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 3llq_1_A DATA FIRST_RESID 1 DATA SEQUENCE MGRKLLAEFF GTFWLVFGGC GSAVFAAAFP ELGIGFTGVA LAFGLTVLTM DATA SEQUENCE AYAVGGISGG HFNPAVSVGL TVAGRFPASS LVPYVIAQVA GAIVAAAALY DATA SEQUENCE VIATGKAGID LGGFASNGYG EHSPGGYSLV SALLIEIILT AFFLIVILGS DATA SEQUENCE THGRVPAGFA PIAIGLALTL IHLISIPVTN TSVNPARSTG QALFVGGWAL DATA SEQUENCE QQLWLFWLAP IVGGAAGAVI WKLFGEKD 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.338 176.300 0.064 0.000 1.140 1 M CA 0.000 55.344 55.300 0.074 0.000 0.988 1 M CB 0.000 32.639 32.600 0.066 0.000 1.302 2 G N 1.156 109.980 108.800 0.041 0.000 2.422 2 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.218 2 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.218 2 G C 1.431 176.349 174.900 0.029 0.000 1.146 2 G CA 1.133 46.247 45.100 0.024 0.000 0.769 2 G HN 0.501 nan 8.290 nan 0.000 0.547 3 R N 0.438 120.963 120.500 0.041 0.000 2.091 3 R HA -0.070 4.270 4.340 -0.000 0.000 0.238 3 R C 2.589 178.922 176.300 0.056 0.000 1.136 3 R CA 1.562 57.694 56.100 0.054 0.000 0.959 3 R CB -0.214 30.116 30.300 0.051 0.000 0.856 3 R HN 0.340 nan 8.270 nan 0.000 0.437 4 K N 0.412 120.840 120.400 0.048 0.000 2.103 4 K HA -0.038 4.282 4.320 -0.000 0.000 0.204 4 K C 2.104 178.640 176.600 -0.107 0.000 1.052 4 K CA 0.901 57.195 56.287 0.012 0.000 0.945 4 K CB -0.035 32.532 32.500 0.110 0.000 0.722 4 K HN 0.152 nan 8.250 nan 0.000 0.443 5 L N 0.903 122.092 121.223 -0.056 0.000 2.141 5 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 5 L C 2.267 179.121 176.870 -0.028 0.000 1.094 5 L CA 0.870 55.658 54.840 -0.085 0.000 0.763 5 L CB -0.328 41.721 42.059 -0.018 0.000 0.908 5 L HN 0.160 nan 8.230 nan 0.000 0.437 6 L N -0.561 120.672 121.223 0.018 0.000 2.109 6 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 6 L C 2.880 179.895 176.870 0.241 0.000 1.086 6 L CA 0.902 55.788 54.840 0.075 0.000 0.760 6 L CB -0.585 41.574 42.059 0.167 0.000 0.910 6 L HN 0.217 nan 8.230 nan 0.000 0.437 7 A N -0.112 122.823 122.820 0.191 0.000 1.883 7 A HA -0.208 4.111 4.320 -0.000 0.000 0.217 7 A C 2.178 179.925 177.584 0.272 0.000 1.186 7 A CA 1.555 53.734 52.037 0.236 0.000 0.624 7 A CB -0.371 18.718 19.000 0.148 0.000 0.822 7 A HN 0.354 nan 8.150 nan 0.000 0.444 8 E N -1.095 119.171 120.200 0.111 0.000 2.110 8 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 8 E C 1.770 178.483 176.600 0.188 0.000 0.988 8 E CA 1.153 57.637 56.400 0.140 0.000 0.804 8 E CB -0.442 29.142 29.700 -0.193 0.000 0.745 8 E HN 0.723 nan 8.360 nan 0.000 0.458 9 F N 0.904 120.828 119.950 -0.044 0.000 2.060 9 F HA -0.189 4.338 4.527 -0.000 0.000 0.295 9 F C 2.064 177.804 175.800 -0.101 0.000 1.120 9 F CA 1.245 59.164 58.000 -0.134 0.000 1.205 9 F CB -0.421 38.356 39.000 -0.372 0.000 0.986 9 F HN -0.150 nan 8.300 nan 0.000 0.470 10 F N 1.081 121.068 119.950 0.061 0.000 2.126 10 F HA -0.027 4.500 4.527 -0.000 0.000 0.299 10 F C 2.736 178.478 175.800 -0.097 0.000 1.096 10 F CA 1.353 59.296 58.000 -0.096 0.000 1.255 10 F CB -1.564 37.414 39.000 -0.038 0.000 0.997 10 F HN 0.099 nan 8.300 nan 0.000 0.479 11 G N -0.823 107.982 108.800 0.009 0.000 2.446 11 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.217 11 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.217 11 G C 1.703 176.380 174.900 -0.372 0.000 1.168 11 G CA 1.587 46.366 45.100 -0.535 0.000 0.771 11 G HN 0.337 nan 8.290 nan 0.000 0.551 12 T N 0.562 115.085 114.554 -0.053 0.000 2.904 12 T HA -0.050 4.300 4.350 -0.000 0.000 0.267 12 T C 1.896 176.594 174.700 -0.003 0.000 1.059 12 T CA 0.871 62.986 62.100 0.024 0.000 1.137 12 T CB -0.256 68.670 68.868 0.096 0.000 0.879 12 T HN 0.270 nan 8.240 nan 0.000 0.467 13 F N 0.814 120.647 119.950 -0.196 0.000 2.065 13 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 13 F C 2.306 178.145 175.800 0.064 0.000 1.112 13 F CA 1.466 59.382 58.000 -0.141 0.000 1.212 13 F CB -0.279 38.553 39.000 -0.281 0.000 0.975 13 F HN 0.252 nan 8.300 nan 0.000 0.476 14 W N 1.016 122.393 121.300 0.129 0.000 2.338 14 W HA -0.277 4.382 4.660 -0.000 0.000 0.304 14 W C 2.309 178.761 176.519 -0.110 0.000 1.212 14 W CA 1.499 58.867 57.345 0.038 0.000 1.264 14 W CB -0.540 28.898 29.460 -0.037 0.000 1.142 14 W HN 0.228 nan 8.180 nan 0.000 0.512 15 L N 0.328 121.492 121.223 -0.098 0.000 2.012 15 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 15 L C 2.193 178.880 176.870 -0.306 0.000 1.073 15 L CA 1.698 56.420 54.840 -0.196 0.000 0.748 15 L CB -0.773 41.284 42.059 -0.003 0.000 0.891 15 L HN -0.194 nan 8.230 nan 0.000 0.431 16 V N -1.083 118.687 119.914 -0.240 0.000 2.488 16 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 16 V C 2.072 177.891 176.094 -0.459 0.000 1.046 16 V CA 1.632 63.752 62.300 -0.299 0.000 1.053 16 V CB -0.436 31.248 31.823 -0.231 0.000 0.679 16 V HN 0.457 nan 8.190 nan 0.000 0.458 17 F N 1.712 121.280 119.950 -0.637 0.000 2.186 17 F HA 0.032 4.559 4.527 -0.000 0.000 0.299 17 F C 2.093 177.533 175.800 -0.599 0.000 1.090 17 F CA 1.592 59.224 58.000 -0.614 0.000 1.307 17 F CB -0.488 38.126 39.000 -0.644 0.000 1.019 17 F HN 0.138 nan 8.300 nan 0.000 0.489 18 G N -0.544 107.880 108.800 -0.626 0.000 2.404 18 G HA2 -0.083 3.876 3.960 -0.000 0.000 0.213 18 G HA3 -0.083 3.876 3.960 -0.000 0.000 0.213 18 G C 1.890 176.258 174.900 -0.887 0.000 1.189 18 G CA 0.570 45.171 45.100 -0.833 0.000 0.796 18 G HN 0.545 nan 8.290 nan 0.000 0.532 19 G N 0.226 108.293 108.800 -1.223 0.000 2.453 19 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.215 19 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.215 19 G C 1.874 175.979 174.900 -1.325 0.000 1.201 19 G CA 1.432 45.250 45.100 -2.137 0.000 0.784 19 G HN 0.443 nan 8.290 nan 0.000 0.545 20 C N 0.892 119.692 119.300 -0.833 0.000 2.440 20 C HA 0.117 4.577 4.460 -0.000 0.000 0.278 20 C C 3.211 177.789 174.990 -0.687 0.000 1.295 20 C CA 0.603 59.298 59.018 -0.538 0.000 1.738 20 C CB -1.109 26.319 27.740 -0.520 0.000 1.987 20 C HN 0.522 nan 8.230 nan 0.000 0.492 21 G N 0.866 109.175 108.800 -0.818 0.000 2.422 21 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.218 21 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.218 21 G C 1.755 176.224 174.900 -0.719 0.000 1.140 21 G CA 1.278 45.769 45.100 -1.016 0.000 0.775 21 G HN 0.649 nan 8.290 nan 0.000 0.545 22 S N 0.958 116.353 115.700 -0.507 0.000 2.402 22 S HA 0.204 4.674 4.470 -0.000 0.000 0.229 22 S C 2.530 176.993 174.600 -0.227 0.000 1.021 22 S CA 1.328 59.358 58.200 -0.284 0.000 0.974 22 S CB -0.266 62.762 63.200 -0.287 0.000 0.800 22 S HN 0.500 nan 8.310 nan 0.000 0.484 23 A N 1.476 124.128 122.820 -0.280 0.000 1.897 23 A HA 0.165 4.485 4.320 -0.000 0.000 0.215 23 A C 2.394 179.872 177.584 -0.177 0.000 1.181 23 A CA 1.409 53.358 52.037 -0.147 0.000 0.620 23 A CB -0.976 17.973 19.000 -0.085 0.000 0.821 23 A HN 0.433 nan 8.150 nan 0.000 0.443 24 V N -1.105 118.577 119.914 -0.387 0.000 2.307 24 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 24 V C 2.264 178.222 176.094 -0.227 0.000 1.045 24 V CA 1.893 63.968 62.300 -0.374 0.000 1.024 24 V CB -0.910 30.545 31.823 -0.614 0.000 0.651 24 V HN 0.542 nan 8.190 nan 0.000 0.449 25 F N 0.132 120.037 119.950 -0.075 0.000 2.387 25 F HA 0.311 4.838 4.527 -0.000 0.000 0.294 25 F C 2.092 177.904 175.800 0.020 0.000 1.093 25 F CA 0.774 58.752 58.000 -0.035 0.000 1.420 25 F CB -0.740 38.202 39.000 -0.097 0.000 1.086 25 F HN 0.136 nan 8.300 nan 0.000 0.531 26 A N -0.968 121.934 122.820 0.137 0.000 2.226 26 A HA 0.572 4.891 4.320 -0.000 0.000 0.207 26 A C 2.058 179.706 177.584 0.107 0.000 1.293 26 A CA 0.609 52.709 52.037 0.104 0.000 0.968 26 A CB -0.816 18.196 19.000 0.020 0.000 1.044 26 A HN 0.110 nan 8.150 nan 0.000 0.493 27 A N 0.176 123.039 122.820 0.072 0.000 1.933 27 A HA 0.270 4.590 4.320 -0.000 0.000 0.218 27 A C 1.992 179.615 177.584 0.066 0.000 1.175 27 A CA 1.921 54.001 52.037 0.070 0.000 0.628 27 A CB -0.498 18.560 19.000 0.097 0.000 0.814 27 A HN 1.160 nan 8.150 nan 0.000 0.444 28 A N -2.100 120.770 122.820 0.084 0.000 2.465 28 A HA 0.498 4.818 4.320 -0.000 0.000 0.255 28 A C 0.288 177.918 177.584 0.077 0.000 1.274 28 A CA -0.667 51.400 52.037 0.050 0.000 0.920 28 A CB -0.431 18.585 19.000 0.028 0.000 1.033 28 A HN 0.370 nan 8.150 nan 0.000 0.516 29 F N 1.865 121.814 119.950 -0.001 0.000 2.608 29 F HA 0.266 4.793 4.527 -0.000 0.000 0.380 29 F C -2.152 173.643 175.800 -0.009 0.000 1.083 29 F CA -1.487 56.514 58.000 0.003 0.000 1.266 29 F CB 0.548 39.553 39.000 0.009 0.000 1.076 29 F HN 0.061 nan 8.300 nan 0.000 0.574 30 P HA 0.048 nan 4.420 nan 0.000 0.268 30 P C -0.174 177.121 177.300 -0.008 0.000 1.204 30 P CA 0.510 63.494 63.100 -0.194 0.000 0.768 30 P CB 0.714 32.240 31.700 -0.290 0.000 0.842 31 E N 1.006 121.216 120.200 0.017 0.000 4.908 31 E HA -0.226 4.124 4.350 -0.000 0.000 0.164 31 E C 0.861 177.513 176.600 0.088 0.000 1.196 31 E CA 1.759 58.187 56.400 0.046 0.000 2.347 31 E CB -1.667 28.062 29.700 0.048 0.000 1.786 31 E HN 0.431 nan 8.360 nan 0.000 0.456 32 L N 0.417 121.750 121.223 0.184 0.000 2.858 32 L HA 0.365 4.705 4.340 -0.000 0.000 0.251 32 L C 1.338 178.284 176.870 0.126 0.000 1.149 32 L CA 0.233 55.159 54.840 0.142 0.000 0.955 32 L CB 0.772 42.918 42.059 0.145 0.000 1.289 32 L HN 0.104 nan 8.230 nan 0.000 0.542 33 G N 0.879 109.791 108.800 0.187 0.000 2.664 33 G HA2 0.204 4.163 3.960 -0.000 0.000 0.242 33 G HA3 0.204 4.163 3.960 -0.000 0.000 0.242 33 G C 0.933 175.866 174.900 0.056 0.000 1.225 33 G CA -0.292 44.897 45.100 0.148 0.000 0.849 33 G HN 0.330 nan 8.290 nan 0.000 0.581 34 I N -1.456 119.138 120.570 0.040 0.000 3.860 34 I HA 0.424 4.594 4.170 -0.000 0.000 0.319 34 I C 1.132 177.263 176.117 0.023 0.000 1.279 34 I CA 0.343 61.654 61.300 0.019 0.000 1.220 34 I CB -0.594 37.409 38.000 0.005 0.000 1.027 34 I HN 0.929 nan 8.210 nan 0.000 0.428 35 G N 1.372 110.180 108.800 0.012 0.000 2.804 35 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.230 35 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.230 35 G C -0.072 174.896 174.900 0.113 0.000 1.386 35 G CA 0.141 45.218 45.100 -0.037 0.000 0.875 35 G HN 0.154 nan 8.290 nan 0.000 0.557 36 F N 0.612 120.569 119.950 0.012 0.000 2.171 36 F HA -0.036 4.491 4.527 -0.000 0.000 0.300 36 F C 3.165 178.973 175.800 0.013 0.000 1.090 36 F CA 2.090 60.098 58.000 0.014 0.000 1.293 36 F CB -1.403 37.604 39.000 0.012 0.000 1.013 36 F HN 0.497 nan 8.300 nan 0.000 0.486 37 T N -0.532 114.136 114.554 0.188 0.000 2.720 37 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 37 T C 2.335 177.076 174.700 0.069 0.000 1.037 37 T CA 1.543 63.705 62.100 0.104 0.000 1.144 37 T CB -0.885 68.021 68.868 0.063 0.000 0.864 37 T HN 0.403 nan 8.240 nan 0.000 0.444 38 G N 0.552 109.388 108.800 0.060 0.000 2.430 38 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.216 38 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.216 38 G C 1.682 176.585 174.900 0.005 0.000 1.146 38 G CA 0.472 45.584 45.100 0.021 0.000 0.793 38 G HN 0.428 nan 8.290 nan 0.000 0.537 39 V N 1.566 121.511 119.914 0.052 0.000 2.358 39 V HA -0.117 4.002 4.120 -0.000 0.000 0.246 39 V C 3.299 179.424 176.094 0.051 0.000 1.047 39 V CA 1.956 64.286 62.300 0.049 0.000 1.035 39 V CB -0.758 31.150 31.823 0.141 0.000 0.658 39 V HN 0.452 nan 8.190 nan 0.000 0.452 40 A N -0.107 122.735 122.820 0.036 0.000 1.877 40 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 40 A C 2.172 179.727 177.584 -0.048 0.000 1.186 40 A CA 2.102 54.117 52.037 -0.036 0.000 0.620 40 A CB -0.658 18.373 19.000 0.052 0.000 0.822 40 A HN 0.419 nan 8.150 nan 0.000 0.443 41 L N -0.101 121.115 121.223 -0.013 0.000 1.989 41 L HA -0.124 4.216 4.340 -0.000 0.000 0.211 41 L C 2.765 179.598 176.870 -0.062 0.000 1.071 41 L CA 2.258 57.088 54.840 -0.017 0.000 0.749 41 L CB -1.124 40.930 42.059 -0.009 0.000 0.890 41 L HN 0.406 nan 8.230 nan 0.000 0.431 42 A N -0.812 121.942 122.820 -0.111 0.000 1.881 42 A HA -0.316 4.003 4.320 -0.000 0.000 0.219 42 A C 2.225 179.629 177.584 -0.301 0.000 1.215 42 A CA 2.517 54.409 52.037 -0.241 0.000 0.648 42 A CB -1.374 17.430 19.000 -0.325 0.000 0.832 42 A HN 0.466 nan 8.150 nan 0.000 0.455 43 F N 0.090 119.824 119.950 -0.360 0.000 2.186 43 F HA -0.004 4.523 4.527 -0.000 0.000 0.299 43 F C 2.657 178.317 175.800 -0.234 0.000 1.090 43 F CA 1.281 59.046 58.000 -0.392 0.000 1.307 43 F CB -0.697 37.852 39.000 -0.752 0.000 1.019 43 F HN 0.296 nan 8.300 nan 0.000 0.489 44 G N -0.256 108.554 108.800 0.017 0.000 2.422 44 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 44 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 44 G C 1.712 176.654 174.900 0.071 0.000 1.146 44 G CA 0.604 45.743 45.100 0.065 0.000 0.769 44 G HN 0.312 nan 8.290 nan 0.000 0.547 45 L N 1.299 122.533 121.223 0.019 0.000 2.217 45 L HA -0.048 4.292 4.340 -0.000 0.000 0.211 45 L C 3.322 180.235 176.870 0.071 0.000 1.107 45 L CA 1.530 56.403 54.840 0.055 0.000 0.783 45 L CB -0.726 41.341 42.059 0.013 0.000 0.919 45 L HN 0.442 nan 8.230 nan 0.000 0.442 46 T N -3.321 111.190 114.554 -0.071 0.000 2.788 46 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 46 T C 1.755 176.565 174.700 0.183 0.000 1.044 46 T CA 1.239 63.284 62.100 -0.092 0.000 1.139 46 T CB -0.567 68.067 68.868 -0.390 0.000 0.867 46 T HN 0.096 nan 8.240 nan 0.000 0.454 47 V N 1.219 121.243 119.914 0.183 0.000 2.446 47 V HA 0.124 4.243 4.120 -0.000 0.000 0.244 47 V C 2.566 178.823 176.094 0.271 0.000 1.039 47 V CA 1.214 63.694 62.300 0.301 0.000 1.045 47 V CB -0.586 31.446 31.823 0.349 0.000 0.681 47 V HN 0.474 nan 8.190 nan 0.000 0.459 48 L N 0.581 121.928 121.223 0.207 0.000 2.042 48 L HA -0.210 4.129 4.340 -0.000 0.000 0.210 48 L C 2.705 179.724 176.870 0.248 0.000 1.076 48 L CA 2.546 57.495 54.840 0.181 0.000 0.749 48 L CB -0.504 41.671 42.059 0.194 0.000 0.893 48 L HN 0.622 nan 8.230 nan 0.000 0.432 49 T N -3.117 111.611 114.554 0.291 0.000 2.770 49 T HA -0.157 4.193 4.350 -0.000 0.000 0.263 49 T C 1.843 176.690 174.700 0.244 0.000 1.039 49 T CA 1.016 63.299 62.100 0.305 0.000 1.142 49 T CB -0.288 68.777 68.868 0.329 0.000 0.868 49 T HN 0.162 nan 8.240 nan 0.000 0.435 50 M N 1.298 121.039 119.600 0.236 0.000 2.492 50 M HA 0.365 4.845 4.480 -0.000 0.000 0.262 50 M C 2.686 179.188 176.300 0.337 0.000 1.090 50 M CA 0.752 56.136 55.300 0.141 0.000 1.110 50 M CB -1.351 31.181 32.600 -0.113 0.000 1.407 50 M HN 0.520 nan 8.290 nan 0.000 0.470 51 A N -0.846 122.189 122.820 0.359 0.000 1.898 51 A HA -0.175 4.144 4.320 -0.000 0.000 0.216 51 A C 2.001 179.618 177.584 0.056 0.000 1.181 51 A CA 1.256 53.427 52.037 0.223 0.000 0.620 51 A CB -0.919 18.123 19.000 0.071 0.000 0.819 51 A HN 0.436 nan 8.150 nan 0.000 0.442 52 Y N -0.223 120.155 120.300 0.130 0.000 2.145 52 Y HA -0.145 4.405 4.550 -0.000 0.000 0.286 52 Y C 2.952 178.886 175.900 0.056 0.000 1.145 52 Y CA 1.097 59.238 58.100 0.068 0.000 1.148 52 Y CB -0.193 38.292 38.460 0.042 0.000 0.981 52 Y HN 0.358 nan 8.280 nan 0.000 0.507 53 A N -0.546 122.396 122.820 0.204 0.000 1.898 53 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 53 A C 1.920 179.561 177.584 0.094 0.000 1.181 53 A CA 2.269 54.364 52.037 0.096 0.000 0.620 53 A CB -0.872 18.130 19.000 0.003 0.000 0.819 53 A HN 0.362 nan 8.150 nan 0.000 0.442 54 V N -4.282 115.724 119.914 0.153 0.000 3.398 54 V HA 0.427 4.547 4.120 -0.000 0.000 0.298 54 V C 1.733 177.925 176.094 0.164 0.000 1.496 54 V CA 0.727 63.123 62.300 0.161 0.000 1.044 54 V CB -0.394 31.549 31.823 0.200 0.000 0.880 54 V HN 0.339 nan 8.190 nan 0.000 0.443 55 G N 1.678 110.571 108.800 0.155 0.000 2.432 55 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.219 55 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.219 55 G C 1.342 176.269 174.900 0.044 0.000 1.135 55 G CA 0.938 46.076 45.100 0.063 0.000 0.767 55 G HN 0.827 nan 8.290 nan 0.000 0.550 56 G N -0.121 108.714 108.800 0.059 0.000 2.848 56 G HA2 0.212 4.172 3.960 -0.000 0.000 0.208 56 G HA3 0.212 4.172 3.960 -0.000 0.000 0.208 56 G C 1.351 176.285 174.900 0.056 0.000 1.152 56 G CA 0.135 45.265 45.100 0.050 0.000 0.789 56 G HN 0.460 nan 8.290 nan 0.000 0.531 57 I N 0.304 120.913 120.570 0.065 0.000 2.900 57 I HA 0.009 4.178 4.170 -0.000 0.000 0.251 57 I C 2.627 178.791 176.117 0.078 0.000 1.102 57 I CA 1.129 62.470 61.300 0.068 0.000 1.457 57 I CB 0.115 38.158 38.000 0.072 0.000 1.285 57 I HN 0.226 nan 8.210 nan 0.000 0.459 58 S N -0.175 115.563 115.700 0.064 0.000 2.524 58 S HA 0.303 4.773 4.470 -0.000 0.000 0.215 58 S C 1.520 176.163 174.600 0.072 0.000 0.986 58 S CA 0.498 58.737 58.200 0.065 0.000 0.911 58 S CB 0.925 64.076 63.200 -0.082 0.000 0.805 58 S HN 0.627 nan 8.310 nan 0.000 0.501 59 G N 1.005 109.830 108.800 0.042 0.000 2.234 59 G HA2 0.002 3.961 3.960 -0.000 0.000 0.235 59 G HA3 0.002 3.961 3.960 -0.000 0.000 0.235 59 G C 1.010 175.893 174.900 -0.029 0.000 0.997 59 G CA 0.062 45.197 45.100 0.059 0.000 0.623 59 G HN 1.831 nan 8.290 nan 0.000 0.514 60 G N -0.159 108.504 108.800 -0.227 0.000 2.372 60 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.297 60 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.297 60 G C 0.669 174.951 174.900 -1.029 0.000 1.005 60 G CA 1.459 46.074 45.100 -0.808 0.000 1.173 60 G HN 1.011 nan 8.290 nan 0.000 0.511 61 H N -0.305 118.270 119.070 -0.825 0.000 2.294 61 H HA 0.061 4.617 4.556 -0.000 0.000 0.306 61 H C 1.636 176.753 175.328 -0.352 0.000 1.065 61 H CA 0.639 56.395 56.048 -0.485 0.000 1.343 61 H CB 0.057 29.697 29.762 -0.203 0.000 1.396 61 H HN 0.714 nan 8.280 nan 0.000 0.506 62 F N 0.125 120.185 119.950 0.182 0.000 3.084 62 F HA -0.229 4.298 4.527 -0.000 0.000 0.286 62 F C 0.003 175.876 175.800 0.122 0.000 0.855 62 F CA 0.762 58.839 58.000 0.129 0.000 1.091 62 F CB -2.187 36.898 39.000 0.142 0.000 1.177 62 F HN 0.343 nan 8.300 nan 0.000 0.542 63 N N -1.440 117.402 118.700 0.238 0.000 3.392 63 N HA 0.209 4.948 4.740 -0.000 0.000 0.223 63 N C -2.419 173.151 175.510 0.099 0.000 1.137 63 N CA -1.209 51.929 53.050 0.147 0.000 0.991 63 N CB 1.432 40.030 38.487 0.185 0.000 1.602 63 N HN -0.327 nan 8.380 nan 0.000 0.702 64 P HA -0.032 nan 4.420 nan 0.000 0.218 64 P C 0.941 178.281 177.300 0.066 0.000 1.148 64 P CA 1.607 64.761 63.100 0.090 0.000 0.822 64 P CB 0.350 32.062 31.700 0.021 0.000 0.784 65 A N -0.994 121.836 122.820 0.016 0.000 2.016 65 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 65 A C 2.245 179.822 177.584 -0.012 0.000 1.162 65 A CA 1.130 53.180 52.037 0.022 0.000 0.662 65 A CB -1.480 17.529 19.000 0.015 0.000 0.812 65 A HN 0.003 nan 8.150 nan 0.000 0.450 66 V N -0.081 119.808 119.914 -0.041 0.000 2.295 66 V HA -0.223 3.896 4.120 -0.000 0.000 0.246 66 V C 2.792 178.684 176.094 -0.336 0.000 1.049 66 V CA 2.382 64.558 62.300 -0.207 0.000 1.024 66 V CB -0.805 30.864 31.823 -0.256 0.000 0.648 66 V HN 0.557 nan 8.190 nan 0.000 0.447 67 S N -0.210 115.369 115.700 -0.202 0.000 2.370 67 S HA -0.184 4.286 4.470 -0.000 0.000 0.226 67 S C 2.000 176.560 174.600 -0.067 0.000 1.033 67 S CA 1.573 59.673 58.200 -0.167 0.000 1.011 67 S CB -0.282 63.016 63.200 0.163 0.000 0.852 67 S HN 0.373 nan 8.310 nan 0.000 0.457 68 V N 1.503 121.426 119.914 0.015 0.000 2.343 68 V HA -0.135 3.985 4.120 -0.000 0.000 0.247 68 V C 2.599 178.701 176.094 0.014 0.000 1.051 68 V CA 1.971 64.305 62.300 0.057 0.000 1.036 68 V CB -1.409 30.461 31.823 0.078 0.000 0.654 68 V HN 0.592 nan 8.190 nan 0.000 0.451 69 G N -0.531 108.240 108.800 -0.047 0.000 2.402 69 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.216 69 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.216 69 G C 1.565 176.417 174.900 -0.080 0.000 1.162 69 G CA 0.681 45.743 45.100 -0.062 0.000 0.777 69 G HN 0.459 nan 8.290 nan 0.000 0.539 70 L N 0.613 121.740 121.223 -0.160 0.000 2.141 70 L HA -0.058 4.282 4.340 -0.000 0.000 0.209 70 L C 3.111 180.012 176.870 0.053 0.000 1.094 70 L CA 1.304 56.067 54.840 -0.129 0.000 0.763 70 L CB -0.629 41.239 42.059 -0.319 0.000 0.908 70 L HN 0.185 nan 8.230 nan 0.000 0.437 71 T N -0.566 114.056 114.554 0.113 0.000 2.737 71 T HA -0.134 4.216 4.350 -0.000 0.000 0.265 71 T C 2.003 176.755 174.700 0.087 0.000 1.038 71 T CA 1.180 63.381 62.100 0.169 0.000 1.144 71 T CB -0.210 68.771 68.868 0.188 0.000 0.866 71 T HN 0.056 nan 8.240 nan 0.000 0.434 72 V N 1.725 121.677 119.914 0.063 0.000 2.594 72 V HA -0.115 4.005 4.120 -0.000 0.000 0.253 72 V C 2.670 178.797 176.094 0.054 0.000 1.069 72 V CA 1.535 63.866 62.300 0.051 0.000 1.082 72 V CB -1.007 30.842 31.823 0.043 0.000 0.680 72 V HN 0.534 nan 8.190 nan 0.000 0.469 73 A N -0.605 122.249 122.820 0.058 0.000 2.238 73 A HA 0.384 4.704 4.320 -0.000 0.000 0.208 73 A C 2.009 179.643 177.584 0.082 0.000 1.177 73 A CA 0.956 53.044 52.037 0.086 0.000 0.804 73 A CB -0.482 18.576 19.000 0.097 0.000 0.823 73 A HN 1.174 nan 8.150 nan 0.000 0.482 74 G N -0.786 108.054 108.800 0.067 0.000 2.153 74 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.252 74 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.252 74 G C 0.973 175.912 174.900 0.065 0.000 0.994 74 G CA 0.543 45.677 45.100 0.056 0.000 0.698 74 G HN 0.404 nan 8.290 nan 0.000 0.521 75 R N -1.331 119.221 120.500 0.086 0.000 2.240 75 R HA 0.301 4.641 4.340 -0.000 0.000 0.203 75 R C 0.346 176.748 176.300 0.171 0.000 1.011 75 R CA 0.574 56.732 56.100 0.096 0.000 1.007 75 R CB 0.026 30.361 30.300 0.058 0.000 0.911 75 R HN 0.627 nan 8.270 nan 0.000 0.468 76 F N 1.672 121.608 119.950 -0.023 0.000 2.588 76 F HA 0.404 4.931 4.527 -0.000 0.000 0.314 76 F C -2.578 173.193 175.800 -0.048 0.000 1.134 76 F CA -2.915 55.065 58.000 -0.033 0.000 0.961 76 F CB 1.998 40.990 39.000 -0.013 0.000 1.239 76 F HN -0.198 nan 8.300 nan 0.000 0.448 77 P HA 0.188 nan 4.420 nan 0.000 0.271 77 P C 0.006 177.034 177.300 -0.454 0.000 1.226 77 P CA 0.132 62.957 63.100 -0.458 0.000 0.765 77 P CB 1.352 32.792 31.700 -0.434 0.000 0.835 78 A N 3.823 126.532 122.820 -0.185 0.000 2.076 78 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 78 A C 2.108 179.631 177.584 -0.101 0.000 1.160 78 A CA 2.037 54.026 52.037 -0.081 0.000 0.653 78 A CB -1.314 17.675 19.000 -0.018 0.000 0.801 78 A HN 0.627 nan 8.150 nan 0.000 0.455 79 S N -1.163 114.447 115.700 -0.151 0.000 2.507 79 S HA -0.015 4.454 4.470 -0.000 0.000 0.235 79 S C 1.511 176.040 174.600 -0.119 0.000 0.988 79 S CA 1.301 59.436 58.200 -0.107 0.000 0.944 79 S CB -0.277 62.863 63.200 -0.099 0.000 0.762 79 S HN 0.366 nan 8.310 nan 0.000 0.526 80 S N 0.787 116.331 115.700 -0.259 0.000 2.556 80 S HA 0.313 4.783 4.470 -0.000 0.000 0.216 80 S C 1.270 175.886 174.600 0.028 0.000 0.970 80 S CA -0.132 57.951 58.200 -0.196 0.000 0.912 80 S CB -0.030 62.855 63.200 -0.525 0.000 0.790 80 S HN 0.408 nan 8.310 nan 0.000 0.504 81 L N 2.101 123.381 121.223 0.094 0.000 1.970 81 L HA -0.033 4.307 4.340 -0.000 0.000 0.212 81 L C 2.112 179.131 176.870 0.249 0.000 1.071 81 L CA 1.956 56.952 54.840 0.261 0.000 0.751 81 L CB -1.024 41.160 42.059 0.209 0.000 0.889 81 L HN 0.144 nan 8.230 nan 0.000 0.432 82 V N 0.474 120.494 119.914 0.177 0.000 2.295 82 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 82 V C -0.004 176.211 176.094 0.203 0.000 1.049 82 V CA 2.290 64.694 62.300 0.174 0.000 1.024 82 V CB -1.777 30.116 31.823 0.117 0.000 0.648 82 V HN 0.364 nan 8.190 nan 0.000 0.447 83 P HA -0.167 nan 4.420 nan 0.000 0.215 83 P C 1.470 178.954 177.300 0.307 0.000 1.157 83 P CA 1.520 64.751 63.100 0.218 0.000 0.868 83 P CB -0.152 31.677 31.700 0.214 0.000 0.788 84 Y N -0.444 119.952 120.300 0.160 0.000 2.165 84 Y HA -0.171 4.378 4.550 -0.000 0.000 0.286 84 Y C 2.393 178.390 175.900 0.163 0.000 1.155 84 Y CA 0.803 58.992 58.100 0.149 0.000 1.164 84 Y CB -1.501 37.050 38.460 0.151 0.000 0.978 84 Y HN -0.241 nan 8.280 nan 0.000 0.513 85 V N -0.359 119.766 119.914 0.351 0.000 2.407 85 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 85 V C 2.233 178.491 176.094 0.273 0.000 1.055 85 V CA 1.262 63.745 62.300 0.306 0.000 1.049 85 V CB -0.604 31.416 31.823 0.328 0.000 0.662 85 V HN 0.292 nan 8.190 nan 0.000 0.455 86 I N 0.776 121.485 120.570 0.231 0.000 2.252 86 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 86 I C 2.717 178.947 176.117 0.189 0.000 1.102 86 I CA 1.796 63.211 61.300 0.193 0.000 1.385 86 I CB -1.716 36.370 38.000 0.144 0.000 1.064 86 I HN 0.300 nan 8.210 nan 0.000 0.414 87 A N 0.314 123.238 122.820 0.173 0.000 1.933 87 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 87 A C 2.279 180.001 177.584 0.230 0.000 1.175 87 A CA 1.514 53.659 52.037 0.180 0.000 0.628 87 A CB -0.564 18.488 19.000 0.087 0.000 0.814 87 A HN 0.512 nan 8.150 nan 0.000 0.444 88 Q N -0.705 119.209 119.800 0.190 0.000 2.049 88 Q HA -0.065 4.275 4.340 -0.000 0.000 0.198 88 Q C 2.088 178.188 176.000 0.166 0.000 0.971 88 Q CA 1.546 57.453 55.803 0.173 0.000 0.833 88 Q CB -0.268 28.579 28.738 0.180 0.000 0.896 88 Q HN 0.467 nan 8.270 nan 0.000 0.434 89 V N 0.963 121.001 119.914 0.206 0.000 2.515 89 V HA -0.232 3.888 4.120 -0.000 0.000 0.250 89 V C 2.151 178.371 176.094 0.211 0.000 1.058 89 V CA 1.631 64.062 62.300 0.220 0.000 1.064 89 V CB -0.885 31.122 31.823 0.307 0.000 0.675 89 V HN 0.375 nan 8.190 nan 0.000 0.461 90 A N 0.742 123.705 122.820 0.240 0.000 1.898 90 A HA -0.032 4.288 4.320 -0.000 0.000 0.216 90 A C 2.446 180.214 177.584 0.307 0.000 1.181 90 A CA 1.759 53.976 52.037 0.300 0.000 0.620 90 A CB -1.198 18.011 19.000 0.348 0.000 0.819 90 A HN 0.495 nan 8.150 nan 0.000 0.442 91 G N -0.348 108.530 108.800 0.131 0.000 2.440 91 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.218 91 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.218 91 G C 1.748 176.625 174.900 -0.037 0.000 1.154 91 G CA 1.578 46.495 45.100 -0.304 0.000 0.767 91 G HN 0.792 nan 8.290 nan 0.000 0.552 92 A N 0.767 123.602 122.820 0.026 0.000 1.877 92 A HA 0.035 4.355 4.320 -0.000 0.000 0.216 92 A C 2.419 180.038 177.584 0.059 0.000 1.186 92 A CA 1.370 53.413 52.037 0.011 0.000 0.620 92 A CB -0.363 18.660 19.000 0.038 0.000 0.822 92 A HN 0.383 nan 8.150 nan 0.000 0.443 93 I N -0.397 120.267 120.570 0.155 0.000 2.226 93 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 93 I C 2.291 178.571 176.117 0.273 0.000 1.100 93 I CA 1.107 62.555 61.300 0.248 0.000 1.374 93 I CB -0.321 37.831 38.000 0.252 0.000 1.057 93 I HN 0.149 nan 8.210 nan 0.000 0.413 94 V N 1.034 121.111 119.914 0.272 0.000 2.427 94 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 94 V C 2.704 178.986 176.094 0.313 0.000 1.051 94 V CA 1.854 64.361 62.300 0.345 0.000 1.048 94 V CB -0.969 31.120 31.823 0.444 0.000 0.666 94 V HN 0.474 nan 8.190 nan 0.000 0.456 95 A N 0.180 123.042 122.820 0.070 0.000 1.898 95 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 95 A C 2.451 179.958 177.584 -0.129 0.000 1.181 95 A CA 1.929 53.750 52.037 -0.360 0.000 0.620 95 A CB -0.788 17.756 19.000 -0.761 0.000 0.819 95 A HN 0.554 nan 8.150 nan 0.000 0.442 96 A N -0.095 122.652 122.820 -0.122 0.000 1.940 96 A HA 0.097 4.417 4.320 -0.000 0.000 0.219 96 A C 2.468 179.807 177.584 -0.409 0.000 1.176 96 A CA 2.230 54.134 52.037 -0.223 0.000 0.631 96 A CB -0.931 18.015 19.000 -0.090 0.000 0.814 96 A HN 1.065 nan 8.150 nan 0.000 0.446 97 A N -0.491 122.158 122.820 -0.286 0.000 1.929 97 A HA 0.269 4.588 4.320 -0.000 0.000 0.216 97 A C 2.458 180.114 177.584 0.121 0.000 1.176 97 A CA 1.791 53.733 52.037 -0.158 0.000 0.628 97 A CB -0.830 18.352 19.000 0.304 0.000 0.816 97 A HN 0.977 nan 8.150 nan 0.000 0.444 98 A N -0.096 122.860 122.820 0.226 0.000 1.897 98 A HA 0.034 4.354 4.320 -0.000 0.000 0.215 98 A C 2.130 179.924 177.584 0.350 0.000 1.181 98 A CA 1.288 53.540 52.037 0.358 0.000 0.620 98 A CB -0.599 18.723 19.000 0.537 0.000 0.821 98 A HN 0.443 nan 8.150 nan 0.000 0.443 99 L N -1.995 119.366 121.223 0.231 0.000 2.042 99 L HA -0.242 4.097 4.340 -0.000 0.000 0.210 99 L C 2.604 179.593 176.870 0.199 0.000 1.076 99 L CA 2.046 56.940 54.840 0.090 0.000 0.749 99 L CB -0.710 41.230 42.059 -0.200 0.000 0.893 99 L HN 0.603 nan 8.230 nan 0.000 0.432 100 Y N 0.268 120.587 120.300 0.033 0.000 2.128 100 Y HA -0.262 4.288 4.550 -0.000 0.000 0.284 100 Y C 2.467 178.377 175.900 0.017 0.000 1.154 100 Y CA 1.797 59.840 58.100 -0.096 0.000 1.149 100 Y CB -0.267 37.967 38.460 -0.377 0.000 0.976 100 Y HN -0.175 nan 8.280 nan 0.000 0.505 101 V N 0.417 120.448 119.914 0.195 0.000 2.332 101 V HA -0.345 3.775 4.120 -0.000 0.000 0.248 101 V C 2.318 178.450 176.094 0.064 0.000 1.055 101 V CA 2.286 64.670 62.300 0.140 0.000 1.038 101 V CB -0.623 31.321 31.823 0.201 0.000 0.651 101 V HN 0.454 nan 8.190 nan 0.000 0.450 102 I N 0.035 120.684 120.570 0.132 0.000 2.286 102 I HA -0.173 3.997 4.170 -0.000 0.000 0.245 102 I C 2.635 178.803 176.117 0.085 0.000 1.104 102 I CA 1.288 62.657 61.300 0.115 0.000 1.397 102 I CB -0.561 37.549 38.000 0.184 0.000 1.072 102 I HN 0.262 nan 8.210 nan 0.000 0.417 103 A N 0.738 123.658 122.820 0.165 0.000 1.908 103 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 103 A C 2.355 179.926 177.584 -0.021 0.000 1.181 103 A CA 2.530 54.671 52.037 0.173 0.000 0.627 103 A CB -1.329 17.747 19.000 0.128 0.000 0.818 103 A HN 0.524 nan 8.150 nan 0.000 0.445 104 T N -2.924 111.523 114.554 -0.178 0.000 3.160 104 T HA 0.176 4.526 4.350 -0.000 0.000 0.257 104 T C 1.445 176.098 174.700 -0.078 0.000 1.147 104 T CA 0.953 62.943 62.100 -0.184 0.000 1.064 104 T CB -0.350 68.321 68.868 -0.328 0.000 0.949 104 T HN 0.421 nan 8.240 nan 0.000 0.526 105 G N 0.936 109.710 108.800 -0.043 0.000 2.882 105 G HA2 0.031 3.991 3.960 -0.000 0.000 0.206 105 G HA3 0.031 3.991 3.960 -0.000 0.000 0.206 105 G C 0.328 175.218 174.900 -0.016 0.000 1.155 105 G CA -0.309 44.778 45.100 -0.021 0.000 0.800 105 G HN 0.598 nan 8.290 nan 0.000 0.524 106 K N 0.940 121.333 120.400 -0.013 0.000 2.339 106 K HA 0.604 4.924 4.320 -0.000 0.000 0.264 106 K C 0.193 176.791 176.600 -0.003 0.000 0.986 106 K CA -0.866 55.422 56.287 0.001 0.000 0.866 106 K CB 1.109 33.624 32.500 0.025 0.000 1.103 106 K HN -0.012 nan 8.250 nan 0.000 0.441 107 A N 2.985 125.804 122.820 -0.001 0.000 2.567 107 A HA 0.294 4.614 4.320 -0.000 0.000 0.240 107 A C 1.137 178.720 177.584 -0.001 0.000 1.053 107 A CA 0.919 52.955 52.037 -0.002 0.000 0.755 107 A CB -0.584 18.416 19.000 0.001 0.000 0.978 107 A HN 1.185 nan 8.150 nan 0.000 0.507 108 G N 1.738 110.537 108.800 -0.002 0.000 2.283 108 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.280 108 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.280 108 G C 0.265 175.167 174.900 0.002 0.000 1.029 108 G CA 0.518 45.619 45.100 0.001 0.000 0.840 108 G HN 1.279 nan 8.290 nan 0.000 0.505 109 I N -0.007 120.562 120.570 -0.002 0.000 2.634 109 I HA 0.286 4.456 4.170 -0.000 0.000 0.284 109 I C -0.279 175.842 176.117 0.007 0.000 1.124 109 I CA -0.442 60.861 61.300 0.006 0.000 1.417 109 I CB 0.696 38.700 38.000 0.008 0.000 1.396 109 I HN 0.067 nan 8.210 nan 0.000 0.571 110 D N 6.934 127.347 120.400 0.023 0.000 2.373 110 D HA 0.127 4.767 4.640 -0.000 0.000 0.227 110 D C 0.646 176.978 176.300 0.053 0.000 1.091 110 D CA -0.427 53.594 54.000 0.035 0.000 0.840 110 D CB 1.480 42.306 40.800 0.043 0.000 1.060 110 D HN 0.397 nan 8.370 nan 0.000 0.502 111 L N 3.673 124.922 121.223 0.044 0.000 2.201 111 L HA 0.104 4.444 4.340 -0.000 0.000 0.212 111 L C 1.946 178.910 176.870 0.158 0.000 1.105 111 L CA 1.562 56.450 54.840 0.080 0.000 0.775 111 L CB -1.389 40.648 42.059 -0.037 0.000 0.913 111 L HN 0.820 nan 8.230 nan 0.000 0.440 112 G N -0.561 108.324 108.800 0.141 0.000 2.583 112 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.292 112 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.292 112 G C 1.038 176.095 174.900 0.261 0.000 1.203 112 G CA 0.265 45.475 45.100 0.184 0.000 0.987 112 G HN 0.513 nan 8.290 nan 0.000 0.554 113 G N -1.138 107.849 108.800 0.311 0.000 2.598 113 G HA2 0.325 4.285 3.960 -0.000 0.000 0.215 113 G HA3 0.325 4.285 3.960 -0.000 0.000 0.215 113 G C 0.969 176.060 174.900 0.318 0.000 1.131 113 G CA 0.822 46.168 45.100 0.410 0.000 0.785 113 G HN 1.943 nan 8.290 nan 0.000 0.539 114 F N -0.475 119.517 119.950 0.069 0.000 3.090 114 F HA -0.283 4.243 4.527 -0.000 0.000 0.282 114 F C 1.464 177.241 175.800 -0.038 0.000 0.923 114 F CA 0.438 58.437 58.000 -0.000 0.000 0.977 114 F CB -1.165 37.847 39.000 0.021 0.000 0.954 114 F HN 1.107 nan 8.300 nan 0.000 0.695 115 A N -0.561 122.220 122.820 -0.065 0.000 2.899 115 A HA -0.228 4.092 4.320 -0.000 0.000 0.257 115 A C 1.092 178.597 177.584 -0.132 0.000 1.335 115 A CA 1.170 53.124 52.037 -0.138 0.000 0.924 115 A CB -2.125 16.714 19.000 -0.269 0.000 1.105 115 A HN 1.177 nan 8.150 nan 0.000 0.765 116 S N 0.381 116.049 115.700 -0.054 0.000 2.568 116 S HA 0.312 4.782 4.470 -0.000 0.000 0.282 116 S C 0.519 175.079 174.600 -0.067 0.000 1.338 116 S CA 0.156 58.297 58.200 -0.098 0.000 1.045 116 S CB 0.254 63.340 63.200 -0.190 0.000 0.873 116 S HN 0.655 nan 8.310 nan 0.000 0.516 117 N N 0.463 118.985 118.700 -0.297 0.000 2.530 117 N HA 0.614 5.353 4.740 -0.000 0.000 0.277 117 N C 0.230 175.662 175.510 -0.130 0.000 1.168 117 N CA -0.160 52.576 53.050 -0.523 0.000 0.979 117 N CB 0.986 38.623 38.487 -1.417 0.000 1.141 117 N HN 0.683 nan 8.380 nan 0.000 0.459 118 G N -0.104 108.791 108.800 0.159 0.000 2.687 118 G HA2 0.578 4.537 3.960 -0.000 0.000 0.291 118 G HA3 0.578 4.537 3.960 -0.000 0.000 0.291 118 G C -1.942 173.227 174.900 0.448 0.000 1.420 118 G CA -0.622 44.769 45.100 0.486 0.000 0.796 118 G HN 0.564 nan 8.290 nan 0.000 0.485 119 Y N -2.594 117.889 120.300 0.306 0.000 2.715 119 Y HA 0.789 5.339 4.550 -0.000 0.000 0.331 119 Y C 1.176 177.143 175.900 0.111 0.000 1.197 119 Y CA -0.536 57.669 58.100 0.176 0.000 1.079 119 Y CB 0.669 39.196 38.460 0.111 0.000 1.298 119 Y HN 1.889 nan 8.280 nan 0.000 0.477 120 G N 0.635 109.625 108.800 0.317 0.000 2.690 120 G HA2 -0.484 3.476 3.960 -0.000 0.000 0.334 120 G HA3 -0.484 3.476 3.960 -0.000 0.000 0.334 120 G C 1.141 176.005 174.900 -0.061 0.000 1.250 120 G CA 1.212 46.390 45.100 0.130 0.000 0.994 120 G HN 1.096 nan 8.290 nan 0.000 0.549 121 E N 0.062 120.134 120.200 -0.213 0.000 2.265 121 E HA -0.136 4.214 4.350 -0.000 0.000 0.196 121 E C 1.645 177.850 176.600 -0.657 0.000 0.996 121 E CA 1.148 57.284 56.400 -0.441 0.000 0.832 121 E CB -0.126 29.214 29.700 -0.600 0.000 0.756 121 E HN 0.714 nan 8.360 nan 0.000 0.491 122 H N -0.735 118.103 119.070 -0.387 0.000 2.542 122 H HA 0.138 4.694 4.556 -0.000 0.000 0.283 122 H C 0.184 175.346 175.328 -0.275 0.000 1.059 122 H CA 0.040 55.735 56.048 -0.587 0.000 1.162 122 H CB 0.552 29.555 29.762 -1.265 0.000 1.539 122 H HN -0.053 nan 8.280 nan 0.000 0.543 123 S N 2.234 117.917 115.700 -0.029 0.000 2.499 123 S HA 0.109 4.579 4.470 -0.000 0.000 0.275 123 S C -1.484 173.145 174.600 0.047 0.000 1.257 123 S CA -1.276 56.968 58.200 0.073 0.000 1.050 123 S CB 1.423 64.730 63.200 0.178 0.000 0.937 123 S HN -0.046 nan 8.310 nan 0.000 0.490 124 P HA -0.041 nan 4.420 nan 0.000 0.217 124 P C 1.029 178.400 177.300 0.118 0.000 1.148 124 P CA 1.386 64.538 63.100 0.088 0.000 0.834 124 P CB -0.013 31.742 31.700 0.091 0.000 0.783 125 G N -2.888 106.023 108.800 0.185 0.000 3.277 125 G HA2 0.362 4.322 3.960 -0.000 0.000 0.243 125 G HA3 0.362 4.322 3.960 -0.000 0.000 0.243 125 G C 0.861 175.747 174.900 -0.022 0.000 1.107 125 G CA 0.266 45.467 45.100 0.167 0.000 0.771 125 G HN 0.379 nan 8.290 nan 0.000 0.544 126 G N -0.593 108.221 108.800 0.024 0.000 2.147 126 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.244 126 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.244 126 G C 0.098 174.945 174.900 -0.087 0.000 1.005 126 G CA -0.056 45.005 45.100 -0.065 0.000 0.713 126 G HN 0.434 nan 8.290 nan 0.000 0.515 127 Y N 1.516 121.827 120.300 0.019 0.000 2.336 127 Y HA 0.449 4.999 4.550 -0.000 0.000 0.331 127 Y C 1.534 177.471 175.900 0.062 0.000 1.211 127 Y CA 0.238 58.356 58.100 0.031 0.000 1.346 127 Y CB 0.951 39.427 38.460 0.026 0.000 1.271 127 Y HN 0.414 nan 8.280 nan 0.000 0.538 128 S N 2.544 118.363 115.700 0.198 0.000 2.600 128 S HA 0.038 4.508 4.470 -0.000 0.000 0.265 128 S C 1.193 175.881 174.600 0.147 0.000 1.325 128 S CA -0.759 57.532 58.200 0.151 0.000 1.002 128 S CB 0.584 63.841 63.200 0.094 0.000 0.921 128 S HN 0.897 nan 8.310 nan 0.000 0.554 129 L N 1.615 122.909 121.223 0.119 0.000 2.051 129 L HA -0.149 4.191 4.340 -0.000 0.000 0.214 129 L C 2.286 179.070 176.870 -0.142 0.000 1.076 129 L CA 1.801 56.546 54.840 -0.158 0.000 0.758 129 L CB -0.552 41.371 42.059 -0.226 0.000 0.890 129 L HN 0.728 nan 8.230 nan 0.000 0.433 130 V N -1.095 118.796 119.914 -0.038 0.000 2.358 130 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 130 V C 2.561 178.645 176.094 -0.016 0.000 1.047 130 V CA 1.870 64.153 62.300 -0.028 0.000 1.035 130 V CB -0.288 31.537 31.823 0.004 0.000 0.658 130 V HN 0.445 nan 8.190 nan 0.000 0.452 131 S N 0.310 116.028 115.700 0.030 0.000 2.359 131 S HA -0.241 4.229 4.470 -0.000 0.000 0.224 131 S C 2.248 176.835 174.600 -0.022 0.000 1.035 131 S CA 1.607 59.830 58.200 0.038 0.000 1.018 131 S CB -0.561 62.731 63.200 0.153 0.000 0.876 131 S HN 0.666 nan 8.310 nan 0.000 0.448 132 A N 1.199 124.010 122.820 -0.016 0.000 1.883 132 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 132 A C 2.152 179.666 177.584 -0.117 0.000 1.186 132 A CA 1.614 53.625 52.037 -0.044 0.000 0.624 132 A CB -0.796 18.198 19.000 -0.011 0.000 0.822 132 A HN 0.426 nan 8.150 nan 0.000 0.444 133 L N -0.280 120.843 121.223 -0.166 0.000 2.017 133 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 133 L C 2.371 179.190 176.870 -0.085 0.000 1.073 133 L CA 1.787 56.531 54.840 -0.160 0.000 0.745 133 L CB -0.374 41.602 42.059 -0.140 0.000 0.894 133 L HN 0.421 nan 8.230 nan 0.000 0.432 134 L N -1.099 120.090 121.223 -0.056 0.000 2.056 134 L HA -0.221 4.119 4.340 -0.000 0.000 0.207 134 L C 2.545 179.396 176.870 -0.031 0.000 1.078 134 L CA 1.554 56.376 54.840 -0.030 0.000 0.749 134 L CB -0.452 41.597 42.059 -0.017 0.000 0.901 134 L HN 0.332 nan 8.230 nan 0.000 0.433 135 I N -0.493 120.044 120.570 -0.056 0.000 2.353 135 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 135 I C 2.499 178.576 176.117 -0.066 0.000 1.119 135 I CA 1.026 62.282 61.300 -0.072 0.000 1.417 135 I CB 0.032 37.957 38.000 -0.125 0.000 1.078 135 I HN 0.296 nan 8.210 nan 0.000 0.421 136 E N 0.742 120.905 120.200 -0.062 0.000 2.106 136 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 136 E C 2.232 178.817 176.600 -0.026 0.000 0.984 136 E CA 1.236 57.605 56.400 -0.051 0.000 0.806 136 E CB -0.073 29.608 29.700 -0.031 0.000 0.750 136 E HN 0.564 nan 8.360 nan 0.000 0.458 137 I N 0.904 121.464 120.570 -0.016 0.000 2.142 137 I HA -0.270 3.900 4.170 -0.000 0.000 0.240 137 I C 2.495 178.643 176.117 0.051 0.000 1.078 137 I CA 0.931 62.239 61.300 0.013 0.000 1.343 137 I CB -0.268 37.738 38.000 0.010 0.000 1.046 137 I HN 0.027 nan 8.210 nan 0.000 0.405 138 I N 0.606 121.213 120.570 0.061 0.000 2.099 138 I HA -0.345 3.824 4.170 -0.000 0.000 0.239 138 I C 2.494 178.737 176.117 0.209 0.000 1.066 138 I CA 1.710 63.097 61.300 0.145 0.000 1.324 138 I CB -0.418 37.647 38.000 0.108 0.000 1.037 138 I HN 0.192 nan 8.210 nan 0.000 0.401 139 L N -0.110 121.170 121.223 0.095 0.000 2.042 139 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 139 L C 2.599 179.538 176.870 0.116 0.000 1.076 139 L CA 1.656 56.539 54.840 0.071 0.000 0.749 139 L CB -1.092 40.922 42.059 -0.075 0.000 0.893 139 L HN 0.323 nan 8.230 nan 0.000 0.432 140 T N -0.182 114.417 114.554 0.076 0.000 2.821 140 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 140 T C 2.061 176.851 174.700 0.151 0.000 1.046 140 T CA 1.097 63.267 62.100 0.118 0.000 1.139 140 T CB -0.165 68.738 68.868 0.059 0.000 0.871 140 T HN 0.434 nan 8.240 nan 0.000 0.454 141 A N 1.082 123.967 122.820 0.108 0.000 1.877 141 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 141 A C 1.961 179.536 177.584 -0.017 0.000 1.186 141 A CA 1.336 53.388 52.037 0.025 0.000 0.620 141 A CB -1.084 17.909 19.000 -0.012 0.000 0.822 141 A HN 0.469 nan 8.150 nan 0.000 0.443 142 F N -1.718 118.280 119.950 0.080 0.000 2.216 142 F HA -0.111 4.416 4.527 -0.000 0.000 0.300 142 F C 1.988 177.860 175.800 0.120 0.000 1.085 142 F CA 1.318 59.372 58.000 0.089 0.000 1.326 142 F CB -0.374 38.670 39.000 0.073 0.000 1.027 142 F HN 0.336 nan 8.300 nan 0.000 0.497 143 F N 0.388 120.398 119.950 0.101 0.000 2.134 143 F HA -0.195 4.332 4.527 -0.000 0.000 0.299 143 F C 1.921 177.685 175.800 -0.060 0.000 1.097 143 F CA 1.474 59.485 58.000 0.018 0.000 1.264 143 F CB -0.805 38.189 39.000 -0.011 0.000 1.001 143 F HN -0.142 nan 8.300 nan 0.000 0.479 144 L N -0.458 120.718 121.223 -0.079 0.000 2.056 144 L HA -0.217 4.123 4.340 -0.000 0.000 0.207 144 L C 2.439 179.112 176.870 -0.328 0.000 1.078 144 L CA 0.639 55.320 54.840 -0.265 0.000 0.749 144 L CB -0.708 41.250 42.059 -0.170 0.000 0.901 144 L HN 0.046 nan 8.230 nan 0.000 0.433 145 I N -0.779 119.659 120.570 -0.220 0.000 2.118 145 I HA -0.291 3.879 4.170 -0.000 0.000 0.241 145 I C 2.544 178.437 176.117 -0.374 0.000 1.070 145 I CA 1.425 62.568 61.300 -0.261 0.000 1.327 145 I CB -1.147 36.795 38.000 -0.097 0.000 1.034 145 I HN 0.038 nan 8.210 nan 0.000 0.405 146 V N 1.179 120.994 119.914 -0.166 0.000 2.282 146 V HA -0.293 3.827 4.120 -0.000 0.000 0.249 146 V C 2.513 178.426 176.094 -0.301 0.000 1.057 146 V CA 1.888 64.096 62.300 -0.153 0.000 1.032 146 V CB -0.488 31.340 31.823 0.008 0.000 0.645 146 V HN 0.287 nan 8.190 nan 0.000 0.447 147 I N -0.656 119.668 120.570 -0.410 0.000 2.142 147 I HA -0.268 3.901 4.170 -0.000 0.000 0.240 147 I C 2.352 178.186 176.117 -0.472 0.000 1.078 147 I CA 1.698 62.727 61.300 -0.451 0.000 1.343 147 I CB -0.347 37.309 38.000 -0.574 0.000 1.046 147 I HN 0.237 nan 8.210 nan 0.000 0.405 148 L N 0.247 121.074 121.223 -0.659 0.000 2.017 148 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 148 L C 2.714 178.995 176.870 -0.982 0.000 1.073 148 L CA 1.711 56.030 54.840 -0.869 0.000 0.745 148 L CB -1.252 39.969 42.059 -1.397 0.000 0.894 148 L HN 0.328 nan 8.230 nan 0.000 0.432 149 G N -0.233 107.777 108.800 -1.318 0.000 2.476 149 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.218 149 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.218 149 G C 1.757 176.531 174.900 -0.210 0.000 1.164 149 G CA 1.197 45.852 45.100 -0.743 0.000 0.768 149 G HN 0.510 nan 8.290 nan 0.000 0.560 150 S N 0.153 115.734 115.700 -0.199 0.000 2.461 150 S HA -0.050 4.419 4.470 -0.000 0.000 0.228 150 S C 2.008 176.594 174.600 -0.023 0.000 1.005 150 S CA 1.663 59.826 58.200 -0.061 0.000 0.942 150 S CB -0.421 62.745 63.200 -0.057 0.000 0.776 150 S HN 0.495 nan 8.310 nan 0.000 0.514 151 T N -1.424 113.084 114.554 -0.076 0.000 3.122 151 T HA 0.188 4.538 4.350 -0.000 0.000 0.250 151 T C 0.518 175.236 174.700 0.029 0.000 1.067 151 T CA -0.527 61.552 62.100 -0.036 0.000 0.966 151 T CB -0.552 68.262 68.868 -0.091 0.000 1.002 151 T HN 0.547 nan 8.240 nan 0.000 0.542 152 H N 0.849 119.908 119.070 -0.018 0.000 2.679 152 H HA 0.290 4.845 4.556 -0.000 0.000 0.369 152 H C 1.632 176.996 175.328 0.060 0.000 1.178 152 H CA 0.765 56.849 56.048 0.060 0.000 1.419 152 H CB 1.227 31.087 29.762 0.164 0.000 1.458 152 H HN 0.278 nan 8.280 nan 0.000 0.605 153 G N 2.973 111.563 108.800 -0.350 0.000 2.498 153 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.219 153 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.219 153 G C 1.587 176.530 174.900 0.072 0.000 1.119 153 G CA 0.593 45.614 45.100 -0.133 0.000 0.766 153 G HN 0.756 nan 8.290 nan 0.000 0.552 154 R N -0.276 120.413 120.500 0.315 0.000 2.307 154 R HA 0.179 4.518 4.340 -0.000 0.000 0.199 154 R C -0.210 176.193 176.300 0.172 0.000 1.000 154 R CA 0.145 56.399 56.100 0.257 0.000 1.023 154 R CB -0.129 30.352 30.300 0.302 0.000 0.908 154 R HN 0.134 nan 8.270 nan 0.000 0.473 155 V N 3.037 123.055 119.914 0.173 0.000 2.398 155 V HA 0.330 4.450 4.120 -0.000 0.000 0.286 155 V C -2.165 174.019 176.094 0.151 0.000 1.026 155 V CA -2.487 59.893 62.300 0.134 0.000 0.868 155 V CB 1.506 33.405 31.823 0.127 0.000 0.982 155 V HN 0.107 nan 8.190 nan 0.000 0.443 156 P HA 0.221 nan 4.420 nan 0.000 0.268 156 P C -0.178 177.289 177.300 0.280 0.000 1.205 156 P CA -0.001 63.238 63.100 0.233 0.000 0.771 156 P CB 0.469 32.358 31.700 0.317 0.000 0.858 157 A N 2.318 125.233 122.820 0.160 0.000 2.498 157 A HA 0.439 4.759 4.320 -0.000 0.000 0.239 157 A C 1.496 179.097 177.584 0.027 0.000 1.068 157 A CA 0.822 52.915 52.037 0.094 0.000 0.766 157 A CB -1.070 17.960 19.000 0.050 0.000 1.003 157 A HN 0.874 nan 8.150 nan 0.000 0.497 158 G N 0.050 108.850 108.800 -0.001 0.000 2.238 158 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 158 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 158 G C 0.538 175.377 174.900 -0.102 0.000 0.996 158 G CA 0.631 45.694 45.100 -0.062 0.000 0.632 158 G HN 0.661 nan 8.290 nan 0.000 0.503 159 F N 1.639 121.646 119.950 0.094 0.000 2.569 159 F HA 0.480 5.006 4.527 -0.000 0.000 0.295 159 F C 2.800 178.608 175.800 0.012 0.000 1.115 159 F CA 1.358 59.409 58.000 0.085 0.000 1.450 159 F CB -0.263 38.778 39.000 0.068 0.000 1.107 159 F HN 0.310 nan 8.300 nan 0.000 0.563 160 A N 0.874 123.758 122.820 0.108 0.000 1.948 160 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 160 A C -0.251 177.285 177.584 -0.079 0.000 1.177 160 A CA 1.756 53.792 52.037 -0.002 0.000 0.636 160 A CB -1.906 17.065 19.000 -0.049 0.000 0.815 160 A HN 0.216 nan 8.150 nan 0.000 0.449 161 P HA -0.095 nan 4.420 nan 0.000 0.217 161 P C 1.317 178.573 177.300 -0.074 0.000 1.150 161 P CA 0.822 63.736 63.100 -0.310 0.000 0.832 161 P CB -0.065 31.005 31.700 -1.051 0.000 0.787 162 I N -0.681 119.911 120.570 0.037 0.000 2.202 162 I HA -0.239 3.930 4.170 -0.000 0.000 0.242 162 I C 2.342 178.535 176.117 0.127 0.000 1.091 162 I CA 1.423 62.818 61.300 0.158 0.000 1.368 162 I CB -0.810 37.343 38.000 0.255 0.000 1.058 162 I HN -0.096 nan 8.210 nan 0.000 0.410 163 A N 0.965 123.851 122.820 0.110 0.000 1.865 163 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 163 A C 2.274 179.912 177.584 0.090 0.000 1.191 163 A CA 1.798 53.888 52.037 0.088 0.000 0.623 163 A CB -0.889 18.146 19.000 0.058 0.000 0.826 163 A HN 0.395 nan 8.150 nan 0.000 0.444 164 I N -0.634 119.971 120.570 0.058 0.000 2.406 164 I HA -0.081 4.088 4.170 -0.000 0.000 0.249 164 I C 2.680 178.947 176.117 0.250 0.000 1.122 164 I CA 0.806 62.162 61.300 0.093 0.000 1.431 164 I CB -0.572 37.398 38.000 -0.049 0.000 1.087 164 I HN 0.387 nan 8.210 nan 0.000 0.424 165 G N 1.391 110.299 108.800 0.179 0.000 2.480 165 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 165 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 165 G C 1.660 176.661 174.900 0.169 0.000 1.200 165 G CA 0.637 45.852 45.100 0.191 0.000 0.782 165 G HN 0.270 nan 8.290 nan 0.000 0.554 166 L N 0.796 122.104 121.223 0.141 0.000 2.275 166 L HA 0.030 4.370 4.340 -0.000 0.000 0.215 166 L C 3.316 180.257 176.870 0.118 0.000 1.119 166 L CA 0.609 55.518 54.840 0.114 0.000 0.790 166 L CB -0.301 41.818 42.059 0.101 0.000 0.919 166 L HN 0.324 nan 8.230 nan 0.000 0.443 167 A N 0.111 123.031 122.820 0.166 0.000 1.930 167 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 167 A C 2.186 179.843 177.584 0.120 0.000 1.175 167 A CA 1.310 53.455 52.037 0.180 0.000 0.627 167 A CB -0.480 18.680 19.000 0.268 0.000 0.815 167 A HN 0.313 nan 8.150 nan 0.000 0.443 168 L N -0.357 120.946 121.223 0.134 0.000 2.141 168 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 168 L C 2.398 179.308 176.870 0.067 0.000 1.094 168 L CA 2.575 57.380 54.840 -0.058 0.000 0.763 168 L CB -1.076 40.968 42.059 -0.026 0.000 0.908 168 L HN 0.346 nan 8.230 nan 0.000 0.437 169 T N -0.242 114.353 114.554 0.068 0.000 2.708 169 T HA -0.171 4.179 4.350 -0.000 0.000 0.266 169 T C 1.795 176.529 174.700 0.056 0.000 1.037 169 T CA 1.624 63.755 62.100 0.052 0.000 1.146 169 T CB -0.377 68.517 68.868 0.044 0.000 0.865 169 T HN 0.332 nan 8.240 nan 0.000 0.435 170 L N 1.460 122.705 121.223 0.037 0.000 2.042 170 L HA -0.073 4.267 4.340 -0.000 0.000 0.210 170 L C 2.000 178.851 176.870 -0.031 0.000 1.076 170 L CA 1.655 56.501 54.840 0.009 0.000 0.749 170 L CB -0.910 41.156 42.059 0.011 0.000 0.893 170 L HN 0.144 nan 8.230 nan 0.000 0.432 171 I N -0.251 120.283 120.570 -0.061 0.000 2.264 171 I HA -0.294 3.875 4.170 -0.000 0.000 0.248 171 I C 2.659 178.642 176.117 -0.223 0.000 1.111 171 I CA 1.448 62.645 61.300 -0.171 0.000 1.382 171 I CB -1.578 36.248 38.000 -0.291 0.000 1.060 171 I HN 0.465 nan 8.210 nan 0.000 0.418 172 H N 0.110 119.049 119.070 -0.219 0.000 2.395 172 H HA -0.004 4.552 4.556 -0.000 0.000 0.299 172 H C 2.395 177.618 175.328 -0.174 0.000 1.070 172 H CA 0.985 56.888 56.048 -0.242 0.000 1.356 172 H CB 0.126 29.747 29.762 -0.235 0.000 1.401 172 H HN 0.274 nan 8.280 nan 0.000 0.524 173 L N 0.396 121.628 121.223 0.016 0.000 2.127 173 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 173 L C 2.361 179.207 176.870 -0.039 0.000 1.089 173 L CA 0.968 55.812 54.840 0.006 0.000 0.757 173 L CB -0.307 41.764 42.059 0.019 0.000 0.899 173 L HN 0.199 nan 8.230 nan 0.000 0.434 174 I N -0.860 119.659 120.570 -0.086 0.000 2.277 174 I HA -0.180 3.989 4.170 -0.000 0.000 0.243 174 I C 2.220 178.236 176.117 -0.168 0.000 1.094 174 I CA 1.538 62.770 61.300 -0.113 0.000 1.393 174 I CB -0.099 37.823 38.000 -0.131 0.000 1.078 174 I HN 0.269 nan 8.210 nan 0.000 0.417 175 S N -0.726 114.835 115.700 -0.233 0.000 2.603 175 S HA 0.288 4.757 4.470 -0.000 0.000 0.232 175 S C 1.615 176.009 174.600 -0.344 0.000 1.016 175 S CA -0.400 57.625 58.200 -0.292 0.000 0.976 175 S CB -0.262 62.760 63.200 -0.298 0.000 0.921 175 S HN 0.267 nan 8.310 nan 0.000 0.516 176 I N 2.293 122.632 120.570 -0.385 0.000 2.264 176 I HA -0.060 4.110 4.170 -0.000 0.000 0.248 176 I C -1.016 174.794 176.117 -0.511 0.000 1.111 176 I CA 1.020 61.999 61.300 -0.535 0.000 1.382 176 I CB -1.040 36.466 38.000 -0.823 0.000 1.060 176 I HN 0.247 nan 8.210 nan 0.000 0.418 177 P HA -0.090 nan 4.420 nan 0.000 0.222 177 P C 1.639 178.894 177.300 -0.075 0.000 1.147 177 P CA 1.008 64.037 63.100 -0.119 0.000 0.790 177 P CB 0.157 31.890 31.700 0.056 0.000 0.780 178 V N -1.192 118.561 119.914 -0.268 0.000 2.492 178 V HA -0.043 4.077 4.120 -0.000 0.000 0.241 178 V C 1.894 177.940 176.094 -0.081 0.000 1.041 178 V CA 2.285 64.375 62.300 -0.350 0.000 1.057 178 V CB -1.198 30.285 31.823 -0.567 0.000 0.711 178 V HN 0.219 nan 8.190 nan 0.000 0.468 179 T N -5.049 109.435 114.554 -0.116 0.000 3.144 179 T HA 0.222 4.572 4.350 -0.000 0.000 0.290 179 T C 0.741 175.334 174.700 -0.178 0.000 0.966 179 T CA 0.274 62.356 62.100 -0.030 0.000 0.907 179 T CB 0.113 69.023 68.868 0.070 0.000 1.152 179 T HN 0.219 nan 8.240 nan 0.000 0.532 180 N N 0.772 119.321 118.700 -0.252 0.000 2.900 180 N HA -0.163 4.577 4.740 -0.000 0.000 0.240 180 N C -0.559 174.697 175.510 -0.423 0.000 0.953 180 N CA 1.874 54.731 53.050 -0.323 0.000 0.950 180 N CB -1.937 36.413 38.487 -0.228 0.000 1.102 180 N HN 0.802 nan 8.380 nan 0.000 0.593 181 T N -1.674 112.608 114.554 -0.454 0.000 1.377 181 T HA -0.156 4.194 4.350 -0.000 0.000 0.677 181 T C 0.720 175.047 174.700 -0.622 0.000 0.963 181 T CA 1.031 62.767 62.100 -0.606 0.000 3.590 181 T CB -1.051 67.190 68.868 -1.045 0.000 2.055 181 T HN 0.488 nan 8.240 nan 0.000 0.401 182 S N 2.361 117.780 115.700 -0.469 0.000 2.432 182 S HA 0.252 4.722 4.470 -0.000 0.000 0.203 182 S C 2.138 176.529 174.600 -0.349 0.000 0.987 182 S CA 1.584 59.539 58.200 -0.408 0.000 0.908 182 S CB -0.210 62.813 63.200 -0.294 0.000 0.883 182 S HN 2.304 nan 8.310 nan 0.000 0.577 183 V N 1.073 120.841 119.914 -0.243 0.000 3.473 183 V HA -0.166 3.954 4.120 -0.000 0.000 0.186 183 V C -0.551 175.455 176.094 -0.147 0.000 0.493 183 V CA 1.588 63.770 62.300 -0.195 0.000 1.050 183 V CB -2.822 28.816 31.823 -0.308 0.000 1.180 183 V HN 0.737 nan 8.190 nan 0.000 1.120 184 N N -0.587 118.013 118.700 -0.166 0.000 2.976 184 N HA 0.364 5.104 4.740 -0.000 0.000 0.249 184 N C -1.933 173.406 175.510 -0.283 0.000 1.258 184 N CA -0.683 52.271 53.050 -0.159 0.000 0.864 184 N CB 1.967 40.391 38.487 -0.106 0.000 1.551 184 N HN 0.111 nan 8.380 nan 0.000 0.607 185 P HA -0.032 nan 4.420 nan 0.000 0.216 185 P C 1.137 177.958 177.300 -0.798 0.000 1.153 185 P CA 1.500 64.000 63.100 -1.000 0.000 0.848 185 P CB 0.345 30.953 31.700 -1.820 0.000 0.787 186 A N 0.394 122.922 122.820 -0.486 0.000 1.908 186 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 186 A C 2.409 179.941 177.584 -0.087 0.000 1.181 186 A CA 1.613 53.558 52.037 -0.153 0.000 0.627 186 A CB -1.187 17.797 19.000 -0.025 0.000 0.818 186 A HN 0.019 nan 8.150 nan 0.000 0.445 187 R N 0.109 120.541 120.500 -0.113 0.000 2.148 187 R HA -0.033 4.307 4.340 -0.000 0.000 0.227 187 R C 1.731 177.956 176.300 -0.125 0.000 1.103 187 R CA 1.780 57.831 56.100 -0.081 0.000 0.983 187 R CB -0.522 29.751 30.300 -0.046 0.000 0.874 187 R HN 0.452 nan 8.270 nan 0.000 0.451 188 S N -0.064 115.529 115.700 -0.177 0.000 2.414 188 S HA -0.027 4.443 4.470 -0.000 0.000 0.227 188 S C 1.714 176.291 174.600 -0.038 0.000 1.022 188 S CA 1.395 59.491 58.200 -0.174 0.000 0.958 188 S CB 0.045 63.124 63.200 -0.202 0.000 0.797 188 S HN 0.433 nan 8.310 nan 0.000 0.493 189 T N 1.678 116.254 114.554 0.036 0.000 2.737 189 T HA -0.023 4.327 4.350 -0.000 0.000 0.265 189 T C 2.113 176.904 174.700 0.152 0.000 1.038 189 T CA 1.322 63.534 62.100 0.187 0.000 1.144 189 T CB -0.839 68.229 68.868 0.333 0.000 0.866 189 T HN 0.514 nan 8.240 nan 0.000 0.434 190 G N 1.628 110.504 108.800 0.126 0.000 2.459 190 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.217 190 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.217 190 G C 1.607 176.651 174.900 0.241 0.000 1.183 190 G CA 0.687 45.897 45.100 0.184 0.000 0.776 190 G HN 0.352 nan 8.290 nan 0.000 0.552 191 Q N 0.717 120.563 119.800 0.077 0.000 2.061 191 Q HA -0.058 4.282 4.340 -0.000 0.000 0.204 191 Q C 2.966 179.083 176.000 0.195 0.000 0.984 191 Q CA 1.563 57.420 55.803 0.090 0.000 0.846 191 Q CB -1.119 27.523 28.738 -0.161 0.000 0.902 191 Q HN 0.443 nan 8.270 nan 0.000 0.421 192 A N 0.918 123.764 122.820 0.045 0.000 1.978 192 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 192 A C 2.239 179.820 177.584 -0.005 0.000 1.170 192 A CA 1.121 53.127 52.037 -0.050 0.000 0.636 192 A CB -0.704 18.265 19.000 -0.051 0.000 0.810 192 A HN 0.323 nan 8.150 nan 0.000 0.448 193 L N -2.422 118.852 121.223 0.085 0.000 2.217 193 L HA -0.070 4.270 4.340 -0.000 0.000 0.211 193 L C 2.112 178.903 176.870 -0.132 0.000 1.107 193 L CA 0.849 55.678 54.840 -0.019 0.000 0.783 193 L CB -0.316 41.734 42.059 -0.015 0.000 0.919 193 L HN 0.423 nan 8.230 nan 0.000 0.442 194 F N -1.629 118.311 119.950 -0.017 0.000 2.512 194 F HA -0.061 4.465 4.527 -0.000 0.000 0.296 194 F C 2.079 177.797 175.800 -0.136 0.000 1.110 194 F CA 0.464 58.400 58.000 -0.106 0.000 1.446 194 F CB 0.070 39.017 39.000 -0.089 0.000 1.092 194 F HN -0.219 nan 8.300 nan 0.000 0.554 195 V N -0.936 118.999 119.914 0.035 0.000 2.825 195 V HA 0.219 4.339 4.120 -0.000 0.000 0.246 195 V C 1.738 177.735 176.094 -0.161 0.000 1.068 195 V CA 0.753 63.003 62.300 -0.082 0.000 1.088 195 V CB -0.837 30.862 31.823 -0.207 0.000 0.733 195 V HN 0.463 nan 8.190 nan 0.000 0.468 196 G N 0.139 108.835 108.800 -0.173 0.000 2.578 196 G HA2 0.044 4.004 3.960 -0.000 0.000 0.284 196 G HA3 0.044 4.004 3.960 -0.000 0.000 0.284 196 G C 0.861 175.632 174.900 -0.215 0.000 1.283 196 G CA 0.112 45.116 45.100 -0.160 0.000 0.944 196 G HN 1.624 nan 8.290 nan 0.000 0.558 197 G N -0.578 108.156 108.800 -0.110 0.000 2.652 197 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.318 197 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.318 197 G C 1.418 176.282 174.900 -0.059 0.000 1.295 197 G CA 2.615 47.687 45.100 -0.047 0.000 0.999 197 G HN 2.377 nan 8.290 nan 0.000 0.548 198 W N 0.755 122.008 121.300 -0.079 0.000 2.342 198 W HA 0.082 4.742 4.660 -0.000 0.000 0.297 198 W C 2.402 178.824 176.519 -0.161 0.000 1.213 198 W CA 2.309 59.550 57.345 -0.175 0.000 1.251 198 W CB -1.472 27.684 29.460 -0.507 0.000 1.136 198 W HN 0.980 nan 8.180 nan 0.000 0.526 199 A N 2.137 124.245 122.820 -1.187 0.000 1.883 199 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 199 A C 2.316 179.725 177.584 -0.291 0.000 1.186 199 A CA 2.311 53.690 52.037 -1.097 0.000 0.624 199 A CB -1.155 17.122 19.000 -1.205 0.000 0.822 199 A HN 0.403 nan 8.150 nan 0.000 0.444 200 L N -1.084 120.029 121.223 -0.183 0.000 2.141 200 L HA -0.216 4.123 4.340 -0.000 0.000 0.209 200 L C 2.764 179.710 176.870 0.127 0.000 1.094 200 L CA 1.355 56.197 54.840 0.004 0.000 0.763 200 L CB -0.480 41.575 42.059 -0.008 0.000 0.908 200 L HN 0.486 nan 8.230 nan 0.000 0.437 201 Q N -0.567 119.320 119.800 0.144 0.000 2.230 201 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 201 Q C 1.884 178.151 176.000 0.445 0.000 0.963 201 Q CA 0.933 56.889 55.803 0.255 0.000 0.866 201 Q CB 0.061 28.932 28.738 0.221 0.000 0.931 201 Q HN 0.559 nan 8.270 nan 0.000 0.452 202 Q N -0.153 119.872 119.800 0.375 0.000 2.392 202 Q HA 0.024 4.364 4.340 -0.000 0.000 0.203 202 Q C 1.676 177.843 176.000 0.278 0.000 0.917 202 Q CA -0.034 56.018 55.803 0.416 0.000 0.939 202 Q CB 0.237 29.128 28.738 0.254 0.000 1.063 202 Q HN 0.236 nan 8.270 nan 0.000 0.516 203 L N 1.752 123.184 121.223 0.349 0.000 2.127 203 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 203 L C 2.106 179.188 176.870 0.354 0.000 1.089 203 L CA 1.563 56.635 54.840 0.387 0.000 0.757 203 L CB -0.664 41.606 42.059 0.351 0.000 0.899 203 L HN 0.473 nan 8.230 nan 0.000 0.434 204 W N -1.032 120.426 121.300 0.263 0.000 2.342 204 W HA -0.259 4.401 4.660 -0.000 0.000 0.297 204 W C 1.917 178.515 176.519 0.132 0.000 1.213 204 W CA 0.935 58.398 57.345 0.198 0.000 1.251 204 W CB -1.435 28.084 29.460 0.098 0.000 1.136 204 W HN 0.256 nan 8.180 nan 0.000 0.526 205 L N 0.959 121.274 121.223 -1.513 0.000 2.127 205 L HA -0.109 4.231 4.340 -0.000 0.000 0.211 205 L C 1.917 178.222 176.870 -0.941 0.000 1.089 205 L CA 1.775 55.580 54.840 -1.725 0.000 0.757 205 L CB -1.151 39.626 42.059 -2.137 0.000 0.899 205 L HN -0.140 nan 8.230 nan 0.000 0.434 206 F N -3.191 116.639 119.950 -0.200 0.000 2.765 206 F HA 0.093 4.620 4.527 -0.000 0.000 0.302 206 F C 1.371 177.084 175.800 -0.145 0.000 1.111 206 F CA -0.091 57.822 58.000 -0.146 0.000 1.359 206 F CB -0.647 38.270 39.000 -0.137 0.000 1.097 206 F HN 0.077 nan 8.300 nan 0.000 0.577 207 W N -0.915 120.417 121.300 0.052 0.000 2.678 207 W HA 0.108 4.768 4.660 -0.000 0.000 0.282 207 W C 2.203 178.749 176.519 0.046 0.000 1.137 207 W CA 0.143 57.535 57.345 0.078 0.000 1.515 207 W CB -0.619 28.908 29.460 0.112 0.000 1.101 207 W HN -0.107 nan 8.180 nan 0.000 0.564 208 L N 1.250 122.634 121.223 0.269 0.000 1.994 208 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 208 L C 2.251 179.166 176.870 0.074 0.000 1.071 208 L CA 2.775 57.726 54.840 0.185 0.000 0.745 208 L CB -1.336 40.854 42.059 0.218 0.000 0.892 208 L HN -0.027 nan 8.230 nan 0.000 0.431 209 A N -0.342 122.457 122.820 -0.035 0.000 1.898 209 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 209 A C 0.043 177.622 177.584 -0.008 0.000 1.181 209 A CA 1.630 53.636 52.037 -0.052 0.000 0.620 209 A CB -1.962 16.950 19.000 -0.146 0.000 0.819 209 A HN 0.457 nan 8.150 nan 0.000 0.442 210 P HA -0.066 nan 4.420 nan 0.000 0.219 210 P C 1.366 178.685 177.300 0.030 0.000 1.150 210 P CA 0.736 63.838 63.100 0.003 0.000 0.814 210 P CB -0.076 31.605 31.700 -0.033 0.000 0.787 211 I N -1.365 119.240 120.570 0.059 0.000 2.315 211 I HA -0.160 4.010 4.170 -0.000 0.000 0.248 211 I C 2.056 178.215 176.117 0.069 0.000 1.117 211 I CA 1.240 62.591 61.300 0.085 0.000 1.404 211 I CB -0.547 37.544 38.000 0.151 0.000 1.071 211 I HN -0.164 nan 8.210 nan 0.000 0.419 212 V N 1.028 120.979 119.914 0.063 0.000 2.427 212 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 212 V C 2.585 178.701 176.094 0.038 0.000 1.051 212 V CA 2.048 64.377 62.300 0.050 0.000 1.048 212 V CB -1.171 30.679 31.823 0.046 0.000 0.666 212 V HN 0.535 nan 8.190 nan 0.000 0.456 213 G N 0.101 108.921 108.800 0.033 0.000 2.404 213 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.215 213 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.215 213 G C 1.642 176.561 174.900 0.031 0.000 1.174 213 G CA 0.881 46.001 45.100 0.034 0.000 0.780 213 G HN 0.562 nan 8.290 nan 0.000 0.537 214 G N 1.087 109.907 108.800 0.034 0.000 2.418 214 G HA2 0.047 4.006 3.960 -0.000 0.000 0.217 214 G HA3 0.047 4.006 3.960 -0.000 0.000 0.217 214 G C 2.048 176.951 174.900 0.006 0.000 1.158 214 G CA 1.577 46.687 45.100 0.017 0.000 0.771 214 G HN 0.637 nan 8.290 nan 0.000 0.545 215 A N 1.190 124.025 122.820 0.024 0.000 1.902 215 A HA 0.290 4.610 4.320 -0.000 0.000 0.217 215 A C 2.830 180.430 177.584 0.026 0.000 1.181 215 A CA 2.244 54.298 52.037 0.029 0.000 0.623 215 A CB -0.834 18.191 19.000 0.042 0.000 0.818 215 A HN 0.783 nan 8.150 nan 0.000 0.443 216 A N -0.456 122.378 122.820 0.023 0.000 1.902 216 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 216 A C 2.412 180.001 177.584 0.009 0.000 1.181 216 A CA 1.971 54.019 52.037 0.019 0.000 0.623 216 A CB -1.399 17.611 19.000 0.016 0.000 0.818 216 A HN 0.750 nan 8.150 nan 0.000 0.443 217 G N -0.619 108.175 108.800 -0.011 0.000 2.422 217 G HA2 0.022 3.982 3.960 -0.000 0.000 0.218 217 G HA3 0.022 3.982 3.960 -0.000 0.000 0.218 217 G C 1.714 176.634 174.900 0.033 0.000 1.146 217 G CA 1.388 46.468 45.100 -0.034 0.000 0.769 217 G HN 0.792 nan 8.290 nan 0.000 0.547 218 A N 0.149 122.986 122.820 0.029 0.000 1.902 218 A HA 0.052 4.372 4.320 -0.000 0.000 0.217 218 A C 2.599 180.252 177.584 0.116 0.000 1.181 218 A CA 1.863 53.944 52.037 0.074 0.000 0.623 218 A CB -0.623 18.397 19.000 0.034 0.000 0.818 218 A HN 0.254 nan 8.150 nan 0.000 0.443 219 V N -0.038 119.919 119.914 0.073 0.000 2.358 219 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 219 V C 2.408 178.545 176.094 0.071 0.000 1.047 219 V CA 1.900 64.236 62.300 0.060 0.000 1.035 219 V CB -0.594 31.254 31.823 0.041 0.000 0.658 219 V HN 0.566 nan 8.190 nan 0.000 0.452 220 I N -0.751 119.873 120.570 0.091 0.000 2.226 220 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 220 I C 2.382 178.618 176.117 0.198 0.000 1.100 220 I CA 1.958 63.342 61.300 0.140 0.000 1.374 220 I CB -0.385 37.684 38.000 0.115 0.000 1.057 220 I HN 0.525 nan 8.210 nan 0.000 0.413 221 W N 2.590 123.861 121.300 -0.048 0.000 2.338 221 W HA -0.239 4.421 4.660 -0.000 0.000 0.304 221 W C 2.260 178.638 176.519 -0.235 0.000 1.212 221 W CA 1.499 58.706 57.345 -0.230 0.000 1.264 221 W CB -0.103 29.234 29.460 -0.204 0.000 1.142 221 W HN 0.077 nan 8.180 nan 0.000 0.512 222 K N -0.021 120.296 120.400 -0.138 0.000 2.097 222 K HA -0.208 4.112 4.320 -0.000 0.000 0.206 222 K C 1.832 178.293 176.600 -0.231 0.000 1.049 222 K CA 1.312 57.480 56.287 -0.198 0.000 0.933 222 K CB -0.396 32.085 32.500 -0.031 0.000 0.717 222 K HN 0.108 nan 8.250 nan 0.000 0.442 223 L N -0.230 120.921 121.223 -0.121 0.000 2.201 223 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 223 L C 1.822 178.667 176.870 -0.041 0.000 1.105 223 L CA 1.628 56.443 54.840 -0.042 0.000 0.775 223 L CB -0.398 41.689 42.059 0.047 0.000 0.913 223 L HN 0.266 nan 8.230 nan 0.000 0.440 224 F N -4.201 115.548 119.950 -0.334 0.000 2.925 224 F HA 0.511 5.038 4.527 -0.000 0.000 0.359 224 F C 1.545 177.011 175.800 -0.555 0.000 1.038 224 F CA 0.343 58.138 58.000 -0.341 0.000 1.130 224 F CB -0.458 38.407 39.000 -0.224 0.000 1.093 224 F HN -0.191 nan 8.300 nan 0.000 0.561 225 G N 0.270 107.951 108.800 -1.864 0.000 2.768 225 G HA2 0.023 3.983 3.960 -0.000 0.000 0.201 225 G HA3 0.023 3.983 3.960 -0.000 0.000 0.201 225 G C 1.163 175.031 174.900 -1.720 0.000 1.089 225 G CA 0.635 44.276 45.100 -2.431 0.000 0.787 225 G HN 0.253 nan 8.290 nan 0.000 0.547 226 E N 0.823 120.165 120.200 -1.430 0.000 2.152 226 E HA 0.052 4.402 4.350 -0.000 0.000 0.192 226 E C 0.988 177.525 176.600 -0.105 0.000 0.983 226 E CA 0.467 56.631 56.400 -0.393 0.000 0.818 226 E CB -0.079 29.535 29.700 -0.143 0.000 0.758 226 E HN 0.269 nan 8.360 nan 0.000 0.467 227 K N 1.626 121.901 120.400 -0.208 0.000 2.295 227 K HA 0.045 4.365 4.320 -0.000 0.000 0.270 227 K C -0.103 176.480 176.600 -0.029 0.000 1.011 227 K CA -0.379 55.865 56.287 -0.072 0.000 0.953 227 K CB 0.497 32.942 32.500 -0.091 0.000 0.956 227 K HN 0.128 nan 8.250 nan 0.000 0.477 228 D N 0.000 120.426 120.400 0.044 0.000 6.856 228 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 228 D CA 0.000 54.032 54.000 0.053 0.000 0.868 228 D CB 0.000 40.835 40.800 0.059 0.000 0.688 228 D HN 0.000 nan 8.370 nan 0.000 0.683