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 1w2v_1_B DATA FIRST_RESID 1 DATA SEQUENCE GLASLADFPI GVAVAASGGN ADIFTSSARQ NIVRAEFNQI TAENIMKMSY DATA SEQUENCE MYSGSNFSFT NSDRLVSWAA QNGQTVHGHT LVWHPSYQLP NWASDSNANF DATA SEQUENCE RQDFARHIDT VAAHFAGQVK SWDVVNEALF DSADDPDGRG SANGYRQSVF DATA SEQUENCE YRQFGGPEYI DEAFRRARAA DPTAELYYND FNTEENGAKT TALVNLVQRL DATA SEQUENCE LNNGVPIDGV GFQMHVMNDY PSIANIRQAM QKIVALSPTL KIKITELDVR DATA SEQUENCE LNNPYDGNSS NEYTNRNDCA VSCAGLDRQK ARYKEIVQAY LEVVPPGRRG DATA SEQUENCE GITVWGIADP DSWLYTHQNL PDWPLLFNDN LQPKPAYQGV VEALSG 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.844 174.900 -0.094 0.000 0.946 1 G CA 0.000 45.087 45.100 -0.021 0.000 0.502 2 L N 0.516 121.634 121.223 -0.175 0.000 2.046 2 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 2 L C 3.336 180.083 176.870 -0.206 0.000 1.077 2 L CA 2.011 56.704 54.840 -0.244 0.000 0.747 2 L CB -0.603 41.243 42.059 -0.355 0.000 0.896 2 L HN 0.695 nan 8.230 nan 0.000 0.432 3 A N 0.316 123.020 122.820 -0.194 0.000 1.978 3 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 3 A C 2.528 180.027 177.584 -0.142 0.000 1.170 3 A CA 2.024 53.974 52.037 -0.144 0.000 0.636 3 A CB -0.732 18.218 19.000 -0.083 0.000 0.810 3 A HN 0.551 nan 8.150 nan 0.000 0.448 4 S N -0.238 115.392 115.700 -0.117 0.000 2.440 4 S HA -0.065 4.405 4.470 -0.000 0.000 0.238 4 S C 1.558 176.094 174.600 -0.107 0.000 1.010 4 S CA 1.465 59.609 58.200 -0.093 0.000 0.972 4 S CB -0.559 62.600 63.200 -0.067 0.000 0.774 4 S HN 0.490 nan 8.310 nan 0.000 0.501 5 L N 0.628 121.768 121.223 -0.137 0.000 2.567 5 L HA 0.472 4.812 4.340 -0.000 0.000 0.225 5 L C 0.985 177.746 176.870 -0.181 0.000 1.119 5 L CA 0.135 54.895 54.840 -0.133 0.000 0.871 5 L CB -0.281 41.701 42.059 -0.128 0.000 1.036 5 L HN 0.439 nan 8.230 nan 0.000 0.459 6 A N -0.983 121.670 122.820 -0.280 0.000 2.469 6 A HA 0.499 4.819 4.320 -0.000 0.000 0.299 6 A C -0.605 176.757 177.584 -0.369 0.000 1.098 6 A CA -0.538 51.211 52.037 -0.481 0.000 0.737 6 A CB 1.135 19.492 19.000 -1.071 0.000 1.312 6 A HN -0.010 nan 8.150 nan 0.000 0.414 7 D N 0.437 120.667 120.400 -0.284 0.000 2.388 7 D HA 0.300 4.940 4.640 -0.000 0.000 0.221 7 D C -0.642 175.701 176.300 0.071 0.000 1.133 7 D CA 0.800 54.766 54.000 -0.055 0.000 0.831 7 D CB -0.183 40.655 40.800 0.063 0.000 0.962 7 D HN 0.413 nan 8.370 nan 0.000 0.502 8 F N -1.810 118.178 119.950 0.062 0.000 2.643 8 F HA 0.656 5.183 4.527 -0.000 0.000 0.314 8 F C -2.963 172.876 175.800 0.064 0.000 1.096 8 F CA -3.255 54.793 58.000 0.079 0.000 0.953 8 F CB 0.191 39.266 39.000 0.123 0.000 1.345 8 F HN -0.396 nan 8.300 nan 0.000 0.468 9 P HA 0.151 nan 4.420 nan 0.000 0.265 9 P C -0.706 176.697 177.300 0.172 0.000 1.193 9 P CA 0.163 63.357 63.100 0.157 0.000 0.765 9 P CB 0.427 32.209 31.700 0.137 0.000 0.823 10 I N 3.221 123.852 120.570 0.100 0.000 2.382 10 I HA 0.435 4.605 4.170 -0.000 0.000 0.285 10 I C 0.816 177.115 176.117 0.303 0.000 1.007 10 I CA -0.027 61.370 61.300 0.161 0.000 1.142 10 I CB 0.969 38.999 38.000 0.051 0.000 1.289 10 I HN 0.389 nan 8.210 nan 0.000 0.453 11 G N 4.506 113.445 108.800 0.232 0.000 2.685 11 G HA2 0.714 4.674 3.960 -0.000 0.000 0.298 11 G HA3 0.714 4.674 3.960 -0.000 0.000 0.298 11 G C -1.540 173.199 174.900 -0.268 0.000 1.277 11 G CA -0.651 44.481 45.100 0.055 0.000 0.986 11 G HN 0.337 nan 8.290 nan 0.000 0.487 12 V N -0.662 118.946 119.914 -0.510 0.000 2.932 12 V HA 0.731 4.851 4.120 -0.000 0.000 0.307 12 V C -0.219 175.575 176.094 -0.499 0.000 1.147 12 V CA -0.432 61.446 62.300 -0.703 0.000 0.951 12 V CB 1.781 32.783 31.823 -1.368 0.000 1.031 12 V HN 1.464 nan 8.190 nan 0.000 0.426 13 A N 5.267 127.754 122.820 -0.554 0.000 2.409 13 A HA 0.686 5.006 4.320 -0.000 0.000 0.262 13 A C -0.226 176.982 177.584 -0.626 0.000 1.113 13 A CA 0.247 51.821 52.037 -0.772 0.000 0.790 13 A CB 0.609 18.646 19.000 -1.605 0.000 1.046 13 A HN 1.865 nan 8.150 nan 0.000 0.496 14 V N 0.223 119.821 119.914 -0.527 0.000 2.628 14 V HA 0.888 5.008 4.120 -0.000 0.000 0.306 14 V C 0.231 176.072 176.094 -0.422 0.000 1.045 14 V CA -0.472 61.552 62.300 -0.461 0.000 0.905 14 V CB 1.140 32.685 31.823 -0.464 0.000 0.997 14 V HN 1.459 nan 8.190 nan 0.000 0.436 15 A N 3.249 125.840 122.820 -0.381 0.000 2.310 15 A HA 0.894 5.214 4.320 -0.000 0.000 0.299 15 A C 0.559 177.954 177.584 -0.315 0.000 1.147 15 A CA -0.115 51.744 52.037 -0.297 0.000 0.818 15 A CB 1.282 20.142 19.000 -0.234 0.000 1.096 15 A HN 2.370 nan 8.150 nan 0.000 0.495 16 A N 1.480 124.178 122.820 -0.204 0.000 2.843 16 A HA 0.562 4.882 4.320 -0.000 0.000 0.248 16 A C 0.272 177.860 177.584 0.006 0.000 0.904 16 A CA 0.100 52.070 52.037 -0.113 0.000 1.091 16 A CB -0.115 18.848 19.000 -0.061 0.000 1.208 16 A HN 0.829 nan 8.150 nan 0.000 0.476 17 S N -0.128 115.562 115.700 -0.018 0.000 3.082 17 S HA 0.516 4.986 4.470 -0.000 0.000 0.253 17 S C 0.652 175.263 174.600 0.018 0.000 0.961 17 S CA 0.279 58.493 58.200 0.023 0.000 1.129 17 S CB 0.317 63.531 63.200 0.023 0.000 1.083 17 S HN 2.104 nan 8.310 nan 0.000 0.605 18 G N 0.925 109.731 108.800 0.010 0.000 2.782 18 G HA2 0.362 4.322 3.960 -0.000 0.000 0.228 18 G HA3 0.362 4.322 3.960 -0.000 0.000 0.228 18 G C 0.253 175.141 174.900 -0.019 0.000 1.372 18 G CA -0.491 44.611 45.100 0.004 0.000 0.862 18 G HN 1.574 nan 8.290 nan 0.000 0.547 19 G N -1.255 107.535 108.800 -0.017 0.000 2.782 19 G HA2 0.024 3.984 3.960 -0.000 0.000 0.228 19 G HA3 0.024 3.984 3.960 -0.000 0.000 0.228 19 G C 0.661 175.533 174.900 -0.046 0.000 1.372 19 G CA 0.663 45.746 45.100 -0.028 0.000 0.862 19 G HN 1.710 nan 8.290 nan 0.000 0.547 20 N N 0.041 118.708 118.700 -0.055 0.000 2.381 20 N HA 0.045 4.785 4.740 -0.000 0.000 0.182 20 N C 2.320 177.774 175.510 -0.093 0.000 1.025 20 N CA 1.766 54.776 53.050 -0.066 0.000 0.888 20 N CB -0.284 38.162 38.487 -0.068 0.000 0.965 20 N HN 1.066 nan 8.380 nan 0.000 0.438 21 A N 0.060 122.813 122.820 -0.112 0.000 2.238 21 A HA 0.026 4.346 4.320 -0.000 0.000 0.210 21 A C 0.386 177.857 177.584 -0.189 0.000 1.179 21 A CA -0.287 51.660 52.037 -0.149 0.000 0.827 21 A CB -0.262 18.644 19.000 -0.158 0.000 0.856 21 A HN 0.190 nan 8.150 nan 0.000 0.488 22 D N -0.357 119.946 120.400 -0.161 0.000 2.487 22 D HA 0.073 4.713 4.640 -0.000 0.000 0.243 22 D C 1.021 177.147 176.300 -0.290 0.000 1.154 22 D CA 0.013 53.892 54.000 -0.202 0.000 0.876 22 D CB 0.338 41.084 40.800 -0.090 0.000 1.161 22 D HN 0.150 nan 8.370 nan 0.000 0.478 23 I N 4.286 124.535 120.570 -0.536 0.000 2.394 23 I HA -0.103 4.067 4.170 -0.000 0.000 0.251 23 I C 1.035 176.803 176.117 -0.582 0.000 1.136 23 I CA 1.207 62.104 61.300 -0.671 0.000 1.425 23 I CB -0.201 37.159 38.000 -1.065 0.000 1.079 23 I HN 0.508 nan 8.210 nan 0.000 0.425 24 F N 0.087 119.852 119.950 -0.309 0.000 2.367 24 F HA -0.056 4.471 4.527 -0.000 0.000 0.298 24 F C 2.573 178.324 175.800 -0.081 0.000 1.094 24 F CA 1.370 59.253 58.000 -0.195 0.000 1.409 24 F CB -1.453 37.452 39.000 -0.158 0.000 1.064 24 F HN 0.212 nan 8.300 nan 0.000 0.528 25 T N -4.737 109.850 114.554 0.054 0.000 3.037 25 T HA 0.091 4.441 4.350 -0.000 0.000 0.252 25 T C 1.014 175.714 174.700 0.000 0.000 1.073 25 T CA 0.278 62.401 62.100 0.038 0.000 1.091 25 T CB -0.265 68.618 68.868 0.025 0.000 0.935 25 T HN 0.034 nan 8.240 nan 0.000 0.488 26 S N 1.347 117.021 115.700 -0.044 0.000 2.404 26 S HA 0.438 4.908 4.470 -0.000 0.000 0.309 26 S C 1.311 175.891 174.600 -0.033 0.000 1.076 26 S CA -0.327 57.843 58.200 -0.050 0.000 1.095 26 S CB 0.811 63.958 63.200 -0.089 0.000 0.972 26 S HN 0.377 nan 8.310 nan 0.000 0.484 27 S N 4.736 120.429 115.700 -0.010 0.000 2.368 27 S HA -0.106 4.364 4.470 -0.000 0.000 0.225 27 S C 2.111 176.702 174.600 -0.015 0.000 1.030 27 S CA 1.593 59.795 58.200 0.005 0.000 0.999 27 S CB -0.532 62.672 63.200 0.006 0.000 0.844 27 S HN 0.930 nan 8.310 nan 0.000 0.459 28 A N 1.494 124.292 122.820 -0.037 0.000 1.902 28 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 28 A C 2.263 179.789 177.584 -0.096 0.000 1.181 28 A CA 1.371 53.373 52.037 -0.060 0.000 0.623 28 A CB -0.546 18.417 19.000 -0.061 0.000 0.818 28 A HN 0.610 nan 8.150 nan 0.000 0.443 29 R N -0.760 119.678 120.500 -0.103 0.000 2.073 29 R HA -0.100 4.240 4.340 -0.000 0.000 0.229 29 R C 2.472 178.725 176.300 -0.079 0.000 1.120 29 R CA 1.459 57.477 56.100 -0.136 0.000 0.967 29 R CB -0.328 29.875 30.300 -0.161 0.000 0.862 29 R HN 0.676 nan 8.270 nan 0.000 0.436 30 Q N 0.311 120.099 119.800 -0.019 0.000 2.096 30 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 30 Q C 1.728 177.776 176.000 0.079 0.000 0.982 30 Q CA 1.414 57.279 55.803 0.102 0.000 0.850 30 Q CB -0.107 28.730 28.738 0.165 0.000 0.901 30 Q HN 0.299 nan 8.270 nan 0.000 0.422 31 N N 0.503 119.213 118.700 0.017 0.000 2.142 31 N HA -0.089 4.651 4.740 -0.000 0.000 0.186 31 N C 1.735 177.228 175.510 -0.028 0.000 1.023 31 N CA 0.988 54.036 53.050 -0.003 0.000 0.852 31 N CB -0.143 38.331 38.487 -0.021 0.000 0.998 31 N HN 0.235 nan 8.380 nan 0.000 0.424 32 I N 0.263 120.778 120.570 -0.091 0.000 2.226 32 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 32 I C 1.995 178.117 176.117 0.007 0.000 1.100 32 I CA 0.681 61.886 61.300 -0.159 0.000 1.374 32 I CB -0.135 37.577 38.000 -0.479 0.000 1.057 32 I HN -0.084 nan 8.210 nan 0.000 0.413 33 V N 0.861 120.841 119.914 0.109 0.000 2.237 33 V HA -0.304 3.816 4.120 -0.000 0.000 0.245 33 V C 2.623 178.841 176.094 0.208 0.000 1.046 33 V CA 2.129 64.610 62.300 0.302 0.000 1.007 33 V CB -0.803 31.160 31.823 0.234 0.000 0.638 33 V HN 0.440 nan 8.190 nan 0.000 0.445 34 R N 0.311 120.886 120.500 0.123 0.000 2.096 34 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 34 R C 2.178 178.492 176.300 0.023 0.000 1.127 34 R CA 1.700 57.834 56.100 0.056 0.000 0.968 34 R CB -0.383 29.927 30.300 0.016 0.000 0.861 34 R HN 0.495 nan 8.270 nan 0.000 0.440 35 A N 0.639 123.466 122.820 0.012 0.000 1.929 35 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 35 A C 1.654 179.205 177.584 -0.055 0.000 1.176 35 A CA 1.218 53.244 52.037 -0.018 0.000 0.628 35 A CB -0.026 18.963 19.000 -0.018 0.000 0.816 35 A HN 0.359 nan 8.150 nan 0.000 0.444 36 E N -1.983 118.149 120.200 -0.113 0.000 2.399 36 E HA 0.237 4.587 4.350 -0.000 0.000 0.205 36 E C -0.660 175.597 176.600 -0.571 0.000 0.906 36 E CA 0.128 56.309 56.400 -0.366 0.000 0.998 36 E CB 0.262 29.626 29.700 -0.561 0.000 1.002 36 E HN 0.526 nan 8.360 nan 0.000 0.501 37 F N 1.690 121.659 119.950 0.032 0.000 2.556 37 F HA 0.273 4.800 4.527 0.000 0.000 0.327 37 F C 1.050 176.850 175.800 0.000 0.000 1.059 37 F CA -0.998 57.011 58.000 0.015 0.000 0.953 37 F CB 0.953 39.965 39.000 0.019 0.000 1.227 37 F HN -0.174 nan 8.300 nan 0.000 0.478 38 N N 0.038 118.853 118.700 0.191 0.000 2.240 38 N HA 0.143 4.883 4.740 -0.000 0.000 0.240 38 N C -0.855 174.707 175.510 0.086 0.000 1.277 38 N CA -0.243 52.865 53.050 0.097 0.000 0.873 38 N CB 0.670 39.181 38.487 0.039 0.000 1.222 38 N HN 0.751 nan 8.380 nan 0.000 0.507 39 Q N 0.517 120.381 119.800 0.108 0.000 2.377 39 Q HA 0.562 4.902 4.340 -0.000 0.000 0.279 39 Q C -1.671 174.335 176.000 0.010 0.000 1.049 39 Q CA -0.973 54.862 55.803 0.052 0.000 0.825 39 Q CB 2.280 31.042 28.738 0.040 0.000 1.401 39 Q HN 0.350 nan 8.270 nan 0.000 0.404 40 I N -1.280 119.281 120.570 -0.016 0.000 2.740 40 I HA 0.723 4.893 4.170 -0.000 0.000 0.303 40 I C -0.868 175.193 176.117 -0.093 0.000 1.044 40 I CA -0.650 60.597 61.300 -0.089 0.000 1.064 40 I CB 2.590 40.554 38.000 -0.060 0.000 1.249 40 I HN 0.383 nan 8.210 nan 0.000 0.433 41 T N 3.485 117.947 114.554 -0.153 0.000 2.855 41 T HA 0.674 5.024 4.350 -0.000 0.000 0.281 41 T C -0.001 174.570 174.700 -0.216 0.000 1.007 41 T CA -0.492 61.539 62.100 -0.116 0.000 1.009 41 T CB 1.632 70.486 68.868 -0.025 0.000 0.983 41 T HN 0.843 nan 8.240 nan 0.000 0.455 42 A N 1.714 124.447 122.820 -0.146 0.000 2.454 42 A HA 0.260 4.580 4.320 -0.000 0.000 0.260 42 A C 1.360 178.842 177.584 -0.170 0.000 1.106 42 A CA -0.365 51.571 52.037 -0.168 0.000 0.780 42 A CB -0.006 18.933 19.000 -0.102 0.000 1.044 42 A HN 1.063 nan 8.150 nan 0.000 0.498 43 E N 1.927 121.942 120.200 -0.308 0.000 2.110 43 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 43 E C 0.807 177.427 176.600 0.034 0.000 0.988 43 E CA 1.668 57.894 56.400 -0.291 0.000 0.804 43 E CB 0.097 29.554 29.700 -0.405 0.000 0.745 43 E HN 0.802 nan 8.360 nan 0.000 0.458 44 N N -0.723 117.942 118.700 -0.058 0.000 2.297 44 N HA 0.029 4.769 4.740 -0.000 0.000 0.247 44 N C 1.626 176.888 175.510 -0.414 0.000 1.138 44 N CA 0.468 53.459 53.050 -0.098 0.000 0.813 44 N CB 0.389 38.814 38.487 -0.103 0.000 1.496 44 N HN 0.205 nan 8.380 nan 0.000 0.480 45 I N -1.458 118.877 120.570 -0.391 0.000 3.564 45 I HA 0.223 4.393 4.170 -0.000 0.000 0.294 45 I C 1.142 177.156 176.117 -0.172 0.000 1.289 45 I CA 0.637 61.612 61.300 -0.542 0.000 1.325 45 I CB -0.162 37.722 38.000 -0.194 0.000 1.039 45 I HN -0.115 nan 8.210 nan 0.000 0.474 46 M N 0.641 120.211 119.600 -0.051 0.000 2.404 46 M HA 0.280 4.760 4.480 -0.000 0.000 0.271 46 M C 0.333 176.745 176.300 0.186 0.000 1.128 46 M CA -0.050 55.325 55.300 0.126 0.000 0.982 46 M CB 0.240 32.888 32.600 0.081 0.000 1.445 46 M HN 0.085 nan 8.290 nan 0.000 0.495 47 K N 0.467 120.936 120.400 0.116 0.000 2.286 47 K HA 0.141 4.461 4.320 -0.000 0.000 0.256 47 K C 1.035 177.879 176.600 0.407 0.000 0.999 47 K CA 0.057 56.495 56.287 0.252 0.000 0.908 47 K CB 0.769 33.457 32.500 0.312 0.000 0.981 47 K HN 0.157 nan 8.250 nan 0.000 0.500 48 M N 0.680 120.479 119.600 0.331 0.000 2.084 48 M HA -0.231 4.249 4.480 -0.000 0.000 0.259 48 M C 2.267 178.799 176.300 0.386 0.000 1.072 48 M CA 2.276 57.767 55.300 0.319 0.000 1.107 48 M CB -0.557 32.074 32.600 0.051 0.000 1.299 48 M HN 0.775 nan 8.290 nan 0.000 0.413 49 S N -0.446 115.380 115.700 0.210 0.000 2.440 49 S HA -0.166 4.304 4.470 -0.000 0.000 0.238 49 S C 1.586 176.276 174.600 0.150 0.000 1.010 49 S CA 1.026 59.300 58.200 0.123 0.000 0.972 49 S CB -1.040 62.091 63.200 -0.116 0.000 0.774 49 S HN 0.459 nan 8.310 nan 0.000 0.501 50 Y N 1.127 121.539 120.300 0.187 0.000 2.574 50 Y HA 0.192 4.742 4.550 0.000 0.000 0.294 50 Y C 2.133 178.100 175.900 0.112 0.000 1.142 50 Y CA 0.525 58.718 58.100 0.155 0.000 1.314 50 Y CB -0.363 38.197 38.460 0.168 0.000 0.991 50 Y HN 0.266 nan 8.280 nan 0.000 0.555 51 M N -1.044 118.696 119.600 0.233 0.000 2.618 51 M HA 0.050 4.530 4.480 -0.000 0.000 0.240 51 M C -0.994 174.964 176.300 -0.570 0.000 1.123 51 M CA 0.514 55.735 55.300 -0.132 0.000 1.060 51 M CB -1.094 31.497 32.600 -0.015 0.000 1.535 51 M HN 0.071 nan 8.290 nan 0.000 0.507 52 Y N -1.308 118.942 120.300 -0.083 0.000 2.499 52 Y HA 0.432 4.982 4.550 0.000 0.000 0.347 52 Y C 0.173 175.997 175.900 -0.127 0.000 0.987 52 Y CA -0.938 57.060 58.100 -0.169 0.000 1.044 52 Y CB 1.818 40.174 38.460 -0.174 0.000 1.245 52 Y HN -0.170 nan 8.280 nan 0.000 0.461 53 S N 2.215 117.932 115.700 0.029 0.000 2.667 53 S HA 0.604 5.074 4.470 -0.000 0.000 0.304 53 S C 0.286 174.894 174.600 0.014 0.000 1.135 53 S CA 0.200 58.406 58.200 0.010 0.000 1.125 53 S CB -0.311 62.886 63.200 -0.005 0.000 0.996 53 S HN 1.241 nan 8.310 nan 0.000 0.474 54 G N 3.580 112.380 108.800 -0.000 0.000 2.574 54 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.282 54 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.282 54 G C 1.011 175.902 174.900 -0.015 0.000 1.257 54 G CA 0.353 45.443 45.100 -0.017 0.000 0.956 54 G HN 1.386 nan 8.290 nan 0.000 0.560 55 S N 0.306 115.994 115.700 -0.020 0.000 2.603 55 S HA 0.085 4.555 4.470 -0.000 0.000 0.229 55 S C 0.887 175.494 174.600 0.012 0.000 0.972 55 S CA 1.381 59.564 58.200 -0.029 0.000 0.935 55 S CB -0.507 62.681 63.200 -0.020 0.000 0.769 55 S HN 0.616 nan 8.310 nan 0.000 0.536 56 N N 0.062 118.785 118.700 0.038 0.000 2.443 56 N HA 0.466 5.206 4.740 -0.000 0.000 0.293 56 N C -1.083 174.407 175.510 -0.033 0.000 1.159 56 N CA -0.615 52.456 53.050 0.035 0.000 0.904 56 N CB 0.505 39.021 38.487 0.049 0.000 1.214 56 N HN 0.071 nan 8.380 nan 0.000 0.513 57 F N 0.340 120.256 119.950 -0.056 0.000 2.529 57 F HA 0.207 4.734 4.527 0.000 0.000 0.365 57 F C 1.196 176.723 175.800 -0.455 0.000 1.102 57 F CA 0.419 58.157 58.000 -0.436 0.000 1.271 57 F CB 0.541 39.257 39.000 -0.473 0.000 1.120 57 F HN 0.144 nan 8.300 nan 0.000 0.579 58 S N 3.794 119.197 115.700 -0.496 0.000 2.776 58 S HA 0.465 4.935 4.470 -0.000 0.000 0.284 58 S C -0.358 173.930 174.600 -0.520 0.000 1.160 58 S CA -0.570 57.417 58.200 -0.355 0.000 1.051 58 S CB 0.016 63.134 63.200 -0.136 0.000 1.037 58 S HN 0.434 nan 8.310 nan 0.000 0.485 59 F N 2.288 122.187 119.950 -0.085 0.000 2.639 59 F HA 0.223 4.750 4.527 0.000 0.000 0.302 59 F C 2.152 177.966 175.800 0.023 0.000 1.097 59 F CA -0.227 57.704 58.000 -0.115 0.000 1.294 59 F CB -0.023 38.638 39.000 -0.565 0.000 1.027 59 F HN 0.459 nan 8.300 nan 0.000 0.550 60 T N -0.040 114.604 114.554 0.149 0.000 2.652 60 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 60 T C 1.828 176.625 174.700 0.161 0.000 1.039 60 T CA 2.038 64.222 62.100 0.139 0.000 1.153 60 T CB -0.333 68.587 68.868 0.087 0.000 0.863 60 T HN 0.389 nan 8.240 nan 0.000 0.428 61 N N 0.766 119.566 118.700 0.166 0.000 2.171 61 N HA -0.080 4.660 4.740 -0.000 0.000 0.184 61 N C 2.267 177.915 175.510 0.231 0.000 1.021 61 N CA 1.234 54.388 53.050 0.174 0.000 0.854 61 N CB -0.069 38.522 38.487 0.174 0.000 0.994 61 N HN 0.412 nan 8.380 nan 0.000 0.426 62 S N 0.932 116.815 115.700 0.305 0.000 2.383 62 S HA -0.108 4.362 4.470 -0.000 0.000 0.227 62 S C 1.329 176.204 174.600 0.458 0.000 1.026 62 S CA 1.056 59.494 58.200 0.397 0.000 0.981 62 S CB -0.220 63.320 63.200 0.567 0.000 0.818 62 S HN 0.146 nan 8.310 nan 0.000 0.472 63 D N 1.712 122.362 120.400 0.418 0.000 2.144 63 D HA -0.078 4.562 4.640 -0.000 0.000 0.199 63 D C 2.056 178.514 176.300 0.263 0.000 0.984 63 D CA 1.033 55.236 54.000 0.339 0.000 0.834 63 D CB -0.395 40.544 40.800 0.233 0.000 0.955 63 D HN 0.490 nan 8.370 nan 0.000 0.465 64 R N 0.135 120.768 120.500 0.220 0.000 2.083 64 R HA -0.155 4.185 4.340 -0.000 0.000 0.237 64 R C 2.202 178.675 176.300 0.288 0.000 1.137 64 R CA 1.022 57.230 56.100 0.180 0.000 0.951 64 R CB -0.372 29.980 30.300 0.088 0.000 0.851 64 R HN 0.142 nan 8.270 nan 0.000 0.434 65 L N 0.306 121.724 121.223 0.325 0.000 2.109 65 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 65 L C 2.016 179.082 176.870 0.326 0.000 1.086 65 L CA 1.301 56.359 54.840 0.364 0.000 0.760 65 L CB -0.140 42.048 42.059 0.215 0.000 0.910 65 L HN 0.008 nan 8.230 nan 0.000 0.437 66 V N -1.163 118.918 119.914 0.279 0.000 2.407 66 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 66 V C 2.732 178.957 176.094 0.218 0.000 1.055 66 V CA 1.739 64.178 62.300 0.232 0.000 1.049 66 V CB -0.694 31.319 31.823 0.316 0.000 0.662 66 V HN 0.621 nan 8.190 nan 0.000 0.455 67 S N -1.384 114.454 115.700 0.230 0.000 2.383 67 S HA -0.255 4.215 4.470 -0.000 0.000 0.227 67 S C 1.664 176.379 174.600 0.191 0.000 1.026 67 S CA 1.667 59.969 58.200 0.170 0.000 0.981 67 S CB -0.463 62.822 63.200 0.142 0.000 0.818 67 S HN 0.726 nan 8.310 nan 0.000 0.472 68 W N 2.141 123.520 121.300 0.131 0.000 2.335 68 W HA -0.145 4.515 4.660 0.000 0.000 0.311 68 W C 2.424 178.993 176.519 0.083 0.000 1.213 68 W CA 1.987 59.424 57.345 0.154 0.000 1.274 68 W CB -0.813 28.842 29.460 0.326 0.000 1.148 68 W HN 0.364 nan 8.180 nan 0.000 0.498 69 A N 0.792 123.832 122.820 0.367 0.000 1.892 69 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 69 A C 2.089 179.632 177.584 -0.069 0.000 1.188 69 A CA 2.901 55.019 52.037 0.135 0.000 0.631 69 A CB -1.694 17.414 19.000 0.180 0.000 0.822 69 A HN 0.503 nan 8.150 nan 0.000 0.447 70 A N -0.987 121.823 122.820 -0.015 0.000 1.978 70 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 70 A C 1.985 179.506 177.584 -0.105 0.000 1.170 70 A CA 1.710 53.723 52.037 -0.041 0.000 0.636 70 A CB -0.453 18.546 19.000 -0.001 0.000 0.810 70 A HN 0.706 nan 8.150 nan 0.000 0.448 71 Q N -0.964 118.731 119.800 -0.174 0.000 2.319 71 Q HA 0.158 4.498 4.340 -0.000 0.000 0.202 71 Q C -0.027 175.770 176.000 -0.338 0.000 0.896 71 Q CA 0.008 55.684 55.803 -0.212 0.000 0.942 71 Q CB 0.335 28.966 28.738 -0.178 0.000 1.083 71 Q HN 0.553 nan 8.270 nan 0.000 0.510 72 N N -0.188 118.227 118.700 -0.475 0.000 2.433 72 N HA 0.115 4.855 4.740 -0.000 0.000 0.270 72 N C -0.037 175.280 175.510 -0.322 0.000 1.354 72 N CA 0.451 53.168 53.050 -0.555 0.000 0.889 72 N CB 1.720 39.464 38.487 -1.238 0.000 1.285 72 N HN 0.300 nan 8.380 nan 0.000 0.503 73 G N 1.381 110.066 108.800 -0.193 0.000 2.160 73 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.251 73 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.251 73 G C -0.185 174.687 174.900 -0.047 0.000 1.008 73 G CA 0.157 45.198 45.100 -0.098 0.000 0.724 73 G HN 0.268 nan 8.290 nan 0.000 0.514 74 Q N 0.420 120.195 119.800 -0.042 0.000 2.365 74 Q HA 0.584 4.924 4.340 -0.000 0.000 0.269 74 Q C 0.682 176.689 176.000 0.012 0.000 1.061 74 Q CA 0.049 55.862 55.803 0.017 0.000 0.816 74 Q CB 1.820 30.600 28.738 0.070 0.000 1.325 74 Q HN 0.576 nan 8.270 nan 0.000 0.446 75 T N -2.144 112.422 114.554 0.020 0.000 2.726 75 T HA 0.512 4.862 4.350 -0.000 0.000 0.294 75 T C 0.313 175.010 174.700 -0.005 0.000 1.013 75 T CA -0.537 61.569 62.100 0.009 0.000 0.996 75 T CB 0.566 69.446 68.868 0.021 0.000 1.016 75 T HN 0.277 nan 8.240 nan 0.000 0.529 76 V N 1.465 121.351 119.914 -0.047 0.000 2.487 76 V HA 0.332 4.452 4.120 -0.000 0.000 0.298 76 V C -0.240 175.762 176.094 -0.155 0.000 1.028 76 V CA -0.926 61.309 62.300 -0.107 0.000 0.860 76 V CB 1.355 33.076 31.823 -0.171 0.000 0.991 76 V HN 0.993 nan 8.190 nan 0.000 0.427 77 H N 3.305 122.238 119.070 -0.227 0.000 2.517 77 H HA 0.489 5.045 4.556 -0.000 0.000 0.317 77 H C 0.177 175.284 175.328 -0.368 0.000 1.080 77 H CA -0.173 55.715 56.048 -0.267 0.000 1.301 77 H CB 1.781 31.441 29.762 -0.169 0.000 1.425 77 H HN 0.820 nan 8.280 nan 0.000 0.471 78 G N 3.205 111.378 108.800 -1.045 0.000 2.333 78 G HA2 0.133 4.093 3.960 -0.000 0.000 0.290 78 G HA3 0.133 4.093 3.960 -0.000 0.000 0.290 78 G C -0.929 173.754 174.900 -0.362 0.000 1.150 78 G CA -0.270 44.172 45.100 -1.095 0.000 0.895 78 G HN 0.782 nan 8.290 nan 0.000 0.444 79 H N 0.786 119.771 119.070 -0.142 0.000 2.866 79 H HA 0.608 5.164 4.556 -0.000 0.000 0.287 79 H C -0.538 174.861 175.328 0.118 0.000 1.106 79 H CA -0.211 55.852 56.048 0.025 0.000 1.396 79 H CB 1.467 31.267 29.762 0.064 0.000 1.469 79 H HN 0.613 nan 8.280 nan 0.000 0.500 80 T N 4.367 118.932 114.554 0.018 0.000 2.957 80 T HA 0.174 4.524 4.350 -0.000 0.000 0.336 80 T C 0.573 175.348 174.700 0.124 0.000 1.462 80 T CA -0.692 61.428 62.100 0.033 0.000 1.073 80 T CB 0.831 69.490 68.868 -0.349 0.000 1.319 80 T HN 0.506 nan 8.240 nan 0.000 0.485 81 L N 2.391 123.632 121.223 0.030 0.000 2.109 81 L HA 0.278 4.618 4.340 -0.000 0.000 0.207 81 L C 0.338 177.220 176.870 0.020 0.000 1.086 81 L CA 0.733 55.527 54.840 -0.076 0.000 0.760 81 L CB 0.063 41.885 42.059 -0.395 0.000 0.910 81 L HN 0.399 nan 8.230 nan 0.000 0.437 82 V N -1.666 118.230 119.914 -0.029 0.000 2.686 82 V HA 0.443 4.563 4.120 -0.000 0.000 0.306 82 V C -1.579 174.596 176.094 0.135 0.000 1.065 82 V CA -0.680 61.569 62.300 -0.085 0.000 0.894 82 V CB 2.456 34.145 31.823 -0.222 0.000 1.004 82 V HN 0.232 nan 8.190 nan 0.000 0.424 83 W N 4.318 125.596 121.300 -0.037 0.000 3.700 83 W HA 0.450 5.110 4.660 0.000 0.000 0.279 83 W C 0.474 177.133 176.519 0.232 0.000 1.270 83 W CA -1.015 56.379 57.345 0.082 0.000 1.216 83 W CB 1.169 30.580 29.460 -0.082 0.000 1.292 83 W HN 0.871 nan 8.180 nan 0.000 0.557 84 H N 0.985 120.104 119.070 0.083 0.000 2.502 84 H HA 0.366 4.922 4.556 -0.000 0.000 0.283 84 H C -1.783 173.328 175.328 -0.363 0.000 1.015 84 H CA 0.285 56.319 56.048 -0.023 0.000 1.298 84 H CB -1.396 28.399 29.762 0.054 0.000 1.411 84 H HN -0.055 nan 8.280 nan 0.000 0.556 85 P HA 0.078 nan 4.420 nan 0.000 0.271 85 P C 0.512 177.441 177.300 -0.619 0.000 1.220 85 P CA 0.365 62.956 63.100 -0.848 0.000 0.768 85 P CB 1.640 32.603 31.700 -1.229 0.000 0.848 86 S N 2.412 117.943 115.700 -0.282 0.000 2.400 86 S HA -0.211 4.259 4.470 -0.000 0.000 0.232 86 S C 1.580 176.064 174.600 -0.194 0.000 1.025 86 S CA 1.488 59.566 58.200 -0.203 0.000 0.993 86 S CB -1.138 62.008 63.200 -0.089 0.000 0.808 86 S HN 0.675 nan 8.310 nan 0.000 0.478 87 Y N 2.567 122.772 120.300 -0.157 0.000 2.274 87 Y HA -0.116 4.434 4.550 -0.000 0.000 0.290 87 Y C 1.855 177.699 175.900 -0.093 0.000 1.145 87 Y CA 1.259 59.295 58.100 -0.106 0.000 1.203 87 Y CB -0.780 37.640 38.460 -0.066 0.000 0.984 87 Y HN 0.349 nan 8.280 nan 0.000 0.533 88 Q N 0.721 120.178 119.800 -0.573 0.000 2.179 88 Q HA 0.330 4.670 4.340 -0.000 0.000 0.213 88 Q C -0.494 175.345 176.000 -0.268 0.000 0.833 88 Q CA -0.051 55.563 55.803 -0.315 0.000 0.990 88 Q CB -0.295 28.285 28.738 -0.262 0.000 1.132 88 Q HN 0.494 nan 8.270 nan 0.000 0.493 89 L N 2.829 123.852 121.223 -0.334 0.000 2.410 89 L HA 0.353 4.693 4.340 -0.000 0.000 0.273 89 L C -2.057 174.559 176.870 -0.422 0.000 1.152 89 L CA -2.066 52.559 54.840 -0.358 0.000 0.855 89 L CB 0.519 42.359 42.059 -0.364 0.000 1.129 89 L HN 0.066 nan 8.230 nan 0.000 0.463 90 P HA 0.073 nan 4.420 nan 0.000 0.270 90 P C -0.123 176.704 177.300 -0.787 0.000 1.223 90 P CA -0.300 62.313 63.100 -0.811 0.000 0.785 90 P CB 0.512 31.407 31.700 -1.343 0.000 0.923 91 N N 0.842 119.199 118.700 -0.571 0.000 2.381 91 N HA -0.109 4.631 4.740 -0.000 0.000 0.182 91 N C 1.569 176.931 175.510 -0.247 0.000 1.025 91 N CA 0.845 53.689 53.050 -0.343 0.000 0.888 91 N CB -0.489 37.864 38.487 -0.224 0.000 0.965 91 N HN 0.677 nan 8.380 nan 0.000 0.438 92 W N 0.822 121.960 121.300 -0.269 0.000 2.421 92 W HA 0.150 4.810 4.660 -0.000 0.000 0.270 92 W C 0.163 176.619 176.519 -0.105 0.000 1.233 92 W CA 0.099 57.332 57.345 -0.188 0.000 1.226 92 W CB -0.454 28.861 29.460 -0.242 0.000 1.121 92 W HN -0.082 nan 8.180 nan 0.000 0.579 93 A N 2.187 124.671 122.820 -0.560 0.000 3.056 93 A HA 0.375 4.695 4.320 -0.000 0.000 0.274 93 A C -0.056 177.510 177.584 -0.030 0.000 1.661 93 A CA 0.305 52.131 52.037 -0.351 0.000 1.363 93 A CB -0.598 17.861 19.000 -0.902 0.000 1.139 93 A HN 0.161 nan 8.150 nan 0.000 0.598 94 S N -0.055 115.766 115.700 0.202 0.000 2.570 94 S HA 0.351 4.821 4.470 -0.000 0.000 0.286 94 S C 0.255 174.877 174.600 0.037 0.000 1.099 94 S CA -0.602 57.627 58.200 0.049 0.000 0.913 94 S CB 1.196 64.403 63.200 0.011 0.000 1.085 94 S HN 0.470 nan 8.310 nan 0.000 0.480 95 D N 2.010 122.367 120.400 -0.072 0.000 2.178 95 D HA -0.090 4.550 4.640 -0.000 0.000 0.201 95 D C 1.871 178.133 176.300 -0.063 0.000 0.980 95 D CA 1.698 55.629 54.000 -0.116 0.000 0.842 95 D CB -0.098 40.639 40.800 -0.106 0.000 0.948 95 D HN 0.660 nan 8.370 nan 0.000 0.472 96 S N 0.333 116.020 115.700 -0.022 0.000 2.489 96 S HA -0.108 4.362 4.470 -0.000 0.000 0.228 96 S C 0.892 175.504 174.600 0.020 0.000 0.995 96 S CA -0.176 58.019 58.200 -0.009 0.000 0.934 96 S CB -0.171 63.025 63.200 -0.008 0.000 0.771 96 S HN -0.004 nan 8.310 nan 0.000 0.522 97 N N 1.899 120.640 118.700 0.069 0.000 2.420 97 N HA 0.421 5.161 4.740 -0.000 0.000 0.262 97 N C 0.723 176.300 175.510 0.112 0.000 1.144 97 N CA 0.413 53.537 53.050 0.125 0.000 0.952 97 N CB 1.078 39.717 38.487 0.253 0.000 1.081 97 N HN 0.244 nan 8.380 nan 0.000 0.480 98 A N 3.813 126.673 122.820 0.067 0.000 2.119 98 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 98 A C 1.448 179.069 177.584 0.062 0.000 1.152 98 A CA 0.604 52.666 52.037 0.043 0.000 0.708 98 A CB -0.134 18.875 19.000 0.015 0.000 0.805 98 A HN 0.688 nan 8.150 nan 0.000 0.460 99 N N -1.202 117.550 118.700 0.086 0.000 2.276 99 N HA 0.129 4.869 4.740 -0.000 0.000 0.212 99 N C 0.701 176.273 175.510 0.102 0.000 1.127 99 N CA -0.356 52.734 53.050 0.067 0.000 0.834 99 N CB -0.613 37.893 38.487 0.031 0.000 1.014 99 N HN 0.401 nan 8.380 nan 0.000 0.491 100 F N 1.708 121.673 119.950 0.026 0.000 2.085 100 F HA -0.295 4.232 4.527 -0.000 0.000 0.299 100 F C 2.061 177.893 175.800 0.053 0.000 1.096 100 F CA 1.723 59.784 58.000 0.101 0.000 1.227 100 F CB 0.250 39.308 39.000 0.097 0.000 0.983 100 F HN 0.043 nan 8.300 nan 0.000 0.482 101 R N 0.219 120.849 120.500 0.217 0.000 2.083 101 R HA -0.233 4.107 4.340 -0.000 0.000 0.237 101 R C 2.245 178.589 176.300 0.074 0.000 1.137 101 R CA 1.879 58.037 56.100 0.095 0.000 0.951 101 R CB -1.359 28.908 30.300 -0.055 0.000 0.851 101 R HN 0.523 nan 8.270 nan 0.000 0.434 102 Q N 0.586 120.389 119.800 0.004 0.000 2.119 102 Q HA -0.140 4.200 4.340 -0.000 0.000 0.201 102 Q C 1.046 176.964 176.000 -0.136 0.000 0.972 102 Q CA 1.583 57.370 55.803 -0.027 0.000 0.847 102 Q CB 0.098 28.823 28.738 -0.022 0.000 0.903 102 Q HN 0.212 nan 8.270 nan 0.000 0.433 103 D N -0.125 120.085 120.400 -0.315 0.000 2.178 103 D HA -0.136 4.504 4.640 -0.000 0.000 0.202 103 D C 1.504 177.144 176.300 -1.100 0.000 0.974 103 D CA 0.645 54.196 54.000 -0.748 0.000 0.841 103 D CB -0.310 39.895 40.800 -0.992 0.000 0.953 103 D HN 0.273 nan 8.370 nan 0.000 0.478 104 F N 1.798 121.124 119.950 -1.040 0.000 2.120 104 F HA -0.267 4.260 4.527 -0.000 0.000 0.300 104 F C 2.233 177.952 175.800 -0.135 0.000 1.095 104 F CA 1.792 59.478 58.000 -0.523 0.000 1.249 104 F CB 0.066 39.050 39.000 -0.026 0.000 0.995 104 F HN -0.056 nan 8.300 nan 0.000 0.480 105 A N 0.231 123.073 122.820 0.037 0.000 1.873 105 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 105 A C 2.275 179.837 177.584 -0.036 0.000 1.186 105 A CA 1.616 53.670 52.037 0.029 0.000 0.616 105 A CB -0.820 18.230 19.000 0.085 0.000 0.823 105 A HN 0.463 nan 8.150 nan 0.000 0.442 106 R N -1.404 119.085 120.500 -0.017 0.000 2.092 106 R HA -0.171 4.169 4.340 -0.000 0.000 0.231 106 R C 2.233 178.624 176.300 0.152 0.000 1.119 106 R CA 1.476 57.610 56.100 0.057 0.000 0.970 106 R CB -0.494 29.900 30.300 0.157 0.000 0.864 106 R HN 0.784 nan 8.270 nan 0.000 0.440 107 H N 0.465 119.644 119.070 0.182 0.000 2.290 107 H HA -0.139 4.417 4.556 -0.000 0.000 0.298 107 H C 2.013 177.367 175.328 0.043 0.000 1.087 107 H CA 2.357 58.613 56.048 0.347 0.000 1.291 107 H CB -0.050 29.969 29.762 0.428 0.000 1.369 107 H HN 0.223 nan 8.280 nan 0.000 0.492 108 I N 0.698 121.221 120.570 -0.078 0.000 2.252 108 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 108 I C 2.184 178.149 176.117 -0.254 0.000 1.102 108 I CA 1.241 62.395 61.300 -0.243 0.000 1.385 108 I CB -0.238 37.575 38.000 -0.312 0.000 1.064 108 I HN 0.191 nan 8.210 nan 0.000 0.414 109 D N 0.460 120.750 120.400 -0.184 0.000 2.097 109 D HA -0.149 4.491 4.640 -0.000 0.000 0.195 109 D C 2.259 178.432 176.300 -0.212 0.000 0.989 109 D CA 1.665 55.567 54.000 -0.164 0.000 0.827 109 D CB -0.418 40.313 40.800 -0.116 0.000 0.966 109 D HN 0.236 nan 8.370 nan 0.000 0.456 110 T N 0.190 114.566 114.554 -0.296 0.000 2.737 110 T HA -0.062 4.288 4.350 -0.000 0.000 0.265 110 T C 2.238 176.732 174.700 -0.343 0.000 1.038 110 T CA 0.754 62.615 62.100 -0.398 0.000 1.144 110 T CB -0.314 68.053 68.868 -0.835 0.000 0.866 110 T HN -0.044 nan 8.240 nan 0.000 0.434 111 V N 1.670 121.417 119.914 -0.277 0.000 2.307 111 V HA -0.113 4.007 4.120 -0.000 0.000 0.245 111 V C 2.884 179.002 176.094 0.041 0.000 1.045 111 V CA 1.706 63.937 62.300 -0.115 0.000 1.024 111 V CB -1.168 30.611 31.823 -0.074 0.000 0.651 111 V HN 0.514 nan 8.190 nan 0.000 0.449 112 A N -0.116 122.609 122.820 -0.159 0.000 1.873 112 A HA -0.016 4.304 4.320 -0.000 0.000 0.215 112 A C 2.386 180.004 177.584 0.057 0.000 1.186 112 A CA 1.949 53.943 52.037 -0.072 0.000 0.616 112 A CB -0.743 18.074 19.000 -0.306 0.000 0.823 112 A HN 0.538 nan 8.150 nan 0.000 0.442 113 A N -1.341 121.439 122.820 -0.066 0.000 1.872 113 A HA -0.163 4.157 4.320 -0.000 0.000 0.214 113 A C 2.109 179.612 177.584 -0.136 0.000 1.187 113 A CA 1.580 53.569 52.037 -0.080 0.000 0.614 113 A CB -1.035 17.899 19.000 -0.109 0.000 0.826 113 A HN 0.730 nan 8.150 nan 0.000 0.442 114 H N -1.527 117.344 119.070 -0.332 0.000 2.357 114 H HA -0.188 4.368 4.556 0.000 0.000 0.296 114 H C 1.054 176.097 175.328 -0.474 0.000 1.108 114 H CA 2.096 57.798 56.048 -0.577 0.000 1.273 114 H CB -0.213 28.824 29.762 -1.208 0.000 1.367 114 H HN 0.457 nan 8.280 nan 0.000 0.498 115 F N 0.802 120.677 119.950 -0.124 0.000 2.732 115 F HA 0.316 4.843 4.527 -0.000 0.000 0.303 115 F C 1.352 177.146 175.800 -0.010 0.000 1.110 115 F CA 0.330 58.314 58.000 -0.026 0.000 1.355 115 F CB -0.181 38.966 39.000 0.246 0.000 1.081 115 F HN 0.117 nan 8.300 nan 0.000 0.565 116 A N -0.005 122.876 122.820 0.102 0.000 2.546 116 A HA 0.396 4.716 4.320 -0.000 0.000 0.243 116 A C 1.578 179.186 177.584 0.041 0.000 1.063 116 A CA 0.818 52.904 52.037 0.082 0.000 0.757 116 A CB -0.684 18.332 19.000 0.028 0.000 0.991 116 A HN 0.936 nan 8.150 nan 0.000 0.503 117 G N 1.343 110.174 108.800 0.051 0.000 2.176 117 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.253 117 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.253 117 G C 0.576 175.493 174.900 0.029 0.000 0.979 117 G CA 0.805 45.922 45.100 0.028 0.000 0.641 117 G HN 0.813 nan 8.290 nan 0.000 0.530 118 Q N -1.123 118.709 119.800 0.054 0.000 2.280 118 Q HA 0.434 4.774 4.340 -0.000 0.000 0.244 118 Q C 0.251 176.256 176.000 0.009 0.000 0.847 118 Q CA 0.405 56.244 55.803 0.060 0.000 0.945 118 Q CB 1.913 30.733 28.738 0.136 0.000 1.115 118 Q HN 0.385 nan 8.270 nan 0.000 0.513 119 V N 1.318 121.212 119.914 -0.033 0.000 2.604 119 V HA 0.168 4.288 4.120 -0.000 0.000 0.305 119 V C 0.542 176.561 176.094 -0.126 0.000 1.043 119 V CA -0.451 61.733 62.300 -0.192 0.000 0.888 119 V CB 2.000 33.527 31.823 -0.494 0.000 0.995 119 V HN 0.067 nan 8.190 nan 0.000 0.429 120 K N 2.276 122.613 120.400 -0.105 0.000 2.228 120 K HA 0.083 4.403 4.320 -0.000 0.000 0.202 120 K C 0.501 177.121 176.600 0.033 0.000 1.051 120 K CA 1.127 57.411 56.287 -0.004 0.000 0.960 120 K CB 0.335 32.857 32.500 0.036 0.000 0.743 120 K HN 0.871 nan 8.250 nan 0.000 0.458 121 S N -1.959 113.695 115.700 -0.076 0.000 2.567 121 S HA 0.436 4.906 4.470 -0.000 0.000 0.270 121 S C -1.800 172.598 174.600 -0.337 0.000 1.152 121 S CA -1.171 57.064 58.200 0.058 0.000 0.835 121 S CB 0.549 63.982 63.200 0.389 0.000 1.115 121 S HN 0.244 nan 8.310 nan 0.000 0.459 122 W N 0.516 121.790 121.300 -0.043 0.000 2.915 122 W HA 0.455 5.115 4.660 -0.000 0.000 0.337 122 W C -1.169 175.302 176.519 -0.079 0.000 1.102 122 W CA -0.379 56.828 57.345 -0.229 0.000 1.224 122 W CB 1.561 30.946 29.460 -0.124 0.000 1.416 122 W HN 0.577 nan 8.180 nan 0.000 0.503 123 D N 2.661 123.127 120.400 0.111 0.000 2.398 123 D HA 0.050 4.690 4.640 -0.000 0.000 0.250 123 D C 1.115 177.488 176.300 0.122 0.000 1.287 123 D CA 0.312 54.437 54.000 0.208 0.000 0.992 123 D CB 1.007 41.923 40.800 0.193 0.000 1.071 123 D HN 0.090 nan 8.370 nan 0.000 0.514 124 V N 1.983 121.902 119.914 0.008 0.000 2.323 124 V HA -0.105 4.015 4.120 -0.000 0.000 0.244 124 V C 1.065 177.023 176.094 -0.228 0.000 1.041 124 V CA 0.988 63.115 62.300 -0.288 0.000 1.025 124 V CB 0.136 31.465 31.823 -0.823 0.000 0.656 124 V HN 0.266 nan 8.190 nan 0.000 0.451 125 V N 0.694 120.549 119.914 -0.098 0.000 2.588 125 V HA 0.488 4.608 4.120 -0.000 0.000 0.304 125 V C -0.828 175.289 176.094 0.039 0.000 1.042 125 V CA -0.753 61.609 62.300 0.103 0.000 0.877 125 V CB 1.823 33.843 31.823 0.328 0.000 0.996 125 V HN 0.424 nan 8.190 nan 0.000 0.425 126 N N 2.403 121.141 118.700 0.063 0.000 2.342 126 N HA 0.392 5.132 4.740 -0.000 0.000 0.293 126 N C -0.164 175.504 175.510 0.263 0.000 1.026 126 N CA -0.383 52.625 53.050 -0.070 0.000 0.857 126 N CB 1.178 39.434 38.487 -0.384 0.000 1.256 126 N HN 0.761 nan 8.380 nan 0.000 0.484 127 E N 1.044 121.362 120.200 0.197 0.000 2.340 127 E HA -0.238 4.112 4.350 -0.000 0.000 0.240 127 E C -0.102 176.819 176.600 0.535 0.000 1.154 127 E CA 0.570 57.243 56.400 0.454 0.000 0.717 127 E CB -1.490 28.691 29.700 0.802 0.000 1.250 127 E HN 0.610 nan 8.360 nan 0.000 0.386 128 A N -0.007 123.171 122.820 0.597 0.000 2.167 128 A HA 0.121 4.441 4.320 -0.000 0.000 0.214 128 A C 0.954 178.802 177.584 0.441 0.000 1.151 128 A CA 0.333 52.738 52.037 0.613 0.000 0.735 128 A CB 0.231 19.640 19.000 0.682 0.000 0.802 128 A HN 0.266 nan 8.150 nan 0.000 0.467 129 L N -0.558 120.839 121.223 0.289 0.000 2.334 129 L HA 0.377 4.717 4.340 -0.000 0.000 0.277 129 L C 0.140 177.053 176.870 0.072 0.000 1.075 129 L CA -0.907 53.996 54.840 0.104 0.000 0.804 129 L CB 0.919 42.982 42.059 0.007 0.000 1.174 129 L HN 0.363 nan 8.230 nan 0.000 0.438 130 F N 3.049 122.965 119.950 -0.057 0.000 2.563 130 F HA 0.108 4.635 4.527 -0.000 0.000 0.363 130 F C 0.159 175.915 175.800 -0.074 0.000 1.123 130 F CA 0.264 58.228 58.000 -0.060 0.000 1.307 130 F CB 0.390 39.349 39.000 -0.069 0.000 1.115 130 F HN 0.407 nan 8.300 nan 0.000 0.592 131 D N 3.243 122.973 120.400 -1.117 0.000 2.763 131 D HA 0.093 4.733 4.640 -0.000 0.000 0.235 131 D C 0.370 176.108 176.300 -0.938 0.000 1.334 131 D CA 0.082 53.587 54.000 -0.825 0.000 0.950 131 D CB 1.921 42.501 40.800 -0.367 0.000 1.433 131 D HN 0.592 nan 8.370 nan 0.000 0.580 132 S N 2.027 117.298 115.700 -0.715 0.000 2.447 132 S HA -0.103 4.367 4.470 -0.000 0.000 0.233 132 S C 1.752 176.272 174.600 -0.133 0.000 1.006 132 S CA 0.922 58.940 58.200 -0.303 0.000 0.957 132 S CB 0.036 63.219 63.200 -0.028 0.000 0.773 132 S HN 0.414 nan 8.310 nan 0.000 0.507 133 A N 0.689 123.450 122.820 -0.098 0.000 2.206 133 A HA 0.181 4.501 4.320 -0.000 0.000 0.211 133 A C 1.216 178.823 177.584 0.039 0.000 1.158 133 A CA 1.008 53.036 52.037 -0.016 0.000 0.761 133 A CB -0.242 18.764 19.000 0.010 0.000 0.801 133 A HN 0.485 nan 8.150 nan 0.000 0.473 134 D N -0.755 119.656 120.400 0.018 0.000 2.952 134 D HA 0.190 4.830 4.640 -0.000 0.000 0.373 134 D C -1.067 175.223 176.300 -0.016 0.000 1.360 134 D CA -0.263 53.784 54.000 0.078 0.000 0.788 134 D CB 0.101 41.060 40.800 0.265 0.000 1.192 134 D HN 0.070 nan 8.370 nan 0.000 0.462 135 D N 0.563 120.942 120.400 -0.035 0.000 2.749 135 D HA 0.231 4.871 4.640 -0.000 0.000 0.338 135 D C -1.550 174.777 176.300 0.044 0.000 1.236 135 D CA -1.772 52.229 54.000 0.001 0.000 0.845 135 D CB 1.150 41.975 40.800 0.042 0.000 1.080 135 D HN 0.072 nan 8.370 nan 0.000 0.497 136 P HA -0.028 nan 4.420 nan 0.000 0.225 136 P C 0.092 177.415 177.300 0.039 0.000 1.148 136 P CA 0.757 63.884 63.100 0.044 0.000 0.779 136 P CB 0.505 32.234 31.700 0.049 0.000 0.780 137 D N -1.000 119.424 120.400 0.040 0.000 2.363 137 D HA 0.196 4.836 4.640 -0.000 0.000 0.214 137 D C 1.288 177.611 176.300 0.039 0.000 1.093 137 D CA 0.290 54.309 54.000 0.031 0.000 0.837 137 D CB -0.468 40.344 40.800 0.020 0.000 0.948 137 D HN 0.082 nan 8.370 nan 0.000 0.507 138 G N 1.929 110.765 108.800 0.060 0.000 2.356 138 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.296 138 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.296 138 G C 1.119 176.055 174.900 0.060 0.000 1.022 138 G CA 0.318 45.462 45.100 0.072 0.000 0.961 138 G HN 0.355 nan 8.290 nan 0.000 0.510 139 R N 0.072 120.615 120.500 0.072 0.000 2.153 139 R HA 0.349 4.689 4.340 -0.000 0.000 0.218 139 R C 1.815 178.099 176.300 -0.026 0.000 1.072 139 R CA 0.660 56.775 56.100 0.025 0.000 0.990 139 R CB -0.062 30.252 30.300 0.023 0.000 0.889 139 R HN 1.586 nan 8.270 nan 0.000 0.452 140 G N 0.670 109.471 108.800 0.002 0.000 2.829 140 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.628 140 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.628 140 G C -0.511 173.944 174.900 -0.740 0.000 1.412 140 G CA -0.255 44.639 45.100 -0.343 0.000 0.864 140 G HN 0.227 nan 8.290 nan 0.000 0.544 141 S N -0.465 114.479 115.700 -1.259 0.000 2.545 141 S HA 0.649 5.119 4.470 -0.000 0.000 0.275 141 S C 0.642 175.002 174.600 -0.399 0.000 1.299 141 S CA 0.714 58.324 58.200 -0.983 0.000 1.048 141 S CB 0.741 63.368 63.200 -0.956 0.000 0.938 141 S HN 2.174 nan 8.310 nan 0.000 0.496 142 A N 4.972 127.647 122.820 -0.241 0.000 2.644 142 A HA 0.503 4.823 4.320 -0.000 0.000 0.343 142 A C 0.387 178.014 177.584 0.071 0.000 1.324 142 A CA -0.738 51.243 52.037 -0.094 0.000 0.846 142 A CB -0.424 18.470 19.000 -0.177 0.000 1.128 142 A HN 0.981 nan 8.150 nan 0.000 0.484 143 N N 1.247 119.965 118.700 0.030 0.000 2.735 143 N HA -0.240 4.500 4.740 -0.000 0.000 0.248 143 N C 1.023 176.530 175.510 -0.005 0.000 1.083 143 N CA 2.100 55.190 53.050 0.067 0.000 0.703 143 N CB -1.219 37.377 38.487 0.182 0.000 1.005 143 N HN 1.919 nan 8.380 nan 0.000 0.550 144 G N -2.177 106.575 108.800 -0.080 0.000 2.195 144 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.246 144 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.246 144 G C -0.116 174.672 174.900 -0.187 0.000 0.984 144 G CA 0.370 45.379 45.100 -0.153 0.000 0.633 144 G HN 0.452 nan 8.290 nan 0.000 0.525 145 Y N 0.693 121.000 120.300 0.011 0.000 2.320 145 Y HA 0.610 5.160 4.550 -0.000 0.000 0.324 145 Y C 1.080 176.953 175.900 -0.044 0.000 1.190 145 Y CA -0.741 57.369 58.100 0.017 0.000 1.215 145 Y CB 0.797 39.279 38.460 0.036 0.000 1.221 145 Y HN 0.181 nan 8.280 nan 0.000 0.486 146 R N 2.287 122.923 120.500 0.227 0.000 2.401 146 R HA 0.074 4.414 4.340 -0.000 0.000 0.299 146 R C -0.612 175.671 176.300 -0.028 0.000 1.064 146 R CA -0.131 56.060 56.100 0.152 0.000 1.000 146 R CB 0.391 30.783 30.300 0.154 0.000 0.973 146 R HN 0.765 nan 8.270 nan 0.000 0.438 147 Q N 2.940 122.670 119.800 -0.118 0.000 3.247 147 Q HA 0.070 4.410 4.340 -0.000 0.000 0.326 147 Q C 0.150 176.162 176.000 0.020 0.000 1.402 147 Q CA -0.310 55.394 55.803 -0.165 0.000 0.994 147 Q CB 0.600 29.238 28.738 -0.168 0.000 1.647 147 Q HN 0.675 nan 8.270 nan 0.000 0.523 148 S N -1.394 114.362 115.700 0.093 0.000 2.633 148 S HA 0.069 4.539 4.470 -0.000 0.000 0.257 148 S C 1.236 175.811 174.600 -0.042 0.000 1.265 148 S CA -0.604 57.632 58.200 0.060 0.000 0.980 148 S CB 0.973 64.293 63.200 0.200 0.000 1.017 148 S HN 0.288 nan 8.310 nan 0.000 0.577 149 V N 0.448 120.225 119.914 -0.229 0.000 2.407 149 V HA -0.085 4.035 4.120 -0.000 0.000 0.248 149 V C 1.855 177.678 176.094 -0.452 0.000 1.055 149 V CA 1.865 63.935 62.300 -0.383 0.000 1.049 149 V CB -1.201 30.355 31.823 -0.445 0.000 0.662 149 V HN 0.776 nan 8.190 nan 0.000 0.455 150 F N -0.689 119.211 119.950 -0.083 0.000 2.102 150 F HA -0.111 4.416 4.527 0.000 0.000 0.298 150 F C 2.282 177.843 175.800 -0.398 0.000 1.105 150 F CA 2.099 59.924 58.000 -0.291 0.000 1.239 150 F CB -1.378 37.163 39.000 -0.765 0.000 0.991 150 F HN 0.256 nan 8.300 nan 0.000 0.474 151 Y N 1.197 121.336 120.300 -0.268 0.000 2.181 151 Y HA -0.201 4.349 4.550 -0.000 0.000 0.288 151 Y C 2.528 178.435 175.900 0.013 0.000 1.146 151 Y CA 1.555 59.671 58.100 0.027 0.000 1.164 151 Y CB -0.303 38.241 38.460 0.140 0.000 0.982 151 Y HN -0.102 nan 8.280 nan 0.000 0.515 152 R N -0.549 120.015 120.500 0.107 0.000 2.066 152 R HA -0.157 4.183 4.340 -0.000 0.000 0.232 152 R C 2.253 178.468 176.300 -0.142 0.000 1.131 152 R CA 1.458 57.562 56.100 0.007 0.000 0.955 152 R CB -0.337 29.930 30.300 -0.055 0.000 0.851 152 R HN 0.381 nan 8.270 nan 0.000 0.432 153 Q N -0.326 119.296 119.800 -0.296 0.000 2.167 153 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 153 Q C 1.718 177.556 176.000 -0.270 0.000 0.970 153 Q CA 1.365 56.895 55.803 -0.454 0.000 0.855 153 Q CB 0.035 28.081 28.738 -1.154 0.000 0.911 153 Q HN 0.303 nan 8.270 nan 0.000 0.438 154 F N -0.469 119.335 119.950 -0.244 0.000 2.743 154 F HA 0.181 4.708 4.527 0.000 0.000 0.297 154 F C 1.503 177.182 175.800 -0.201 0.000 1.131 154 F CA 0.735 58.638 58.000 -0.162 0.000 1.426 154 F CB 0.176 39.129 39.000 -0.079 0.000 1.116 154 F HN 0.179 nan 8.300 nan 0.000 0.583 155 G N 0.425 109.161 108.800 -0.107 0.000 2.176 155 G HA2 0.081 4.041 3.960 -0.000 0.000 0.252 155 G HA3 0.081 4.041 3.960 -0.000 0.000 0.252 155 G C 0.503 175.193 174.900 -0.351 0.000 1.024 155 G CA 0.160 45.153 45.100 -0.177 0.000 0.755 155 G HN 1.002 nan 8.290 nan 0.000 0.507 156 G N -1.792 106.558 108.800 -0.749 0.000 2.345 156 G HA2 0.595 4.555 3.960 -0.000 0.000 0.285 156 G HA3 0.595 4.555 3.960 -0.000 0.000 0.285 156 G C -2.331 172.107 174.900 -0.770 0.000 1.297 156 G CA 0.303 44.795 45.100 -1.014 0.000 0.875 156 G HN 0.404 nan 8.290 nan 0.000 0.506 157 P HA 0.170 nan 4.420 nan 0.000 0.249 157 P C 0.699 177.768 177.300 -0.384 0.000 1.229 157 P CA 0.566 63.386 63.100 -0.466 0.000 0.788 157 P CB 0.348 31.521 31.700 -0.879 0.000 1.072 158 E N -0.289 119.784 120.200 -0.211 0.000 2.401 158 E HA -0.186 4.164 4.350 -0.000 0.000 0.199 158 E C 1.662 178.130 176.600 -0.220 0.000 1.023 158 E CA 1.007 57.338 56.400 -0.114 0.000 0.859 158 E CB -1.186 28.547 29.700 0.055 0.000 0.780 158 E HN 0.558 nan 8.360 nan 0.000 0.523 159 Y N -1.083 118.881 120.300 -0.560 0.000 2.352 159 Y HA -0.013 4.537 4.550 0.000 0.000 0.292 159 Y C 1.702 177.457 175.900 -0.242 0.000 1.136 159 Y CA 0.620 58.111 58.100 -1.016 0.000 1.227 159 Y CB -0.450 37.230 38.460 -1.302 0.000 0.991 159 Y HN -0.024 nan 8.280 nan 0.000 0.545 160 I N 1.083 121.221 120.570 -0.720 0.000 2.233 160 I HA -0.221 3.949 4.170 -0.000 0.000 0.243 160 I C 1.661 177.825 176.117 0.078 0.000 1.093 160 I CA 1.653 62.767 61.300 -0.309 0.000 1.380 160 I CB -0.482 37.322 38.000 -0.326 0.000 1.067 160 I HN 0.163 nan 8.210 nan 0.000 0.413 161 D N 0.851 121.245 120.400 -0.009 0.000 2.104 161 D HA -0.263 4.377 4.640 -0.000 0.000 0.194 161 D C 2.012 178.399 176.300 0.145 0.000 0.994 161 D CA 1.431 55.475 54.000 0.073 0.000 0.830 161 D CB -0.248 40.563 40.800 0.018 0.000 0.959 161 D HN 0.395 nan 8.370 nan 0.000 0.452 162 E N 0.312 120.588 120.200 0.127 0.000 2.077 162 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 162 E C 2.023 178.754 176.600 0.219 0.000 0.989 162 E CA 1.107 57.633 56.400 0.211 0.000 0.800 162 E CB -0.098 29.797 29.700 0.325 0.000 0.746 162 E HN 0.237 nan 8.360 nan 0.000 0.452 163 A N 0.324 123.271 122.820 0.211 0.000 1.883 163 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 163 A C 1.947 179.486 177.584 -0.075 0.000 1.186 163 A CA 1.477 53.528 52.037 0.023 0.000 0.624 163 A CB -0.979 18.000 19.000 -0.035 0.000 0.822 163 A HN 0.372 nan 8.150 nan 0.000 0.444 164 F N -0.246 119.716 119.950 0.020 0.000 2.075 164 F HA -0.140 4.387 4.527 0.000 0.000 0.297 164 F C 2.646 178.450 175.800 0.007 0.000 1.113 164 F CA 1.942 59.949 58.000 0.012 0.000 1.218 164 F CB -0.330 38.680 39.000 0.017 0.000 0.984 164 F HN 0.090 nan 8.300 nan 0.000 0.472 165 R N -0.146 120.474 120.500 0.201 0.000 2.096 165 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 165 R C 2.274 178.618 176.300 0.072 0.000 1.127 165 R CA 1.294 57.467 56.100 0.121 0.000 0.968 165 R CB -0.315 30.049 30.300 0.108 0.000 0.861 165 R HN 0.303 nan 8.270 nan 0.000 0.440 166 R N 0.036 120.566 120.500 0.050 0.000 2.075 166 R HA 0.028 4.368 4.340 -0.000 0.000 0.226 166 R C 2.353 178.622 176.300 -0.051 0.000 1.114 166 R CA 1.068 57.170 56.100 0.002 0.000 0.972 166 R CB -0.284 30.013 30.300 -0.006 0.000 0.869 166 R HN 0.168 nan 8.270 nan 0.000 0.437 167 A N 1.562 124.324 122.820 -0.097 0.000 1.908 167 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 167 A C 2.157 179.716 177.584 -0.042 0.000 1.181 167 A CA 1.701 53.652 52.037 -0.143 0.000 0.627 167 A CB -0.410 18.447 19.000 -0.238 0.000 0.818 167 A HN 0.130 nan 8.150 nan 0.000 0.445 168 R N 0.199 120.711 120.500 0.019 0.000 2.081 168 R HA -0.032 4.308 4.340 -0.000 0.000 0.235 168 R C 2.098 178.417 176.300 0.031 0.000 1.131 168 R CA 2.046 58.177 56.100 0.051 0.000 0.960 168 R CB -0.854 29.492 30.300 0.077 0.000 0.856 168 R HN 0.384 nan 8.270 nan 0.000 0.436 169 A N -0.039 122.792 122.820 0.018 0.000 1.930 169 A HA 0.068 4.388 4.320 -0.000 0.000 0.217 169 A C 2.313 179.895 177.584 -0.004 0.000 1.175 169 A CA 1.535 53.578 52.037 0.010 0.000 0.627 169 A CB -0.843 18.163 19.000 0.010 0.000 0.815 169 A HN 0.488 nan 8.150 nan 0.000 0.443 170 A N -1.336 121.470 122.820 -0.022 0.000 1.970 170 A HA 0.120 4.440 4.320 -0.000 0.000 0.216 170 A C 0.840 178.415 177.584 -0.014 0.000 1.170 170 A CA 1.524 53.538 52.037 -0.038 0.000 0.645 170 A CB 0.001 18.953 19.000 -0.079 0.000 0.816 170 A HN 0.387 nan 8.150 nan 0.000 0.447 171 D N -2.207 118.200 120.400 0.012 0.000 2.381 171 D HA 0.314 4.954 4.640 -0.000 0.000 0.245 171 D C -2.605 173.734 176.300 0.065 0.000 1.297 171 D CA -1.516 52.515 54.000 0.050 0.000 0.931 171 D CB 1.085 41.949 40.800 0.106 0.000 1.334 171 D HN -0.081 nan 8.370 nan 0.000 0.535 172 P HA -0.031 nan 4.420 nan 0.000 0.231 172 P C 1.162 178.500 177.300 0.063 0.000 1.158 172 P CA 0.942 64.074 63.100 0.053 0.000 0.763 172 P CB 0.170 31.892 31.700 0.036 0.000 0.805 173 T N -4.497 110.099 114.554 0.070 0.000 3.057 173 T HA 0.323 4.673 4.350 -0.000 0.000 0.254 173 T C 0.946 175.704 174.700 0.096 0.000 1.094 173 T CA -0.113 62.030 62.100 0.071 0.000 1.088 173 T CB -0.394 68.509 68.868 0.059 0.000 0.934 173 T HN -0.002 nan 8.240 nan 0.000 0.497 174 A N 1.312 124.211 122.820 0.132 0.000 2.388 174 A HA 0.459 4.779 4.320 -0.000 0.000 0.257 174 A C 0.093 177.782 177.584 0.175 0.000 1.095 174 A CA -0.556 51.587 52.037 0.177 0.000 0.791 174 A CB 0.128 19.312 19.000 0.307 0.000 1.029 174 A HN 0.546 nan 8.150 nan 0.000 0.489 175 E N 1.820 122.134 120.200 0.190 0.000 2.152 175 E HA 0.408 4.758 4.350 -0.000 0.000 0.285 175 E C -1.130 175.608 176.600 0.229 0.000 1.043 175 E CA -0.166 56.340 56.400 0.177 0.000 0.839 175 E CB 0.342 30.191 29.700 0.249 0.000 1.069 175 E HN 0.581 nan 8.360 nan 0.000 0.399 176 L N 5.576 126.874 121.223 0.125 0.000 2.272 176 L HA 0.369 4.709 4.340 -0.000 0.000 0.289 176 L C -0.884 176.102 176.870 0.193 0.000 1.032 176 L CA -0.736 54.254 54.840 0.250 0.000 0.810 176 L CB 0.417 42.675 42.059 0.332 0.000 1.205 176 L HN 0.566 nan 8.230 nan 0.000 0.422 177 Y N 1.624 122.165 120.300 0.401 0.000 2.429 177 Y HA 0.325 4.875 4.550 -0.000 0.000 0.342 177 Y C -0.323 175.861 175.900 0.473 0.000 1.004 177 Y CA -0.582 57.755 58.100 0.394 0.000 1.075 177 Y CB 1.868 40.510 38.460 0.302 0.000 1.214 177 Y HN 0.353 nan 8.280 nan 0.000 0.455 178 Y N 3.403 124.025 120.300 0.536 0.000 2.327 178 Y HA 0.376 4.926 4.550 -0.000 0.000 0.336 178 Y C -0.729 175.317 175.900 0.243 0.000 1.035 178 Y CA -0.731 57.615 58.100 0.410 0.000 1.165 178 Y CB 0.514 39.135 38.460 0.268 0.000 1.181 178 Y HN 0.697 nan 8.280 nan 0.000 0.494 179 N N 4.179 122.448 118.700 -0.717 0.000 2.269 179 N HA 0.420 5.160 4.740 -0.000 0.000 0.304 179 N C -1.980 173.190 175.510 -0.566 0.000 1.072 179 N CA -0.379 52.402 53.050 -0.449 0.000 0.802 179 N CB 1.397 39.774 38.487 -0.183 0.000 1.348 179 N HN 0.759 nan 8.380 nan 0.000 0.484 180 D N 0.251 120.475 120.400 -0.293 0.000 2.692 180 D HA 0.363 5.003 4.640 -0.000 0.000 0.290 180 D C -1.476 174.841 176.300 0.028 0.000 1.281 180 D CA -0.312 53.624 54.000 -0.106 0.000 0.804 180 D CB 1.044 41.797 40.800 -0.079 0.000 1.331 180 D HN 0.320 nan 8.370 nan 0.000 0.432 181 F N 0.060 120.023 119.950 0.021 0.000 2.575 181 F HA 0.572 5.099 4.527 -0.000 0.000 0.330 181 F C 0.938 176.799 175.800 0.101 0.000 1.056 181 F CA -0.757 57.295 58.000 0.087 0.000 0.964 181 F CB 0.683 39.788 39.000 0.174 0.000 1.258 181 F HN 0.252 nan 8.300 nan 0.000 0.484 182 N N -1.074 117.756 118.700 0.217 0.000 2.900 182 N HA -0.219 4.521 4.740 -0.000 0.000 0.240 182 N C 0.958 176.505 175.510 0.062 0.000 0.953 182 N CA 1.680 54.806 53.050 0.125 0.000 0.950 182 N CB -1.695 36.819 38.487 0.045 0.000 1.102 182 N HN 0.989 nan 8.380 nan 0.000 0.593 183 T N -1.585 113.008 114.554 0.066 0.000 3.118 183 T HA -0.056 4.294 4.350 -0.000 0.000 0.260 183 T C 1.364 176.249 174.700 0.308 0.000 1.139 183 T CA 1.097 63.265 62.100 0.113 0.000 1.085 183 T CB 0.075 68.924 68.868 -0.032 0.000 0.934 183 T HN 0.443 nan 8.240 nan 0.000 0.518 184 E N 1.773 122.150 120.200 0.295 0.000 2.489 184 E HA -0.035 4.315 4.350 -0.000 0.000 0.193 184 E C 1.167 177.793 176.600 0.043 0.000 1.057 184 E CA 0.392 56.894 56.400 0.170 0.000 0.866 184 E CB -0.196 29.566 29.700 0.104 0.000 0.916 184 E HN 0.640 nan 8.360 nan 0.000 0.500 185 E N 0.832 121.063 120.200 0.051 0.000 2.481 185 E HA -0.036 4.314 4.350 -0.000 0.000 0.195 185 E C 0.054 176.658 176.600 0.006 0.000 1.047 185 E CA 0.141 56.535 56.400 -0.010 0.000 0.867 185 E CB -0.185 29.554 29.700 0.064 0.000 0.858 185 E HN 0.145 nan 8.360 nan 0.000 0.513 186 N N -0.277 118.445 118.700 0.037 0.000 2.747 186 N HA -0.147 4.593 4.740 -0.000 0.000 0.249 186 N C -0.270 175.261 175.510 0.035 0.000 1.107 186 N CA 0.824 53.894 53.050 0.034 0.000 0.707 186 N CB -1.055 37.437 38.487 0.008 0.000 1.054 186 N HN 0.318 nan 8.380 nan 0.000 0.555 187 G N -1.406 107.420 108.800 0.043 0.000 3.039 187 G HA2 0.666 4.626 3.960 -0.000 0.000 0.159 187 G HA3 0.666 4.626 3.960 -0.000 0.000 0.159 187 G C 1.051 175.969 174.900 0.031 0.000 1.284 187 G CA 0.159 45.284 45.100 0.043 0.000 0.996 187 G HN 0.425 nan 8.290 nan 0.000 0.592 188 A N -0.543 122.295 122.820 0.031 0.000 1.940 188 A HA -0.036 4.284 4.320 -0.000 0.000 0.219 188 A C 2.160 179.749 177.584 0.008 0.000 1.176 188 A CA 2.278 54.328 52.037 0.022 0.000 0.631 188 A CB -0.462 18.559 19.000 0.035 0.000 0.814 188 A HN 0.513 nan 8.150 nan 0.000 0.446 189 K N -1.036 119.366 120.400 0.003 0.000 2.103 189 K HA -0.093 4.227 4.320 -0.000 0.000 0.204 189 K C 2.002 178.589 176.600 -0.021 0.000 1.052 189 K CA 1.569 57.840 56.287 -0.027 0.000 0.945 189 K CB -0.219 32.243 32.500 -0.064 0.000 0.722 189 K HN 0.477 nan 8.250 nan 0.000 0.443 190 T N 0.377 114.939 114.554 0.013 0.000 2.720 190 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 190 T C 1.724 176.432 174.700 0.014 0.000 1.037 190 T CA 1.930 64.053 62.100 0.038 0.000 1.144 190 T CB -0.417 68.494 68.868 0.070 0.000 0.864 190 T HN 0.322 nan 8.240 nan 0.000 0.444 191 T N 1.978 116.535 114.554 0.004 0.000 2.720 191 T HA -0.049 4.301 4.350 -0.000 0.000 0.268 191 T C 2.385 177.061 174.700 -0.041 0.000 1.037 191 T CA 1.188 63.281 62.100 -0.010 0.000 1.144 191 T CB -0.528 68.337 68.868 -0.006 0.000 0.864 191 T HN 0.450 nan 8.240 nan 0.000 0.444 192 A N 1.113 123.895 122.820 -0.062 0.000 1.930 192 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 192 A C 2.230 179.722 177.584 -0.154 0.000 1.175 192 A CA 1.146 53.107 52.037 -0.126 0.000 0.627 192 A CB -0.715 18.198 19.000 -0.144 0.000 0.815 192 A HN 0.421 nan 8.150 nan 0.000 0.443 193 L N -0.048 121.113 121.223 -0.102 0.000 2.017 193 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 193 L C 2.339 179.155 176.870 -0.090 0.000 1.073 193 L CA 1.917 56.696 54.840 -0.102 0.000 0.745 193 L CB -0.560 41.469 42.059 -0.050 0.000 0.894 193 L HN 0.136 nan 8.230 nan 0.000 0.432 194 V N 0.428 120.315 119.914 -0.045 0.000 2.287 194 V HA -0.365 3.755 4.120 -0.000 0.000 0.248 194 V C 2.247 178.310 176.094 -0.052 0.000 1.053 194 V CA 2.470 64.753 62.300 -0.030 0.000 1.027 194 V CB -0.997 30.822 31.823 -0.007 0.000 0.646 194 V HN 0.596 nan 8.190 nan 0.000 0.447 195 N N -0.206 118.454 118.700 -0.066 0.000 2.188 195 N HA -0.129 4.611 4.740 -0.000 0.000 0.184 195 N C 1.888 177.358 175.510 -0.065 0.000 1.018 195 N CA 1.137 54.152 53.050 -0.058 0.000 0.858 195 N CB -0.157 38.293 38.487 -0.062 0.000 0.989 195 N HN 0.435 nan 8.380 nan 0.000 0.426 196 L N 0.963 122.111 121.223 -0.126 0.000 2.012 196 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 196 L C 1.932 178.718 176.870 -0.141 0.000 1.073 196 L CA 1.195 55.960 54.840 -0.125 0.000 0.748 196 L CB -0.177 41.712 42.059 -0.283 0.000 0.891 196 L HN -0.003 nan 8.230 nan 0.000 0.431 197 V N -0.382 119.438 119.914 -0.157 0.000 2.358 197 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 197 V C 2.462 178.496 176.094 -0.100 0.000 1.047 197 V CA 1.835 64.050 62.300 -0.142 0.000 1.035 197 V CB -0.522 31.244 31.823 -0.096 0.000 0.658 197 V HN 0.531 nan 8.190 nan 0.000 0.452 198 Q N 0.627 120.386 119.800 -0.068 0.000 2.124 198 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 198 Q C 2.302 178.274 176.000 -0.046 0.000 0.977 198 Q CA 2.000 57.774 55.803 -0.048 0.000 0.850 198 Q CB -0.435 28.285 28.738 -0.031 0.000 0.901 198 Q HN 0.579 nan 8.270 nan 0.000 0.429 199 R N -0.565 119.912 120.500 -0.040 0.000 2.073 199 R HA -0.117 4.223 4.340 -0.000 0.000 0.234 199 R C 2.125 178.392 176.300 -0.056 0.000 1.134 199 R CA 1.523 57.607 56.100 -0.027 0.000 0.952 199 R CB -0.336 29.971 30.300 0.013 0.000 0.850 199 R HN 0.372 nan 8.270 nan 0.000 0.433 200 L N 0.654 121.819 121.223 -0.096 0.000 2.046 200 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 200 L C 2.498 179.297 176.870 -0.118 0.000 1.077 200 L CA 1.144 55.901 54.840 -0.139 0.000 0.747 200 L CB -0.459 41.452 42.059 -0.246 0.000 0.896 200 L HN 0.276 nan 8.230 nan 0.000 0.432 201 L N -0.311 120.850 121.223 -0.103 0.000 2.046 201 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 201 L C 2.351 179.190 176.870 -0.053 0.000 1.077 201 L CA 1.006 55.799 54.840 -0.078 0.000 0.747 201 L CB -0.677 41.344 42.059 -0.064 0.000 0.896 201 L HN 0.346 nan 8.230 nan 0.000 0.432 202 N N 0.246 118.919 118.700 -0.044 0.000 2.166 202 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 202 N C 1.442 176.936 175.510 -0.027 0.000 1.019 202 N CA 1.079 54.112 53.050 -0.029 0.000 0.856 202 N CB -0.422 38.052 38.487 -0.022 0.000 0.993 202 N HN 0.301 nan 8.380 nan 0.000 0.426 203 N N 0.038 118.718 118.700 -0.034 0.000 2.461 203 N HA 0.065 4.805 4.740 -0.000 0.000 0.188 203 N C 0.731 176.226 175.510 -0.025 0.000 1.134 203 N CA 0.664 53.698 53.050 -0.026 0.000 0.878 203 N CB -0.019 38.450 38.487 -0.029 0.000 0.972 203 N HN 0.297 nan 8.380 nan 0.000 0.456 204 G N 0.042 108.821 108.800 -0.034 0.000 2.221 204 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.265 204 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.265 204 G C -0.078 174.803 174.900 -0.032 0.000 1.041 204 G CA 0.192 45.275 45.100 -0.029 0.000 0.807 204 G HN 0.190 nan 8.290 nan 0.000 0.502 205 V N 1.677 121.555 119.914 -0.059 0.000 2.614 205 V HA 0.335 4.455 4.120 -0.000 0.000 0.291 205 V C -0.836 175.204 176.094 -0.089 0.000 1.049 205 V CA -0.706 61.554 62.300 -0.066 0.000 1.038 205 V CB 1.382 33.128 31.823 -0.129 0.000 0.980 205 V HN 0.264 nan 8.190 nan 0.000 0.481 206 P HA 0.208 nan 4.420 nan 0.000 0.230 206 P C -0.346 176.960 177.300 0.010 0.000 1.791 206 P CA 0.225 63.332 63.100 0.012 0.000 1.020 206 P CB -0.003 31.744 31.700 0.079 0.000 1.977 207 I N 0.869 121.322 120.570 -0.195 0.000 2.353 207 I HA 0.187 4.357 4.170 -0.000 0.000 0.293 207 I C 0.447 176.485 176.117 -0.132 0.000 0.992 207 I CA -0.347 60.781 61.300 -0.286 0.000 1.268 207 I CB 1.313 38.921 38.000 -0.654 0.000 1.387 207 I HN -0.095 nan 8.210 nan 0.000 0.478 208 D N 5.663 126.000 120.400 -0.106 0.000 2.388 208 D HA 0.267 4.907 4.640 -0.000 0.000 0.208 208 D C 0.489 176.628 176.300 -0.268 0.000 1.035 208 D CA 0.410 54.315 54.000 -0.160 0.000 0.875 208 D CB 1.100 41.814 40.800 -0.144 0.000 0.984 208 D HN 0.699 nan 8.370 nan 0.000 0.508 209 G N -0.392 108.182 108.800 -0.375 0.000 2.506 209 G HA2 0.437 4.397 3.960 -0.000 0.000 0.292 209 G HA3 0.437 4.397 3.960 -0.000 0.000 0.292 209 G C -1.853 173.086 174.900 0.064 0.000 1.425 209 G CA -0.479 44.462 45.100 -0.264 0.000 0.788 209 G HN -0.082 nan 8.290 nan 0.000 0.490 210 V N 0.080 120.185 119.914 0.317 0.000 2.487 210 V HA 0.772 4.892 4.120 -0.000 0.000 0.298 210 V C 0.720 177.040 176.094 0.376 0.000 1.028 210 V CA -0.076 62.424 62.300 0.334 0.000 0.860 210 V CB 1.613 33.549 31.823 0.187 0.000 0.991 210 V HN 1.206 nan 8.190 nan 0.000 0.427 211 G N 3.138 112.070 108.800 0.220 0.000 2.348 211 G HA2 0.638 4.598 3.960 -0.000 0.000 0.312 211 G HA3 0.638 4.598 3.960 -0.000 0.000 0.312 211 G C -1.204 173.628 174.900 -0.112 0.000 1.126 211 G CA -0.261 44.876 45.100 0.062 0.000 0.865 211 G HN 0.411 nan 8.290 nan 0.000 0.474 212 F N 0.912 120.850 119.950 -0.019 0.000 2.388 212 F HA 0.298 4.825 4.527 0.000 0.000 0.358 212 F C 1.656 177.386 175.800 -0.117 0.000 1.122 212 F CA -0.559 57.424 58.000 -0.029 0.000 1.056 212 F CB 2.226 41.223 39.000 -0.005 0.000 1.155 212 F HN 0.546 nan 8.300 nan 0.000 0.461 213 Q N 2.940 122.732 119.800 -0.013 0.000 2.084 213 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 213 Q C 0.424 176.240 176.000 -0.306 0.000 0.978 213 Q CA 1.052 56.722 55.803 -0.222 0.000 0.844 213 Q CB -0.030 28.614 28.738 -0.157 0.000 0.898 213 Q HN 0.585 nan 8.270 nan 0.000 0.426 214 M N 0.094 119.645 119.600 -0.081 0.000 2.298 214 M HA -0.180 4.300 4.480 -0.000 0.000 0.196 214 M C -1.343 174.874 176.300 -0.138 0.000 0.531 214 M CA 0.903 56.162 55.300 -0.069 0.000 0.459 214 M CB -2.706 29.844 32.600 -0.084 0.000 1.279 214 M HN 0.313 nan 8.290 nan 0.000 0.915 215 H N -0.599 118.537 119.070 0.109 0.000 2.982 215 H HA 0.491 5.047 4.556 0.000 0.000 0.261 215 H C 0.675 176.064 175.328 0.101 0.000 1.603 215 H CA -0.352 55.775 56.048 0.132 0.000 1.398 215 H CB 0.283 30.180 29.762 0.224 0.000 1.693 215 H HN 0.428 nan 8.280 nan 0.000 0.535 216 V N -0.206 119.779 119.914 0.119 0.000 3.096 216 V HA 0.502 4.622 4.120 -0.000 0.000 0.319 216 V C 0.214 176.351 176.094 0.071 0.000 1.082 216 V CA -1.142 61.208 62.300 0.084 0.000 1.022 216 V CB 1.885 33.705 31.823 -0.005 0.000 1.103 216 V HN 0.344 nan 8.190 nan 0.000 0.455 217 M N 1.407 121.070 119.600 0.104 0.000 2.613 217 M HA 0.482 4.962 4.480 -0.000 0.000 0.301 217 M C 0.874 177.221 176.300 0.078 0.000 1.205 217 M CA -0.738 54.626 55.300 0.106 0.000 0.950 217 M CB 0.531 33.238 32.600 0.178 0.000 1.585 217 M HN 0.755 nan 8.290 nan 0.000 0.490 218 N N 1.649 120.403 118.700 0.091 0.000 2.137 218 N HA -0.167 4.573 4.740 -0.000 0.000 0.190 218 N C 0.710 176.263 175.510 0.072 0.000 1.017 218 N CA 1.614 54.710 53.050 0.077 0.000 0.859 218 N CB 0.011 38.563 38.487 0.109 0.000 1.002 218 N HN 0.685 nan 8.380 nan 0.000 0.428 219 D N -3.263 117.202 120.400 0.108 0.000 2.503 219 D HA -0.013 4.627 4.640 -0.000 0.000 0.218 219 D C -0.533 175.875 176.300 0.180 0.000 1.183 219 D CA -0.313 53.757 54.000 0.117 0.000 0.827 219 D CB -0.115 40.757 40.800 0.121 0.000 1.034 219 D HN 0.188 nan 8.370 nan 0.000 0.510 220 Y N 0.651 120.978 120.300 0.044 0.000 2.474 220 Y HA 0.372 4.922 4.550 0.000 0.000 0.326 220 Y C -2.936 172.994 175.900 0.050 0.000 1.160 220 Y CA -1.429 56.701 58.100 0.050 0.000 1.056 220 Y CB 2.186 40.688 38.460 0.071 0.000 1.330 220 Y HN -0.280 nan 8.280 nan 0.000 0.447 221 P HA 0.193 nan 4.420 nan 0.000 0.277 221 P C -0.689 176.383 177.300 -0.380 0.000 1.271 221 P CA -0.306 62.174 63.100 -1.033 0.000 0.795 221 P CB 0.845 32.073 31.700 -0.786 0.000 1.101 222 S N -0.154 115.389 115.700 -0.263 0.000 2.572 222 S HA 0.020 4.490 4.470 -0.000 0.000 0.279 222 S C 1.302 175.840 174.600 -0.103 0.000 1.341 222 S CA -0.383 57.748 58.200 -0.114 0.000 1.043 222 S CB -0.274 62.890 63.200 -0.061 0.000 0.887 222 S HN 0.357 nan 8.310 nan 0.000 0.516 223 I N 2.594 123.125 120.570 -0.066 0.000 2.361 223 I HA -0.055 4.115 4.170 -0.000 0.000 0.251 223 I C 2.381 178.464 176.117 -0.057 0.000 1.133 223 I CA 1.646 62.910 61.300 -0.060 0.000 1.413 223 I CB -1.260 36.716 38.000 -0.040 0.000 1.073 223 I HN 0.902 nan 8.210 nan 0.000 0.424 224 A N 0.366 123.158 122.820 -0.046 0.000 1.908 224 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 224 A C 2.153 179.708 177.584 -0.049 0.000 1.181 224 A CA 2.081 54.094 52.037 -0.040 0.000 0.627 224 A CB -0.884 18.100 19.000 -0.027 0.000 0.818 224 A HN 0.538 nan 8.150 nan 0.000 0.445 225 N N -0.030 118.634 118.700 -0.060 0.000 2.188 225 N HA -0.069 4.671 4.740 -0.000 0.000 0.184 225 N C 1.679 177.146 175.510 -0.073 0.000 1.018 225 N CA 1.440 54.453 53.050 -0.062 0.000 0.858 225 N CB -0.403 38.036 38.487 -0.079 0.000 0.989 225 N HN 0.582 nan 8.380 nan 0.000 0.426 226 I N 0.797 121.309 120.570 -0.096 0.000 2.179 226 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 226 I C 2.647 178.682 176.117 -0.138 0.000 1.088 226 I CA 0.890 62.120 61.300 -0.117 0.000 1.357 226 I CB -0.160 37.769 38.000 -0.117 0.000 1.051 226 I HN 0.092 nan 8.210 nan 0.000 0.409 227 R N 0.744 121.182 120.500 -0.103 0.000 2.075 227 R HA -0.189 4.151 4.340 -0.000 0.000 0.232 227 R C 2.306 178.552 176.300 -0.090 0.000 1.126 227 R CA 1.514 57.556 56.100 -0.097 0.000 0.963 227 R CB -0.090 30.170 30.300 -0.066 0.000 0.858 227 R HN 0.429 nan 8.270 nan 0.000 0.435 228 Q N -0.474 119.288 119.800 -0.064 0.000 2.084 228 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 228 Q C 2.101 178.083 176.000 -0.030 0.000 0.978 228 Q CA 1.570 57.348 55.803 -0.041 0.000 0.844 228 Q CB -0.069 28.655 28.738 -0.024 0.000 0.898 228 Q HN 0.411 nan 8.270 nan 0.000 0.426 229 A N 0.789 123.588 122.820 -0.035 0.000 1.877 229 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 229 A C 2.053 179.636 177.584 -0.001 0.000 1.186 229 A CA 1.441 53.494 52.037 0.027 0.000 0.620 229 A CB -0.490 18.555 19.000 0.074 0.000 0.822 229 A HN 0.293 nan 8.150 nan 0.000 0.443 230 M N -1.253 118.211 119.600 -0.227 0.000 2.175 230 M HA -0.196 4.284 4.480 -0.000 0.000 0.264 230 M C 2.506 178.763 176.300 -0.071 0.000 1.063 230 M CA 1.895 57.034 55.300 -0.269 0.000 1.119 230 M CB -0.369 32.000 32.600 -0.386 0.000 1.377 230 M HN 0.640 nan 8.290 nan 0.000 0.415 231 Q N 0.916 120.675 119.800 -0.069 0.000 2.167 231 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 231 Q C 1.739 177.736 176.000 -0.006 0.000 0.970 231 Q CA 1.388 57.165 55.803 -0.042 0.000 0.855 231 Q CB 0.143 28.853 28.738 -0.047 0.000 0.911 231 Q HN 0.444 nan 8.270 nan 0.000 0.438 232 K N -0.020 120.390 120.400 0.018 0.000 2.097 232 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 232 K C 1.934 178.566 176.600 0.053 0.000 1.049 232 K CA 1.063 57.371 56.287 0.035 0.000 0.933 232 K CB 0.080 32.609 32.500 0.048 0.000 0.717 232 K HN 0.262 nan 8.250 nan 0.000 0.442 233 I N 0.554 121.184 120.570 0.099 0.000 2.406 233 I HA -0.158 4.012 4.170 -0.000 0.000 0.249 233 I C 2.249 178.409 176.117 0.070 0.000 1.122 233 I CA 0.959 62.328 61.300 0.115 0.000 1.431 233 I CB -0.891 37.254 38.000 0.241 0.000 1.087 233 I HN -0.102 nan 8.210 nan 0.000 0.424 234 V N 1.795 121.738 119.914 0.049 0.000 2.324 234 V HA -0.274 3.846 4.120 -0.000 0.000 0.250 234 V C 2.759 178.854 176.094 0.002 0.000 1.060 234 V CA 1.902 64.209 62.300 0.011 0.000 1.042 234 V CB -1.131 30.677 31.823 -0.026 0.000 0.650 234 V HN 0.472 nan 8.190 nan 0.000 0.450 235 A N -0.686 122.136 122.820 0.003 0.000 2.172 235 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 235 A C 2.095 179.678 177.584 -0.001 0.000 1.154 235 A CA 1.098 53.134 52.037 -0.002 0.000 0.701 235 A CB -0.463 18.537 19.000 -0.002 0.000 0.789 235 A HN 0.559 nan 8.150 nan 0.000 0.465 236 L N -1.013 120.212 121.223 0.004 0.000 2.291 236 L HA 0.039 4.379 4.340 -0.000 0.000 0.214 236 L C 1.137 178.001 176.870 -0.010 0.000 1.120 236 L CA 0.857 55.695 54.840 -0.003 0.000 0.799 236 L CB -0.110 41.947 42.059 -0.003 0.000 0.925 236 L HN 0.445 nan 8.230 nan 0.000 0.446 237 S N -1.612 114.083 115.700 -0.009 0.000 2.550 237 S HA 0.398 4.868 4.470 -0.000 0.000 0.270 237 S C -2.245 172.348 174.600 -0.011 0.000 1.145 237 S CA -0.987 57.206 58.200 -0.013 0.000 0.852 237 S CB 1.806 64.996 63.200 -0.018 0.000 1.119 237 S HN -0.194 nan 8.310 nan 0.000 0.465 238 P HA 0.115 nan 4.420 nan 0.000 0.236 238 P C 0.887 178.181 177.300 -0.010 0.000 1.177 238 P CA 1.017 64.111 63.100 -0.011 0.000 0.773 238 P CB -0.067 31.628 31.700 -0.009 0.000 0.878 239 T N -4.872 109.676 114.554 -0.010 0.000 2.993 239 T HA 0.162 4.512 4.350 -0.000 0.000 0.260 239 T C 0.515 175.211 174.700 -0.006 0.000 0.939 239 T CA -0.302 61.794 62.100 -0.007 0.000 0.886 239 T CB -0.749 68.115 68.868 -0.006 0.000 1.209 239 T HN -0.120 nan 8.240 nan 0.000 0.518 240 L N 3.147 124.364 121.223 -0.010 0.000 2.578 240 L HA 0.254 4.594 4.340 -0.000 0.000 0.279 240 L C 0.199 177.081 176.870 0.020 0.000 1.227 240 L CA 0.412 55.247 54.840 -0.009 0.000 0.900 240 L CB 0.040 42.097 42.059 -0.003 0.000 1.144 240 L HN 0.145 nan 8.230 nan 0.000 0.496 241 K N 5.357 125.776 120.400 0.032 0.000 2.098 241 K HA 0.481 4.801 4.320 -0.000 0.000 0.257 241 K C -0.781 175.947 176.600 0.214 0.000 0.999 241 K CA -0.819 55.532 56.287 0.108 0.000 0.924 241 K CB 1.174 33.771 32.500 0.162 0.000 1.028 241 K HN 0.450 nan 8.250 nan 0.000 0.466 242 I N 2.107 122.814 120.570 0.229 0.000 2.465 242 I HA 0.322 4.492 4.170 -0.000 0.000 0.291 242 I C -0.329 176.022 176.117 0.389 0.000 1.014 242 I CA -0.616 60.880 61.300 0.328 0.000 1.093 242 I CB 1.484 39.609 38.000 0.208 0.000 1.267 242 I HN 0.553 nan 8.210 nan 0.000 0.431 243 K N 6.328 126.934 120.400 0.344 0.000 2.443 243 K HA 0.629 4.949 4.320 -0.000 0.000 0.252 243 K C -1.284 175.331 176.600 0.026 0.000 0.933 243 K CA -0.571 55.761 56.287 0.074 0.000 0.792 243 K CB 2.162 34.469 32.500 -0.321 0.000 1.185 243 K HN 0.511 nan 8.250 nan 0.000 0.425 244 I N 4.319 124.803 120.570 -0.144 0.000 2.312 244 I HA 0.083 4.253 4.170 -0.000 0.000 0.291 244 I C 1.202 177.200 176.117 -0.198 0.000 1.031 244 I CA -0.210 60.998 61.300 -0.154 0.000 1.293 244 I CB 1.605 39.444 38.000 -0.268 0.000 1.403 244 I HN 0.848 nan 8.210 nan 0.000 0.484 245 T N 0.798 115.229 114.554 -0.206 0.000 3.023 245 T HA 0.188 4.538 4.350 -0.000 0.000 0.249 245 T C 0.753 175.316 174.700 -0.228 0.000 1.050 245 T CA 0.172 62.102 62.100 -0.282 0.000 1.088 245 T CB 0.147 68.810 68.868 -0.343 0.000 0.946 245 T HN 0.608 nan 8.240 nan 0.000 0.480 246 E N 0.970 120.989 120.200 -0.302 0.000 3.918 246 E HA 0.300 4.650 4.350 -0.000 0.000 0.183 246 E C -1.087 175.338 176.600 -0.292 0.000 1.021 246 E CA -0.479 55.694 56.400 -0.377 0.000 1.431 246 E CB 0.670 29.699 29.700 -1.119 0.000 1.140 246 E HN 0.202 nan 8.360 nan 0.000 0.435 247 L N 2.961 124.136 121.223 -0.079 0.000 2.499 247 L HA 0.142 4.482 4.340 -0.000 0.000 0.273 247 L C -0.553 176.412 176.870 0.158 0.000 1.195 247 L CA 0.703 55.527 54.840 -0.025 0.000 0.882 247 L CB 0.087 42.169 42.059 0.038 0.000 1.133 247 L HN 0.165 nan 8.230 nan 0.000 0.483 248 D N 3.090 123.568 120.400 0.130 0.000 2.609 248 D HA 0.521 5.161 4.640 -0.000 0.000 0.239 248 D C -1.473 174.874 176.300 0.078 0.000 1.229 248 D CA -0.574 53.571 54.000 0.241 0.000 0.808 248 D CB 1.538 42.588 40.800 0.415 0.000 1.448 248 D HN 0.217 nan 8.370 nan 0.000 0.433 249 V N 0.637 120.600 119.914 0.081 0.000 2.462 249 V HA 0.428 4.548 4.120 -0.000 0.000 0.288 249 V C -0.219 175.935 176.094 0.100 0.000 1.020 249 V CA -0.786 61.507 62.300 -0.012 0.000 0.857 249 V CB 1.224 32.917 31.823 -0.216 0.000 1.013 249 V HN 0.423 nan 8.190 nan 0.000 0.431 250 R N 3.077 123.613 120.500 0.061 0.000 2.298 250 R HA 0.340 4.680 4.340 -0.000 0.000 0.310 250 R C 0.608 177.010 176.300 0.170 0.000 1.068 250 R CA -0.563 55.589 56.100 0.088 0.000 0.957 250 R CB 1.059 31.308 30.300 -0.085 0.000 1.003 250 R HN 0.526 nan 8.270 nan 0.000 0.454 251 L N 1.768 123.154 121.223 0.273 0.000 2.109 251 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 251 L C 0.458 177.509 176.870 0.302 0.000 1.086 251 L CA 1.531 56.553 54.840 0.305 0.000 0.760 251 L CB -0.386 41.908 42.059 0.392 0.000 0.910 251 L HN 0.512 nan 8.230 nan 0.000 0.437 252 N N 0.589 119.477 118.700 0.314 0.000 2.438 252 N HA 0.115 4.855 4.740 -0.000 0.000 0.282 252 N C -0.539 175.077 175.510 0.177 0.000 1.037 252 N CA -0.123 53.063 53.050 0.228 0.000 0.942 252 N CB 0.851 39.444 38.487 0.177 0.000 1.136 252 N HN -0.038 nan 8.380 nan 0.000 0.481 253 N N 3.040 121.788 118.700 0.079 0.000 2.626 253 N HA 0.320 5.060 4.740 -0.000 0.000 0.242 253 N C -2.179 173.273 175.510 -0.097 0.000 1.005 253 N CA -2.038 51.024 53.050 0.020 0.000 0.905 253 N CB 1.415 39.939 38.487 0.060 0.000 1.128 253 N HN 0.212 nan 8.380 nan 0.000 0.512 254 P HA 0.035 nan 4.420 nan 0.000 0.237 254 P C -0.003 177.070 177.300 -0.377 0.000 1.178 254 P CA 0.777 63.641 63.100 -0.393 0.000 0.766 254 P CB 0.017 31.372 31.700 -0.575 0.000 0.876 255 Y N -0.026 120.262 120.300 -0.020 0.000 2.467 255 Y HA 0.086 4.636 4.550 -0.000 0.000 0.250 255 Y C 1.328 177.181 175.900 -0.080 0.000 1.155 255 Y CA -0.517 57.550 58.100 -0.055 0.000 1.249 255 Y CB -0.686 37.723 38.460 -0.084 0.000 1.146 255 Y HN 0.028 nan 8.280 nan 0.000 0.524 256 D N -1.495 118.929 120.400 0.040 0.000 2.328 256 D HA 0.139 4.779 4.640 -0.000 0.000 0.226 256 D C 1.909 178.213 176.300 0.007 0.000 1.066 256 D CA 0.630 54.634 54.000 0.008 0.000 0.861 256 D CB -0.246 40.558 40.800 0.007 0.000 0.912 256 D HN 0.244 nan 8.370 nan 0.000 0.521 257 G N 0.460 109.267 108.800 0.013 0.000 2.155 257 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.257 257 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.257 257 G C 0.040 174.937 174.900 -0.004 0.000 0.983 257 G CA 0.229 45.333 45.100 0.007 0.000 0.676 257 G HN 0.619 nan 8.290 nan 0.000 0.528 258 N N -0.012 118.680 118.700 -0.013 0.000 2.576 258 N HA 0.470 5.210 4.740 -0.000 0.000 0.269 258 N C 0.957 176.446 175.510 -0.035 0.000 1.058 258 N CA 0.145 53.183 53.050 -0.021 0.000 0.860 258 N CB 1.203 39.678 38.487 -0.019 0.000 1.249 258 N HN 0.272 nan 8.380 nan 0.000 0.525 259 S N 0.653 116.330 115.700 -0.038 0.000 2.575 259 S HA 0.072 4.542 4.470 -0.000 0.000 0.215 259 S C 1.293 175.860 174.600 -0.055 0.000 0.966 259 S CA -0.085 58.085 58.200 -0.050 0.000 0.911 259 S CB 0.134 63.307 63.200 -0.044 0.000 0.780 259 S HN 0.292 nan 8.310 nan 0.000 0.514 260 S N 3.244 118.912 115.700 -0.052 0.000 2.453 260 S HA 0.004 4.474 4.470 -0.000 0.000 0.231 260 S C 1.476 176.027 174.600 -0.082 0.000 1.005 260 S CA 1.051 59.218 58.200 -0.056 0.000 0.949 260 S CB -0.259 62.914 63.200 -0.045 0.000 0.774 260 S HN 0.902 nan 8.310 nan 0.000 0.510 261 N N 0.783 119.420 118.700 -0.104 0.000 2.235 261 N HA 0.081 4.821 4.740 -0.000 0.000 0.231 261 N C -0.599 174.758 175.510 -0.255 0.000 1.177 261 N CA -0.142 52.812 53.050 -0.159 0.000 0.874 261 N CB 0.070 38.486 38.487 -0.119 0.000 1.097 261 N HN 0.106 nan 8.380 nan 0.000 0.518 262 E N 0.538 120.621 120.200 -0.194 0.000 2.319 262 E HA 0.137 4.487 4.350 -0.000 0.000 0.268 262 E C -0.754 175.730 176.600 -0.193 0.000 1.050 262 E CA -0.401 55.901 56.400 -0.163 0.000 0.878 262 E CB 0.860 30.517 29.700 -0.071 0.000 1.066 262 E HN 0.237 nan 8.360 nan 0.000 0.406 263 Y N 0.811 121.159 120.300 0.081 0.000 2.535 263 Y HA 0.073 4.623 4.550 -0.000 0.000 0.349 263 Y C 1.559 177.544 175.900 0.142 0.000 0.992 263 Y CA -0.285 57.892 58.100 0.128 0.000 1.248 263 Y CB 0.626 39.208 38.460 0.202 0.000 1.124 263 Y HN 0.390 nan 8.280 nan 0.000 0.520 264 T N -1.962 112.707 114.554 0.192 0.000 3.086 264 T HA 0.097 4.447 4.350 -0.000 0.000 0.250 264 T C 0.340 175.090 174.700 0.084 0.000 1.074 264 T CA -0.193 61.959 62.100 0.086 0.000 0.988 264 T CB 0.052 68.934 68.868 0.022 0.000 0.988 264 T HN 0.408 nan 8.240 nan 0.000 0.530 265 N N 0.917 119.716 118.700 0.164 0.000 2.321 265 N HA 0.318 5.058 4.740 -0.000 0.000 0.299 265 N C 0.754 176.406 175.510 0.236 0.000 1.048 265 N CA -0.501 52.629 53.050 0.134 0.000 0.836 265 N CB 2.048 40.601 38.487 0.110 0.000 1.269 265 N HN -0.092 nan 8.380 nan 0.000 0.486 266 R N 2.819 123.406 120.500 0.144 0.000 2.170 266 R HA -0.017 4.323 4.340 -0.000 0.000 0.242 266 R C 0.773 177.287 176.300 0.357 0.000 1.145 266 R CA 1.625 57.844 56.100 0.199 0.000 0.984 266 R CB -0.362 29.961 30.300 0.039 0.000 0.869 266 R HN 0.590 nan 8.270 nan 0.000 0.455 267 N N 0.625 119.447 118.700 0.202 0.000 2.459 267 N HA -0.093 4.647 4.740 -0.000 0.000 0.181 267 N C 0.632 176.166 175.510 0.041 0.000 1.046 267 N CA 1.027 54.150 53.050 0.120 0.000 0.904 267 N CB -0.120 38.410 38.487 0.071 0.000 0.964 267 N HN 0.279 nan 8.380 nan 0.000 0.444 268 D N 0.076 120.509 120.400 0.055 0.000 2.117 268 D HA -0.056 4.584 4.640 -0.000 0.000 0.197 268 D C 0.883 176.906 176.300 -0.463 0.000 0.987 268 D CA 0.931 54.866 54.000 -0.108 0.000 0.829 268 D CB 0.003 40.825 40.800 0.036 0.000 0.961 268 D HN 0.266 nan 8.370 nan 0.000 0.460 269 C N 0.155 118.917 119.300 -0.896 0.000 2.849 269 C HA 0.621 5.081 4.460 -0.000 0.000 0.271 269 C C 1.948 176.377 174.990 -0.935 0.000 1.519 269 C CA -0.791 57.458 59.018 -1.283 0.000 1.783 269 C CB -0.485 25.812 27.740 -2.406 0.000 2.869 269 C HN 0.230 nan 8.230 nan 0.000 0.527 270 A N 0.599 123.188 122.820 -0.384 0.000 2.014 270 A HA 0.082 4.402 4.320 -0.000 0.000 0.218 270 A C 1.791 179.316 177.584 -0.097 0.000 1.163 270 A CA 2.100 54.086 52.037 -0.084 0.000 0.652 270 A CB -0.012 19.024 19.000 0.059 0.000 0.808 270 A HN 0.400 nan 8.150 nan 0.000 0.449 271 V N -1.716 118.107 119.914 -0.152 0.000 3.102 271 V HA 0.196 4.316 4.120 -0.000 0.000 0.225 271 V C 0.273 176.286 176.094 -0.134 0.000 1.301 271 V CA 0.973 63.210 62.300 -0.106 0.000 1.308 271 V CB 0.498 32.281 31.823 -0.067 0.000 1.129 271 V HN 0.647 nan 8.190 nan 0.000 0.502 272 S N 0.573 116.171 115.700 -0.169 0.000 2.616 272 S HA 0.574 5.044 4.470 -0.000 0.000 0.276 272 S C -0.866 173.621 174.600 -0.189 0.000 1.159 272 S CA -0.607 57.497 58.200 -0.160 0.000 1.000 272 S CB 0.954 64.097 63.200 -0.096 0.000 1.117 272 S HN 0.815 nan 8.310 nan 0.000 0.464 273 C N 0.973 120.129 119.300 -0.239 0.000 3.080 273 C HA 0.968 5.428 4.460 -0.000 0.000 0.307 273 C C 1.922 176.846 174.990 -0.110 0.000 1.311 273 C CA -0.220 58.672 59.018 -0.211 0.000 1.533 273 C CB 0.798 28.245 27.740 -0.488 0.000 1.970 273 C HN 1.318 nan 8.230 nan 0.000 0.467 274 A N 1.237 124.062 122.820 0.009 0.000 1.948 274 A HA 0.084 4.404 4.320 -0.000 0.000 0.220 274 A C 2.158 179.777 177.584 0.059 0.000 1.177 274 A CA 2.729 54.798 52.037 0.052 0.000 0.636 274 A CB -1.465 17.596 19.000 0.101 0.000 0.815 274 A HN 1.796 nan 8.150 nan 0.000 0.449 275 G N -0.271 108.577 108.800 0.080 0.000 2.442 275 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.219 275 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.219 275 G C 1.512 176.399 174.900 -0.020 0.000 1.141 275 G CA 1.083 46.226 45.100 0.072 0.000 0.763 275 G HN 0.477 nan 8.290 nan 0.000 0.554 276 L N 0.455 121.605 121.223 -0.122 0.000 2.109 276 L HA -0.005 4.335 4.340 -0.000 0.000 0.207 276 L C 2.382 179.243 176.870 -0.014 0.000 1.086 276 L CA 0.928 55.719 54.840 -0.081 0.000 0.760 276 L CB -0.311 41.656 42.059 -0.153 0.000 0.910 276 L HN 0.079 nan 8.230 nan 0.000 0.437 277 D N -0.036 120.356 120.400 -0.014 0.000 2.144 277 D HA -0.186 4.454 4.640 -0.000 0.000 0.200 277 D C 2.230 178.551 176.300 0.034 0.000 0.978 277 D CA 0.971 54.976 54.000 0.009 0.000 0.833 277 D CB -0.104 40.699 40.800 0.006 0.000 0.961 277 D HN 0.106 nan 8.370 nan 0.000 0.470 278 R N 1.152 121.680 120.500 0.047 0.000 2.090 278 R HA -0.060 4.280 4.340 -0.000 0.000 0.228 278 R C 2.041 178.389 176.300 0.079 0.000 1.110 278 R CA 1.291 57.428 56.100 0.061 0.000 0.973 278 R CB -0.565 29.778 30.300 0.072 0.000 0.869 278 R HN 0.176 nan 8.270 nan 0.000 0.440 279 Q N 0.355 120.214 119.800 0.098 0.000 2.124 279 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 279 Q C 1.861 177.991 176.000 0.217 0.000 0.977 279 Q CA 1.935 57.834 55.803 0.159 0.000 0.850 279 Q CB -0.101 28.751 28.738 0.190 0.000 0.901 279 Q HN 0.362 nan 8.270 nan 0.000 0.429 280 K N -0.154 120.329 120.400 0.140 0.000 2.032 280 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 280 K C 1.948 178.617 176.600 0.114 0.000 1.048 280 K CA 1.374 57.731 56.287 0.116 0.000 0.927 280 K CB -0.299 32.232 32.500 0.052 0.000 0.712 280 K HN 0.257 nan 8.250 nan 0.000 0.441 281 A N 1.235 124.103 122.820 0.080 0.000 1.972 281 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 281 A C 2.096 179.716 177.584 0.061 0.000 1.169 281 A CA 1.698 53.771 52.037 0.060 0.000 0.635 281 A CB -0.520 18.506 19.000 0.043 0.000 0.810 281 A HN 0.331 nan 8.150 nan 0.000 0.446 282 R N -1.238 119.302 120.500 0.067 0.000 2.062 282 R HA -0.079 4.261 4.340 -0.000 0.000 0.229 282 R C 1.786 178.085 176.300 -0.002 0.000 1.128 282 R CA 1.762 57.870 56.100 0.014 0.000 0.960 282 R CB -1.106 29.184 30.300 -0.016 0.000 0.855 282 R HN 0.533 nan 8.270 nan 0.000 0.432 283 Y N 0.911 121.221 120.300 0.017 0.000 2.128 283 Y HA -0.213 4.337 4.550 -0.000 0.000 0.284 283 Y C 2.378 178.276 175.900 -0.003 0.000 1.154 283 Y CA 2.280 60.385 58.100 0.008 0.000 1.149 283 Y CB -0.279 38.183 38.460 0.005 0.000 0.976 283 Y HN 0.127 nan 8.280 nan 0.000 0.505 284 K N 0.703 121.198 120.400 0.158 0.000 2.032 284 K HA -0.270 4.050 4.320 -0.000 0.000 0.209 284 K C 2.079 178.713 176.600 0.057 0.000 1.048 284 K CA 2.034 58.371 56.287 0.082 0.000 0.927 284 K CB -0.215 32.318 32.500 0.055 0.000 0.712 284 K HN 0.597 nan 8.250 nan 0.000 0.441 285 E N 0.418 120.642 120.200 0.040 0.000 2.106 285 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 285 E C 2.041 178.648 176.600 0.010 0.000 0.984 285 E CA 1.174 57.586 56.400 0.019 0.000 0.806 285 E CB -0.345 29.359 29.700 0.007 0.000 0.750 285 E HN 0.379 nan 8.360 nan 0.000 0.458 286 I N 1.406 121.976 120.570 -0.000 0.000 2.252 286 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 286 I C 2.475 178.609 176.117 0.028 0.000 1.102 286 I CA 0.767 62.057 61.300 -0.016 0.000 1.385 286 I CB -0.133 37.826 38.000 -0.068 0.000 1.064 286 I HN 0.033 nan 8.210 nan 0.000 0.414 287 V N 0.451 120.400 119.914 0.058 0.000 2.295 287 V HA -0.309 3.811 4.120 -0.000 0.000 0.246 287 V C 2.431 178.599 176.094 0.124 0.000 1.049 287 V CA 1.806 64.165 62.300 0.098 0.000 1.024 287 V CB -0.810 31.075 31.823 0.102 0.000 0.648 287 V HN 0.463 nan 8.190 nan 0.000 0.447 288 Q N -0.104 119.743 119.800 0.078 0.000 2.045 288 Q HA -0.263 4.077 4.340 -0.000 0.000 0.206 288 Q C 2.473 178.501 176.000 0.047 0.000 0.991 288 Q CA 2.058 57.896 55.803 0.059 0.000 0.851 288 Q CB -0.524 28.234 28.738 0.034 0.000 0.911 288 Q HN 0.674 nan 8.270 nan 0.000 0.418 289 A N 0.458 123.296 122.820 0.031 0.000 1.873 289 A HA -0.273 4.046 4.320 -0.000 0.000 0.218 289 A C 1.940 179.531 177.584 0.010 0.000 1.193 289 A CA 1.822 53.860 52.037 0.002 0.000 0.629 289 A CB -1.155 17.832 19.000 -0.021 0.000 0.826 289 A HN 0.553 nan 8.150 nan 0.000 0.447 290 Y N 0.435 120.681 120.300 -0.090 0.000 2.097 290 Y HA -0.206 4.344 4.550 0.000 0.000 0.282 290 Y C 2.040 177.876 175.900 -0.107 0.000 1.152 290 Y CA 2.101 60.129 58.100 -0.120 0.000 1.136 290 Y CB -0.360 38.028 38.460 -0.120 0.000 0.975 290 Y HN 0.227 nan 8.280 nan 0.000 0.498 291 L N -0.148 121.090 121.223 0.026 0.000 2.131 291 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 291 L C 2.215 179.031 176.870 -0.090 0.000 1.092 291 L CA 1.735 56.549 54.840 -0.042 0.000 0.759 291 L CB -0.480 41.632 42.059 0.088 0.000 0.903 291 L HN 0.293 nan 8.230 nan 0.000 0.435 292 E N -0.516 119.647 120.200 -0.062 0.000 2.216 292 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 292 E C 2.046 178.592 176.600 -0.090 0.000 0.988 292 E CA 1.299 57.663 56.400 -0.059 0.000 0.834 292 E CB 0.178 29.856 29.700 -0.035 0.000 0.772 292 E HN 0.489 nan 8.360 nan 0.000 0.479 293 V N -2.126 117.710 119.914 -0.130 0.000 3.431 293 V HA 0.140 4.260 4.120 -0.000 0.000 0.253 293 V C 0.715 176.698 176.094 -0.185 0.000 1.184 293 V CA -0.208 62.011 62.300 -0.135 0.000 1.104 293 V CB 0.547 32.297 31.823 -0.121 0.000 0.799 293 V HN -0.140 nan 8.190 nan 0.000 0.462 294 V N 4.274 124.005 119.914 -0.305 0.000 2.328 294 V HA 0.489 4.609 4.120 -0.000 0.000 0.278 294 V C -2.362 173.555 176.094 -0.295 0.000 1.021 294 V CA -1.827 60.250 62.300 -0.372 0.000 0.838 294 V CB 0.945 32.329 31.823 -0.732 0.000 0.999 294 V HN 0.339 nan 8.190 nan 0.000 0.447 295 P HA 0.297 nan 4.420 nan 0.000 0.274 295 P C -2.748 174.494 177.300 -0.097 0.000 1.231 295 P CA -2.117 60.915 63.100 -0.113 0.000 0.790 295 P CB -0.085 31.573 31.700 -0.070 0.000 0.951 296 P HA 0.040 nan 4.420 nan 0.000 0.264 296 P C 1.072 178.377 177.300 0.007 0.000 1.183 296 P CA 1.518 64.620 63.100 0.003 0.000 0.763 296 P CB -0.203 31.514 31.700 0.029 0.000 0.807 297 G N 3.203 112.022 108.800 0.031 0.000 2.232 297 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.226 297 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.226 297 G C 0.875 175.792 174.900 0.028 0.000 0.996 297 G CA -0.228 44.894 45.100 0.036 0.000 0.626 297 G HN 0.540 nan 8.290 nan 0.000 0.509 298 R N -0.057 120.438 120.500 -0.008 0.000 2.543 298 R HA 0.262 4.602 4.340 -0.000 0.000 0.323 298 R C 0.448 176.728 176.300 -0.033 0.000 1.002 298 R CA -0.419 55.674 56.100 -0.011 0.000 1.106 298 R CB 0.539 30.818 30.300 -0.036 0.000 1.280 298 R HN 0.198 nan 8.270 nan 0.000 0.549 299 R N 0.275 120.736 120.500 -0.064 0.000 2.220 299 R HA 0.155 4.495 4.340 -0.000 0.000 0.340 299 R C 1.056 177.405 176.300 0.080 0.000 1.076 299 R CA -0.137 55.884 56.100 -0.132 0.000 0.920 299 R CB 1.038 31.061 30.300 -0.463 0.000 1.062 299 R HN 0.142 nan 8.270 nan 0.000 0.469 300 G N 1.577 110.490 108.800 0.189 0.000 2.813 300 G HA2 0.285 4.245 3.960 -0.000 0.000 0.209 300 G HA3 0.285 4.245 3.960 -0.000 0.000 0.209 300 G C 0.504 175.489 174.900 0.141 0.000 1.150 300 G CA 0.545 45.790 45.100 0.241 0.000 0.785 300 G HN 0.822 nan 8.290 nan 0.000 0.535 301 G N -0.926 107.950 108.800 0.125 0.000 2.334 301 G HA2 0.184 4.144 3.960 -0.000 0.000 0.566 301 G HA3 0.184 4.144 3.960 -0.000 0.000 0.566 301 G C -1.368 173.482 174.900 -0.084 0.000 1.413 301 G CA -0.963 44.228 45.100 0.151 0.000 0.993 301 G HN 0.336 nan 8.290 nan 0.000 0.642 302 I N 0.742 121.327 120.570 0.025 0.000 2.436 302 I HA 0.580 4.750 4.170 -0.000 0.000 0.289 302 I C -0.122 175.999 176.117 0.007 0.000 1.010 302 I CA -0.680 60.557 61.300 -0.106 0.000 1.098 302 I CB 2.556 40.499 38.000 -0.095 0.000 1.266 302 I HN 0.465 nan 8.210 nan 0.000 0.434 303 T N 5.359 119.892 114.554 -0.035 0.000 2.848 303 T HA 0.476 4.826 4.350 -0.000 0.000 0.285 303 T C -0.396 174.342 174.700 0.063 0.000 0.995 303 T CA -0.548 61.553 62.100 0.001 0.000 0.970 303 T CB 1.999 70.832 68.868 -0.059 0.000 0.976 303 T HN 0.384 nan 8.240 nan 0.000 0.441 304 V N 0.731 120.700 119.914 0.092 0.000 2.612 304 V HA 0.552 4.672 4.120 -0.000 0.000 0.301 304 V C -0.034 176.160 176.094 0.166 0.000 1.046 304 V CA -1.071 61.337 62.300 0.180 0.000 0.946 304 V CB 1.604 33.572 31.823 0.240 0.000 1.003 304 V HN 1.014 nan 8.190 nan 0.000 0.459 305 W N 4.913 126.227 121.300 0.025 0.000 1.603 305 W HA 0.583 5.243 4.660 -0.000 0.000 0.392 305 W C 0.470 177.016 176.519 0.045 0.000 0.661 305 W CA 0.537 57.886 57.345 0.008 0.000 2.021 305 W CB 0.157 29.679 29.460 0.104 0.000 1.759 305 W HN 1.267 nan 8.180 nan 0.000 0.334 306 G N 0.984 109.660 108.800 -0.207 0.000 2.334 306 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.566 306 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.566 306 G C -0.104 174.736 174.900 -0.100 0.000 1.413 306 G CA -0.762 44.213 45.100 -0.209 0.000 0.993 306 G HN 0.173 nan 8.290 nan 0.000 0.642 307 I N 0.871 121.373 120.570 -0.114 0.000 2.364 307 I HA 0.390 4.560 4.170 -0.000 0.000 0.241 307 I C 1.677 177.877 176.117 0.139 0.000 1.082 307 I CA 1.403 62.691 61.300 -0.019 0.000 1.401 307 I CB -0.214 37.699 38.000 -0.145 0.000 1.126 307 I HN 0.817 nan 8.210 nan 0.000 0.429 308 A N 0.170 123.023 122.820 0.054 0.000 2.374 308 A HA 0.311 4.631 4.320 -0.000 0.000 0.317 308 A C 0.134 177.749 177.584 0.050 0.000 1.094 308 A CA -0.557 51.542 52.037 0.104 0.000 0.765 308 A CB 0.929 19.947 19.000 0.030 0.000 1.268 308 A HN 0.145 nan 8.150 nan 0.000 0.438 309 D N 1.537 122.000 120.400 0.105 0.000 2.154 309 D HA -0.149 4.491 4.640 -0.000 0.000 0.190 309 D C -0.770 175.394 176.300 -0.227 0.000 1.003 309 D CA 2.319 56.384 54.000 0.109 0.000 0.849 309 D CB -1.159 39.817 40.800 0.294 0.000 0.942 309 D HN 0.433 nan 8.370 nan 0.000 0.446 310 P HA -0.080 nan 4.420 nan 0.000 0.225 310 P C 0.518 177.484 177.300 -0.557 0.000 1.148 310 P CA 1.136 63.509 63.100 -1.211 0.000 0.779 310 P CB 0.035 31.286 31.700 -0.748 0.000 0.780 311 D N -0.855 119.387 120.400 -0.264 0.000 2.317 311 D HA -0.022 4.618 4.640 -0.000 0.000 0.211 311 D C 0.942 177.224 176.300 -0.030 0.000 0.966 311 D CA 0.623 54.540 54.000 -0.139 0.000 0.876 311 D CB -0.420 40.306 40.800 -0.124 0.000 0.927 311 D HN 0.113 nan 8.370 nan 0.000 0.519 312 S N 1.130 116.851 115.700 0.034 0.000 2.564 312 S HA 0.020 4.490 4.470 -0.000 0.000 0.278 312 S C 1.340 176.117 174.600 0.294 0.000 1.333 312 S CA -0.844 57.489 58.200 0.221 0.000 1.048 312 S CB 0.457 63.802 63.200 0.241 0.000 0.900 312 S HN 0.359 nan 8.310 nan 0.000 0.505 313 W N 5.488 126.865 121.300 0.129 0.000 2.424 313 W HA -0.009 4.651 4.660 -0.000 0.000 0.264 313 W C 0.196 176.783 176.519 0.113 0.000 1.229 313 W CA 0.550 57.966 57.345 0.118 0.000 1.208 313 W CB -1.007 28.538 29.460 0.142 0.000 1.127 313 W HN 0.580 nan 8.180 nan 0.000 0.588 314 L N 0.039 121.101 121.223 -0.268 0.000 2.769 314 L HA 0.091 4.431 4.340 -0.000 0.000 0.240 314 L C 1.922 178.785 176.870 -0.013 0.000 1.163 314 L CA -0.423 54.208 54.840 -0.348 0.000 0.962 314 L CB -0.845 40.838 42.059 -0.628 0.000 1.258 314 L HN -0.223 nan 8.230 nan 0.000 0.513 315 Y N 2.022 122.270 120.300 -0.087 0.000 2.256 315 Y HA -0.149 4.401 4.550 -0.000 0.000 0.288 315 Y C 1.363 177.144 175.900 -0.199 0.000 1.155 315 Y CA 1.017 59.035 58.100 -0.136 0.000 1.203 315 Y CB 0.109 38.514 38.460 -0.092 0.000 0.980 315 Y HN 0.229 nan 8.280 nan 0.000 0.530 316 T N 0.285 114.774 114.554 -0.109 0.000 2.886 316 T HA 0.486 4.836 4.350 -0.000 0.000 0.292 316 T C -1.187 173.449 174.700 -0.106 0.000 1.012 316 T CA -0.657 61.311 62.100 -0.220 0.000 0.982 316 T CB 1.855 70.609 68.868 -0.190 0.000 1.018 316 T HN 0.415 nan 8.240 nan 0.000 0.451 317 H N 1.572 120.512 119.070 -0.217 0.000 3.038 317 H HA 0.361 4.917 4.556 0.000 0.000 0.362 317 H C -0.670 174.556 175.328 -0.170 0.000 1.167 317 H CA -0.935 54.992 56.048 -0.201 0.000 1.197 317 H CB 1.118 30.720 29.762 -0.266 0.000 1.840 317 H HN 0.576 nan 8.280 nan 0.000 0.540 318 Q N 1.965 121.702 119.800 -0.105 0.000 2.434 318 Q HA -0.266 4.074 4.340 -0.000 0.000 0.299 318 Q C -0.128 175.753 176.000 -0.199 0.000 1.286 318 Q CA 1.029 56.752 55.803 -0.134 0.000 0.872 318 Q CB -1.670 26.976 28.738 -0.153 0.000 1.193 318 Q HN 0.921 nan 8.270 nan 0.000 0.466 319 N N -1.140 117.450 118.700 -0.182 0.000 2.721 319 N HA -0.231 4.509 4.740 -0.000 0.000 0.249 319 N C -0.572 174.803 175.510 -0.226 0.000 1.072 319 N CA 1.289 54.235 53.050 -0.173 0.000 0.710 319 N CB -0.777 37.643 38.487 -0.112 0.000 0.993 319 N HN 0.419 nan 8.380 nan 0.000 0.547 320 L N -0.001 121.011 121.223 -0.352 0.000 2.388 320 L HA 0.573 4.913 4.340 -0.000 0.000 0.264 320 L C -2.121 174.462 176.870 -0.477 0.000 0.998 320 L CA -1.750 52.863 54.840 -0.378 0.000 0.817 320 L CB 2.569 44.370 42.059 -0.431 0.000 1.338 320 L HN -0.185 nan 8.230 nan 0.000 0.414 321 P HA 0.173 nan 4.420 nan 0.000 0.274 321 P C -1.401 175.383 177.300 -0.859 0.000 1.231 321 P CA -0.017 62.649 63.100 -0.725 0.000 0.790 321 P CB 1.635 32.903 31.700 -0.721 0.000 0.951 322 D N 0.553 120.337 120.400 -1.027 0.000 2.664 322 D HA 0.363 5.003 4.640 -0.000 0.000 0.292 322 D C -1.156 174.705 176.300 -0.732 0.000 1.214 322 D CA -0.163 53.424 54.000 -0.688 0.000 0.932 322 D CB 1.505 42.331 40.800 0.044 0.000 1.420 322 D HN 0.400 nan 8.370 nan 0.000 0.471 323 W N 1.539 122.904 121.300 0.108 0.000 1.713 323 W HA 0.238 4.898 4.660 -0.000 0.000 0.303 323 W C -2.346 174.273 176.519 0.167 0.000 0.915 323 W CA -1.063 56.370 57.345 0.147 0.000 1.751 323 W CB 1.383 30.887 29.460 0.073 0.000 1.955 323 W HN 0.168 nan 8.180 nan 0.000 0.405 324 P HA 0.048 nan 4.420 nan 0.000 0.251 324 P C 0.622 178.146 177.300 0.374 0.000 1.223 324 P CA 1.043 64.326 63.100 0.305 0.000 0.796 324 P CB 0.970 32.806 31.700 0.226 0.000 1.068 325 L N -1.988 119.434 121.223 0.331 0.000 2.293 325 L HA 0.371 4.711 4.340 -0.000 0.000 0.264 325 L C 1.547 178.501 176.870 0.141 0.000 1.029 325 L CA -1.029 53.984 54.840 0.289 0.000 0.897 325 L CB 0.683 42.899 42.059 0.262 0.000 1.497 325 L HN -0.324 nan 8.230 nan 0.000 0.495 326 L N -0.587 120.677 121.223 0.069 0.000 2.375 326 L HA 0.160 4.500 4.340 -0.000 0.000 0.215 326 L C -0.319 176.351 176.870 -0.334 0.000 1.108 326 L CA 0.686 55.422 54.840 -0.174 0.000 0.830 326 L CB 0.041 41.997 42.059 -0.172 0.000 0.959 326 L HN 0.247 nan 8.230 nan 0.000 0.457 327 F N -0.025 119.976 119.950 0.085 0.000 2.538 327 F HA 0.302 4.829 4.527 -0.000 0.000 0.325 327 F C 0.519 176.361 175.800 0.071 0.000 1.066 327 F CA -1.308 56.725 58.000 0.056 0.000 0.946 327 F CB 1.040 40.067 39.000 0.045 0.000 1.199 327 F HN -0.081 nan 8.300 nan 0.000 0.473 328 N N -0.384 118.450 118.700 0.224 0.000 2.593 328 N HA 0.178 4.918 4.740 -0.000 0.000 0.304 328 N C 0.099 175.698 175.510 0.148 0.000 1.296 328 N CA -0.496 52.666 53.050 0.186 0.000 0.950 328 N CB 0.040 38.614 38.487 0.146 0.000 1.127 328 N HN 0.473 nan 8.380 nan 0.000 0.587 329 D N -1.065 119.421 120.400 0.143 0.000 2.178 329 D HA -0.098 4.542 4.640 -0.000 0.000 0.201 329 D C 0.477 176.807 176.300 0.050 0.000 0.980 329 D CA 1.179 55.226 54.000 0.079 0.000 0.842 329 D CB -0.266 40.607 40.800 0.121 0.000 0.948 329 D HN 0.476 nan 8.370 nan 0.000 0.472 330 N N 0.554 119.294 118.700 0.067 0.000 2.383 330 N HA 0.027 4.767 4.740 -0.000 0.000 0.192 330 N C 0.273 175.809 175.510 0.044 0.000 1.141 330 N CA 0.096 53.173 53.050 0.044 0.000 0.851 330 N CB 0.643 39.156 38.487 0.042 0.000 0.976 330 N HN 0.048 nan 8.380 nan 0.000 0.465 331 L N -0.208 121.056 121.223 0.069 0.000 4.140 331 L HA -0.205 4.135 4.340 -0.000 0.000 0.406 331 L C -0.320 176.637 176.870 0.145 0.000 1.175 331 L CA 0.974 55.853 54.840 0.066 0.000 0.939 331 L CB -1.770 40.271 42.059 -0.029 0.000 2.105 331 L HN 0.278 nan 8.230 nan 0.000 0.803 332 Q N 0.846 120.755 119.800 0.181 0.000 2.222 332 Q HA 0.490 4.830 4.340 -0.000 0.000 0.252 332 Q C -1.879 174.238 176.000 0.195 0.000 0.926 332 Q CA -1.703 54.206 55.803 0.176 0.000 0.899 332 Q CB 1.388 30.160 28.738 0.056 0.000 1.250 332 Q HN 0.085 nan 8.270 nan 0.000 0.441 333 P HA 0.084 nan 4.420 nan 0.000 0.271 333 P C -0.658 176.470 177.300 -0.287 0.000 1.216 333 P CA 0.118 62.899 63.100 -0.531 0.000 0.776 333 P CB 0.994 32.188 31.700 -0.844 0.000 0.881 334 K N 3.740 123.986 120.400 -0.257 0.000 2.210 334 K HA 0.347 4.667 4.320 -0.000 0.000 0.236 334 K C -1.660 174.890 176.600 -0.082 0.000 1.016 334 K CA -1.969 54.245 56.287 -0.123 0.000 0.913 334 K CB -0.016 32.437 32.500 -0.079 0.000 1.141 334 K HN 0.095 nan 8.250 nan 0.000 0.462 335 P HA -0.249 nan 4.420 nan 0.000 0.216 335 P C 0.790 178.079 177.300 -0.019 0.000 1.150 335 P CA 1.523 64.610 63.100 -0.021 0.000 0.843 335 P CB 0.040 31.731 31.700 -0.016 0.000 0.787 336 A N -1.391 121.404 122.820 -0.042 0.000 1.997 336 A HA -0.275 4.045 4.320 -0.000 0.000 0.221 336 A C 2.247 179.676 177.584 -0.258 0.000 1.172 336 A CA 1.782 53.739 52.037 -0.133 0.000 0.645 336 A CB -1.950 16.905 19.000 -0.240 0.000 0.813 336 A HN 0.215 nan 8.150 nan 0.000 0.454 337 Y N -0.036 120.063 120.300 -0.336 0.000 2.145 337 Y HA -0.210 4.340 4.550 0.000 0.000 0.286 337 Y C 2.510 178.288 175.900 -0.204 0.000 1.145 337 Y CA 2.247 60.144 58.100 -0.339 0.000 1.148 337 Y CB -0.137 38.070 38.460 -0.422 0.000 0.981 337 Y HN 0.278 nan 8.280 nan 0.000 0.507 338 Q N 0.005 119.831 119.800 0.044 0.000 2.291 338 Q HA -0.064 4.276 4.340 -0.000 0.000 0.205 338 Q C 2.433 178.395 176.000 -0.063 0.000 0.970 338 Q CA 1.076 56.881 55.803 0.003 0.000 0.876 338 Q CB -0.834 27.933 28.738 0.049 0.000 0.935 338 Q HN 0.680 nan 8.270 nan 0.000 0.455 339 G N 0.095 108.863 108.800 -0.054 0.000 2.421 339 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 339 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 339 G C 1.588 176.457 174.900 -0.053 0.000 1.171 339 G CA 1.039 46.129 45.100 -0.017 0.000 0.775 339 G HN 0.287 nan 8.290 nan 0.000 0.543 340 V N 0.483 120.308 119.914 -0.149 0.000 2.307 340 V HA -0.159 3.961 4.120 -0.000 0.000 0.245 340 V C 3.026 179.001 176.094 -0.198 0.000 1.045 340 V CA 1.419 63.621 62.300 -0.162 0.000 1.024 340 V CB -0.540 31.130 31.823 -0.254 0.000 0.651 340 V HN 0.235 nan 8.190 nan 0.000 0.449 341 V N 0.170 119.890 119.914 -0.322 0.000 2.252 341 V HA -0.342 3.778 4.120 -0.000 0.000 0.249 341 V C 2.466 178.494 176.094 -0.111 0.000 1.056 341 V CA 2.430 64.587 62.300 -0.240 0.000 1.022 341 V CB -0.751 30.936 31.823 -0.227 0.000 0.641 341 V HN 0.630 nan 8.190 nan 0.000 0.445 342 E N 0.074 120.228 120.200 -0.076 0.000 2.077 342 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 342 E C 2.321 178.912 176.600 -0.016 0.000 0.989 342 E CA 1.347 57.728 56.400 -0.032 0.000 0.800 342 E CB -0.372 29.318 29.700 -0.017 0.000 0.746 342 E HN 0.619 nan 8.360 nan 0.000 0.452 343 A N 1.186 124.001 122.820 -0.009 0.000 1.877 343 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 343 A C 2.194 179.797 177.584 0.031 0.000 1.186 343 A CA 1.054 53.104 52.037 0.021 0.000 0.620 343 A CB -0.608 18.418 19.000 0.043 0.000 0.822 343 A HN 0.131 nan 8.150 nan 0.000 0.443 344 L N 0.200 121.428 121.223 0.008 0.000 2.201 344 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 344 L C 2.377 179.246 176.870 -0.003 0.000 1.105 344 L CA 1.499 56.347 54.840 0.014 0.000 0.775 344 L CB -0.207 41.823 42.059 -0.048 0.000 0.913 344 L HN 0.595 nan 8.230 nan 0.000 0.440 345 S N -1.292 114.397 115.700 -0.018 0.000 2.554 345 S HA 0.402 4.872 4.470 -0.000 0.000 0.226 345 S C 0.863 175.460 174.600 -0.006 0.000 0.980 345 S CA 0.068 58.257 58.200 -0.019 0.000 0.939 345 S CB 0.350 63.531 63.200 -0.032 0.000 0.832 345 S HN 0.490 nan 8.310 nan 0.000 0.486 346 G N 0.000 108.802 108.800 0.004 0.000 5.446 346 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 346 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 346 G CA 0.000 45.104 45.100 0.007 0.000 0.502 346 G HN 0.000 nan 8.290 nan 0.000 0.925