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 3ah4_1_A DATA FIRST_RESID 4 DATA SEQUENCE TNANDLRNNE VFFISPSNNT NKVLDKISQS EVKLWNKLSG ANQKWRLIYD DATA SEQUENCE TNKQAYKIKV MDNTSLILTW NAPLSSVSVK TDTNGDNQYW YLLQNYISRN DATA SEQUENCE VIIRNYMNPN LVLQYNIDDT LMVSTQTSSS NQFFKFSNCI YEALNNRNCK DATA SEQUENCE LQTQLNSDRF LSKNLNSQII VLWQWFDSSR QKWIIEYNET KSAYTLKCQE DATA SEQUENCE NNRYLTWIQN SNNYVETYQS TDSLIQYWNI NYLDNDASKY ILYNLQDTNR DATA SEQUENCE VLDVYNSQIA NGTHVIVDSY HGNTNQQWII NLI 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.651 174.700 -0.082 0.000 1.109 4 T CA 0.000 62.065 62.100 -0.058 0.000 1.349 4 T CB 0.000 68.755 68.868 -0.188 0.000 0.612 5 N N 1.630 120.311 118.700 -0.032 0.000 2.270 5 N HA 0.316 5.054 4.740 -0.004 0.000 0.198 5 N C 1.629 177.083 175.510 -0.093 0.000 1.117 5 N CA 0.677 53.721 53.050 -0.009 0.000 0.845 5 N CB 0.233 38.764 38.487 0.072 0.000 0.980 5 N HN 0.596 nan 8.380 nan 0.000 0.486 6 A N 0.798 123.364 122.820 -0.425 0.000 2.067 6 A HA -0.064 4.254 4.320 -0.004 0.000 0.219 6 A C 1.494 178.852 177.584 -0.375 0.000 1.158 6 A CA 0.860 52.413 52.037 -0.807 0.000 0.661 6 A CB -0.336 17.442 19.000 -2.038 0.000 0.801 6 A HN 0.362 nan 8.150 nan 0.000 0.452 7 N N 0.933 119.517 118.700 -0.193 0.000 2.270 7 N HA 0.031 4.769 4.740 -0.004 0.000 0.198 7 N C -0.835 174.797 175.510 0.204 0.000 1.117 7 N CA 0.034 53.151 53.050 0.110 0.000 0.845 7 N CB 0.040 38.593 38.487 0.111 0.000 0.980 7 N HN 0.368 nan 8.380 nan 0.000 0.486 8 D N 0.607 121.072 120.400 0.108 0.000 2.400 8 D HA 0.015 4.653 4.640 -0.004 0.000 0.238 8 D C 0.936 177.312 176.300 0.126 0.000 1.157 8 D CA 0.116 54.163 54.000 0.078 0.000 0.889 8 D CB 1.261 42.101 40.800 0.067 0.000 1.199 8 D HN 0.055 nan 8.370 nan 0.000 0.436 9 L N 2.436 123.632 121.223 -0.045 0.000 2.650 9 L HA 0.108 4.445 4.340 -0.004 0.000 0.239 9 L C 0.974 177.888 176.870 0.073 0.000 1.412 9 L CA -0.021 54.711 54.840 -0.180 0.000 1.219 9 L CB -0.586 41.214 42.059 -0.431 0.000 1.534 9 L HN -0.005 nan 8.230 nan 0.000 0.430 10 R N 0.594 121.235 120.500 0.235 0.000 2.543 10 R HA 0.048 4.385 4.340 -0.004 0.000 0.277 10 R C 0.387 176.860 176.300 0.287 0.000 1.074 10 R CA -0.605 55.619 56.100 0.207 0.000 1.076 10 R CB 0.397 30.805 30.300 0.181 0.000 0.993 10 R HN 0.216 nan 8.270 nan 0.000 0.459 11 N N 1.740 120.562 118.700 0.204 0.000 2.407 11 N HA -0.159 4.579 4.740 -0.004 0.000 0.250 11 N C 0.246 175.872 175.510 0.194 0.000 1.236 11 N CA 0.737 53.927 53.050 0.234 0.000 0.879 11 N CB 0.294 38.858 38.487 0.130 0.000 1.088 11 N HN 0.648 nan 8.380 nan 0.000 0.450 12 N N -0.064 118.768 118.700 0.221 0.000 2.850 12 N HA -0.192 4.546 4.740 -0.004 0.000 0.249 12 N C -1.410 174.177 175.510 0.129 0.000 1.060 12 N CA 0.942 54.080 53.050 0.146 0.000 0.825 12 N CB -0.787 37.730 38.487 0.050 0.000 1.132 12 N HN 0.641 nan 8.380 nan 0.000 0.564 13 E N -0.492 119.817 120.200 0.182 0.000 2.227 13 E HA 0.553 4.901 4.350 -0.004 0.000 0.268 13 E C -0.158 176.424 176.600 -0.030 0.000 0.990 13 E CA -0.742 55.661 56.400 0.004 0.000 0.856 13 E CB 1.804 31.430 29.700 -0.123 0.000 1.159 13 E HN 0.033 nan 8.360 nan 0.000 0.401 14 V N 2.427 122.172 119.914 -0.282 0.000 2.495 14 V HA 0.478 4.596 4.120 -0.004 0.000 0.298 14 V C -0.760 175.093 176.094 -0.401 0.000 1.031 14 V CA -0.558 61.682 62.300 -0.100 0.000 0.871 14 V CB 0.715 32.612 31.823 0.123 0.000 0.988 14 V HN 0.460 nan 8.190 nan 0.000 0.432 15 F N 2.775 122.768 119.950 0.073 0.000 2.588 15 F HA 0.664 5.188 4.527 -0.005 0.000 0.314 15 F C -0.424 175.336 175.800 -0.067 0.000 1.069 15 F CA -0.777 57.240 58.000 0.028 0.000 0.931 15 F CB 1.743 40.850 39.000 0.178 0.000 1.260 15 F HN 0.268 nan 8.300 nan 0.000 0.465 16 F N 2.625 122.775 119.950 0.333 0.000 2.396 16 F HA 0.486 5.010 4.527 -0.004 0.000 0.343 16 F C 0.129 175.934 175.800 0.007 0.000 1.104 16 F CA -0.686 57.437 58.000 0.205 0.000 1.161 16 F CB 0.594 39.686 39.000 0.154 0.000 1.146 16 F HN 0.100 nan 8.300 nan 0.000 0.522 17 I N 2.751 123.338 120.570 0.028 0.000 2.355 17 I HA 0.299 4.467 4.170 -0.004 0.000 0.288 17 I C -0.371 175.680 176.117 -0.110 0.000 0.999 17 I CA -0.101 60.955 61.300 -0.406 0.000 1.163 17 I CB 1.171 38.654 38.000 -0.862 0.000 1.316 17 I HN 0.469 nan 8.210 nan 0.000 0.454 18 S N 7.404 123.089 115.700 -0.026 0.000 2.568 18 S HA 0.562 5.030 4.470 -0.004 0.000 0.302 18 S C -2.508 172.070 174.600 -0.037 0.000 1.082 18 S CA -1.301 56.895 58.200 -0.006 0.000 1.009 18 S CB 1.901 65.090 63.200 -0.019 0.000 1.069 18 S HN 0.371 nan 8.310 nan 0.000 0.500 19 P HA 0.102 nan 4.420 nan 0.000 0.271 19 P C 0.621 177.680 177.300 -0.402 0.000 1.218 19 P CA -0.128 62.454 63.100 -0.864 0.000 0.780 19 P CB 0.613 31.430 31.700 -1.472 0.000 0.901 20 S N 1.835 117.401 115.700 -0.222 0.000 2.419 20 S HA -0.184 4.284 4.470 -0.004 0.000 0.233 20 S C 1.303 175.897 174.600 -0.010 0.000 1.016 20 S CA 1.194 59.387 58.200 -0.012 0.000 0.974 20 S CB -1.118 62.163 63.200 0.134 0.000 0.786 20 S HN 0.610 nan 8.310 nan 0.000 0.492 21 N N 1.643 120.335 118.700 -0.015 0.000 2.398 21 N HA 0.048 4.786 4.740 -0.004 0.000 0.188 21 N C -0.236 175.245 175.510 -0.048 0.000 1.122 21 N CA 0.132 53.189 53.050 0.012 0.000 0.866 21 N CB -0.481 38.066 38.487 0.099 0.000 0.970 21 N HN 0.410 nan 8.380 nan 0.000 0.462 22 N N -0.564 118.072 118.700 -0.106 0.000 2.875 22 N HA 0.005 4.742 4.740 -0.004 0.000 0.253 22 N C -0.508 174.939 175.510 -0.106 0.000 1.296 22 N CA -0.126 52.862 53.050 -0.103 0.000 0.816 22 N CB 0.956 39.370 38.487 -0.120 0.000 1.504 22 N HN -0.036 nan 8.380 nan 0.000 0.582 23 T N 1.067 115.579 114.554 -0.071 0.000 3.113 23 T HA -0.011 4.337 4.350 -0.004 0.000 0.263 23 T C 1.052 175.704 174.700 -0.081 0.000 1.143 23 T CA 1.224 63.289 62.100 -0.057 0.000 1.090 23 T CB -0.038 68.813 68.868 -0.028 0.000 0.922 23 T HN 0.403 nan 8.240 nan 0.000 0.521 24 N N 0.415 119.059 118.700 -0.093 0.000 2.280 24 N HA 0.159 4.896 4.740 -0.004 0.000 0.192 24 N C -0.190 175.246 175.510 -0.123 0.000 1.109 24 N CA 0.144 53.127 53.050 -0.111 0.000 0.855 24 N CB 0.301 38.728 38.487 -0.101 0.000 0.974 24 N HN 0.340 nan 8.380 nan 0.000 0.482 25 K N -0.029 120.302 120.400 -0.114 0.000 2.203 25 K HA 0.494 4.812 4.320 -0.004 0.000 0.251 25 K C -0.971 175.601 176.600 -0.048 0.000 0.944 25 K CA -0.963 55.268 56.287 -0.093 0.000 0.829 25 K CB 2.473 34.905 32.500 -0.112 0.000 1.125 25 K HN -0.101 nan 8.250 nan 0.000 0.430 26 V N -0.348 119.586 119.914 0.033 0.000 3.078 26 V HA 0.462 4.580 4.120 -0.004 0.000 0.311 26 V C -0.784 175.411 176.094 0.169 0.000 1.138 26 V CA -1.399 60.962 62.300 0.103 0.000 1.007 26 V CB 1.565 33.490 31.823 0.171 0.000 1.045 26 V HN 0.641 nan 8.190 nan 0.000 0.432 27 L N 2.906 124.211 121.223 0.136 0.000 2.513 27 L HA 0.488 4.826 4.340 -0.004 0.000 0.272 27 L C -0.255 176.869 176.870 0.423 0.000 1.187 27 L CA 1.219 56.129 54.840 0.116 0.000 0.895 27 L CB -0.084 41.800 42.059 -0.291 0.000 1.147 27 L HN 1.015 nan 8.230 nan 0.000 0.483 28 D N 4.557 125.178 120.400 0.368 0.000 2.757 28 D HA 0.160 4.798 4.640 -0.004 0.000 0.249 28 D C -0.993 175.480 176.300 0.288 0.000 1.168 28 D CA -0.595 53.608 54.000 0.339 0.000 0.870 28 D CB 1.391 42.338 40.800 0.244 0.000 1.411 28 D HN 0.553 nan 8.370 nan 0.000 0.525 29 K N 4.913 125.463 120.400 0.250 0.000 2.278 29 K HA 0.167 4.485 4.320 -0.004 0.000 0.289 29 K C 1.476 178.075 176.600 -0.002 0.000 1.080 29 K CA -0.271 56.093 56.287 0.130 0.000 0.934 29 K CB 0.069 32.577 32.500 0.013 0.000 1.093 29 K HN 0.560 nan 8.250 nan 0.000 0.459 30 I N 0.293 120.845 120.570 -0.029 0.000 2.716 30 I HA -0.006 4.162 4.170 -0.004 0.000 0.259 30 I C 0.589 176.645 176.117 -0.102 0.000 1.172 30 I CA -0.062 61.160 61.300 -0.130 0.000 1.478 30 I CB 0.120 37.991 38.000 -0.214 0.000 1.104 30 I HN 0.406 nan 8.210 nan 0.000 0.439 31 S N -0.684 114.985 115.700 -0.052 0.000 2.911 31 S HA 0.368 4.836 4.470 -0.004 0.000 0.319 31 S C 0.489 175.075 174.600 -0.023 0.000 1.154 31 S CA -0.648 57.526 58.200 -0.043 0.000 0.857 31 S CB 1.238 64.418 63.200 -0.034 0.000 1.279 31 S HN 0.050 nan 8.310 nan 0.000 0.593 32 Q N 0.719 120.508 119.800 -0.018 0.000 2.364 32 Q HA 0.081 4.419 4.340 -0.004 0.000 0.207 32 Q C 1.723 177.730 176.000 0.011 0.000 0.970 32 Q CA 1.680 57.477 55.803 -0.009 0.000 0.888 32 Q CB -0.157 28.574 28.738 -0.012 0.000 0.951 32 Q HN 0.841 nan 8.270 nan 0.000 0.469 33 S N -2.356 113.357 115.700 0.020 0.000 2.651 33 S HA 0.187 4.655 4.470 -0.004 0.000 0.259 33 S C 0.265 174.900 174.600 0.058 0.000 1.073 33 S CA -0.477 57.747 58.200 0.040 0.000 1.090 33 S CB 0.813 64.032 63.200 0.031 0.000 1.042 33 S HN -0.058 nan 8.310 nan 0.000 0.581 34 E N 2.312 122.540 120.200 0.048 0.000 2.191 34 E HA 0.610 4.958 4.350 -0.004 0.000 0.274 34 E C -0.335 176.311 176.600 0.077 0.000 0.948 34 E CA -0.641 55.793 56.400 0.056 0.000 0.802 34 E CB 2.137 31.856 29.700 0.033 0.000 1.137 34 E HN 0.377 nan 8.360 nan 0.000 0.397 35 V N -0.841 119.129 119.914 0.093 0.000 2.815 35 V HA 0.810 4.927 4.120 -0.004 0.000 0.314 35 V C -0.243 175.909 176.094 0.097 0.000 1.064 35 V CA -0.795 61.573 62.300 0.114 0.000 0.952 35 V CB 2.091 33.976 31.823 0.104 0.000 1.020 35 V HN 0.618 nan 8.190 nan 0.000 0.439 36 K N 2.289 122.764 120.400 0.124 0.000 2.587 36 K HA 0.568 4.886 4.320 -0.004 0.000 0.276 36 K C -1.680 175.045 176.600 0.208 0.000 0.956 36 K CA -0.910 55.471 56.287 0.157 0.000 0.857 36 K CB 2.335 34.930 32.500 0.157 0.000 1.431 36 K HN 0.868 nan 8.250 nan 0.000 0.420 37 L N 3.055 124.405 121.223 0.212 0.000 2.367 37 L HA 0.346 4.683 4.340 -0.004 0.000 0.275 37 L C -0.327 176.738 176.870 0.326 0.000 1.129 37 L CA -0.129 54.830 54.840 0.199 0.000 0.839 37 L CB 0.497 42.612 42.059 0.094 0.000 1.133 37 L HN 0.534 nan 8.230 nan 0.000 0.453 38 W N 3.547 124.863 121.300 0.026 0.000 3.107 38 W HA 0.179 4.838 4.660 -0.001 0.000 0.331 38 W C -0.378 176.140 176.519 -0.002 0.000 1.204 38 W CA -0.975 56.382 57.345 0.020 0.000 1.184 38 W CB 1.842 31.325 29.460 0.038 0.000 1.421 38 W HN 0.468 nan 8.180 nan 0.000 0.544 39 N N 3.859 122.218 118.700 -0.567 0.000 2.131 39 N HA -0.198 4.540 4.740 -0.004 0.000 0.276 39 N C -0.164 175.316 175.510 -0.049 0.000 1.295 39 N CA 1.138 53.982 53.050 -0.344 0.000 0.818 39 N CB 0.543 38.734 38.487 -0.494 0.000 1.049 39 N HN 0.298 nan 8.380 nan 0.000 0.484 40 K N 3.870 124.224 120.400 -0.078 0.000 2.436 40 K HA 0.035 4.353 4.320 -0.004 0.000 0.282 40 K C 0.443 177.020 176.600 -0.039 0.000 1.044 40 K CA 0.214 56.449 56.287 -0.087 0.000 1.028 40 K CB 0.243 32.612 32.500 -0.217 0.000 0.919 40 K HN 0.632 nan 8.250 nan 0.000 0.474 41 L N 2.322 123.563 121.223 0.031 0.000 2.840 41 L HA 0.080 4.418 4.340 -0.004 0.000 0.249 41 L C 0.479 177.391 176.870 0.070 0.000 1.119 41 L CA -0.190 54.688 54.840 0.063 0.000 0.930 41 L CB 0.449 42.584 42.059 0.127 0.000 1.295 41 L HN 0.784 nan 8.230 nan 0.000 0.534 42 S N 0.185 115.952 115.700 0.110 0.000 3.382 42 S HA -0.149 4.319 4.470 -0.004 0.000 0.293 42 S C 0.912 175.624 174.600 0.186 0.000 1.262 42 S CA 0.412 58.772 58.200 0.267 0.000 0.969 42 S CB -1.646 61.698 63.200 0.240 0.000 1.136 42 S HN 0.635 nan 8.310 nan 0.000 0.635 43 G N 0.214 109.083 108.800 0.115 0.000 2.636 43 G HA2 0.499 4.457 3.960 -0.004 0.000 0.246 43 G HA3 0.499 4.457 3.960 -0.004 0.000 0.246 43 G C 1.021 175.908 174.900 -0.021 0.000 1.216 43 G CA 0.016 45.133 45.100 0.029 0.000 0.854 43 G HN 0.742 nan 8.290 nan 0.000 0.572 44 A N 0.962 123.713 122.820 -0.114 0.000 2.067 44 A HA -0.093 4.225 4.320 -0.004 0.000 0.219 44 A C 2.122 179.545 177.584 -0.270 0.000 1.158 44 A CA 1.563 53.469 52.037 -0.218 0.000 0.661 44 A CB -0.357 18.494 19.000 -0.248 0.000 0.801 44 A HN 0.749 nan 8.150 nan 0.000 0.452 45 N N -0.118 118.458 118.700 -0.205 0.000 2.550 45 N HA -0.130 4.608 4.740 -0.004 0.000 0.186 45 N C 0.911 176.290 175.510 -0.218 0.000 1.110 45 N CA 0.843 53.743 53.050 -0.250 0.000 0.912 45 N CB -0.361 38.037 38.487 -0.148 0.000 0.968 45 N HN 0.671 nan 8.380 nan 0.000 0.448 46 Q N -0.343 119.406 119.800 -0.084 0.000 2.198 46 Q HA 0.245 4.583 4.340 -0.004 0.000 0.209 46 Q C -0.460 175.607 176.000 0.113 0.000 0.848 46 Q CA 0.030 55.931 55.803 0.163 0.000 0.974 46 Q CB 0.697 29.633 28.738 0.329 0.000 1.115 46 Q HN 0.300 nan 8.270 nan 0.000 0.494 47 K N 0.269 120.454 120.400 -0.357 0.000 2.324 47 K HA 0.422 4.740 4.320 -0.004 0.000 0.253 47 K C -1.535 174.714 176.600 -0.584 0.000 0.932 47 K CA -0.454 55.625 56.287 -0.347 0.000 0.799 47 K CB 1.442 33.734 32.500 -0.347 0.000 1.154 47 K HN -0.071 nan 8.250 nan 0.000 0.425 48 W N 2.073 123.364 121.300 -0.015 0.000 2.781 48 W HA 0.402 5.059 4.660 -0.006 0.000 0.333 48 W C -0.202 176.403 176.519 0.143 0.000 1.047 48 W CA -0.718 56.656 57.345 0.048 0.000 1.236 48 W CB 1.321 30.797 29.460 0.026 0.000 1.394 48 W HN 0.304 nan 8.180 nan 0.000 0.466 49 R N 3.267 123.952 120.500 0.307 0.000 2.349 49 R HA 0.579 4.917 4.340 -0.004 0.000 0.299 49 R C -0.636 175.876 176.300 0.353 0.000 1.027 49 R CA -0.522 55.754 56.100 0.295 0.000 0.958 49 R CB 0.731 31.145 30.300 0.191 0.000 1.047 49 R HN 0.632 nan 8.270 nan 0.000 0.468 50 L N 5.921 127.390 121.223 0.409 0.000 2.292 50 L HA 0.375 4.713 4.340 -0.004 0.000 0.284 50 L C -0.514 176.600 176.870 0.406 0.000 1.065 50 L CA -0.627 54.464 54.840 0.419 0.000 0.806 50 L CB 1.236 43.544 42.059 0.415 0.000 1.175 50 L HN 0.567 nan 8.230 nan 0.000 0.431 51 I N 3.712 124.525 120.570 0.406 0.000 2.420 51 I HA 0.216 4.384 4.170 -0.004 0.000 0.282 51 I C -0.578 175.730 176.117 0.317 0.000 1.019 51 I CA -0.302 61.180 61.300 0.303 0.000 1.130 51 I CB 1.162 39.279 38.000 0.195 0.000 1.262 51 I HN 0.304 nan 8.210 nan 0.000 0.454 52 Y N 5.573 125.917 120.300 0.073 0.000 2.316 52 Y HA 0.365 4.913 4.550 -0.003 0.000 0.331 52 Y C 0.009 175.844 175.900 -0.110 0.000 1.083 52 Y CA -0.409 57.569 58.100 -0.203 0.000 1.206 52 Y CB 0.821 39.063 38.460 -0.365 0.000 1.195 52 Y HN 0.513 nan 8.280 nan 0.000 0.497 53 D N 4.166 124.194 120.400 -0.621 0.000 2.427 53 D HA 0.144 4.782 4.640 -0.004 0.000 0.226 53 D C 0.321 176.089 176.300 -0.888 0.000 1.076 53 D CA -0.061 53.627 54.000 -0.520 0.000 0.849 53 D CB 1.607 42.200 40.800 -0.346 0.000 1.052 53 D HN 0.786 nan 8.370 nan 0.000 0.515 54 T N 2.904 117.117 114.554 -0.568 0.000 2.821 54 T HA -0.152 4.196 4.350 -0.004 0.000 0.267 54 T C 1.664 176.195 174.700 -0.282 0.000 1.046 54 T CA 1.134 63.000 62.100 -0.391 0.000 1.139 54 T CB -0.120 68.711 68.868 -0.062 0.000 0.871 54 T HN 0.500 nan 8.240 nan 0.000 0.454 55 N N 0.895 119.444 118.700 -0.251 0.000 2.094 55 N HA -0.124 4.613 4.740 -0.004 0.000 0.191 55 N C 1.669 177.047 175.510 -0.221 0.000 1.023 55 N CA 1.323 54.256 53.050 -0.194 0.000 0.857 55 N CB -0.005 38.370 38.487 -0.186 0.000 1.013 55 N HN 0.312 nan 8.380 nan 0.000 0.426 56 K N -0.249 119.915 120.400 -0.393 0.000 2.361 56 K HA 0.101 4.419 4.320 -0.004 0.000 0.196 56 K C -0.049 176.409 176.600 -0.237 0.000 1.039 56 K CA 0.214 56.235 56.287 -0.444 0.000 1.001 56 K CB 0.301 32.168 32.500 -1.055 0.000 0.795 56 K HN 0.234 nan 8.250 nan 0.000 0.495 57 Q N -0.865 118.741 119.800 -0.325 0.000 2.475 57 Q HA -0.216 4.122 4.340 -0.004 0.000 0.280 57 Q C -0.764 175.230 176.000 -0.010 0.000 1.234 57 Q CA 0.403 56.135 55.803 -0.120 0.000 0.873 57 Q CB -1.477 27.388 28.738 0.212 0.000 1.256 57 Q HN 0.417 nan 8.270 nan 0.000 0.475 58 A N -0.435 122.140 122.820 -0.407 0.000 2.566 58 A HA 0.843 5.161 4.320 -0.004 0.000 0.292 58 A C -1.538 175.989 177.584 -0.096 0.000 1.112 58 A CA -0.625 51.307 52.037 -0.174 0.000 0.707 58 A CB 1.249 19.964 19.000 -0.475 0.000 1.302 58 A HN 0.210 nan 8.150 nan 0.000 0.409 59 Y N 0.459 120.881 120.300 0.204 0.000 2.524 59 Y HA 0.528 5.075 4.550 -0.005 0.000 0.344 59 Y C 0.431 176.475 175.900 0.241 0.000 1.012 59 Y CA -0.678 57.583 58.100 0.268 0.000 1.068 59 Y CB 2.046 40.680 38.460 0.290 0.000 1.249 59 Y HN 0.591 nan 8.280 nan 0.000 0.468 60 K N 2.405 122.991 120.400 0.310 0.000 2.098 60 K HA 0.577 4.895 4.320 -0.004 0.000 0.261 60 K C -1.114 175.653 176.600 0.279 0.000 0.987 60 K CA -0.430 55.962 56.287 0.174 0.000 0.916 60 K CB 1.096 33.593 32.500 -0.006 0.000 1.039 60 K HN 0.515 nan 8.250 nan 0.000 0.455 61 I N 2.660 123.380 120.570 0.249 0.000 2.437 61 I HA 0.200 4.368 4.170 -0.004 0.000 0.279 61 I C -0.451 175.883 176.117 0.362 0.000 1.028 61 I CA -0.563 60.883 61.300 0.243 0.000 1.142 61 I CB 1.261 39.266 38.000 0.008 0.000 1.266 61 I HN 0.368 nan 8.210 nan 0.000 0.461 62 K N 5.990 126.610 120.400 0.366 0.000 2.213 62 K HA 0.444 4.762 4.320 -0.004 0.000 0.270 62 K C -0.617 176.091 176.600 0.181 0.000 1.002 62 K CA -0.509 55.941 56.287 0.272 0.000 0.868 62 K CB 2.251 34.841 32.500 0.150 0.000 1.093 62 K HN 0.355 nan 8.250 nan 0.000 0.454 63 V N 5.299 125.180 119.914 -0.054 0.000 2.872 63 V HA -0.007 4.111 4.120 -0.004 0.000 0.307 63 V C 0.760 176.626 176.094 -0.379 0.000 1.072 63 V CA 0.349 62.244 62.300 -0.674 0.000 1.148 63 V CB 0.832 32.163 31.823 -0.819 0.000 0.954 63 V HN 0.873 nan 8.190 nan 0.000 0.490 64 M N 4.320 123.643 119.600 -0.461 0.000 2.560 64 M HA 0.197 4.675 4.480 -0.004 0.000 0.297 64 M C 0.811 176.939 176.300 -0.287 0.000 1.201 64 M CA -0.001 55.115 55.300 -0.306 0.000 0.973 64 M CB -0.612 31.802 32.600 -0.312 0.000 1.401 64 M HN 0.891 nan 8.290 nan 0.000 0.497 65 D N -0.516 119.718 120.400 -0.277 0.000 2.328 65 D HA 0.002 4.640 4.640 -0.004 0.000 0.226 65 D C 0.255 176.464 176.300 -0.151 0.000 1.066 65 D CA 0.208 54.081 54.000 -0.212 0.000 0.861 65 D CB 0.028 40.705 40.800 -0.206 0.000 0.912 65 D HN 0.235 nan 8.370 nan 0.000 0.521 66 N N -1.036 117.583 118.700 -0.136 0.000 2.955 66 N HA -0.191 4.547 4.740 -0.004 0.000 0.199 66 N C 1.189 176.656 175.510 -0.072 0.000 0.939 66 N CA 1.605 54.599 53.050 -0.093 0.000 1.028 66 N CB -2.071 36.367 38.487 -0.083 0.000 1.000 66 N HN 0.505 nan 8.380 nan 0.000 0.577 67 T N -2.741 111.764 114.554 -0.080 0.000 3.055 67 T HA 0.161 4.509 4.350 -0.004 0.000 0.265 67 T C 0.995 175.673 174.700 -0.037 0.000 1.111 67 T CA 1.363 63.430 62.100 -0.055 0.000 1.118 67 T CB -0.029 68.805 68.868 -0.056 0.000 0.909 67 T HN 0.296 nan 8.240 nan 0.000 0.501 68 S N 0.373 116.047 115.700 -0.044 0.000 3.380 68 S HA -0.122 4.346 4.470 -0.004 0.000 0.300 68 S C 0.242 174.848 174.600 0.010 0.000 1.255 68 S CA 0.422 58.613 58.200 -0.015 0.000 0.963 68 S CB -2.327 60.872 63.200 -0.002 0.000 1.106 68 S HN 0.691 nan 8.310 nan 0.000 0.629 69 L N 1.733 122.961 121.223 0.009 0.000 2.417 69 L HA 0.564 4.902 4.340 -0.004 0.000 0.268 69 L C 0.711 177.653 176.870 0.119 0.000 1.158 69 L CA -0.239 54.632 54.840 0.052 0.000 0.819 69 L CB 0.433 42.522 42.059 0.050 0.000 1.112 69 L HN 0.431 nan 8.230 nan 0.000 0.458 70 I N 0.199 120.854 120.570 0.143 0.000 2.646 70 I HA 0.398 4.566 4.170 -0.004 0.000 0.299 70 I C -0.537 175.721 176.117 0.235 0.000 1.036 70 I CA -1.184 60.237 61.300 0.202 0.000 1.074 70 I CB 2.005 40.081 38.000 0.126 0.000 1.258 70 I HN 0.326 nan 8.210 nan 0.000 0.430 71 L N 4.306 125.681 121.223 0.254 0.000 2.513 71 L HA 0.308 4.646 4.340 -0.004 0.000 0.272 71 L C -0.318 176.821 176.870 0.449 0.000 1.187 71 L CA 1.492 56.446 54.840 0.191 0.000 0.895 71 L CB 0.348 42.302 42.059 -0.175 0.000 1.147 71 L HN 0.810 nan 8.230 nan 0.000 0.483 72 T N 4.894 119.690 114.554 0.403 0.000 2.879 72 T HA 0.194 4.542 4.350 -0.004 0.000 0.290 72 T C -1.385 173.602 174.700 0.479 0.000 0.993 72 T CA -0.276 62.058 62.100 0.390 0.000 0.975 72 T CB 0.617 69.599 68.868 0.191 0.000 0.981 72 T HN 0.579 nan 8.240 nan 0.000 0.439 73 W N 4.114 125.574 121.300 0.267 0.000 2.345 73 W HA 0.325 4.987 4.660 0.003 0.000 0.308 73 W C -0.251 176.321 176.519 0.088 0.000 1.273 73 W CA -1.314 56.140 57.345 0.182 0.000 1.243 73 W CB -0.403 29.073 29.460 0.028 0.000 1.260 73 W HN 0.633 nan 8.180 nan 0.000 0.509 74 N N 5.573 124.245 118.700 -0.046 0.000 3.243 74 N HA 0.293 5.030 4.740 -0.004 0.000 0.310 74 N C 0.194 175.360 175.510 -0.573 0.000 1.313 74 N CA -0.362 52.546 53.050 -0.238 0.000 1.204 74 N CB 0.121 38.592 38.487 -0.026 0.000 1.483 74 N HN 0.502 nan 8.380 nan 0.000 0.553 75 A N 1.842 123.902 122.820 -1.266 0.000 2.561 75 A HA 0.060 4.378 4.320 -0.004 0.000 0.234 75 A C -0.661 176.618 177.584 -0.509 0.000 1.055 75 A CA -0.753 50.508 52.037 -1.293 0.000 0.756 75 A CB 0.156 18.112 19.000 -1.741 0.000 0.986 75 A HN 0.360 nan 8.150 nan 0.000 0.505 76 P HA 0.139 nan 4.420 nan 0.000 0.255 76 P C 0.170 177.504 177.300 0.055 0.000 1.248 76 P CA 0.117 63.139 63.100 -0.129 0.000 0.807 76 P CB -0.040 31.638 31.700 -0.037 0.000 1.150 77 L N 0.422 121.654 121.223 0.014 0.000 2.456 77 L HA 0.097 4.434 4.340 -0.004 0.000 0.246 77 L C 1.808 178.884 176.870 0.343 0.000 1.238 77 L CA 0.263 55.180 54.840 0.129 0.000 0.826 77 L CB -0.178 41.924 42.059 0.071 0.000 1.150 77 L HN -0.087 nan 8.230 nan 0.000 0.514 78 S N -2.503 113.367 115.700 0.283 0.000 2.540 78 S HA 0.091 4.559 4.470 -0.004 0.000 0.218 78 S C 0.503 175.281 174.600 0.297 0.000 0.977 78 S CA -0.269 58.124 58.200 0.322 0.000 0.918 78 S CB -0.171 63.136 63.200 0.178 0.000 0.806 78 S HN 0.644 nan 8.310 nan 0.000 0.496 79 S N 1.634 117.492 115.700 0.264 0.000 2.632 79 S HA 0.687 5.155 4.470 -0.004 0.000 0.267 79 S C 0.094 174.874 174.600 0.299 0.000 1.276 79 S CA -0.239 58.092 58.200 0.218 0.000 0.998 79 S CB 1.099 64.384 63.200 0.141 0.000 0.953 79 S HN 0.932 nan 8.310 nan 0.000 0.547 80 V N -1.199 118.856 119.914 0.236 0.000 2.960 80 V HA 0.990 5.108 4.120 -0.004 0.000 0.315 80 V C -0.187 176.005 176.094 0.164 0.000 1.087 80 V CA -0.346 62.105 62.300 0.252 0.000 0.982 80 V CB 1.151 33.111 31.823 0.228 0.000 1.039 80 V HN 1.411 nan 8.190 nan 0.000 0.437 81 S N 0.879 116.678 115.700 0.164 0.000 2.752 81 S HA 0.843 5.311 4.470 -0.004 0.000 0.284 81 S C -0.651 174.035 174.600 0.144 0.000 1.189 81 S CA -0.223 58.053 58.200 0.126 0.000 0.835 81 S CB 1.330 64.590 63.200 0.100 0.000 1.192 81 S HN 2.233 nan 8.310 nan 0.000 0.506 82 V N -0.826 119.172 119.914 0.140 0.000 2.435 82 V HA 0.811 4.929 4.120 -0.004 0.000 0.290 82 V C -0.570 175.588 176.094 0.108 0.000 1.030 82 V CA -0.518 61.878 62.300 0.159 0.000 0.881 82 V CB 0.601 32.546 31.823 0.203 0.000 0.983 82 V HN 0.971 nan 8.190 nan 0.000 0.445 83 K N 1.894 122.354 120.400 0.101 0.000 2.480 83 K HA 0.567 4.885 4.320 -0.004 0.000 0.258 83 K C -0.337 176.294 176.600 0.051 0.000 0.990 83 K CA -0.882 55.442 56.287 0.063 0.000 0.857 83 K CB 2.372 34.903 32.500 0.053 0.000 1.384 83 K HN 0.792 nan 8.250 nan 0.000 0.446 84 T N 1.533 116.106 114.554 0.031 0.000 2.933 84 T HA -0.098 4.250 4.350 -0.004 0.000 0.306 84 T C -0.153 174.558 174.700 0.018 0.000 1.045 84 T CA 0.398 62.511 62.100 0.021 0.000 1.143 84 T CB 0.107 68.982 68.868 0.012 0.000 1.003 84 T HN 0.418 nan 8.240 nan 0.000 0.540 85 D N 2.265 122.673 120.400 0.014 0.000 2.342 85 D HA 0.079 4.717 4.640 -0.004 0.000 0.260 85 D C 1.093 177.392 176.300 -0.001 0.000 1.278 85 D CA -0.154 53.846 54.000 -0.002 0.000 0.910 85 D CB 0.394 41.192 40.800 -0.004 0.000 1.079 85 D HN 0.602 nan 8.370 nan 0.000 0.496 86 T N 0.142 114.694 114.554 -0.003 0.000 3.174 86 T HA 0.120 4.468 4.350 -0.004 0.000 0.269 86 T C 0.426 175.137 174.700 0.019 0.000 1.017 86 T CA -0.628 61.476 62.100 0.007 0.000 0.899 86 T CB -0.311 68.560 68.868 0.005 0.000 1.077 86 T HN 0.480 nan 8.240 nan 0.000 0.552 87 N N 1.136 119.843 118.700 0.013 0.000 2.725 87 N HA -0.113 4.625 4.740 -0.004 0.000 0.249 87 N C 0.495 176.089 175.510 0.140 0.000 1.103 87 N CA 0.882 53.979 53.050 0.079 0.000 0.707 87 N CB -1.422 37.130 38.487 0.107 0.000 1.043 87 N HN 0.789 nan 8.380 nan 0.000 0.553 88 G N 0.024 108.866 108.800 0.070 0.000 2.442 88 G HA2 0.197 4.155 3.960 -0.004 0.000 0.249 88 G HA3 0.197 4.155 3.960 -0.004 0.000 0.249 88 G C 0.884 175.893 174.900 0.181 0.000 1.263 88 G CA -0.249 44.901 45.100 0.083 0.000 0.846 88 G HN 0.009 nan 8.290 nan 0.000 0.555 89 D N 0.673 121.191 120.400 0.197 0.000 2.221 89 D HA -0.157 4.480 4.640 -0.004 0.000 0.204 89 D C 2.249 178.699 176.300 0.249 0.000 0.982 89 D CA 1.228 55.417 54.000 0.315 0.000 0.857 89 D CB 0.141 41.108 40.800 0.278 0.000 0.934 89 D HN 0.605 nan 8.370 nan 0.000 0.475 90 N N 0.479 119.245 118.700 0.110 0.000 2.550 90 N HA -0.142 4.596 4.740 -0.004 0.000 0.186 90 N C 0.903 176.361 175.510 -0.086 0.000 1.110 90 N CA 0.417 53.502 53.050 0.057 0.000 0.912 90 N CB -0.238 38.229 38.487 -0.034 0.000 0.968 90 N HN 0.324 nan 8.380 nan 0.000 0.448 91 Q N -0.797 118.955 119.800 -0.080 0.000 2.282 91 Q HA 0.167 4.504 4.340 -0.004 0.000 0.206 91 Q C -0.608 175.187 176.000 -0.342 0.000 0.878 91 Q CA -0.039 55.678 55.803 -0.143 0.000 0.944 91 Q CB 0.303 28.955 28.738 -0.144 0.000 1.100 91 Q HN 0.381 nan 8.270 nan 0.000 0.509 92 Y N -0.734 119.394 120.300 -0.287 0.000 2.420 92 Y HA 0.379 4.927 4.550 -0.003 0.000 0.334 92 Y C -0.722 174.888 175.900 -0.483 0.000 1.094 92 Y CA -0.899 57.046 58.100 -0.259 0.000 1.126 92 Y CB 1.125 39.355 38.460 -0.383 0.000 1.217 92 Y HN -0.026 nan 8.280 nan 0.000 0.462 93 W N 1.690 123.089 121.300 0.164 0.000 2.957 93 W HA 0.482 5.138 4.660 -0.006 0.000 0.336 93 W C -1.605 175.010 176.519 0.159 0.000 1.087 93 W CA -1.055 56.368 57.345 0.129 0.000 1.235 93 W CB 0.774 30.297 29.460 0.105 0.000 1.399 93 W HN 0.320 nan 8.180 nan 0.000 0.480 94 Y N 2.973 123.553 120.300 0.465 0.000 2.359 94 Y HA 0.395 4.944 4.550 -0.002 0.000 0.330 94 Y C 0.476 176.570 175.900 0.324 0.000 1.143 94 Y CA -0.277 58.060 58.100 0.396 0.000 1.318 94 Y CB 0.478 39.106 38.460 0.279 0.000 1.234 94 Y HN 0.081 nan 8.280 nan 0.000 0.522 95 L N 5.891 127.378 121.223 0.440 0.000 2.318 95 L HA 0.472 4.810 4.340 -0.004 0.000 0.277 95 L C -1.045 175.887 176.870 0.104 0.000 1.008 95 L CA -0.319 54.572 54.840 0.084 0.000 0.846 95 L CB 0.636 42.452 42.059 -0.406 0.000 1.220 95 L HN 0.458 nan 8.230 nan 0.000 0.423 96 L N 3.718 125.000 121.223 0.097 0.000 2.325 96 L HA 0.522 4.860 4.340 -0.004 0.000 0.281 96 L C -0.383 176.516 176.870 0.048 0.000 1.004 96 L CA -0.355 54.537 54.840 0.087 0.000 0.823 96 L CB 2.159 44.283 42.059 0.108 0.000 1.236 96 L HN 0.583 nan 8.230 nan 0.000 0.415 97 Q N 2.608 122.419 119.800 0.018 0.000 2.274 97 Q HA 0.264 4.602 4.340 -0.004 0.000 0.260 97 Q C -0.573 175.444 176.000 0.028 0.000 0.974 97 Q CA -0.718 55.085 55.803 0.000 0.000 0.876 97 Q CB 1.825 30.541 28.738 -0.037 0.000 1.297 97 Q HN 0.506 nan 8.270 nan 0.000 0.446 98 N N 2.976 121.673 118.700 -0.005 0.000 2.401 98 N HA -0.051 4.687 4.740 -0.004 0.000 0.255 98 N C 0.095 175.609 175.510 0.007 0.000 1.110 98 N CA 0.295 53.338 53.050 -0.013 0.000 0.949 98 N CB 0.512 38.928 38.487 -0.118 0.000 1.110 98 N HN 0.747 nan 8.380 nan 0.000 0.490 99 Y N 5.210 125.482 120.300 -0.047 0.000 2.165 99 Y HA -0.146 4.402 4.550 -0.004 0.000 0.286 99 Y C 1.611 177.486 175.900 -0.040 0.000 1.155 99 Y CA 1.740 59.817 58.100 -0.039 0.000 1.164 99 Y CB 0.099 38.542 38.460 -0.028 0.000 0.978 99 Y HN 0.647 nan 8.280 nan 0.000 0.513 100 I N -0.913 119.590 120.570 -0.111 0.000 2.339 100 I HA -0.199 3.969 4.170 -0.004 0.000 0.245 100 I C 2.556 178.566 176.117 -0.177 0.000 1.096 100 I CA 1.257 62.453 61.300 -0.174 0.000 1.408 100 I CB -0.553 37.429 38.000 -0.030 0.000 1.092 100 I HN 0.259 nan 8.210 nan 0.000 0.423 101 S N 0.341 115.953 115.700 -0.147 0.000 2.461 101 S HA -0.079 4.389 4.470 -0.004 0.000 0.228 101 S C 1.303 175.811 174.600 -0.154 0.000 1.005 101 S CA 0.121 58.226 58.200 -0.159 0.000 0.942 101 S CB 0.094 63.164 63.200 -0.216 0.000 0.776 101 S HN 0.348 nan 8.310 nan 0.000 0.514 102 R N -0.179 120.227 120.500 -0.156 0.000 3.840 102 R HA -0.096 4.242 4.340 -0.004 0.000 0.464 102 R C -1.018 175.240 176.300 -0.070 0.000 0.986 102 R CA 0.976 57.008 56.100 -0.113 0.000 1.305 102 R CB -3.080 27.167 30.300 -0.088 0.000 1.950 102 R HN 0.512 nan 8.270 nan 0.000 0.526 103 N N 1.212 119.831 118.700 -0.135 0.000 2.492 103 N HA 0.234 4.972 4.740 -0.004 0.000 0.260 103 N C -0.070 175.441 175.510 0.003 0.000 1.215 103 N CA 0.175 53.160 53.050 -0.109 0.000 0.923 103 N CB 0.957 39.158 38.487 -0.476 0.000 1.092 103 N HN -0.074 nan 8.380 nan 0.000 0.448 104 V N 3.019 123.047 119.914 0.191 0.000 2.540 104 V HA 0.438 4.556 4.120 -0.004 0.000 0.302 104 V C 0.458 176.788 176.094 0.393 0.000 1.035 104 V CA -0.750 61.669 62.300 0.200 0.000 0.873 104 V CB 1.611 33.473 31.823 0.064 0.000 0.992 104 V HN 0.459 nan 8.190 nan 0.000 0.428 105 I N 5.051 125.814 120.570 0.321 0.000 2.365 105 I HA 0.407 4.575 4.170 -0.004 0.000 0.291 105 I C -0.341 175.926 176.117 0.251 0.000 1.004 105 I CA -0.250 61.251 61.300 0.335 0.000 1.311 105 I CB 1.377 39.540 38.000 0.271 0.000 1.401 105 I HN 0.455 nan 8.210 nan 0.000 0.491 106 I N 7.006 127.717 120.570 0.235 0.000 2.347 106 I HA 0.340 4.507 4.170 -0.004 0.000 0.283 106 I C 0.079 176.394 176.117 0.329 0.000 1.058 106 I CA -0.388 61.005 61.300 0.154 0.000 1.202 106 I CB 0.540 38.419 38.000 -0.201 0.000 1.386 106 I HN 0.524 nan 8.210 nan 0.000 0.475 107 R N 5.729 126.498 120.500 0.448 0.000 2.338 107 R HA 0.278 4.616 4.340 -0.004 0.000 0.317 107 R C -0.105 176.479 176.300 0.472 0.000 0.968 107 R CA -0.590 55.766 56.100 0.425 0.000 0.849 107 R CB 1.080 31.590 30.300 0.350 0.000 1.128 107 R HN 0.576 nan 8.270 nan 0.000 0.448 108 N N 3.251 122.076 118.700 0.208 0.000 2.492 108 N HA -0.129 4.609 4.740 -0.004 0.000 0.262 108 N C 0.352 175.825 175.510 -0.062 0.000 1.202 108 N CA 0.293 53.203 53.050 -0.234 0.000 0.926 108 N CB 0.595 38.768 38.487 -0.523 0.000 1.078 108 N HN 0.644 nan 8.380 nan 0.000 0.454 109 Y N 4.413 124.536 120.300 -0.294 0.000 2.220 109 Y HA -0.141 4.406 4.550 -0.004 0.000 0.291 109 Y C 2.502 178.371 175.900 -0.053 0.000 1.129 109 Y CA 1.624 59.577 58.100 -0.244 0.000 1.161 109 Y CB -0.006 38.239 38.460 -0.359 0.000 0.997 109 Y HN 0.692 nan 8.280 nan 0.000 0.522 110 M N 0.014 119.604 119.600 -0.016 0.000 2.132 110 M HA -0.151 4.327 4.480 -0.004 0.000 0.263 110 M C -0.083 176.226 176.300 0.016 0.000 1.065 110 M CA 1.815 57.136 55.300 0.035 0.000 1.122 110 M CB 0.025 32.779 32.600 0.256 0.000 1.365 110 M HN 0.211 nan 8.290 nan 0.000 0.411 111 N N 0.295 118.994 118.700 -0.002 0.000 2.664 111 N HA 0.288 5.025 4.740 -0.004 0.000 0.257 111 N C -2.419 173.010 175.510 -0.136 0.000 1.108 111 N CA -2.065 50.935 53.050 -0.083 0.000 0.822 111 N CB 1.220 39.635 38.487 -0.121 0.000 1.199 111 N HN 0.070 nan 8.380 nan 0.000 0.529 112 P HA 0.008 nan 4.420 nan 0.000 0.239 112 P C 0.352 177.634 177.300 -0.029 0.000 1.184 112 P CA 0.438 63.547 63.100 0.015 0.000 0.760 112 P CB 0.452 32.179 31.700 0.045 0.000 0.884 113 N N -0.155 118.505 118.700 -0.066 0.000 2.459 113 N HA 0.018 4.756 4.740 -0.004 0.000 0.181 113 N C 0.688 176.143 175.510 -0.091 0.000 1.046 113 N CA 0.617 53.627 53.050 -0.067 0.000 0.904 113 N CB 0.026 38.476 38.487 -0.062 0.000 0.964 113 N HN 0.311 nan 8.380 nan 0.000 0.444 114 L N 0.857 121.990 121.223 -0.150 0.000 2.329 114 L HA 0.485 4.823 4.340 -0.004 0.000 0.279 114 L C -0.063 176.763 176.870 -0.074 0.000 1.014 114 L CA -0.958 53.766 54.840 -0.194 0.000 0.814 114 L CB 2.026 43.803 42.059 -0.470 0.000 1.257 114 L HN -0.230 nan 8.230 nan 0.000 0.424 115 V N 0.675 120.585 119.914 -0.007 0.000 3.001 115 V HA 0.542 4.660 4.120 -0.004 0.000 0.314 115 V C -0.445 175.722 176.094 0.122 0.000 1.099 115 V CA -1.131 61.235 62.300 0.110 0.000 0.989 115 V CB 2.094 33.976 31.823 0.098 0.000 1.040 115 V HN 0.571 nan 8.190 nan 0.000 0.434 116 L N 2.506 123.826 121.223 0.161 0.000 2.456 116 L HA 0.430 4.768 4.340 -0.004 0.000 0.272 116 L C 0.073 177.100 176.870 0.261 0.000 1.189 116 L CA 1.017 55.916 54.840 0.098 0.000 0.846 116 L CB 0.671 42.594 42.059 -0.227 0.000 1.111 116 L HN 1.058 nan 8.230 nan 0.000 0.475 117 Q N 3.429 123.359 119.800 0.217 0.000 2.372 117 Q HA 0.373 4.711 4.340 -0.004 0.000 0.273 117 Q C -1.865 174.260 176.000 0.209 0.000 1.078 117 Q CA -0.905 54.977 55.803 0.132 0.000 0.806 117 Q CB 1.865 30.593 28.738 -0.017 0.000 1.332 117 Q HN 0.626 nan 8.270 nan 0.000 0.435 118 Y N 1.540 121.883 120.300 0.071 0.000 2.342 118 Y HA 0.614 5.161 4.550 -0.004 0.000 0.334 118 Y C -0.682 175.213 175.900 -0.007 0.000 1.067 118 Y CA -0.975 57.152 58.100 0.045 0.000 1.128 118 Y CB 0.945 39.405 38.460 0.000 0.000 1.200 118 Y HN 0.437 nan 8.280 nan 0.000 0.464 119 N N 3.224 121.998 118.700 0.123 0.000 2.476 119 N HA 0.258 4.996 4.740 -0.004 0.000 0.276 119 N C 1.016 176.586 175.510 0.101 0.000 1.204 119 N CA -0.672 52.403 53.050 0.042 0.000 0.974 119 N CB 1.283 39.798 38.487 0.048 0.000 1.204 119 N HN 0.680 nan 8.380 nan 0.000 0.543 120 I N 0.841 121.440 120.570 0.048 0.000 2.264 120 I HA -0.238 3.930 4.170 -0.004 0.000 0.248 120 I C 1.324 177.480 176.117 0.066 0.000 1.111 120 I CA 1.548 62.882 61.300 0.056 0.000 1.382 120 I CB -0.997 37.017 38.000 0.023 0.000 1.060 120 I HN 0.584 nan 8.210 nan 0.000 0.418 121 D N -0.521 119.920 120.400 0.067 0.000 2.324 121 D HA -0.104 4.534 4.640 -0.004 0.000 0.235 121 D C 0.428 176.789 176.300 0.101 0.000 1.095 121 D CA 0.200 54.244 54.000 0.073 0.000 0.871 121 D CB -0.299 40.541 40.800 0.067 0.000 0.906 121 D HN 0.245 nan 8.370 nan 0.000 0.522 122 D N -0.831 119.640 120.400 0.119 0.000 2.911 122 D HA -0.164 4.474 4.640 -0.004 0.000 0.199 122 D C 0.164 176.563 176.300 0.166 0.000 1.041 122 D CA 1.469 55.556 54.000 0.144 0.000 1.013 122 D CB -2.041 38.842 40.800 0.138 0.000 1.093 122 D HN 0.582 nan 8.370 nan 0.000 0.431 123 T N -1.214 113.427 114.554 0.145 0.000 2.828 123 T HA 0.578 4.926 4.350 -0.004 0.000 0.290 123 T C 0.539 175.328 174.700 0.149 0.000 1.019 123 T CA -0.618 61.563 62.100 0.134 0.000 1.031 123 T CB 1.743 70.675 68.868 0.107 0.000 1.001 123 T HN 0.116 nan 8.240 nan 0.000 0.531 124 L N 1.559 122.861 121.223 0.133 0.000 2.341 124 L HA 0.803 5.141 4.340 -0.004 0.000 0.267 124 L C 0.083 177.023 176.870 0.117 0.000 1.009 124 L CA -0.934 53.989 54.840 0.138 0.000 0.819 124 L CB 1.990 44.111 42.059 0.105 0.000 1.323 124 L HN 0.962 nan 8.230 nan 0.000 0.425 125 M N 0.656 120.326 119.600 0.116 0.000 3.008 125 M HA 0.737 5.215 4.480 -0.004 0.000 0.271 125 M C -1.504 174.861 176.300 0.109 0.000 1.265 125 M CA -0.972 54.401 55.300 0.121 0.000 0.817 125 M CB 2.096 34.754 32.600 0.098 0.000 1.638 125 M HN 0.246 nan 8.290 nan 0.000 0.479 126 V N -0.666 119.309 119.914 0.101 0.000 2.834 126 V HA 0.970 5.088 4.120 -0.004 0.000 0.313 126 V C -0.377 175.704 176.094 -0.021 0.000 1.060 126 V CA -0.104 62.202 62.300 0.011 0.000 0.989 126 V CB 1.334 33.050 31.823 -0.179 0.000 1.041 126 V HN 1.056 nan 8.190 nan 0.000 0.459 127 S N 1.450 117.119 115.700 -0.051 0.000 2.565 127 S HA 0.638 5.106 4.470 -0.004 0.000 0.269 127 S C -0.221 174.339 174.600 -0.067 0.000 1.153 127 S CA 0.007 58.178 58.200 -0.049 0.000 0.835 127 S CB 1.777 64.954 63.200 -0.039 0.000 1.122 127 S HN 1.775 nan 8.310 nan 0.000 0.462 128 T N 0.851 115.370 114.554 -0.059 0.000 2.856 128 T HA 0.306 4.654 4.350 -0.004 0.000 0.306 128 T C 0.215 174.880 174.700 -0.058 0.000 1.062 128 T CA -0.295 61.771 62.100 -0.057 0.000 1.083 128 T CB 0.268 69.110 68.868 -0.044 0.000 0.984 128 T HN 0.749 nan 8.240 nan 0.000 0.542 129 Q N 1.050 120.818 119.800 -0.054 0.000 2.304 129 Q HA 0.390 4.728 4.340 -0.004 0.000 0.260 129 Q C 0.284 176.239 176.000 -0.074 0.000 0.965 129 Q CA -0.533 55.232 55.803 -0.064 0.000 0.898 129 Q CB 0.516 29.228 28.738 -0.043 0.000 1.196 129 Q HN 0.959 nan 8.270 nan 0.000 0.402 130 T N -0.973 113.515 114.554 -0.110 0.000 2.768 130 T HA 0.364 4.712 4.350 -0.004 0.000 0.268 130 T C 0.711 175.332 174.700 -0.131 0.000 0.969 130 T CA -0.121 61.914 62.100 -0.107 0.000 1.008 130 T CB 0.929 69.728 68.868 -0.116 0.000 1.371 130 T HN 0.548 nan 8.240 nan 0.000 0.587 131 S N -0.360 115.276 115.700 -0.107 0.000 2.557 131 S HA 0.254 4.722 4.470 -0.004 0.000 0.223 131 S C 0.740 175.258 174.600 -0.137 0.000 0.969 131 S CA -0.210 57.938 58.200 -0.086 0.000 0.927 131 S CB -0.949 62.242 63.200 -0.015 0.000 0.806 131 S HN 0.982 nan 8.310 nan 0.000 0.489 132 S N 1.603 117.172 115.700 -0.218 0.000 2.584 132 S HA 0.365 4.833 4.470 -0.004 0.000 0.273 132 S C 1.118 175.492 174.600 -0.377 0.000 1.311 132 S CA -0.080 57.987 58.200 -0.221 0.000 1.034 132 S CB 1.316 64.394 63.200 -0.202 0.000 0.939 132 S HN 0.471 nan 8.310 nan 0.000 0.513 133 S N 1.137 116.731 115.700 -0.175 0.000 2.507 133 S HA -0.168 4.300 4.470 -0.004 0.000 0.235 133 S C 1.349 175.808 174.600 -0.235 0.000 0.988 133 S CA 0.677 58.857 58.200 -0.033 0.000 0.944 133 S CB -0.901 62.400 63.200 0.170 0.000 0.762 133 S HN 0.911 nan 8.310 nan 0.000 0.526 134 N N 1.528 119.929 118.700 -0.498 0.000 2.571 134 N HA -0.093 4.645 4.740 -0.004 0.000 0.189 134 N C 0.868 175.875 175.510 -0.838 0.000 1.154 134 N CA 0.513 52.926 53.050 -1.061 0.000 0.907 134 N CB -0.523 37.459 38.487 -0.842 0.000 0.977 134 N HN 0.658 nan 8.380 nan 0.000 0.449 135 Q N -0.994 118.477 119.800 -0.548 0.000 2.139 135 Q HA 0.255 4.593 4.340 -0.004 0.000 0.219 135 Q C -1.002 174.891 176.000 -0.177 0.000 0.805 135 Q CA -0.306 55.308 55.803 -0.315 0.000 1.024 135 Q CB 0.496 29.053 28.738 -0.301 0.000 1.163 135 Q HN 0.152 nan 8.270 nan 0.000 0.485 136 F N 0.237 120.129 119.950 -0.096 0.000 2.436 136 F HA 0.488 5.013 4.527 -0.004 0.000 0.340 136 F C -0.219 175.461 175.800 -0.201 0.000 1.113 136 F CA -1.317 56.679 58.000 -0.007 0.000 1.022 136 F CB 0.712 39.719 39.000 0.012 0.000 1.128 136 F HN -0.148 nan 8.300 nan 0.000 0.466 137 F N 1.568 121.727 119.950 0.349 0.000 2.577 137 F HA 0.550 5.076 4.527 -0.002 0.000 0.318 137 F C -0.126 175.791 175.800 0.196 0.000 1.065 137 F CA -1.064 57.050 58.000 0.190 0.000 0.929 137 F CB 2.040 41.116 39.000 0.128 0.000 1.237 137 F HN 0.176 nan 8.300 nan 0.000 0.468 138 K N 2.014 122.580 120.400 0.278 0.000 2.221 138 K HA 0.532 4.850 4.320 -0.004 0.000 0.258 138 K C -1.549 175.197 176.600 0.243 0.000 0.944 138 K CA -0.604 55.834 56.287 0.251 0.000 0.823 138 K CB 1.813 34.390 32.500 0.128 0.000 1.113 138 K HN 0.451 nan 8.250 nan 0.000 0.431 139 F N 0.745 120.725 119.950 0.050 0.000 2.427 139 F HA 0.245 4.769 4.527 -0.004 0.000 0.346 139 F C 0.197 176.146 175.800 0.248 0.000 1.120 139 F CA -0.559 57.476 58.000 0.059 0.000 1.033 139 F CB 1.982 40.814 39.000 -0.281 0.000 1.126 139 F HN 0.307 nan 8.300 nan 0.000 0.462 140 S N 3.321 119.340 115.700 0.531 0.000 2.659 140 S HA 0.156 4.624 4.470 -0.004 0.000 0.312 140 S C -0.588 174.307 174.600 0.491 0.000 1.114 140 S CA -0.927 57.565 58.200 0.488 0.000 1.063 140 S CB 0.857 64.320 63.200 0.438 0.000 0.996 140 S HN 0.586 nan 8.310 nan 0.000 0.478 141 N N 1.911 120.800 118.700 0.314 0.000 2.440 141 N HA -0.014 4.724 4.740 -0.004 0.000 0.265 141 N C 0.967 176.493 175.510 0.028 0.000 1.239 141 N CA -0.010 52.980 53.050 -0.102 0.000 0.909 141 N CB 0.535 38.933 38.487 -0.149 0.000 1.066 141 N HN 0.611 nan 8.380 nan 0.000 0.474 142 C N 3.949 123.162 119.300 -0.145 0.000 2.432 142 C HA -0.093 4.365 4.460 -0.004 0.000 0.277 142 C C 2.694 177.743 174.990 0.098 0.000 1.249 142 C CA 0.241 59.203 59.018 -0.092 0.000 1.725 142 C CB -0.899 26.690 27.740 -0.252 0.000 2.028 142 C HN 0.780 nan 8.230 nan 0.000 0.477 143 I N -0.650 119.922 120.570 0.004 0.000 2.315 143 I HA -0.206 3.962 4.170 -0.004 0.000 0.248 143 I C 2.486 178.682 176.117 0.132 0.000 1.117 143 I CA 1.607 62.916 61.300 0.014 0.000 1.404 143 I CB -0.500 37.416 38.000 -0.142 0.000 1.071 143 I HN 0.359 nan 8.210 nan 0.000 0.419 144 Y N 1.714 122.066 120.300 0.088 0.000 2.145 144 Y HA -0.310 4.238 4.550 -0.004 0.000 0.286 144 Y C 2.568 178.539 175.900 0.118 0.000 1.145 144 Y CA 2.106 60.286 58.100 0.134 0.000 1.148 144 Y CB -0.235 38.212 38.460 -0.022 0.000 0.981 144 Y HN 0.173 nan 8.280 nan 0.000 0.507 145 E N -0.143 120.184 120.200 0.211 0.000 2.058 145 E HA -0.255 4.093 4.350 -0.004 0.000 0.194 145 E C 2.200 178.847 176.600 0.080 0.000 0.997 145 E CA 1.368 57.860 56.400 0.154 0.000 0.801 145 E CB -0.339 29.552 29.700 0.318 0.000 0.746 145 E HN 0.555 nan 8.360 nan 0.000 0.450 146 A N 0.296 123.190 122.820 0.124 0.000 1.898 146 A HA -0.008 4.310 4.320 -0.004 0.000 0.214 146 A C 2.018 179.621 177.584 0.031 0.000 1.183 146 A CA 0.938 53.039 52.037 0.107 0.000 0.622 146 A CB -0.120 18.984 19.000 0.174 0.000 0.824 146 A HN 0.315 nan 8.150 nan 0.000 0.444 147 L N -1.254 119.962 121.223 -0.012 0.000 2.672 147 L HA 0.158 4.496 4.340 -0.004 0.000 0.236 147 L C 0.468 177.316 176.870 -0.037 0.000 1.092 147 L CA -0.310 54.496 54.840 -0.057 0.000 0.887 147 L CB -0.241 41.718 42.059 -0.166 0.000 1.168 147 L HN 0.253 nan 8.230 nan 0.000 0.502 148 N N 1.567 120.226 118.700 -0.069 0.000 2.454 148 N HA -0.051 4.687 4.740 -0.004 0.000 0.260 148 N C 0.321 175.817 175.510 -0.024 0.000 1.218 148 N CA 0.516 53.544 53.050 -0.037 0.000 0.904 148 N CB 0.113 38.337 38.487 -0.438 0.000 1.065 148 N HN 0.066 nan 8.380 nan 0.000 0.462 149 N N 0.869 119.611 118.700 0.070 0.000 2.725 149 N HA -0.213 4.525 4.740 -0.004 0.000 0.249 149 N C -1.148 174.387 175.510 0.041 0.000 1.103 149 N CA 0.725 53.814 53.050 0.065 0.000 0.707 149 N CB -0.624 37.889 38.487 0.044 0.000 1.043 149 N HN 0.581 nan 8.380 nan 0.000 0.553 150 R N 0.661 121.185 120.500 0.039 0.000 2.589 150 R HA 0.326 4.664 4.340 -0.004 0.000 0.293 150 R C 0.150 176.472 176.300 0.038 0.000 0.963 150 R CA -0.813 55.303 56.100 0.025 0.000 0.905 150 R CB 0.939 31.244 30.300 0.008 0.000 1.144 150 R HN 0.044 nan 8.270 nan 0.000 0.459 151 N N 1.095 119.815 118.700 0.032 0.000 2.430 151 N HA 0.146 4.884 4.740 -0.004 0.000 0.265 151 N C -1.088 174.452 175.510 0.050 0.000 1.100 151 N CA 0.057 53.131 53.050 0.039 0.000 0.961 151 N CB 0.391 38.889 38.487 0.018 0.000 1.075 151 N HN 0.416 nan 8.380 nan 0.000 0.478 152 C N 2.373 121.725 119.300 0.087 0.000 2.971 152 C HA 0.626 5.084 4.460 -0.004 0.000 0.310 152 C C -0.390 174.712 174.990 0.186 0.000 1.285 152 C CA -1.007 58.065 59.018 0.089 0.000 1.593 152 C CB 1.869 29.627 27.740 0.030 0.000 2.076 152 C HN 0.739 nan 8.230 nan 0.000 0.472 153 K N 0.617 121.113 120.400 0.159 0.000 2.267 153 K HA 0.901 5.219 4.320 -0.004 0.000 0.246 153 K C -1.957 174.810 176.600 0.277 0.000 0.954 153 K CA -0.573 55.891 56.287 0.294 0.000 0.824 153 K CB 1.239 33.804 32.500 0.110 0.000 1.167 153 K HN 0.421 nan 8.250 nan 0.000 0.431 154 L N 1.955 123.407 121.223 0.382 0.000 2.372 154 L HA 0.299 4.637 4.340 -0.004 0.000 0.273 154 L C -0.574 176.524 176.870 0.381 0.000 0.989 154 L CA -0.306 54.672 54.840 0.230 0.000 0.841 154 L CB 1.875 43.858 42.059 -0.127 0.000 1.225 154 L HN 0.690 nan 8.230 nan 0.000 0.414 155 Q N 1.670 121.584 119.800 0.189 0.000 2.271 155 Q HA 0.341 4.679 4.340 -0.004 0.000 0.258 155 Q C -0.344 175.600 176.000 -0.093 0.000 0.936 155 Q CA -0.455 55.189 55.803 -0.265 0.000 0.909 155 Q CB 1.923 30.335 28.738 -0.543 0.000 1.253 155 Q HN 0.580 nan 8.270 nan 0.000 0.440 156 T N 1.880 116.252 114.554 -0.304 0.000 2.901 156 T HA -0.046 4.302 4.350 -0.004 0.000 0.301 156 T C 0.984 175.414 174.700 -0.451 0.000 1.012 156 T CA -0.031 61.658 62.100 -0.686 0.000 1.135 156 T CB 1.044 69.478 68.868 -0.723 0.000 0.936 156 T HN 0.767 nan 8.240 nan 0.000 0.539 157 Q N 3.655 123.185 119.800 -0.449 0.000 2.297 157 Q HA -0.034 4.304 4.340 -0.004 0.000 0.208 157 Q C 1.806 177.659 176.000 -0.246 0.000 0.981 157 Q CA 1.594 57.228 55.803 -0.281 0.000 0.876 157 Q CB -0.591 28.000 28.738 -0.245 0.000 0.921 157 Q HN 0.886 nan 8.270 nan 0.000 0.446 158 L N -0.301 120.749 121.223 -0.288 0.000 2.191 158 L HA -0.047 4.291 4.340 -0.004 0.000 0.212 158 L C 0.928 177.697 176.870 -0.168 0.000 1.103 158 L CA 0.810 55.522 54.840 -0.213 0.000 0.769 158 L CB -0.136 41.793 42.059 -0.217 0.000 0.908 158 L HN 0.243 nan 8.230 nan 0.000 0.438 159 N N -1.511 117.077 118.700 -0.185 0.000 2.452 159 N HA 0.005 4.743 4.740 -0.004 0.000 0.277 159 N C 0.512 175.921 175.510 -0.168 0.000 1.078 159 N CA 0.372 53.336 53.050 -0.144 0.000 0.947 159 N CB 1.718 40.135 38.487 -0.115 0.000 1.655 159 N HN -0.107 nan 8.380 nan 0.000 0.490 160 S N 1.210 116.841 115.700 -0.115 0.000 2.469 160 S HA -0.111 4.356 4.470 -0.004 0.000 0.238 160 S C 0.600 175.150 174.600 -0.083 0.000 0.998 160 S CA 0.994 59.131 58.200 -0.105 0.000 0.957 160 S CB 0.046 63.221 63.200 -0.042 0.000 0.764 160 S HN 0.598 nan 8.310 nan 0.000 0.514 161 D N 0.873 121.257 120.400 -0.026 0.000 2.891 161 D HA 0.279 4.917 4.640 -0.004 0.000 0.332 161 D C -0.681 175.715 176.300 0.159 0.000 1.369 161 D CA -0.375 53.736 54.000 0.185 0.000 0.827 161 D CB 0.201 41.142 40.800 0.235 0.000 1.141 161 D HN 0.010 nan 8.370 nan 0.000 0.464 162 R N 0.761 121.182 120.500 -0.132 0.000 2.502 162 R HA 0.444 4.782 4.340 -0.004 0.000 0.300 162 R C -1.169 175.031 176.300 -0.166 0.000 0.984 162 R CA -0.519 55.585 56.100 0.006 0.000 0.882 162 R CB 0.774 31.053 30.300 -0.035 0.000 1.180 162 R HN 0.019 nan 8.270 nan 0.000 0.444 163 F N 1.225 121.376 119.950 0.334 0.000 2.563 163 F HA 0.381 4.906 4.527 -0.003 0.000 0.316 163 F C 0.399 176.452 175.800 0.421 0.000 1.076 163 F CA -1.252 56.991 58.000 0.404 0.000 0.921 163 F CB 1.261 40.573 39.000 0.520 0.000 1.209 163 F HN 0.212 nan 8.300 nan 0.000 0.462 164 L N 2.641 124.189 121.223 0.540 0.000 2.615 164 L HA 0.246 4.584 4.340 -0.004 0.000 0.271 164 L C -0.435 176.782 176.870 0.579 0.000 1.183 164 L CA 0.954 55.987 54.840 0.321 0.000 0.933 164 L CB -0.570 41.350 42.059 -0.232 0.000 1.199 164 L HN 0.562 nan 8.230 nan 0.000 0.487 165 S N 4.625 120.634 115.700 0.514 0.000 2.548 165 S HA 0.358 4.826 4.470 -0.004 0.000 0.276 165 S C -0.860 173.960 174.600 0.367 0.000 1.129 165 S CA -0.984 57.498 58.200 0.470 0.000 0.931 165 S CB 1.644 65.095 63.200 0.417 0.000 1.068 165 S HN 0.581 nan 8.310 nan 0.000 0.480 166 K N 1.990 122.537 120.400 0.245 0.000 2.412 166 K HA 0.123 4.441 4.320 -0.004 0.000 0.281 166 K C 0.047 176.668 176.600 0.036 0.000 1.027 166 K CA -0.203 56.160 56.287 0.127 0.000 0.989 166 K CB 0.280 32.774 32.500 -0.010 0.000 0.935 166 K HN 0.578 nan 8.250 nan 0.000 0.475 167 N N 2.650 121.370 118.700 0.033 0.000 2.453 167 N HA -0.002 4.736 4.740 -0.004 0.000 0.253 167 N C -0.806 174.645 175.510 -0.099 0.000 1.252 167 N CA -0.345 52.677 53.050 -0.047 0.000 0.917 167 N CB 0.399 38.879 38.487 -0.011 0.000 1.117 167 N HN 0.419 nan 8.380 nan 0.000 0.442 168 L N 3.176 124.291 121.223 -0.180 0.000 2.455 168 L HA 0.136 4.474 4.340 -0.004 0.000 0.272 168 L C 0.366 177.182 176.870 -0.089 0.000 1.174 168 L CA 0.558 55.304 54.840 -0.155 0.000 0.869 168 L CB -0.561 41.368 42.059 -0.216 0.000 1.130 168 L HN 0.831 nan 8.230 nan 0.000 0.474 169 N N 1.455 120.115 118.700 -0.067 0.000 2.725 169 N HA -0.224 4.514 4.740 -0.004 0.000 0.249 169 N C -0.809 174.693 175.510 -0.014 0.000 1.103 169 N CA 1.176 54.203 53.050 -0.038 0.000 0.707 169 N CB -0.710 37.755 38.487 -0.037 0.000 1.043 169 N HN 1.016 nan 8.380 nan 0.000 0.553 170 S N -2.394 113.303 115.700 -0.006 0.000 2.615 170 S HA 0.440 4.907 4.470 -0.004 0.000 0.269 170 S C 0.039 174.665 174.600 0.043 0.000 1.161 170 S CA -0.709 57.507 58.200 0.026 0.000 0.817 170 S CB 1.315 64.536 63.200 0.035 0.000 1.131 170 S HN -0.013 nan 8.310 nan 0.000 0.467 171 Q N 0.606 120.454 119.800 0.080 0.000 2.392 171 Q HA 0.368 4.706 4.340 -0.004 0.000 0.203 171 Q C 0.181 176.268 176.000 0.145 0.000 0.917 171 Q CA 0.209 56.079 55.803 0.112 0.000 0.939 171 Q CB -0.237 28.588 28.738 0.145 0.000 1.063 171 Q HN 0.708 nan 8.270 nan 0.000 0.516 172 I N 1.444 122.091 120.570 0.127 0.000 2.648 172 I HA -0.012 4.155 4.170 -0.004 0.000 0.284 172 I C 0.310 176.508 176.117 0.134 0.000 1.153 172 I CA 0.082 61.464 61.300 0.137 0.000 1.426 172 I CB 0.509 38.565 38.000 0.094 0.000 1.381 172 I HN -0.078 nan 8.210 nan 0.000 0.571 173 I N 7.052 127.723 120.570 0.168 0.000 2.359 173 I HA 0.385 4.553 4.170 -0.004 0.000 0.294 173 I C -0.097 176.114 176.117 0.158 0.000 0.987 173 I CA -0.445 60.968 61.300 0.189 0.000 1.225 173 I CB 1.382 39.495 38.000 0.188 0.000 1.366 173 I HN 0.348 nan 8.210 nan 0.000 0.466 174 V N 4.348 124.377 119.914 0.192 0.000 3.167 174 V HA 0.573 4.691 4.120 -0.004 0.000 0.310 174 V C -0.598 175.674 176.094 0.296 0.000 1.207 174 V CA -1.122 61.294 62.300 0.193 0.000 1.059 174 V CB 1.936 33.857 31.823 0.164 0.000 1.079 174 V HN 0.479 nan 8.190 nan 0.000 0.446 175 L N 1.924 123.313 121.223 0.276 0.000 2.371 175 L HA 0.459 4.797 4.340 -0.004 0.000 0.272 175 L C -0.550 176.561 176.870 0.401 0.000 1.124 175 L CA 0.051 55.075 54.840 0.306 0.000 0.816 175 L CB 1.052 43.212 42.059 0.168 0.000 1.129 175 L HN 0.739 nan 8.230 nan 0.000 0.448 176 W N 3.499 124.960 121.300 0.269 0.000 3.372 176 W HA 0.209 4.867 4.660 -0.003 0.000 0.315 176 W C -0.848 175.911 176.519 0.400 0.000 1.223 176 W CA -0.804 56.706 57.345 0.276 0.000 1.202 176 W CB 2.006 31.645 29.460 0.300 0.000 1.367 176 W HN 0.644 nan 8.180 nan 0.000 0.531 177 Q N 3.357 123.312 119.800 0.257 0.000 2.479 177 Q HA -0.077 4.261 4.340 -0.004 0.000 0.267 177 Q C 0.052 176.507 176.000 0.759 0.000 1.071 177 Q CA 0.366 56.447 55.803 0.462 0.000 0.935 177 Q CB 1.319 30.182 28.738 0.208 0.000 1.295 177 Q HN 0.485 nan 8.270 nan 0.000 0.476 178 W N 4.314 125.881 121.300 0.444 0.000 2.303 178 W HA 0.190 4.849 4.660 -0.003 0.000 0.318 178 W C -0.902 175.808 176.519 0.319 0.000 1.362 178 W CA -0.655 56.785 57.345 0.158 0.000 1.234 178 W CB 0.309 29.669 29.460 -0.167 0.000 1.248 178 W HN 0.847 nan 8.180 nan 0.000 0.546 179 F N 3.018 122.613 119.950 -0.591 0.000 2.811 179 F HA 0.190 4.715 4.527 -0.004 0.000 0.342 179 F C 0.162 175.528 175.800 -0.724 0.000 1.203 179 F CA -0.598 57.129 58.000 -0.455 0.000 1.173 179 F CB -0.566 38.331 39.000 -0.170 0.000 1.094 179 F HN 0.323 nan 8.300 nan 0.000 0.510 180 D N 1.708 121.073 120.400 -1.725 0.000 2.772 180 D HA -0.232 4.406 4.640 -0.004 0.000 0.233 180 D C -0.024 175.702 176.300 -0.957 0.000 1.143 180 D CA 1.105 54.386 54.000 -1.199 0.000 0.700 180 D CB -0.915 39.669 40.800 -0.359 0.000 1.076 180 D HN 0.501 nan 8.370 nan 0.000 0.430 181 S N -1.431 113.451 115.700 -1.363 0.000 2.554 181 S HA 0.498 4.966 4.470 -0.004 0.000 0.278 181 S C 1.427 175.595 174.600 -0.720 0.000 1.242 181 S CA 0.139 57.705 58.200 -1.058 0.000 1.051 181 S CB 1.564 63.764 63.200 -1.667 0.000 0.986 181 S HN 0.130 nan 8.310 nan 0.000 0.502 182 S N 3.464 118.872 115.700 -0.487 0.000 2.469 182 S HA -0.012 4.456 4.470 -0.004 0.000 0.238 182 S C 1.691 176.015 174.600 -0.459 0.000 0.998 182 S CA 0.659 58.621 58.200 -0.397 0.000 0.957 182 S CB -0.185 62.837 63.200 -0.297 0.000 0.764 182 S HN 0.673 nan 8.310 nan 0.000 0.514 183 R N 0.814 121.039 120.500 -0.459 0.000 2.316 183 R HA 0.058 4.396 4.340 -0.004 0.000 0.202 183 R C 1.180 177.239 176.300 -0.401 0.000 1.029 183 R CA 0.699 56.553 56.100 -0.410 0.000 1.018 183 R CB -0.025 30.115 30.300 -0.266 0.000 0.888 183 R HN 0.527 nan 8.270 nan 0.000 0.471 184 Q N -0.199 119.346 119.800 -0.424 0.000 2.159 184 Q HA 0.159 4.497 4.340 -0.004 0.000 0.217 184 Q C -0.606 175.367 176.000 -0.045 0.000 0.818 184 Q CA 0.070 55.803 55.803 -0.117 0.000 1.008 184 Q CB 1.127 29.738 28.738 -0.212 0.000 1.148 184 Q HN 0.012 nan 8.270 nan 0.000 0.491 185 K N 0.508 120.664 120.400 -0.407 0.000 2.292 185 K HA 0.422 4.740 4.320 -0.004 0.000 0.257 185 K C -1.559 174.736 176.600 -0.509 0.000 0.940 185 K CA -0.378 55.774 56.287 -0.224 0.000 0.811 185 K CB 1.314 33.722 32.500 -0.153 0.000 1.120 185 K HN -0.041 nan 8.250 nan 0.000 0.428 186 W N 3.720 125.006 121.300 -0.024 0.000 2.619 186 W HA 0.397 5.056 4.660 -0.003 0.000 0.327 186 W C -0.770 175.728 176.519 -0.035 0.000 1.027 186 W CA -0.634 56.681 57.345 -0.049 0.000 1.233 186 W CB 0.725 30.140 29.460 -0.076 0.000 1.370 186 W HN 0.301 nan 8.180 nan 0.000 0.453 187 I N 4.719 125.376 120.570 0.145 0.000 2.337 187 I HA 0.180 4.348 4.170 -0.004 0.000 0.291 187 I C 0.202 176.426 176.117 0.179 0.000 1.046 187 I CA -0.210 61.163 61.300 0.121 0.000 1.324 187 I CB 0.116 38.162 38.000 0.077 0.000 1.409 187 I HN 0.233 nan 8.210 nan 0.000 0.494 188 I N 7.085 127.742 120.570 0.146 0.000 2.315 188 I HA 0.309 4.477 4.170 -0.004 0.000 0.291 188 I C -0.097 176.181 176.117 0.267 0.000 1.006 188 I CA -0.296 61.104 61.300 0.167 0.000 1.265 188 I CB 0.546 38.555 38.000 0.015 0.000 1.387 188 I HN 0.594 nan 8.210 nan 0.000 0.475 189 E N 5.736 126.166 120.200 0.384 0.000 2.246 189 E HA 0.229 4.577 4.350 -0.004 0.000 0.266 189 E C -1.413 175.430 176.600 0.405 0.000 0.880 189 E CA -0.841 55.779 56.400 0.367 0.000 0.762 189 E CB 2.571 32.430 29.700 0.265 0.000 1.180 189 E HN 0.390 nan 8.360 nan 0.000 0.416 190 Y N 3.335 123.742 120.300 0.179 0.000 2.377 190 Y HA 0.065 4.613 4.550 -0.004 0.000 0.330 190 Y C 0.004 175.910 175.900 0.009 0.000 1.108 190 Y CA 0.010 58.022 58.100 -0.146 0.000 1.308 190 Y CB 0.576 39.002 38.460 -0.056 0.000 1.216 190 Y HN 0.445 nan 8.280 nan 0.000 0.518 191 N N 5.591 124.018 118.700 -0.455 0.000 2.437 191 N HA 0.049 4.787 4.740 -0.004 0.000 0.259 191 N C 0.360 175.556 175.510 -0.522 0.000 0.983 191 N CA -0.195 52.688 53.050 -0.279 0.000 0.937 191 N CB 1.015 39.469 38.487 -0.056 0.000 1.122 191 N HN 0.800 nan 8.380 nan 0.000 0.499 192 E N 2.144 122.222 120.200 -0.204 0.000 2.110 192 E HA -0.112 4.236 4.350 -0.004 0.000 0.193 192 E C 1.129 177.642 176.600 -0.144 0.000 0.988 192 E CA 1.476 57.820 56.400 -0.094 0.000 0.804 192 E CB -0.161 29.571 29.700 0.053 0.000 0.745 192 E HN 0.661 nan 8.360 nan 0.000 0.458 193 T N 1.829 116.290 114.554 -0.156 0.000 2.708 193 T HA -0.092 4.255 4.350 -0.004 0.000 0.266 193 T C 1.673 176.233 174.700 -0.234 0.000 1.037 193 T CA 1.087 63.091 62.100 -0.160 0.000 1.146 193 T CB 0.042 68.820 68.868 -0.150 0.000 0.865 193 T HN 0.009 nan 8.240 nan 0.000 0.435 194 K N 1.022 121.206 120.400 -0.361 0.000 2.400 194 K HA 0.251 4.569 4.320 -0.004 0.000 0.194 194 K C 0.854 177.262 176.600 -0.321 0.000 1.033 194 K CA 0.123 56.159 56.287 -0.418 0.000 1.021 194 K CB 0.101 32.141 32.500 -0.766 0.000 0.808 194 K HN 0.234 nan 8.250 nan 0.000 0.505 195 S N 0.230 115.697 115.700 -0.388 0.000 3.682 195 S HA -0.173 4.295 4.470 -0.004 0.000 0.354 195 S C -0.041 174.358 174.600 -0.336 0.000 1.034 195 S CA 0.660 58.652 58.200 -0.348 0.000 1.084 195 S CB -1.397 61.776 63.200 -0.044 0.000 0.903 195 S HN 0.666 nan 8.310 nan 0.000 0.470 196 A N -0.428 122.038 122.820 -0.589 0.000 2.564 196 A HA 0.775 5.092 4.320 -0.004 0.000 0.291 196 A C -1.371 176.081 177.584 -0.221 0.000 1.102 196 A CA -0.882 51.037 52.037 -0.195 0.000 0.660 196 A CB 0.795 19.839 19.000 0.073 0.000 1.283 196 A HN 0.263 nan 8.150 nan 0.000 0.430 197 Y N 0.458 120.900 120.300 0.237 0.000 2.376 197 Y HA 0.568 5.116 4.550 -0.004 0.000 0.325 197 Y C 1.300 177.371 175.900 0.285 0.000 1.199 197 Y CA 0.405 58.664 58.100 0.265 0.000 1.206 197 Y CB 1.905 40.522 38.460 0.262 0.000 1.229 197 Y HN 0.768 nan 8.280 nan 0.000 0.480 198 T N 0.047 114.818 114.554 0.362 0.000 2.945 198 T HA 0.779 5.127 4.350 -0.004 0.000 0.286 198 T C -1.117 173.786 174.700 0.340 0.000 1.025 198 T CA -0.893 61.368 62.100 0.268 0.000 1.039 198 T CB 1.283 70.165 68.868 0.024 0.000 1.068 198 T HN 0.349 nan 8.240 nan 0.000 0.497 199 L N 1.402 122.831 121.223 0.342 0.000 2.404 199 L HA 0.522 4.860 4.340 -0.004 0.000 0.272 199 L C -0.087 177.070 176.870 0.478 0.000 0.980 199 L CA -0.490 54.525 54.840 0.292 0.000 0.836 199 L CB 1.931 43.972 42.059 -0.030 0.000 1.238 199 L HN 0.697 nan 8.230 nan 0.000 0.408 200 K N 2.545 123.163 120.400 0.363 0.000 2.240 200 K HA 0.374 4.692 4.320 -0.004 0.000 0.271 200 K C -0.621 175.913 176.600 -0.111 0.000 1.018 200 K CA -0.547 55.750 56.287 0.017 0.000 0.874 200 K CB 1.288 33.682 32.500 -0.177 0.000 1.098 200 K HN 0.703 nan 8.250 nan 0.000 0.458 201 C N 4.530 123.610 119.300 -0.367 0.000 2.648 201 C HA 0.018 4.476 4.460 -0.004 0.000 0.415 201 C C 1.849 176.508 174.990 -0.552 0.000 1.366 201 C CA 0.051 58.531 59.018 -0.897 0.000 1.756 201 C CB -0.160 27.059 27.740 -0.868 0.000 2.549 201 C HN 1.065 nan 8.230 nan 0.000 0.597 202 Q N 2.417 121.895 119.800 -0.536 0.000 2.124 202 Q HA -0.175 4.163 4.340 -0.004 0.000 0.202 202 Q C 2.103 177.924 176.000 -0.298 0.000 0.977 202 Q CA 1.817 57.417 55.803 -0.339 0.000 0.850 202 Q CB -0.122 28.441 28.738 -0.292 0.000 0.901 202 Q HN 0.931 nan 8.270 nan 0.000 0.429 203 E N 0.870 120.865 120.200 -0.342 0.000 2.051 203 E HA -0.181 4.167 4.350 -0.004 0.000 0.192 203 E C 0.983 177.458 176.600 -0.210 0.000 0.991 203 E CA 1.610 57.854 56.400 -0.261 0.000 0.799 203 E CB 0.034 29.574 29.700 -0.266 0.000 0.748 203 E HN 0.610 nan 8.360 nan 0.000 0.449 204 N N -0.506 118.059 118.700 -0.226 0.000 2.170 204 N HA -0.011 4.727 4.740 -0.004 0.000 0.222 204 N C -0.271 175.127 175.510 -0.186 0.000 1.218 204 N CA 0.019 52.965 53.050 -0.172 0.000 0.889 204 N CB -0.089 38.317 38.487 -0.136 0.000 1.083 204 N HN -0.043 nan 8.380 nan 0.000 0.520 205 N N 0.204 118.756 118.700 -0.245 0.000 2.714 205 N HA -0.196 4.541 4.740 -0.004 0.000 0.250 205 N C -0.749 174.512 175.510 -0.414 0.000 1.117 205 N CA 0.729 53.605 53.050 -0.290 0.000 0.719 205 N CB -0.962 37.419 38.487 -0.177 0.000 1.081 205 N HN 0.592 nan 8.380 nan 0.000 0.557 206 R N -0.862 119.408 120.500 -0.383 0.000 2.828 206 R HA 0.565 4.903 4.340 -0.004 0.000 0.264 206 R C -0.557 175.547 176.300 -0.327 0.000 1.022 206 R CA -0.513 55.394 56.100 -0.322 0.000 1.021 206 R CB 0.928 31.190 30.300 -0.064 0.000 1.163 206 R HN 0.022 nan 8.270 nan 0.000 0.494 207 Y N 0.493 120.897 120.300 0.174 0.000 2.409 207 Y HA 0.286 4.833 4.550 -0.004 0.000 0.339 207 Y C -0.129 175.958 175.900 0.310 0.000 1.033 207 Y CA -1.118 57.123 58.100 0.236 0.000 1.094 207 Y CB 1.168 39.718 38.460 0.151 0.000 1.210 207 Y HN 0.337 nan 8.280 nan 0.000 0.456 208 L N 3.416 124.916 121.223 0.462 0.000 2.700 208 L HA 0.139 4.477 4.340 -0.004 0.000 0.272 208 L C -0.451 176.726 176.870 0.511 0.000 1.176 208 L CA 1.147 56.159 54.840 0.286 0.000 0.961 208 L CB -0.671 41.263 42.059 -0.209 0.000 1.249 208 L HN 0.700 nan 8.230 nan 0.000 0.487 209 T N 4.684 119.516 114.554 0.463 0.000 2.971 209 T HA 0.164 4.512 4.350 -0.004 0.000 0.304 209 T C -1.271 173.680 174.700 0.418 0.000 1.038 209 T CA -0.399 61.952 62.100 0.418 0.000 1.007 209 T CB 0.704 69.739 68.868 0.279 0.000 1.055 209 T HN 0.561 nan 8.240 nan 0.000 0.451 210 W N 5.950 127.330 121.300 0.134 0.000 2.446 210 W HA 0.381 5.039 4.660 -0.003 0.000 0.316 210 W C -1.131 175.370 176.519 -0.029 0.000 1.376 210 W CA -1.578 55.808 57.345 0.067 0.000 1.300 210 W CB -0.149 29.288 29.460 -0.039 0.000 1.351 210 W HN 0.380 nan 8.180 nan 0.000 0.530 211 I N 7.073 127.771 120.570 0.214 0.000 2.291 211 I HA 0.078 4.246 4.170 -0.004 0.000 0.290 211 I C 0.367 176.372 176.117 -0.187 0.000 1.050 211 I CA -0.562 60.698 61.300 -0.068 0.000 1.245 211 I CB 0.416 38.433 38.000 0.028 0.000 1.405 211 I HN 0.297 nan 8.210 nan 0.000 0.478 212 Q N 6.381 125.887 119.800 -0.491 0.000 2.348 212 Q HA 0.169 4.507 4.340 -0.004 0.000 0.251 212 Q C -0.280 175.573 176.000 -0.246 0.000 1.113 212 Q CA -0.064 55.416 55.803 -0.539 0.000 0.902 212 Q CB 0.475 28.746 28.738 -0.778 0.000 1.333 212 Q HN 0.715 nan 8.270 nan 0.000 0.457 213 N N -1.402 117.219 118.700 -0.132 0.000 3.418 213 N HA 0.093 4.831 4.740 -0.004 0.000 0.316 213 N C 0.336 175.802 175.510 -0.073 0.000 1.601 213 N CA -0.398 52.590 53.050 -0.104 0.000 0.805 213 N CB -0.034 38.387 38.487 -0.110 0.000 1.873 213 N HN 0.128 nan 8.380 nan 0.000 0.615 214 S N -1.031 114.619 115.700 -0.083 0.000 2.442 214 S HA -0.119 4.349 4.470 -0.004 0.000 0.236 214 S C 0.830 175.357 174.600 -0.122 0.000 1.007 214 S CA 1.225 59.387 58.200 -0.065 0.000 0.965 214 S CB -0.982 62.188 63.200 -0.051 0.000 0.773 214 S HN 0.603 nan 8.310 nan 0.000 0.504 215 N N 1.603 120.132 118.700 -0.284 0.000 2.333 215 N HA 0.081 4.819 4.740 -0.004 0.000 0.178 215 N C -0.308 174.941 175.510 -0.435 0.000 1.018 215 N CA 0.433 53.126 53.050 -0.595 0.000 0.882 215 N CB -0.130 37.533 38.487 -1.373 0.000 0.984 215 N HN 0.255 nan 8.380 nan 0.000 0.434 216 N N 0.246 118.855 118.700 -0.152 0.000 2.735 216 N HA -0.188 4.550 4.740 -0.004 0.000 0.248 216 N C -1.234 174.428 175.510 0.253 0.000 1.083 216 N CA 0.809 53.993 53.050 0.224 0.000 0.703 216 N CB -1.355 37.312 38.487 0.300 0.000 1.005 216 N HN 0.304 nan 8.380 nan 0.000 0.550 217 Y N -0.042 120.351 120.300 0.154 0.000 2.457 217 Y HA 0.206 4.754 4.550 -0.004 0.000 0.341 217 Y C 1.440 177.488 175.900 0.247 0.000 1.240 217 Y CA -0.972 57.212 58.100 0.141 0.000 1.437 217 Y CB 0.348 38.850 38.460 0.069 0.000 1.328 217 Y HN -0.015 nan 8.280 nan 0.000 0.588 218 V N -0.253 119.901 119.914 0.402 0.000 2.567 218 V HA 0.637 4.755 4.120 -0.004 0.000 0.289 218 V C -0.354 175.915 176.094 0.292 0.000 1.049 218 V CA -0.995 61.508 62.300 0.339 0.000 0.969 218 V CB 1.400 33.371 31.823 0.245 0.000 0.995 218 V HN 0.791 nan 8.190 nan 0.000 0.471 219 E N 1.420 121.792 120.200 0.287 0.000 2.393 219 E HA 0.480 4.828 4.350 -0.004 0.000 0.273 219 E C -0.766 176.016 176.600 0.303 0.000 0.918 219 E CA -0.848 55.714 56.400 0.270 0.000 0.773 219 E CB 2.314 32.167 29.700 0.255 0.000 1.275 219 E HN 0.946 nan 8.360 nan 0.000 0.451 220 T N -0.555 114.171 114.554 0.287 0.000 2.870 220 T HA 0.293 4.641 4.350 -0.004 0.000 0.300 220 T C -0.686 174.207 174.700 0.323 0.000 0.989 220 T CA -0.213 62.060 62.100 0.288 0.000 1.139 220 T CB 0.235 69.207 68.868 0.174 0.000 0.920 220 T HN 0.417 nan 8.240 nan 0.000 0.537 221 Y N 2.534 122.947 120.300 0.188 0.000 2.553 221 Y HA 0.328 4.876 4.550 -0.003 0.000 0.347 221 Y C 0.014 176.038 175.900 0.207 0.000 1.019 221 Y CA -1.262 56.939 58.100 0.168 0.000 1.032 221 Y CB 1.775 40.334 38.460 0.165 0.000 1.284 221 Y HN 0.884 nan 8.280 nan 0.000 0.466 222 Q N 2.347 121.900 119.800 -0.411 0.000 2.479 222 Q HA 0.065 4.402 4.340 -0.004 0.000 0.267 222 Q C 0.039 176.048 176.000 0.014 0.000 1.071 222 Q CA 0.095 55.779 55.803 -0.197 0.000 0.935 222 Q CB 0.523 29.061 28.738 -0.332 0.000 1.295 222 Q HN 0.687 nan 8.270 nan 0.000 0.476 223 S N 0.471 116.261 115.700 0.151 0.000 2.593 223 S HA 0.075 4.543 4.470 -0.004 0.000 0.300 223 S C -0.365 174.249 174.600 0.024 0.000 1.267 223 S CA 0.703 58.921 58.200 0.030 0.000 1.065 223 S CB -0.137 63.083 63.200 0.033 0.000 0.807 223 S HN 0.670 nan 8.310 nan 0.000 0.499 224 T N 2.594 117.177 114.554 0.048 0.000 2.883 224 T HA 0.359 4.707 4.350 -0.004 0.000 0.301 224 T C -0.169 174.639 174.700 0.179 0.000 1.158 224 T CA -0.777 61.400 62.100 0.128 0.000 1.007 224 T CB 1.288 70.302 68.868 0.245 0.000 1.186 224 T HN 0.569 nan 8.240 nan 0.000 0.499 225 D N 1.398 121.888 120.400 0.151 0.000 2.355 225 D HA 0.111 4.749 4.640 -0.004 0.000 0.218 225 D C 0.834 177.219 176.300 0.141 0.000 1.004 225 D CA 0.372 54.453 54.000 0.135 0.000 0.880 225 D CB 0.292 41.111 40.800 0.032 0.000 0.911 225 D HN 0.409 nan 8.370 nan 0.000 0.528 226 S N 0.308 116.105 115.700 0.161 0.000 2.549 226 S HA 0.081 4.549 4.470 -0.004 0.000 0.283 226 S C 1.599 176.309 174.600 0.183 0.000 1.320 226 S CA -0.531 57.731 58.200 0.104 0.000 1.058 226 S CB 0.602 63.835 63.200 0.055 0.000 0.882 226 S HN 0.075 nan 8.310 nan 0.000 0.498 227 L N 5.419 126.694 121.223 0.087 0.000 2.265 227 L HA -0.110 4.228 4.340 -0.004 0.000 0.215 227 L C 2.116 179.044 176.870 0.096 0.000 1.117 227 L CA 0.988 55.898 54.840 0.117 0.000 0.782 227 L CB -0.796 41.266 42.059 0.006 0.000 0.914 227 L HN 0.817 nan 8.230 nan 0.000 0.441 228 I N -2.447 118.133 120.570 0.017 0.000 2.657 228 I HA -0.290 3.878 4.170 -0.004 0.000 0.261 228 I C 2.217 178.277 176.117 -0.095 0.000 1.212 228 I CA 1.384 62.664 61.300 -0.034 0.000 1.453 228 I CB -0.445 37.491 38.000 -0.108 0.000 1.092 228 I HN 0.312 nan 8.210 nan 0.000 0.452 229 Q N -0.242 119.506 119.800 -0.086 0.000 2.319 229 Q HA 0.194 4.532 4.340 -0.004 0.000 0.202 229 Q C -0.681 175.008 176.000 -0.517 0.000 0.896 229 Q CA -0.135 55.536 55.803 -0.220 0.000 0.942 229 Q CB 0.350 28.905 28.738 -0.305 0.000 1.083 229 Q HN 0.602 nan 8.270 nan 0.000 0.510 230 Y N -1.071 119.068 120.300 -0.270 0.000 2.429 230 Y HA 0.454 5.002 4.550 -0.004 0.000 0.342 230 Y C -1.163 174.503 175.900 -0.390 0.000 1.004 230 Y CA -0.921 57.079 58.100 -0.166 0.000 1.075 230 Y CB 1.135 39.533 38.460 -0.103 0.000 1.214 230 Y HN 0.012 nan 8.280 nan 0.000 0.455 231 W N 2.067 123.512 121.300 0.241 0.000 2.957 231 W HA 0.412 5.070 4.660 -0.004 0.000 0.336 231 W C -0.949 175.737 176.519 0.278 0.000 1.087 231 W CA -0.841 56.624 57.345 0.201 0.000 1.235 231 W CB 1.105 30.624 29.460 0.099 0.000 1.399 231 W HN 0.333 nan 8.180 nan 0.000 0.480 232 N N 3.739 122.720 118.700 0.468 0.000 2.415 232 N HA 0.266 5.004 4.740 -0.004 0.000 0.250 232 N C -0.530 175.249 175.510 0.450 0.000 1.127 232 N CA -0.031 53.281 53.050 0.437 0.000 0.945 232 N CB 0.689 39.364 38.487 0.313 0.000 1.196 232 N HN 0.369 nan 8.380 nan 0.000 0.499 233 I N 2.120 122.908 120.570 0.363 0.000 2.337 233 I HA 0.133 4.300 4.170 -0.004 0.000 0.291 233 I C 0.478 176.693 176.117 0.164 0.000 1.046 233 I CA -0.161 61.229 61.300 0.151 0.000 1.324 233 I CB 0.365 38.254 38.000 -0.185 0.000 1.409 233 I HN 0.284 nan 8.210 nan 0.000 0.494 234 N N 4.958 123.788 118.700 0.217 0.000 2.321 234 N HA 0.383 5.121 4.740 -0.004 0.000 0.290 234 N C -1.028 174.522 175.510 0.068 0.000 1.212 234 N CA -0.590 52.532 53.050 0.121 0.000 0.767 234 N CB 1.676 40.331 38.487 0.281 0.000 1.494 234 N HN 0.132 nan 8.380 nan 0.000 0.479 235 Y N 0.563 120.882 120.300 0.033 0.000 2.379 235 Y HA 0.187 4.735 4.550 -0.003 0.000 0.337 235 Y C 0.936 176.834 175.900 -0.004 0.000 1.238 235 Y CA -0.380 57.635 58.100 -0.142 0.000 1.405 235 Y CB 0.332 38.670 38.460 -0.203 0.000 1.310 235 Y HN 0.328 nan 8.280 nan 0.000 0.569 236 L N 2.025 123.341 121.223 0.154 0.000 2.529 236 L HA -0.117 4.221 4.340 -0.004 0.000 0.287 236 L C 1.372 178.321 176.870 0.132 0.000 1.241 236 L CA 0.408 55.332 54.840 0.141 0.000 0.857 236 L CB -0.107 41.998 42.059 0.077 0.000 1.113 236 L HN 0.817 nan 8.230 nan 0.000 0.504 237 D N 1.920 122.407 120.400 0.146 0.000 2.133 237 D HA -0.239 4.399 4.640 -0.004 0.000 0.192 237 D C 0.959 177.300 176.300 0.068 0.000 1.001 237 D CA 1.979 56.050 54.000 0.119 0.000 0.844 237 D CB 0.154 41.030 40.800 0.127 0.000 0.944 237 D HN 0.637 nan 8.370 nan 0.000 0.447 238 N N -0.410 118.312 118.700 0.038 0.000 2.416 238 N HA 0.136 4.874 4.740 -0.004 0.000 0.267 238 N C -1.880 173.598 175.510 -0.054 0.000 1.294 238 N CA -0.265 52.779 53.050 -0.011 0.000 0.891 238 N CB 0.524 39.009 38.487 -0.004 0.000 1.238 238 N HN -0.023 nan 8.380 nan 0.000 0.508 239 D N -0.589 119.771 120.400 -0.067 0.000 2.478 239 D HA 0.327 4.965 4.640 -0.004 0.000 0.240 239 D C 0.037 176.207 176.300 -0.217 0.000 1.364 239 D CA -0.425 53.501 54.000 -0.124 0.000 0.987 239 D CB 1.300 42.053 40.800 -0.079 0.000 1.328 239 D HN 0.076 nan 8.370 nan 0.000 0.584 240 A N 2.301 124.887 122.820 -0.391 0.000 2.235 240 A HA 0.018 4.336 4.320 -0.004 0.000 0.208 240 A C 1.663 178.868 177.584 -0.631 0.000 1.172 240 A CA 1.050 52.582 52.037 -0.842 0.000 0.786 240 A CB -0.149 18.274 19.000 -0.961 0.000 0.804 240 A HN 0.457 nan 8.150 nan 0.000 0.479 241 S N -1.103 114.403 115.700 -0.323 0.000 2.548 241 S HA 0.229 4.697 4.470 -0.004 0.000 0.215 241 S C 0.523 175.049 174.600 -0.124 0.000 0.976 241 S CA -0.124 57.964 58.200 -0.187 0.000 0.908 241 S CB 0.034 63.164 63.200 -0.116 0.000 0.781 241 S HN 0.466 nan 8.310 nan 0.000 0.519 242 K N -0.178 120.125 120.400 -0.162 0.000 2.443 242 K HA 0.577 4.894 4.320 -0.004 0.000 0.251 242 K C -1.877 174.659 176.600 -0.107 0.000 0.972 242 K CA -0.729 55.529 56.287 -0.048 0.000 0.833 242 K CB 1.649 34.145 32.500 -0.007 0.000 1.317 242 K HN 0.137 nan 8.250 nan 0.000 0.441 243 Y N 0.772 121.167 120.300 0.159 0.000 2.485 243 Y HA 0.485 5.034 4.550 -0.002 0.000 0.345 243 Y C -0.153 175.841 175.900 0.157 0.000 0.998 243 Y CA -1.150 57.041 58.100 0.152 0.000 1.059 243 Y CB 1.428 39.946 38.460 0.098 0.000 1.234 243 Y HN 0.185 nan 8.280 nan 0.000 0.461 244 I N 3.699 124.426 120.570 0.262 0.000 2.569 244 I HA 0.346 4.513 4.170 -0.004 0.000 0.296 244 I C -1.119 174.985 176.117 -0.021 0.000 1.028 244 I CA -0.973 60.379 61.300 0.088 0.000 1.082 244 I CB 1.704 39.637 38.000 -0.111 0.000 1.264 244 I HN 0.430 nan 8.210 nan 0.000 0.429 245 L N 6.655 127.826 121.223 -0.086 0.000 2.318 245 L HA 0.381 4.719 4.340 -0.004 0.000 0.277 245 L C -0.806 176.157 176.870 0.154 0.000 1.008 245 L CA -0.258 54.592 54.840 0.015 0.000 0.846 245 L CB 0.782 42.718 42.059 -0.203 0.000 1.220 245 L HN 0.282 nan 8.230 nan 0.000 0.423 246 Y N 1.894 122.380 120.300 0.310 0.000 2.313 246 Y HA 0.286 4.833 4.550 -0.004 0.000 0.332 246 Y C 0.867 176.870 175.900 0.173 0.000 1.071 246 Y CA -0.304 57.923 58.100 0.212 0.000 1.169 246 Y CB 0.838 39.361 38.460 0.104 0.000 1.192 246 Y HN 0.513 nan 8.280 nan 0.000 0.487 247 N N 2.730 121.475 118.700 0.075 0.000 2.514 247 N HA 0.037 4.775 4.740 -0.004 0.000 0.277 247 N C 0.373 175.813 175.510 -0.116 0.000 1.126 247 N CA -0.123 52.697 53.050 -0.383 0.000 0.978 247 N CB 1.132 39.242 38.487 -0.629 0.000 1.106 247 N HN 0.701 nan 8.380 nan 0.000 0.461 248 L N 3.178 124.321 121.223 -0.135 0.000 2.291 248 L HA -0.084 4.254 4.340 -0.004 0.000 0.214 248 L C 2.420 179.301 176.870 0.019 0.000 1.120 248 L CA 1.087 55.916 54.840 -0.019 0.000 0.799 248 L CB -0.539 41.516 42.059 -0.007 0.000 0.925 248 L HN 0.658 nan 8.230 nan 0.000 0.446 249 Q N -0.033 119.803 119.800 0.060 0.000 2.124 249 Q HA -0.152 4.186 4.340 -0.004 0.000 0.202 249 Q C 0.078 176.185 176.000 0.178 0.000 0.977 249 Q CA 1.519 57.390 55.803 0.114 0.000 0.850 249 Q CB 0.084 28.898 28.738 0.128 0.000 0.901 249 Q HN 0.325 nan 8.270 nan 0.000 0.429 250 D N -1.639 118.906 120.400 0.242 0.000 2.319 250 D HA 0.073 4.711 4.640 -0.004 0.000 0.237 250 D C -0.286 176.076 176.300 0.105 0.000 1.353 250 D CA 0.361 54.473 54.000 0.187 0.000 0.992 250 D CB 0.651 41.634 40.800 0.305 0.000 1.368 250 D HN 0.162 nan 8.370 nan 0.000 0.564 251 T N 0.158 114.755 114.554 0.072 0.000 3.163 251 T HA -0.005 4.343 4.350 -0.004 0.000 0.260 251 T C 0.992 175.753 174.700 0.102 0.000 1.156 251 T CA 0.473 62.616 62.100 0.072 0.000 1.072 251 T CB -0.432 68.427 68.868 -0.015 0.000 0.937 251 T HN 0.308 nan 8.240 nan 0.000 0.528 252 N N 0.598 119.351 118.700 0.089 0.000 2.398 252 N HA 0.085 4.822 4.740 -0.004 0.000 0.188 252 N C 0.164 175.751 175.510 0.128 0.000 1.122 252 N CA -0.061 53.054 53.050 0.108 0.000 0.866 252 N CB 0.284 38.814 38.487 0.072 0.000 0.970 252 N HN 0.234 nan 8.380 nan 0.000 0.462 253 R N 1.145 121.692 120.500 0.078 0.000 2.637 253 R HA 0.510 4.848 4.340 -0.004 0.000 0.291 253 R C -0.577 175.716 176.300 -0.012 0.000 0.963 253 R CA -0.665 55.405 56.100 -0.051 0.000 0.901 253 R CB 2.012 32.123 30.300 -0.316 0.000 1.160 253 R HN -0.139 nan 8.270 nan 0.000 0.457 254 V N -0.711 119.195 119.914 -0.013 0.000 3.130 254 V HA 0.464 4.582 4.120 -0.004 0.000 0.310 254 V C -0.514 175.641 176.094 0.101 0.000 1.158 254 V CA -1.366 60.970 62.300 0.061 0.000 1.029 254 V CB 1.975 33.799 31.823 0.001 0.000 1.057 254 V HN 0.568 nan 8.190 nan 0.000 0.436 255 L N 2.964 124.282 121.223 0.158 0.000 2.513 255 L HA 0.551 4.889 4.340 -0.004 0.000 0.272 255 L C -0.240 176.832 176.870 0.337 0.000 1.187 255 L CA 1.421 56.315 54.840 0.090 0.000 0.895 255 L CB -0.324 41.514 42.059 -0.369 0.000 1.147 255 L HN 1.016 nan 8.230 nan 0.000 0.483 256 D N 3.007 123.593 120.400 0.310 0.000 2.596 256 D HA 0.402 5.040 4.640 -0.004 0.000 0.234 256 D C -1.512 174.958 176.300 0.283 0.000 1.181 256 D CA -0.289 53.867 54.000 0.261 0.000 0.856 256 D CB 2.416 43.300 40.800 0.141 0.000 1.498 256 D HN 0.188 nan 8.370 nan 0.000 0.446 257 V N 3.263 123.274 119.914 0.162 0.000 2.370 257 V HA 0.177 4.295 4.120 -0.004 0.000 0.283 257 V C -0.248 175.944 176.094 0.163 0.000 1.023 257 V CA -0.812 61.583 62.300 0.158 0.000 0.857 257 V CB 0.926 32.752 31.823 0.004 0.000 0.985 257 V HN 0.519 nan 8.190 nan 0.000 0.443 258 Y N 5.654 126.032 120.300 0.130 0.000 2.802 258 Y HA -0.057 4.491 4.550 -0.003 0.000 0.333 258 Y C 1.361 177.311 175.900 0.082 0.000 1.244 258 Y CA 0.809 58.989 58.100 0.134 0.000 1.558 258 Y CB -0.582 38.005 38.460 0.210 0.000 1.233 258 Y HN 0.907 nan 8.280 nan 0.000 0.547 259 N N 3.053 121.434 118.700 -0.531 0.000 2.681 259 N HA -0.331 4.407 4.740 -0.004 0.000 0.250 259 N C 0.064 175.455 175.510 -0.198 0.000 1.133 259 N CA 0.667 53.450 53.050 -0.446 0.000 0.732 259 N CB -0.821 37.294 38.487 -0.621 0.000 1.107 259 N HN 0.714 nan 8.380 nan 0.000 0.559 260 S N -1.408 114.219 115.700 -0.121 0.000 3.473 260 S HA -0.230 4.238 4.470 -0.004 0.000 0.339 260 S C 0.244 174.796 174.600 -0.080 0.000 1.148 260 S CA 1.030 59.173 58.200 -0.096 0.000 0.969 260 S CB -0.511 62.624 63.200 -0.107 0.000 0.936 260 S HN 0.413 nan 8.310 nan 0.000 0.530 261 Q N 0.030 119.801 119.800 -0.048 0.000 2.354 261 Q HA 0.446 4.784 4.340 -0.004 0.000 0.244 261 Q C 1.588 177.569 176.000 -0.031 0.000 0.969 261 Q CA 0.036 55.822 55.803 -0.028 0.000 0.885 261 Q CB 0.447 29.196 28.738 0.018 0.000 1.241 261 Q HN 0.720 nan 8.270 nan 0.000 0.461 262 I N -2.230 118.311 120.570 -0.049 0.000 4.082 262 I HA 0.382 4.550 4.170 -0.004 0.000 0.337 262 I C 0.621 176.691 176.117 -0.078 0.000 1.352 262 I CA -0.481 60.780 61.300 -0.065 0.000 1.097 262 I CB 0.511 38.463 38.000 -0.080 0.000 1.048 262 I HN 0.303 nan 8.210 nan 0.000 0.393 263 A N 2.155 124.929 122.820 -0.077 0.000 2.498 263 A HA 0.181 4.499 4.320 -0.004 0.000 0.239 263 A C 0.130 177.595 177.584 -0.198 0.000 1.068 263 A CA -0.091 51.869 52.037 -0.129 0.000 0.766 263 A CB -0.153 18.790 19.000 -0.096 0.000 1.003 263 A HN 0.469 nan 8.150 nan 0.000 0.497 264 N N 0.636 119.099 118.700 -0.395 0.000 2.292 264 N HA 0.205 4.942 4.740 -0.004 0.000 0.258 264 N C 1.259 176.511 175.510 -0.430 0.000 1.261 264 N CA 1.822 54.411 53.050 -0.769 0.000 0.845 264 N CB 0.580 38.081 38.487 -1.642 0.000 1.064 264 N HN 1.299 nan 8.380 nan 0.000 0.471 265 G N 1.097 109.863 108.800 -0.056 0.000 2.194 265 G HA2 -0.283 3.675 3.960 -0.004 0.000 0.236 265 G HA3 -0.283 3.675 3.960 -0.004 0.000 0.236 265 G C 0.209 175.098 174.900 -0.018 0.000 0.987 265 G CA 0.249 45.438 45.100 0.147 0.000 0.635 265 G HN 0.624 nan 8.290 nan 0.000 0.520 266 T N 3.129 117.685 114.554 0.002 0.000 2.871 266 T HA 0.261 4.609 4.350 -0.004 0.000 0.296 266 T C 0.569 175.298 174.700 0.048 0.000 0.998 266 T CA 0.006 62.131 62.100 0.042 0.000 1.162 266 T CB 0.220 69.141 68.868 0.089 0.000 0.947 266 T HN 0.298 nan 8.240 nan 0.000 0.536 267 H N 2.086 121.189 119.070 0.055 0.000 3.001 267 H HA 0.102 4.656 4.556 -0.004 0.000 0.334 267 H C 0.213 175.621 175.328 0.133 0.000 1.034 267 H CA 0.087 56.113 56.048 -0.035 0.000 1.420 267 H CB 0.413 30.017 29.762 -0.263 0.000 1.405 267 H HN 0.245 nan 8.280 nan 0.000 0.593 268 V N 5.981 126.055 119.914 0.266 0.000 2.539 268 V HA 0.343 4.461 4.120 -0.004 0.000 0.292 268 V C 0.877 177.144 176.094 0.288 0.000 1.045 268 V CA -0.404 62.062 62.300 0.276 0.000 0.945 268 V CB 1.407 33.356 31.823 0.211 0.000 0.993 268 V HN 0.636 nan 8.190 nan 0.000 0.464 269 I N 1.270 122.004 120.570 0.273 0.000 3.343 269 I HA 0.805 4.973 4.170 -0.004 0.000 0.315 269 I C -1.276 174.911 176.117 0.116 0.000 1.153 269 I CA -1.112 60.338 61.300 0.250 0.000 0.952 269 I CB 2.461 40.635 38.000 0.291 0.000 1.287 269 I HN 0.242 nan 8.210 nan 0.000 0.472 270 V N 2.038 121.924 119.914 -0.047 0.000 2.409 270 V HA 0.565 4.683 4.120 -0.004 0.000 0.291 270 V C -0.985 174.966 176.094 -0.237 0.000 1.020 270 V CA 0.010 62.133 62.300 -0.295 0.000 0.848 270 V CB 1.221 32.435 31.823 -1.015 0.000 0.990 270 V HN 0.765 nan 8.190 nan 0.000 0.430 271 D N 1.884 122.208 120.400 -0.125 0.000 2.579 271 D HA 0.414 5.052 4.640 -0.004 0.000 0.257 271 D C -0.327 175.941 176.300 -0.053 0.000 1.176 271 D CA -0.384 53.586 54.000 -0.050 0.000 0.914 271 D CB 2.553 43.375 40.800 0.037 0.000 1.431 271 D HN 0.395 nan 8.370 nan 0.000 0.454 272 S N 0.855 116.531 115.700 -0.039 0.000 2.552 272 S HA -0.026 4.442 4.470 -0.004 0.000 0.289 272 S C -0.213 174.267 174.600 -0.200 0.000 1.304 272 S CA -0.096 58.050 58.200 -0.090 0.000 1.063 272 S CB -0.204 62.931 63.200 -0.108 0.000 0.848 272 S HN 0.345 nan 8.310 nan 0.000 0.499 273 Y N 3.798 123.965 120.300 -0.221 0.000 2.717 273 Y HA -0.045 4.502 4.550 -0.005 0.000 0.330 273 Y C 1.233 176.865 175.900 -0.446 0.000 1.217 273 Y CA 0.973 58.962 58.100 -0.186 0.000 1.506 273 Y CB 0.242 38.712 38.460 0.017 0.000 1.268 273 Y HN 0.779 nan 8.280 nan 0.000 0.561 274 H N 3.326 121.950 119.070 -0.744 0.000 3.734 274 H HA 0.179 4.732 4.556 -0.004 0.000 0.253 274 H C 1.547 176.341 175.328 -0.890 0.000 1.072 274 H CA 0.509 56.169 56.048 -0.646 0.000 1.147 274 H CB 0.879 30.478 29.762 -0.272 0.000 1.495 274 H HN 0.915 nan 8.280 nan 0.000 0.588 275 G N 1.867 110.122 108.800 -0.907 0.000 2.141 275 G HA2 -0.268 3.690 3.960 -0.004 0.000 0.242 275 G HA3 -0.268 3.690 3.960 -0.004 0.000 0.242 275 G C 0.107 174.897 174.900 -0.184 0.000 0.982 275 G CA 0.207 45.008 45.100 -0.498 0.000 0.662 275 G HN 0.242 nan 8.290 nan 0.000 0.527 276 N N 0.214 118.816 118.700 -0.165 0.000 2.317 276 N HA 0.347 5.085 4.740 -0.004 0.000 0.245 276 N C 2.055 177.488 175.510 -0.128 0.000 1.294 276 N CA 0.671 53.651 53.050 -0.117 0.000 0.924 276 N CB 0.244 38.667 38.487 -0.106 0.000 1.186 276 N HN 0.386 nan 8.380 nan 0.000 0.495 277 T N -2.067 112.408 114.554 -0.132 0.000 2.881 277 T HA -0.163 4.185 4.350 -0.004 0.000 0.270 277 T C 1.189 175.742 174.700 -0.244 0.000 1.068 277 T CA 1.046 63.045 62.100 -0.169 0.000 1.131 277 T CB -0.366 68.411 68.868 -0.152 0.000 0.871 277 T HN 0.604 nan 8.240 nan 0.000 0.479 278 N N 1.723 120.297 118.700 -0.210 0.000 2.443 278 N HA -0.163 4.574 4.740 -0.004 0.000 0.184 278 N C 1.458 176.813 175.510 -0.258 0.000 1.037 278 N CA 0.844 53.753 53.050 -0.235 0.000 0.896 278 N CB -0.365 38.040 38.487 -0.137 0.000 0.959 278 N HN 0.588 nan 8.380 nan 0.000 0.442 279 Q N -0.273 119.408 119.800 -0.199 0.000 2.282 279 Q HA 0.184 4.522 4.340 -0.004 0.000 0.206 279 Q C -0.183 175.743 176.000 -0.122 0.000 0.878 279 Q CA -0.081 55.671 55.803 -0.085 0.000 0.944 279 Q CB 0.593 29.313 28.738 -0.030 0.000 1.100 279 Q HN 0.493 nan 8.270 nan 0.000 0.509 280 Q N -0.098 119.503 119.800 -0.332 0.000 2.256 280 Q HA 0.331 4.669 4.340 -0.004 0.000 0.257 280 Q C -1.377 174.321 176.000 -0.504 0.000 0.936 280 Q CA -0.213 55.453 55.803 -0.228 0.000 0.903 280 Q CB 1.152 29.802 28.738 -0.147 0.000 1.263 280 Q HN 0.095 nan 8.270 nan 0.000 0.440 281 W N 2.216 123.525 121.300 0.015 0.000 2.819 281 W HA 0.462 5.119 4.660 -0.004 0.000 0.337 281 W C -0.896 175.683 176.519 0.100 0.000 1.077 281 W CA -0.662 56.682 57.345 -0.001 0.000 1.226 281 W CB 1.191 30.614 29.460 -0.063 0.000 1.419 281 W HN 0.351 nan 8.180 nan 0.000 0.502 282 I N 4.666 125.386 120.570 0.251 0.000 2.307 282 I HA 0.318 4.486 4.170 -0.004 0.000 0.289 282 I C -0.180 176.059 176.117 0.202 0.000 1.021 282 I CA -1.319 60.117 61.300 0.227 0.000 1.224 282 I CB 0.108 38.157 38.000 0.082 0.000 1.376 282 I HN 0.338 nan 8.210 nan 0.000 0.470 283 I N 6.872 127.555 120.570 0.189 0.000 2.336 283 I HA 0.349 4.517 4.170 -0.004 0.000 0.292 283 I C 0.112 176.261 176.117 0.053 0.000 0.991 283 I CA -0.367 60.912 61.300 -0.035 0.000 1.227 283 I CB 0.959 38.654 38.000 -0.509 0.000 1.366 283 I HN 0.475 nan 8.210 nan 0.000 0.466 284 N N 5.496 124.224 118.700 0.046 0.000 2.229 284 N HA 0.461 5.199 4.740 -0.004 0.000 0.298 284 N C -1.009 174.509 175.510 0.013 0.000 1.114 284 N CA -0.729 52.344 53.050 0.039 0.000 0.776 284 N CB 2.632 41.136 38.487 0.030 0.000 1.501 284 N HN 0.254 nan 8.380 nan 0.000 0.474 285 L N 2.419 123.650 121.223 0.013 0.000 2.455 285 L HA 0.175 4.513 4.340 -0.004 0.000 0.272 285 L C 0.984 177.850 176.870 -0.006 0.000 1.174 285 L CA -0.011 54.834 54.840 0.009 0.000 0.869 285 L CB 0.077 42.145 42.059 0.015 0.000 1.130 285 L HN 0.399 nan 8.230 nan 0.000 0.474 286 I N 0.000 120.573 120.570 0.005 0.000 2.984 286 I HA 0.000 4.168 4.170 -0.004 0.000 0.288 286 I CA 0.000 61.304 61.300 0.006 0.000 1.566 286 I CB 0.000 38.029 38.000 0.048 0.000 1.214 286 I HN 0.000 nan 8.210 nan 0.000 0.494