 -0.000 0.000 0.217 195 A C 1.224 178.670 177.584 -0.229 0.000 1.156 195 A CA 1.720 53.634 52.037 -0.204 0.000 0.683 195 A CB -0.532 18.381 19.000 -0.145 0.000 0.808 195 A HN 1.481 nan 8.150 nan 0.000 0.455 196 T N -2.210 112.246 114.554 -0.163 0.000 2.865 196 T HA 0.621 4.971 4.350 -0.000 0.000 0.294 196 T C -1.020 173.618 174.700 -0.104 0.000 1.119 196 T CA -0.395 61.632 62.100 -0.122 0.000 1.007 196 T CB 1.860 70.678 68.868 -0.083 0.000 1.225 196 T HN 0.452 nan 8.240 nan 0.000 0.515 197 E N -0.188 119.963 120.200 -0.082 0.000 2.366 197 E HA 0.596 4.945 4.350 -0.000 0.000 0.278 197 E C -1.619 174.885 176.600 -0.159 0.000 0.923 197 E CA -1.131 55.216 56.400 -0.090 0.000 0.761 197 E CB 1.982 31.660 29.700 -0.038 0.000 1.231 197 E HN 0.522 nan 8.360 nan 0.000 0.443 198 T N 1.551 116.017 114.554 -0.146 0.000 2.833 198 T HA 0.443 4.793 4.350 -0.000 0.000 0.297 198 T C -0.941 173.663 174.700 -0.160 0.000 1.015 198 T CA -0.572 61.424 62.100 -0.174 0.000 0.963 198 T CB 1.003 69.806 68.868 -0.109 0.000 0.955 198 T HN 0.344 nan 8.240 nan 0.000 0.449 199 V N 2.054 121.834 119.914 -0.223 0.000 2.525 199 V HA 0.692 4.812 4.120 -0.000 0.000 0.299 199 V C 0.955 176.989 176.094 -0.099 0.000 1.034 199 V CA -0.630 61.591 62.300 -0.132 0.000 0.863 199 V CB 1.326 33.097 31.823 -0.087 0.000 0.999 199 V HN 1.130 nan 8.190 nan 0.000 0.423 200 G N 3.400 112.166 108.800 -0.057 0.000 2.249 200 G HA2 0.031 3.991 3.960 -0.000 0.000 0.273 200 G HA3 0.031 3.991 3.960 -0.000 0.000 0.273 200 G C 1.193 176.065 174.900 -0.047 0.000 1.036 200 G CA 0.652 45.728 45.100 -0.039 0.000 0.824 200 G HN 2.413 nan 8.290 nan 0.000 0.504 201 G N -2.003 106.760 108.800 -0.061 0.000 2.180 201 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.263 201 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.263 201 G C 0.457 175.314 174.900 -0.072 0.000 0.989 201 G CA 1.089 46.154 45.100 -0.059 0.000 0.692 201 G HN 1.798 nan 8.290 nan 0.000 0.526 202 S N -0.263 115.371 115.700 -0.110 0.000 2.462 202 S HA 0.548 5.017 4.470 -0.000 0.000 0.294 202 S C 0.015 174.451 174.600 -0.272 0.000 1.144 202 S CA -0.514 57.609 58.200 -0.128 0.000 1.088 202 S CB 1.950 65.116 63.200 -0.055 0.000 1.009 202 S HN 0.513 nan 8.310 nan 0.000 0.484 203 Q N 2.008 121.715 119.800 -0.156 0.000 2.261 203 Q HA 0.273 4.613 4.340 -0.000 0.000 0.252 203 Q C -1.143 174.803 176.000 -0.090 0.000 0.915 203 Q CA -0.294 55.411 55.803 -0.162 0.000 0.915 203 Q CB 0.495 29.199 28.738 -0.057 0.000 1.204 203 Q HN 0.740 nan 8.270 nan 0.000 0.421 204 H N 2.857 121.924 119.070 -0.005 0.000 2.495 204 H HA 0.372 4.927 4.556 -0.000 0.000 0.348 204 H C -0.742 174.579 175.328 -0.012 0.000 1.113 204 H CA -0.978 55.076 56.048 0.010 0.000 1.195 204 H CB 1.383 31.162 29.762 0.029 0.000 1.521 204 H HN 0.456 nan 8.280 nan 0.000 0.509 205 L N 4.453 125.765 121.223 0.150 0.000 2.331 205 L HA 0.277 4.617 4.340 -0.000 0.000 0.278 205 L C -0.533 176.310 176.870 -0.046 0.000 1.106 205 L CA -0.342 54.497 54.840 -0.000 0.000 0.824 205 L CB 0.593 42.711 42.059 0.099 0.000 1.142 205 L HN 0.383 nan 8.230 nan 0.000 0.443 206 L N 4.172 125.227 121.223 -0.280 0.000 2.333 206 L HA 0.549 4.888 4.340 -0.000 0.000 0.280 206 L C -1.069 175.589 176.870 -0.354 0.000 1.004 206 L CA -0.621 54.092 54.840 -0.212 0.000 0.820 206 L CB 1.321 43.136 42.059 -0.406 0.000 1.247 206 L HN 0.431 nan 8.230 nan 0.000 0.416 207 Y N 0.577 121.018 120.300 0.235 0.000 2.609 207 Y HA 0.706 5.256 4.550 -0.000 0.000 0.342 207 Y C 0.119 176.222 175.900 0.338 0.000 1.058 207 Y CA -0.733 57.536 58.100 0.282 0.000 1.055 207 Y CB 2.554 41.247 38.460 0.389 0.000 1.292 207 Y HN 0.614 nan 8.280 nan 0.000 0.476 208 S N -0.181 115.828 115.700 0.515 0.000 2.611 208 S HA 0.796 5.266 4.470 -0.000 0.000 0.268 208 S C -1.976 172.950 174.600 0.543 0.000 1.156 208 S CA -0.907 57.528 58.200 0.391 0.000 0.817 208 S CB 1.740 65.197 63.200 0.428 0.000 1.122 208 S HN 0.990 nan 8.310 nan 0.000 0.466 209 W N -0.356 121.110 121.300 0.277 0.000 3.005 209 W HA 0.881 5.540 4.660 -0.001 0.000 0.343 209 W C -0.517 176.201 176.519 0.331 0.000 1.243 209 W CA -0.419 57.111 57.345 0.308 0.000 1.186 209 W CB 0.570 30.263 29.460 0.388 0.000 1.453 209 W HN 1.252 nan 8.180 nan 0.000 0.575 210 G N -0.455 108.744 108.800 0.666 0.000 2.645 210 G HA2 0.632 4.591 3.960 -0.000 0.000 0.292 210 G HA3 0.632 4.591 3.960 -0.000 0.000 0.292 210 G C -1.365 173.882 174.900 0.580 0.000 1.415 210 G CA -0.281 45.127 45.100 0.513 0.000 0.785 210 G HN 1.164 nan 8.290 nan 0.000 0.483 211 G N -1.442 107.655 108.800 0.494 0.000 2.432 211 G HA2 0.590 4.549 3.960 -0.000 0.000 0.331 211 G HA3 0.590 4.549 3.960 -0.000 0.000 0.331 211 G C 0.174 175.226 174.900 0.253 0.000 1.170 211 G CA 0.154 45.517 45.100 0.438 0.000 0.943 211 G HN 1.275 nan 8.290 nan 0.000 0.483 212 T N -1.828 112.807 114.554 0.136 0.000 3.533 212 T HA 0.479 4.829 4.350 -0.000 0.000 0.275 212 T C 1.507 176.241 174.700 0.057 0.000 1.000 212 T CA 0.618 62.760 62.100 0.070 0.000 1.015 212 T CB 0.844 69.715 68.868 0.006 0.000 1.153 212 T HN 0.712 nan 8.240 nan 0.000 0.504 213 A N 1.785 124.683 122.820 0.131 0.000 1.908 213 A HA 0.165 4.484 4.320 -0.000 0.000 0.218 213 A C 1.126 178.777 177.584 0.113 0.000 1.181 213 A CA 0.723 52.852 52.037 0.153 0.000 0.627 213 A CB -0.446 18.678 19.000 0.208 0.000 0.818 213 A HN 0.650 nan 8.150 nan 0.000 0.445 214 I N 1.214 121.838 120.570 0.090 0.000 2.337 214 I HA 0.251 4.420 4.170 -0.000 0.000 0.291 214 I C -0.342 175.801 176.117 0.044 0.000 1.046 214 I CA 0.037 61.372 61.300 0.059 0.000 1.324 214 I CB 0.207 38.231 38.000 0.039 0.000 1.409 214 I HN 0.318 nan 8.210 nan 0.000 0.494 215 Q N 7.829 127.653 119.800 0.040 0.000 2.345 215 Q HA 0.515 4.855 4.340 -0.000 0.000 0.268 215 Q C -2.439 173.573 176.000 0.020 0.000 1.054 215 Q CA -1.813 54.008 55.803 0.030 0.000 0.835 215 Q CB 2.646 31.406 28.738 0.038 0.000 1.339 215 Q HN 0.358 nan 8.270 nan 0.000 0.447 216 P HA 0.091 nan 4.420 nan 0.000 0.275 216 P C -0.563 176.743 177.300 0.010 0.000 1.227 216 P CA 0.010 63.115 63.100 0.009 0.000 0.781 216 P CB 0.835 32.539 31.700 0.007 0.000 0.906 217 T N -2.526 112.032 114.554 0.007 0.000 2.906 217 T HA 0.339 4.688 4.350 -0.000 0.000 0.295 217 T C 1.069 175.772 174.700 0.004 0.000 1.075 217 T CA -0.493 61.612 62.100 0.007 0.000 1.005 217 T CB 1.018 69.890 68.868 0.008 0.000 1.136 217 T HN 0.296 nan 8.240 nan 0.000 0.498 218 S N 0.188 115.891 115.700 0.005 0.000 2.607 218 S HA 0.155 4.624 4.470 -0.000 0.000 0.224 218 S C 0.856 175.457 174.600 0.003 0.000 0.969 218 S CA 0.245 58.447 58.200 0.004 0.000 0.927 218 S CB -0.418 62.784 63.200 0.005 0.000 0.772 218 S HN 0.881 nan 8.310 nan 0.000 0.533 224 T N 2.462 117.008 114.554 -0.013 0.000 2.929 224 T HA 0.644 4.994 4.350 -0.000 0.000 0.284 224 T C 1.055 175.748 174.700 -0.013 0.000 1.014 224 T CA 0.687 62.782 62.100 -0.009 0.000 1.051 224 T CB 1.570 70.433 68.868 -0.008 0.000 1.028 224 T HN 1.878 nan 8.240 nan 0.000 0.485 225 G N 0.755 109.551 108.800 -0.008 0.000 2.162 225 G HA2 0.051 4.010 3.960 -0.000 0.000 0.260 225 G HA3 0.051 4.010 3.960 -0.000 0.000 0.260 225 G C 0.084 174.980 174.900 -0.007 0.000 0.976 225 G CA 0.193 45.289 45.100 -0.007 0.000 0.655 225 G HN 1.207 nan 8.290 nan 0.000 0.533 226 A N -1.763 121.053 122.820 -0.006 0.000 2.587 226 A HA 0.951 5.271 4.320 -0.000 0.000 0.293 226 A C -0.390 177.198 177.584 0.006 0.000 1.087 226 A CA 0.575 52.611 52.037 -0.001 0.000 0.692 226 A CB 1.860 20.853 19.000 -0.010 0.000 1.291 226 A HN 1.380 nan 8.150 nan 0.000 0.407 227 T N -0.164 114.400 114.554 0.016 0.000 2.909 227 T HA 0.520 4.869 4.350 -0.000 0.000 0.299 227 T C -1.979 172.743 174.700 0.037 0.000 1.073 227 T CA -0.336 61.778 62.100 0.023 0.000 0.999 227 T CB 1.529 70.411 68.868 0.024 0.000 1.098 227 T HN 0.667 nan 8.240 nan 0.000 0.477 228 D N 1.895 122.320 120.400 0.042 0.000 2.396 228 D HA 0.251 4.890 4.640 -0.000 0.000 0.225 228 D C 1.414 177.760 176.300 0.077 0.000 1.121 228 D CA -0.262 53.775 54.000 0.062 0.000 0.853 228 D CB 1.393 42.226 40.800 0.055 0.000 1.043 228 D HN 0.622 nan 8.370 nan 0.000 0.500 229 T N -0.317 114.303 114.554 0.110 0.000 3.148 229 T HA -0.067 4.282 4.350 -0.000 0.000 0.253 229 T C 1.579 176.368 174.700 0.149 0.000 1.134 229 T CA 0.664 62.845 62.100 0.134 0.000 1.051 229 T CB -0.160 68.831 68.868 0.206 0.000 0.959 229 T HN 0.220 nan 8.240 nan 0.000 0.525 230 S N 1.312 117.109 115.700 0.162 0.000 2.461 230 S HA 0.057 4.527 4.470 -0.000 0.000 0.228 230 S C 1.076 175.735 174.600 0.098 0.000 1.005 230 S CA 0.220 58.525 58.200 0.176 0.000 0.942 230 S CB -0.725 62.608 63.200 0.223 0.000 0.776 230 S HN 0.777 nan 8.310 nan 0.000 0.514 231 T N -1.202 113.392 114.554 0.067 0.000 2.918 231 T HA 0.764 5.114 4.350 -0.000 0.000 0.286 231 T C 0.547 175.259 174.700 0.021 0.000 1.026 231 T CA -0.392 61.733 62.100 0.041 0.000 1.031 231 T CB 1.431 70.321 68.868 0.037 0.000 1.046 231 T HN 0.242 nan 8.240 nan 0.000 0.479 232 G N 0.476 109.284 108.800 0.012 0.000 2.509 232 G HA2 0.414 4.374 3.960 -0.000 0.000 0.269 232 G HA3 0.414 4.374 3.960 -0.000 0.000 0.269 232 G C 1.223 176.127 174.900 0.006 0.000 1.416 232 G CA 0.014 45.116 45.100 0.003 0.000 1.052 232 G HN 0.975 nan 8.290 nan 0.000 0.542 233 T N -1.483 113.072 114.554 0.003 0.000 2.595 233 T HA -0.122 4.227 4.350 -0.000 0.000 0.264 233 T C 1.011 175.713 174.700 0.003 0.000 1.058 233 T CA 1.041 63.143 62.100 0.003 0.000 1.166 233 T CB -0.243 68.626 68.868 0.001 0.000 0.863 233 T HN 0.260 nan 8.240 nan 0.000 0.415 234 L N 2.040 123.264 121.223 0.002 0.000 2.356 234 L HA 0.494 4.833 4.340 -0.000 0.000 0.264 234 L C -1.308 175.563 176.870 0.001 0.000 1.029 234 L CA -0.583 54.257 54.840 0.001 0.000 0.897 234 L CB 1.148 43.207 42.059 -0.000 0.000 1.256 234 L HN 0.178 nan 8.230 nan 0.000 0.444 235 D N 2.222 122.623 120.400 0.003 0.000 2.217 235 D HA 0.156 4.796 4.640 -0.000 0.000 0.243 235 D C 1.299 177.598 176.300 -0.000 0.000 1.054 235 D CA -0.202 53.800 54.000 0.004 0.000 0.838 235 D CB 2.341 43.148 40.800 0.010 0.000 1.162 235 D HN 0.364 nan 8.370 nan 0.000 0.472 236 V N 2.764 122.677 119.914 -0.002 0.000 2.568 236 V HA -0.151 3.969 4.120 -0.000 0.000 0.253 236 V C 2.007 178.093 176.094 -0.013 0.000 1.072 236 V CA 1.844 64.139 62.300 -0.008 0.000 1.084 236 V CB -1.048 30.770 31.823 -0.008 0.000 0.676 236 V HN 0.552 nan 8.190 nan 0.000 0.469 237 A N 0.929 123.744 122.820 -0.008 0.000 2.019 237 A HA -0.205 4.114 4.320 -0.000 0.000 0.219 237 A C 1.992 179.564 177.584 -0.019 0.000 1.164 237 A CA 2.076 54.105 52.037 -0.014 0.000 0.644 237 A CB -1.148 17.853 19.000 0.002 0.000 0.805 237 A HN 0.728 nan 8.150 nan 0.000 0.449 238 N N -0.930 117.763 118.700 -0.011 0.000 2.396 238 N HA -0.030 4.710 4.740 -0.000 0.000 0.180 238 N C 1.220 176.716 175.510 -0.023 0.000 1.028 238 N CA 0.984 54.026 53.050 -0.013 0.000 0.893 238 N CB 0.107 38.591 38.487 -0.005 0.000 0.967 238 N HN 0.324 nan 8.380 nan 0.000 0.440 239 V N -0.466 119.432 119.914 -0.027 0.000 2.806 239 V HA -0.052 4.067 4.120 -0.000 0.000 0.239 239 V C 2.208 178.275 176.094 -0.045 0.000 1.113 239 V CA 1.508 63.789 62.300 -0.032 0.000 1.137 239 V CB 0.100 31.908 31.823 -0.024 0.000 0.865 239 V HN 0.402 nan 8.190 nan 0.000 0.482 240 T N -2.334 112.192 114.554 -0.048 0.000 3.113 240 T HA -0.005 4.345 4.350 -0.000 0.000 0.256 240 T C 0.457 175.104 174.700 -0.087 0.000 1.131 240 T CA 0.660 62.723 62.100 -0.062 0.000 1.074 240 T CB 0.005 68.841 68.868 -0.052 0.000 0.944 240 T HN 0.337 nan 8.240 nan 0.000 0.516 241 D N 1.779 122.126 120.400 -0.087 0.000 2.421 241 D HA 0.300 4.940 4.640 -0.000 0.000 0.254 241 D C -1.983 174.249 176.300 -0.112 0.000 1.238 241 D CA -2.528 51.401 54.000 -0.119 0.000 0.919 241 D CB 2.201 42.933 40.800 -0.113 0.000 1.152 241 D HN -0.070 nan 8.370 nan 0.000 0.552 242 P HA -0.126 nan 4.420 nan 0.000 0.225 242 P C 1.107 178.330 177.300 -0.129 0.000 1.148 242 P CA 0.660 63.685 63.100 -0.126 0.000 0.779 242 P CB 0.196 31.808 31.700 -0.148 0.000 0.780 243 S N -1.479 114.113 115.700 -0.180 0.000 2.481 243 S HA -0.076 4.393 4.470 -0.000 0.000 0.231 243 S C 1.760 176.346 174.600 -0.023 0.000 0.996 243 S CA 1.250 59.365 58.200 -0.142 0.000 0.942 243 S CB -1.680 61.368 63.200 -0.255 0.000 0.768 243 S HN 0.119 nan 8.310 nan 0.000 0.520 244 T N 3.470 118.003 114.554 -0.034 0.000 2.622 244 T HA 0.021 4.371 4.350 -0.000 0.000 0.266 244 T C 1.701 176.412 174.700 0.019 0.000 1.047 244 T CA 1.652 63.754 62.100 0.004 0.000 1.159 244 T CB -0.590 68.276 68.868 -0.003 0.000 0.863 244 T HN 0.334 nan 8.240 nan 0.000 0.422 245 L N 0.623 121.850 121.223 0.006 0.000 2.217 245 L HA 0.076 4.416 4.340 -0.000 0.000 0.211 245 L C 3.032 179.914 176.870 0.019 0.000 1.107 245 L CA 0.662 55.508 54.840 0.010 0.000 0.783 245 L CB -0.662 41.398 42.059 0.002 0.000 0.919 245 L HN 0.260 nan 8.230 nan 0.000 0.442 246 A N 0.435 123.275 122.820 0.034 0.000 1.902 246 A HA -0.170 4.149 4.320 -0.000 0.000 0.217 246 A C 2.199 179.821 177.584 0.063 0.000 1.181 246 A CA 1.486 53.569 52.037 0.076 0.000 0.623 246 A CB -0.632 18.453 19.000 0.141 0.000 0.818 246 A HN 0.374 nan 8.150 nan 0.000 0.443 247 L N -0.928 120.343 121.223 0.079 0.000 2.291 247 L HA -0.069 4.270 4.340 -0.000 0.000 0.214 247 L C 2.409 179.271 176.870 -0.013 0.000 1.120 247 L CA 0.540 55.404 54.840 0.040 0.000 0.799 247 L CB -0.340 41.789 42.059 0.117 0.000 0.925 247 L HN 0.483 nan 8.230 nan 0.000 0.446 248 L N 0.155 121.380 121.223 0.002 0.000 2.056 248 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 248 L C 2.592 179.434 176.870 -0.046 0.000 1.078 248 L CA 1.945 56.779 54.840 -0.009 0.000 0.749 248 L CB -0.634 41.429 42.059 0.008 0.000 0.901 248 L HN 0.107 nan 8.230 nan 0.000 0.433 249 A N -0.720 122.068 122.820 -0.053 0.000 1.877 249 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 249 A C 2.376 179.861 177.584 -0.166 0.000 1.186 249 A CA 2.480 54.472 52.037 -0.076 0.000 0.620 249 A CB -1.443 17.535 19.000 -0.037 0.000 0.822 249 A HN 0.627 nan 8.150 nan 0.000 0.443 250 T N -2.601 111.783 114.554 -0.283 0.000 2.777 250 T HA 0.019 4.369 4.350 -0.000 0.000 0.266 250 T C 1.925 176.414 174.700 -0.351 0.000 1.040 250 T CA 1.592 63.336 62.100 -0.593 0.000 1.141 250 T CB -1.006 67.171 68.868 -1.151 0.000 0.868 250 T HN 0.438 nan 8.240 nan 0.000 0.444 251 G N 1.213 109.887 108.800 -0.210 0.000 2.432 251 G HA2 0.059 4.019 3.960 -0.000 0.000 0.219 251 G HA3 0.059 4.019 3.960 -0.000 0.000 0.219 251 G C 1.875 176.720 174.900 -0.091 0.000 1.135 251 G CA 0.800 45.831 45.100 -0.114 0.000 0.767 251 G HN 0.757 nan 8.290 nan 0.000 0.550 252 A N 0.120 122.882 122.820 -0.097 0.000 1.930 252 A HA 0.125 4.445 4.320 -0.000 0.000 0.217 252 A C 2.583 180.101 177.584 -0.110 0.000 1.175 252 A CA 1.642 53.631 52.037 -0.080 0.000 0.627 252 A CB -0.505 18.454 19.000 -0.068 0.000 0.815 252 A HN 0.235 nan 8.150 nan 0.000 0.443 253 V N 0.060 119.873 119.914 -0.167 0.000 2.343 253 V HA -0.330 3.789 4.120 -0.000 0.000 0.247 253 V C 2.641 178.638 176.094 -0.162 0.000 1.051 253 V CA 2.262 64.410 62.300 -0.254 0.000 1.036 253 V CB -0.744 30.818 31.823 -0.436 0.000 0.654 253 V HN 0.576 nan 8.190 nan 0.000 0.451 254 M N -0.801 118.742 119.600 -0.094 0.000 2.080 254 M HA -0.197 4.282 4.480 -0.000 0.000 0.260 254 M C 2.201 178.480 176.300 -0.035 0.000 1.068 254 M CA 2.103 57.379 55.300 -0.040 0.000 1.109 254 M CB -0.543 32.042 32.600 -0.025 0.000 1.342 254 M HN 0.251 nan 8.290 nan 0.000 0.405 255 I N 0.307 120.853 120.570 -0.040 0.000 2.286 255 I HA -0.304 3.865 4.170 -0.000 0.000 0.248 255 I C 2.086 178.187 176.117 -0.026 0.000 1.115 255 I CA 1.407 62.692 61.300 -0.024 0.000 1.392 255 I CB -0.524 37.464 38.000 -0.021 0.000 1.065 255 I HN 0.416 nan 8.210 nan 0.000 0.418 256 N N 1.140 119.813 118.700 -0.044 0.000 2.459 256 N HA -0.118 4.621 4.740 -0.000 0.000 0.181 256 N C 1.393 176.889 175.510 -0.023 0.000 1.046 256 N CA 0.779 53.807 53.050 -0.037 0.000 0.904 256 N CB 0.088 38.541 38.487 -0.056 0.000 0.964 256 N HN 0.173 nan 8.380 nan 0.000 0.444 257 R N -0.104 120.382 120.500 -0.024 0.000 2.586 257 R HA 0.349 4.689 4.340 -0.000 0.000 0.306 257 R C 0.241 176.544 176.300 0.005 0.000 1.079 257 R CA 0.414 56.514 56.100 -0.001 0.000 1.083 257 R CB 0.305 30.610 30.300 0.008 0.000 1.306 257 R HN 0.210 nan 8.270 nan 0.000 0.567 258 A N 0.723 123.544 122.820 0.003 0.000 2.860 258 A HA -0.258 4.062 4.320 -0.000 0.000 0.267 258 A C 1.648 179.240 177.584 0.012 0.000 1.421 258 A CA 1.096 53.138 52.037 0.008 0.000 0.831 258 A CB -2.252 16.755 19.000 0.012 0.000 1.041 258 A HN 0.584 nan 8.150 nan 0.000 0.623 259 S N -1.107 114.599 115.700 0.010 0.000 2.406 259 S HA 0.394 4.864 4.470 -0.000 0.000 0.228 259 S C 2.194 176.807 174.600 0.021 0.000 1.020 259 S CA 1.392 59.602 58.200 0.017 0.000 0.965 259 S CB -0.450 62.758 63.200 0.013 0.000 0.798 259 S HN 2.731 nan 8.310 nan 0.000 0.488 260 G N 1.660 110.469 108.800 0.015 0.000 2.725 260 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.220 260 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.220 260 G C -0.557 174.356 174.900 0.021 0.000 1.357 260 G CA -0.437 44.674 45.100 0.019 0.000 0.866 260 G HN 0.996 nan 8.290 nan 0.000 0.548 261 Q N -0.033 119.782 119.800 0.025 0.000 2.333 261 Q HA 0.354 4.694 4.340 -0.000 0.000 0.299 261 Q C 0.473 176.499 176.000 0.044 0.000 1.067 261 Q CA 0.917 56.739 55.803 0.031 0.000 0.943 261 Q CB 0.211 28.965 28.738 0.027 0.000 1.233 261 Q HN 1.310 nan 8.270 nan 0.000 0.401 262 N N -0.157 118.574 118.700 0.052 0.000 3.106 262 N HA 0.176 4.916 4.740 -0.000 0.000 0.253 262 N C -1.255 174.314 175.510 0.099 0.000 1.506 262 N CA -0.388 52.703 53.050 0.069 0.000 0.876 262 N CB 0.571 39.080 38.487 0.037 0.000 1.452 262 N HN 0.588 nan 8.380 nan 0.000 0.542 263 D N -2.423 118.054 120.400 0.128 0.000 2.368 263 D HA 0.279 4.919 4.640 -0.000 0.000 0.218 263 D C 1.078 177.460 176.300 0.136 0.000 1.112 263 D CA 0.355 54.469 54.000 0.190 0.000 0.834 263 D CB -0.208 40.776 40.800 0.308 0.000 0.953 263 D HN 1.066 nan 8.370 nan 0.000 0.505 264 G N 0.078 108.901 108.800 0.039 0.000 2.259 264 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 264 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 264 G C 0.733 175.535 174.900 -0.163 0.000 1.001 264 G CA 0.272 45.343 45.100 -0.049 0.000 0.627 264 G HN 0.376 nan 8.290 nan 0.000 0.501 265 L N -0.380 120.743 121.223 -0.165 0.000 3.066 265 L HA 0.405 4.745 4.340 -0.000 0.000 0.272 265 L C 0.014 176.779 176.870 -0.175 0.000 1.101 265 L CA 0.259 54.942 54.840 -0.261 0.000 1.022 265 L CB 1.549 43.293 42.059 -0.526 0.000 1.600 265 L HN 0.084 nan 8.230 nan 0.000 0.559 266 V N 0.391 120.247 119.914 -0.097 0.000 2.531 266 V HA 0.360 4.479 4.120 -0.000 0.000 0.301 266 V C 0.164 176.290 176.094 0.052 0.000 1.034 266 V CA -0.788 61.505 62.300 -0.011 0.000 0.865 266 V CB 1.694 33.539 31.823 0.036 0.000 0.995 266 V HN 0.272 nan 8.190 nan 0.000 0.424 267 S N 4.840 120.570 115.700 0.050 0.000 2.614 267 S HA 0.331 4.801 4.470 -0.000 0.000 0.265 267 S C 1.170 175.826 174.600 0.093 0.000 1.303 267 S CA -0.144 58.094 58.200 0.064 0.000 1.000 267 S CB 1.216 64.446 63.200 0.049 0.000 0.935 267 S HN 0.781 nan 8.310 nan 0.000 0.551 268 R N -0.066 120.488 120.500 0.089 0.000 2.080 268 R HA -0.118 4.221 4.340 -0.000 0.000 0.236 268 R C 2.136 178.502 176.300 0.110 0.000 1.137 268 R CA 2.155 58.317 56.100 0.104 0.000 0.943 268 R CB -1.173 29.172 30.300 0.076 0.000 0.846 268 R HN 0.824 nan 8.270 nan 0.000 0.431 269 c N -0.114 118.539 118.600 0.089 0.000 2.413 269 c HA -0.063 4.507 4.570 -0.000 0.000 0.276 269 c C 3.023 177.183 174.090 0.116 0.000 1.248 269 c CA 1.263 57.647 56.329 0.091 0.000 1.742 269 c CB -0.927 41.625 42.510 0.070 0.000 2.017 269 c HN 0.645 nan 8.230 nan 0.000 0.481 270 S N 1.013 116.781 115.700 0.113 0.000 2.423 270 S HA -0.124 4.346 4.470 -0.000 0.000 0.231 270 S C 2.023 176.742 174.600 0.197 0.000 1.014 270 S CA 1.679 59.960 58.200 0.134 0.000 0.965 270 S CB -0.322 62.932 63.200 0.089 0.000 0.785 270 S HN 0.799 nan 8.310 nan 0.000 0.495 271 S N 0.740 116.559 115.700 0.198 0.000 2.522 271 S HA 0.209 4.678 4.470 -0.000 0.000 0.227 271 S C 0.566 175.372 174.600 0.343 0.000 0.986 271 S CA -0.226 58.131 58.200 0.263 0.000 0.929 271 S CB -0.667 62.664 63.200 0.219 0.000 0.769 271 S HN 0.475 nan 8.310 nan 0.000 0.529 272 L N 2.145 123.528 121.223 0.266 0.000 2.462 272 L HA 0.426 4.765 4.340 -0.000 0.000 0.272 272 L C -0.451 176.569 176.870 0.250 0.000 1.166 272 L CA -0.109 54.869 54.840 0.230 0.000 0.880 272 L CB -0.049 42.100 42.059 0.150 0.000 1.142 272 L HN 0.347 nan 8.230 nan 0.000 0.473 273 F N 2.778 122.744 119.950 0.027 0.000 2.623 273 F HA 0.577 5.104 4.527 -0.000 0.000 0.323 273 F C 0.480 176.282 175.800 0.003 0.000 1.158 273 F CA 0.319 58.264 58.000 -0.093 0.000 1.030 273 F CB 1.161 39.996 39.000 -0.275 0.000 1.280 273 F HN 0.682 nan 8.300 nan 0.000 0.474 274 G N 4.617 113.018 108.800 -0.666 0.000 2.574 274 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.282 274 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.282 274 G C -0.415 174.381 174.900 -0.173 0.000 1.257 274 G CA 0.221 45.011 45.100 -0.518 0.000 0.956 274 G HN 0.998 nan 8.290 nan 0.000 0.560 275 Q N -0.036 119.687 119.800 -0.128 0.000 2.307 275 Q HA 0.436 4.775 4.340 -0.000 0.000 0.261 275 Q C 0.119 176.245 176.000 0.210 0.000 1.051 275 Q CA -0.531 55.290 55.803 0.030 0.000 0.911 275 Q CB 0.509 29.251 28.738 0.007 0.000 1.227 275 Q HN 0.541 nan 8.270 nan 0.000 0.418 276 V N 7.062 127.085 119.914 0.180 0.000 2.405 276 V HA -0.029 4.090 4.120 -0.000 0.000 0.264 276 V C 1.476 177.720 176.094 0.250 0.000 1.048 276 V CA -0.268 62.178 62.300 0.243 0.000 0.966 276 V CB 0.417 32.350 31.823 0.184 0.000 1.015 276 V HN 0.858 nan 8.190 nan 0.000 0.477 277 I N 2.982 123.756 120.570 0.339 0.000 2.163 277 I HA -0.032 4.138 4.170 -0.000 0.000 0.240 277 I C 1.116 177.300 176.117 0.111 0.000 1.081 277 I CA 1.480 62.922 61.300 0.237 0.000 1.353 277 I CB -0.324 37.806 38.000 0.216 0.000 1.054 277 I HN 0.729 nan 8.210 nan 0.000 0.407 278 S N -1.185 114.599 115.700 0.140 0.000 2.565 278 S HA 0.367 4.837 4.470 -0.000 0.000 0.274 278 S C 0.153 174.774 174.600 0.035 0.000 1.144 278 S CA 0.039 58.193 58.200 -0.076 0.000 0.849 278 S CB 1.384 64.280 63.200 -0.507 0.000 1.103 278 S HN 0.318 nan 8.310 nan 0.000 0.455 279 T N -0.703 113.814 114.554 -0.061 0.000 3.170 279 T HA 0.223 4.573 4.350 -0.000 0.000 0.288 279 T C 1.061 175.690 174.700 -0.119 0.000 0.992 279 T CA 0.542 62.662 62.100 0.034 0.000 0.909 279 T CB -0.142 68.780 68.868 0.089 0.000 1.133 279 T HN 0.749 nan 8.240 nan 0.000 0.530 280 S N -0.021 115.473 115.700 -0.344 0.000 2.605 280 S HA 0.268 4.738 4.470 -0.000 0.000 0.217 280 S C -0.012 174.237 174.600 -0.586 0.000 0.958 280 S CA -0.732 57.229 58.200 -0.400 0.000 0.919 280 S CB -0.895 62.107 63.200 -0.330 0.000 0.780 280 S HN 0.456 nan 8.310 nan 0.000 0.507 281 Y N 2.343 122.377 120.300 -0.442 0.000 2.610 281 Y HA 0.151 4.701 4.550 -0.000 0.000 0.332 281 Y C 0.966 176.481 175.900 -0.641 0.000 1.201 281 Y CA -0.090 57.563 58.100 -0.744 0.000 1.465 281 Y CB -0.043 37.670 38.460 -1.245 0.000 1.283 281 Y HN 0.331 nan 8.280 nan 0.000 0.563 282 H N 1.998 120.928 119.070 -0.234 0.000 2.768 282 H HA 0.101 4.656 4.556 -0.000 0.000 0.219 282 H C -0.998 174.453 175.328 0.205 0.000 1.898 282 H CA -0.247 55.798 56.048 -0.005 0.000 1.313 282 H CB -0.401 29.366 29.762 0.010 0.000 1.701 282 H HN 0.382 nan 8.280 nan 0.000 0.534 283 W N 1.252 122.667 121.300 0.193 0.000 2.761 283 W HA 0.214 4.873 4.660 -0.000 0.000 0.340 283 W C 0.069 176.677 176.519 0.148 0.000 1.072 283 W CA -1.383 56.060 57.345 0.164 0.000 1.215 283 W CB 0.801 30.361 29.460 0.166 0.000 1.420 283 W HN 0.342 nan 8.180 nan 0.000 0.519 284 N N -0.571 118.338 118.700 0.348 0.000 2.478 284 N HA 0.111 4.851 4.740 -0.000 0.000 0.275 284 N C 0.791 176.457 175.510 0.260 0.000 1.221 284 N CA -0.192 53.011 53.050 0.254 0.000 0.979 284 N CB 0.347 38.941 38.487 0.179 0.000 1.202 284 N HN 0.440 nan 8.380 nan 0.000 0.564 285 H N -0.486 118.684 119.070 0.166 0.000 2.390 285 H HA 0.021 4.577 4.556 -0.001 0.000 0.298 285 H C 1.217 176.642 175.328 0.162 0.000 1.106 285 H CA 1.940 58.108 56.048 0.200 0.000 1.297 285 H CB 0.022 29.898 29.762 0.190 0.000 1.375 285 H HN 0.525 nan 8.280 nan 0.000 0.509 286 L N -0.563 120.711 121.223 0.085 0.000 2.375 286 L HA -0.045 4.294 4.340 -0.000 0.000 0.215 286 L C 1.641 178.354 176.870 -0.261 0.000 1.108 286 L CA 0.480 55.247 54.840 -0.122 0.000 0.830 286 L CB -0.109 41.887 42.059 -0.105 0.000 0.959 286 L HN 0.239 nan 8.230 nan 0.000 0.457 287 D N 0.796 121.064 120.400 -0.220 0.000 2.178 287 D HA -0.187 4.452 4.640 -0.000 0.000 0.201 287 D C 1.856 177.700 176.300 -0.761 0.000 0.980 287 D CA 1.069 54.822 54.000 -0.410 0.000 0.842 287 D CB 0.035 40.624 40.800 -0.352 0.000 0.948 287 D HN 0.399 nan 8.370 nan 0.000 0.472 288 E N 0.195 120.006 120.200 -0.648 0.000 2.267 288 E HA -0.132 4.217 4.350 -0.000 0.000 0.197 288 E C 1.606 177.834 176.600 -0.620 0.000 0.998 288 E CA 0.642 56.618 56.400 -0.707 0.000 0.830 288 E CB -0.063 29.483 29.700 -0.257 0.000 0.751 288 E HN 0.514 nan 8.360 nan 0.000 0.491 289 I N -2.878 117.306 120.570 -0.642 0.000 3.762 289 I HA 0.338 4.508 4.170 -0.000 0.000 0.333 289 I C 0.009 175.938 176.117 -0.312 0.000 1.566 289 I CA -0.562 60.407 61.300 -0.550 0.000 1.129 289 I CB 0.279 37.675 38.000 -1.007 0.000 1.218 289 I HN -0.149 nan 8.210 nan 0.000 0.456 290 N N 2.158 120.680 118.700 -0.296 0.000 2.754 290 N HA -0.183 4.557 4.740 -0.000 0.000 0.248 290 N C -0.559 174.880 175.510 -0.118 0.000 1.093 290 N CA 0.931 53.900 53.050 -0.135 0.000 0.699 290 N CB -0.474 38.033 38.487 0.034 0.000 1.016 290 N HN 0.642 nan 8.380 nan 0.000 0.552 291 Q N -0.180 119.488 119.800 -0.220 0.000 2.359 291 Q HA 0.484 4.823 4.340 -0.000 0.000 0.275 291 Q C 0.130 175.993 176.000 -0.228 0.000 1.082 291 Q CA -0.778 54.882 55.803 -0.238 0.000 0.849 291 Q CB 1.324 29.944 28.738 -0.195 0.000 1.377 291 Q HN 0.303 nan 8.270 nan 0.000 0.452 292 L N 1.920 122.991 121.223 -0.253 0.000 2.331 292 L HA 0.243 4.583 4.340 -0.000 0.000 0.278 292 L C 0.686 177.317 176.870 -0.399 0.000 1.106 292 L CA -0.197 54.454 54.840 -0.315 0.000 0.824 292 L CB 0.210 42.078 42.059 -0.318 0.000 1.142 292 L HN 0.596 nan 8.230 nan 0.000 0.443 293 L N 4.250 125.057 121.223 -0.694 0.000 3.678 293 L HA -0.292 4.048 4.340 -0.000 0.000 0.425 293 L C 1.123 177.639 176.870 -0.590 0.000 1.240 293 L CA 0.519 54.721 54.840 -1.064 0.000 0.876 293 L CB -2.300 39.435 42.059 -0.540 0.000 1.766 293 L HN 1.161 nan 8.230 nan 0.000 0.917 294 G N -1.769 106.816 108.800 -0.358 0.000 2.184 294 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.264 294 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.264 294 G C 0.215 175.084 174.900 -0.053 0.000 0.975 294 G CA 0.121 45.214 45.100 -0.011 0.000 0.642 294 G HN 0.357 nan 8.290 nan 0.000 0.536 295 V N 2.199 122.045 119.914 -0.112 0.000 2.488 295 V HA 0.655 4.775 4.120 -0.000 0.000 0.277 295 V C 0.764 176.825 176.094 -0.056 0.000 1.046 295 V CA 0.463 62.718 62.300 -0.074 0.000 0.986 295 V CB 1.003 32.771 31.823 -0.091 0.000 0.989 295 V HN 0.778 nan 8.190 nan 0.000 0.475 296 R N 3.210 123.704 120.500 -0.009 0.000 2.707 296 R HA 0.723 5.063 4.340 -0.000 0.000 0.272 296 R C 0.031 176.365 176.300 0.057 0.000 1.011 296 R CA -0.699 55.418 56.100 0.030 0.000 0.893 296 R CB 1.562 31.897 30.300 0.059 0.000 1.233 296 R HN 0.707 nan 8.270 nan 0.000 0.464 297 G N 0.006 108.856 108.800 0.083 0.000 2.664 297 G HA2 0.291 4.251 3.960 -0.000 0.000 0.242 297 G HA3 0.291 4.251 3.960 -0.000 0.000 0.242 297 G C 0.954 175.898 174.900 0.073 0.000 1.225 297 G CA -0.165 44.978 45.100 0.073 0.000 0.849 297 G HN 0.793 nan 8.290 nan 0.000 0.581 298 A N 0.811 123.657 122.820 0.043 0.000 2.024 298 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 298 A C 2.021 179.617 177.584 0.021 0.000 1.164 298 A CA 1.597 53.651 52.037 0.029 0.000 0.643 298 A CB -0.186 18.820 19.000 0.011 0.000 0.806 298 A HN 0.561 nan 8.150 nan 0.000 0.451 299 N N -0.136 118.570 118.700 0.010 0.000 2.336 299 N HA 0.213 4.953 4.740 -0.000 0.000 0.189 299 N C 0.368 175.892 175.510 0.023 0.000 1.113 299 N CA 0.731 53.742 53.050 -0.064 0.000 0.858 299 N CB -0.065 38.308 38.487 -0.190 0.000 0.970 299 N HN 0.427 nan 8.380 nan 0.000 0.471 300 A N 1.023 123.940 122.820 0.162 0.000 2.409 300 A HA 0.296 4.616 4.320 -0.000 0.000 0.262 300 A C 0.256 178.045 177.584 0.342 0.000 1.113 300 A CA -0.349 51.892 52.037 0.340 0.000 0.790 300 A CB 0.466 19.742 19.000 0.459 0.000 1.046 300 A HN 0.073 nan 8.150 nan 0.000 0.496 301 E N 0.874 121.291 120.200 0.361 0.000 2.392 301 E HA 0.189 4.539 4.350 -0.000 0.000 0.256 301 E C -0.228 176.690 176.600 0.531 0.000 1.145 301 E CA -0.159 56.436 56.400 0.324 0.000 0.929 301 E CB 0.481 30.257 29.700 0.126 0.000 0.998 301 E HN 0.594 nan 8.360 nan 0.000 0.442 302 D N 1.812 122.410 120.400 0.330 0.000 2.344 302 D HA 0.029 4.669 4.640 -0.000 0.000 0.253 302 D C -1.680 174.796 176.300 0.292 0.000 1.255 302 D CA -2.021 52.130 54.000 0.253 0.000 0.894 302 D CB 0.835 41.725 40.800 0.150 0.000 1.067 302 D HN 0.106 nan 8.370 nan 0.000 0.492 303 P HA -0.115 nan 4.420 nan 0.000 0.221 303 P C 1.549 178.878 177.300 0.049 0.000 1.150 303 P CA 0.302 63.381 63.100 -0.034 0.000 0.800 303 P CB 0.441 31.829 31.700 -0.520 0.000 0.787 304 V N 1.057 121.008 119.914 0.061 0.000 2.343 304 V HA -0.208 3.911 4.120 -0.000 0.000 0.247 304 V C 2.854 179.006 176.094 0.097 0.000 1.051 304 V CA 2.229 64.580 62.300 0.084 0.000 1.036 304 V CB -1.759 30.108 31.823 0.072 0.000 0.654 304 V HN 0.105 nan 8.190 nan 0.000 0.451 305 A N -0.208 122.666 122.820 0.090 0.000 1.898 305 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 305 A C 2.402 180.031 177.584 0.075 0.000 1.181 305 A CA 1.924 54.005 52.037 0.073 0.000 0.620 305 A CB -0.653 18.386 19.000 0.065 0.000 0.819 305 A HN 0.322 nan 8.150 nan 0.000 0.442 306 V N 0.277 120.236 119.914 0.074 0.000 2.295 306 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 306 V C 2.428 178.520 176.094 -0.004 0.000 1.049 306 V CA 2.175 64.460 62.300 -0.025 0.000 1.024 306 V CB -0.674 31.090 31.823 -0.097 0.000 0.648 306 V HN 0.583 nan 8.190 nan 0.000 0.447 307 I N -0.595 120.061 120.570 0.144 0.000 2.252 307 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 307 I C 2.738 178.985 176.117 0.217 0.000 1.102 307 I CA 1.554 63.023 61.300 0.282 0.000 1.385 307 I CB -0.462 37.726 38.000 0.314 0.000 1.064 307 I HN 0.203 nan 8.210 nan 0.000 0.414 308 R N 0.630 121.224 120.500 0.157 0.000 2.083 308 R HA -0.174 4.166 4.340 -0.000 0.000 0.237 308 R C 2.272 178.666 176.300 0.157 0.000 1.137 308 R CA 2.191 58.382 56.100 0.151 0.000 0.951 308 R CB -0.341 30.035 30.300 0.127 0.000 0.851 308 R HN 0.269 nan 8.270 nan 0.000 0.434 309 T N -0.553 114.092 114.554 0.153 0.000 2.788 309 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 309 T C 1.476 176.187 174.700 0.018 0.000 1.044 309 T CA 1.780 63.952 62.100 0.120 0.000 1.139 309 T CB -0.400 68.522 68.868 0.090 0.000 0.867 309 T HN 0.492 nan 8.240 nan 0.000 0.454 310 H N 0.631 119.673 119.070 -0.047 0.000 2.389 310 H HA 0.047 4.603 4.556 -0.001 0.000 0.299 310 H C 1.958 177.251 175.328 -0.058 0.000 1.081 310 H CA 1.017 57.031 56.048 -0.057 0.000 1.345 310 H CB -0.359 29.446 29.762 0.072 0.000 1.393 310 H HN 0.132 nan 8.280 nan 0.000 0.520 311 V N 1.104 120.980 119.914 -0.063 0.000 2.515 311 V HA -0.244 3.875 4.120 -0.000 0.000 0.250 311 V C 2.457 178.396 176.094 -0.259 0.000 1.058 311 V CA 1.873 64.088 62.300 -0.142 0.000 1.064 311 V CB -0.631 31.178 31.823 -0.023 0.000 0.675 311 V HN 0.650 nan 8.190 nan 0.000 0.461 312 N N 0.921 119.404 118.700 -0.362 0.000 2.120 312 N HA -0.242 4.498 4.740 -0.000 0.000 0.188 312 N C 2.157 177.459 175.510 -0.347 0.000 1.024 312 N CA 1.691 54.412 53.050 -0.548 0.000 0.852 312 N CB -0.090 37.752 38.487 -1.076 0.000 1.003 312 N HN 0.471 nan 8.380 nan 0.000 0.424 313 R N 0.821 121.141 120.500 -0.300 0.000 2.096 313 R HA -0.111 4.229 4.340 -0.000 0.000 0.240 313 R C 2.478 178.630 176.300 -0.247 0.000 1.139 313 R CA 1.260 57.210 56.100 -0.249 0.000 0.952 313 R CB -0.317 29.822 30.300 -0.269 0.000 0.854 313 R HN 0.262 nan 8.270 nan 0.000 0.436 314 L N 0.931 121.946 121.223 -0.347 0.000 2.012 314 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 314 L C 2.858 179.668 176.870 -0.101 0.000 1.073 314 L CA 1.855 56.579 54.840 -0.193 0.000 0.748 314 L CB -0.622 41.327 42.059 -0.184 0.000 0.891 314 L HN 0.303 nan 8.230 nan 0.000 0.431 315 K N 0.823 121.140 120.400 -0.140 0.000 2.032 315 K HA -0.205 4.115 4.320 -0.000 0.000 0.209 315 K C 2.112 178.659 176.600 -0.089 0.000 1.048 315 K CA 1.519 57.737 56.287 -0.116 0.000 0.927 315 K CB -0.154 32.251 32.500 -0.158 0.000 0.712 315 K HN 0.275 nan 8.250 nan 0.000 0.441 316 L N 0.754 121.918 121.223 -0.098 0.000 2.201 316 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 316 L C 2.136 178.994 176.870 -0.020 0.000 1.105 316 L CA 0.772 55.577 54.840 -0.059 0.000 0.775 316 L CB -0.310 41.711 42.059 -0.064 0.000 0.913 316 L HN 0.277 nan 8.230 nan 0.000 0.440 317 Q N -0.097 119.701 119.800 -0.003 0.000 2.444 317 Q HA 0.086 4.425 4.340 -0.000 0.000 0.206 317 Q C 1.529 177.554 176.000 0.041 0.000 0.948 317 Q CA 0.845 56.675 55.803 0.045 0.000 0.946 317 Q CB 0.357 29.159 28.738 0.107 0.000 1.027 317 Q HN 0.559 nan 8.270 nan 0.000 0.513 318 G N 0.435 109.242 108.800 0.011 0.000 2.141 318 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.231 318 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.231 318 G C 0.308 175.212 174.900 0.006 0.000 0.984 318 G CA 0.322 45.422 45.100 -0.000 0.000 0.660 318 G HN 0.349 nan 8.290 nan 0.000 0.525 319 V N 0.000 119.938 119.914 0.041 0.000 2.409 319 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 319 V CA 0.000 62.379 62.300 0.131 0.000 1.235 319 V CB 0.000 31.999 31.823 0.294 0.000 1.184 319 V HN 0.000 nan 8.190 nan 0.000 0.556