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 1oq4_1_E DATA FIRST_RESID 18 DATA SEQUENCE FMPPREVHVQ VTHSMPPQKI EIFKSLDNWA EENILVHLKP VEKCWQPQDF DATA SEQUENCE LPDPASDGFD EQVRELRERA KEIPDDYFVV LVGDMITEEA LPTYQTMLNT DATA SEQUENCE LDGVRDETGA SPTSWAIWTR AWTAEENRHG DLLNKYLYLS GRVDMRQIEK DATA SEQUENCE TIQYLIGSGM DPRTENSPYL GFIYTSFQER ATFISHGNTA RQAKEHGDIK DATA SEQUENCE LAQICGTIAA DEKRHETAYT KIVEKLFEID PDGTVLAFAD MMRKKISMPA DATA SEQUENCE HLMYDGRDDN LFDHFSAVAQ RLGVYTAKDY ADILEFLVGR WKVDKLTGLS DATA SEQUENCE AEGQKAQDYV CRLPPRIRRL EERAQGRAKE APTMPFSWIF DRQVKL 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 18 F HA 0.000 nan 4.527 nan 0.000 0.279 18 F C 0.000 175.855 175.800 0.092 0.000 0.967 18 F CA 0.000 58.123 58.000 0.206 0.000 1.383 18 F CB 0.000 39.173 39.000 0.288 0.000 1.145 19 M N 3.768 123.337 119.600 -0.051 0.000 2.080 19 M HA 0.373 4.855 4.480 0.003 0.000 0.350 19 M C -2.347 173.490 176.300 -0.771 0.000 1.173 19 M CA -1.441 53.716 55.300 -0.238 0.000 1.052 19 M CB 1.341 33.845 32.600 -0.159 0.000 1.577 19 M HN -0.054 nan 8.290 nan 0.000 0.455 20 P HA 0.289 nan 4.420 nan 0.000 0.272 20 P C -2.699 174.312 177.300 -0.480 0.000 1.230 20 P CA -1.047 61.493 63.100 -0.933 0.000 0.788 20 P CB -0.758 30.737 31.700 -0.342 0.000 0.949 21 P HA 0.294 nan 4.420 nan 0.000 0.272 21 P C -0.026 177.172 177.300 -0.171 0.000 1.223 21 P CA 0.054 63.024 63.100 -0.216 0.000 0.784 21 P CB 0.668 32.273 31.700 -0.157 0.000 0.923 22 R N 0.671 121.092 120.500 -0.132 0.000 2.873 22 R HA 0.295 4.636 4.340 0.003 0.000 0.264 22 R C -0.142 176.113 176.300 -0.075 0.000 1.026 22 R CA -0.917 55.125 56.100 -0.096 0.000 1.002 22 R CB 1.164 31.421 30.300 -0.073 0.000 1.174 22 R HN 0.466 nan 8.270 nan 0.000 0.488 23 E N 1.717 121.899 120.200 -0.030 0.000 2.415 23 E HA -0.026 4.325 4.350 0.003 0.000 0.263 23 E C 0.922 177.501 176.600 -0.035 0.000 0.995 23 E CA 0.184 56.605 56.400 0.036 0.000 0.915 23 E CB 1.115 30.868 29.700 0.090 0.000 0.951 23 E HN 0.462 nan 8.360 nan 0.000 0.449 24 V N 0.569 120.403 119.914 -0.134 0.000 3.506 24 V HA 0.037 4.158 4.120 0.003 0.000 0.263 24 V C 0.460 176.377 176.094 -0.294 0.000 1.203 24 V CA 0.465 62.617 62.300 -0.248 0.000 1.133 24 V CB -0.599 31.041 31.823 -0.306 0.000 0.802 24 V HN 0.454 nan 8.190 nan 0.000 0.459 25 H N 0.951 120.029 119.070 0.013 0.000 2.482 25 H HA 0.617 5.175 4.556 0.003 0.000 0.344 25 H C 0.129 175.451 175.328 -0.009 0.000 1.151 25 H CA -0.297 55.751 56.048 -0.000 0.000 1.300 25 H CB 1.449 31.208 29.762 -0.005 0.000 1.494 25 H HN 0.235 nan 8.280 nan 0.000 0.542 26 V N 0.752 120.730 119.914 0.107 0.000 2.599 26 V HA -0.004 4.118 4.120 0.003 0.000 0.300 26 V C 0.178 176.292 176.094 0.033 0.000 1.034 26 V CA -0.593 61.735 62.300 0.047 0.000 1.115 26 V CB 0.188 32.028 31.823 0.027 0.000 0.934 26 V HN 0.685 nan 8.190 nan 0.000 0.485 27 Q N 3.277 123.083 119.800 0.010 0.000 2.307 27 Q HA 0.454 4.796 4.340 0.003 0.000 0.259 27 Q C -0.748 175.233 176.000 -0.031 0.000 0.998 27 Q CA -0.377 55.418 55.803 -0.014 0.000 0.923 27 Q CB 1.746 30.473 28.738 -0.018 0.000 1.196 27 Q HN 0.733 nan 8.270 nan 0.000 0.416 28 V N 3.132 123.014 119.914 -0.053 0.000 2.398 28 V HA 0.361 4.482 4.120 0.003 0.000 0.286 28 V C 0.261 176.290 176.094 -0.108 0.000 1.026 28 V CA -0.522 61.740 62.300 -0.064 0.000 0.868 28 V CB 1.669 33.455 31.823 -0.062 0.000 0.982 28 V HN 0.877 nan 8.190 nan 0.000 0.443 29 T N 0.840 115.329 114.554 -0.108 0.000 2.856 29 T HA 0.519 4.870 4.350 0.003 0.000 0.283 29 T C -0.169 174.443 174.700 -0.146 0.000 1.008 29 T CA -0.495 61.469 62.100 -0.227 0.000 0.997 29 T CB 1.030 69.761 68.868 -0.228 0.000 0.992 29 T HN 0.822 nan 8.240 nan 0.000 0.454 30 H N 0.950 119.979 119.070 -0.069 0.000 2.750 30 H HA -0.157 4.401 4.556 0.003 0.000 0.327 30 H C 1.213 176.501 175.328 -0.065 0.000 1.199 30 H CA 0.780 56.787 56.048 -0.069 0.000 1.149 30 H CB -1.831 27.897 29.762 -0.057 0.000 1.543 30 H HN 0.932 nan 8.280 nan 0.000 0.427 31 S N -0.468 115.219 115.700 -0.023 0.000 2.501 31 S HA 0.011 4.482 4.470 0.003 0.000 0.220 31 S C 1.133 175.704 174.600 -0.047 0.000 0.997 31 S CA 0.221 58.398 58.200 -0.039 0.000 0.919 31 S CB 0.450 63.609 63.200 -0.068 0.000 0.778 31 S HN 0.506 nan 8.310 nan 0.000 0.523 32 M N 2.965 122.541 119.600 -0.039 0.000 2.219 32 M HA 0.357 4.839 4.480 0.003 0.000 0.353 32 M C -2.763 173.528 176.300 -0.014 0.000 1.304 32 M CA -1.819 53.456 55.300 -0.040 0.000 1.115 32 M CB 0.443 33.041 32.600 -0.003 0.000 1.664 32 M HN -0.128 nan 8.290 nan 0.000 0.459 33 P HA 0.063 nan 4.420 nan 0.000 0.261 33 P C -2.202 175.101 177.300 0.004 0.000 1.183 33 P CA -0.807 62.283 63.100 -0.017 0.000 0.761 33 P CB -0.081 31.601 31.700 -0.030 0.000 0.785 34 P HA -0.182 nan 4.420 nan 0.000 0.222 34 P C 0.763 178.071 177.300 0.013 0.000 1.147 34 P CA 1.443 64.541 63.100 -0.003 0.000 0.790 34 P CB 0.136 31.820 31.700 -0.027 0.000 0.780 35 Q N 0.304 120.113 119.800 0.014 0.000 2.230 35 Q HA -0.018 4.324 4.340 0.003 0.000 0.202 35 Q C 2.002 178.029 176.000 0.045 0.000 0.963 35 Q CA 0.927 56.742 55.803 0.021 0.000 0.866 35 Q CB -0.568 28.175 28.738 0.009 0.000 0.931 35 Q HN 0.239 nan 8.270 nan 0.000 0.452 36 K N 0.618 121.056 120.400 0.064 0.000 2.515 36 K HA -0.020 4.301 4.320 0.003 0.000 0.196 36 K C 1.607 178.330 176.600 0.204 0.000 1.038 36 K CA 0.525 56.882 56.287 0.117 0.000 0.967 36 K CB -0.052 32.537 32.500 0.149 0.000 0.780 36 K HN 0.281 nan 8.250 nan 0.000 0.483 37 I N 1.182 121.848 120.570 0.160 0.000 2.286 37 I HA -0.268 3.904 4.170 0.003 0.000 0.248 37 I C 2.171 178.402 176.117 0.189 0.000 1.115 37 I CA 1.110 62.518 61.300 0.180 0.000 1.392 37 I CB -0.052 37.993 38.000 0.076 0.000 1.065 37 I HN 0.092 nan 8.210 nan 0.000 0.418 38 E N 0.692 120.959 120.200 0.112 0.000 2.130 38 E HA -0.223 4.129 4.350 0.003 0.000 0.196 38 E C 2.181 178.819 176.600 0.063 0.000 0.998 38 E CA 1.295 57.745 56.400 0.083 0.000 0.806 38 E CB -0.355 29.372 29.700 0.046 0.000 0.738 38 E HN 0.518 nan 8.360 nan 0.000 0.459 39 I N -0.072 120.503 120.570 0.008 0.000 2.118 39 I HA -0.312 3.860 4.170 0.003 0.000 0.241 39 I C 2.094 178.110 176.117 -0.169 0.000 1.070 39 I CA 1.359 62.565 61.300 -0.158 0.000 1.327 39 I CB -0.350 37.448 38.000 -0.338 0.000 1.034 39 I HN 0.035 nan 8.210 nan 0.000 0.405 40 F N 0.654 120.621 119.950 0.030 0.000 2.186 40 F HA -0.137 4.392 4.527 0.004 0.000 0.299 40 F C 2.499 178.514 175.800 0.359 0.000 1.090 40 F CA 1.181 59.246 58.000 0.108 0.000 1.307 40 F CB -0.510 38.340 39.000 -0.249 0.000 1.019 40 F HN -0.121 nan 8.300 nan 0.000 0.489 41 K N 0.030 120.650 120.400 0.366 0.000 2.057 41 K HA -0.128 4.193 4.320 0.003 0.000 0.207 41 K C 2.223 178.961 176.600 0.230 0.000 1.049 41 K CA 1.570 58.036 56.287 0.299 0.000 0.931 41 K CB -0.368 32.244 32.500 0.188 0.000 0.714 41 K HN 0.157 nan 8.250 nan 0.000 0.440 42 S N 1.341 117.133 115.700 0.154 0.000 2.402 42 S HA -0.041 4.431 4.470 0.003 0.000 0.229 42 S C 1.643 176.313 174.600 0.117 0.000 1.021 42 S CA 0.796 59.053 58.200 0.095 0.000 0.974 42 S CB -0.026 63.191 63.200 0.028 0.000 0.800 42 S HN 0.237 nan 8.310 nan 0.000 0.484 43 L N 1.526 122.857 121.223 0.179 0.000 2.627 43 L HA 0.044 4.386 4.340 0.003 0.000 0.233 43 L C 2.008 179.021 176.870 0.238 0.000 1.144 43 L CA 0.218 55.191 54.840 0.222 0.000 0.892 43 L CB -0.342 41.859 42.059 0.238 0.000 1.039 43 L HN 0.321 nan 8.230 nan 0.000 0.442 44 D N 0.941 121.448 120.400 0.178 0.000 2.092 44 D HA -0.256 4.385 4.640 0.003 0.000 0.193 44 D C 1.695 177.952 176.300 -0.071 0.000 0.994 44 D CA 1.538 55.536 54.000 -0.003 0.000 0.828 44 D CB 0.271 41.110 40.800 0.065 0.000 0.963 44 D HN 0.306 nan 8.370 nan 0.000 0.450 45 N N -0.197 118.512 118.700 0.015 0.000 2.120 45 N HA -0.175 4.566 4.740 0.003 0.000 0.188 45 N C 1.583 177.087 175.510 -0.010 0.000 1.024 45 N CA 1.170 54.217 53.050 -0.005 0.000 0.852 45 N CB -0.584 37.918 38.487 0.025 0.000 1.003 45 N HN 0.375 nan 8.380 nan 0.000 0.424 46 W N 1.162 122.393 121.300 -0.115 0.000 2.338 46 W HA -0.090 4.572 4.660 0.003 0.000 0.304 46 W C 2.175 178.577 176.519 -0.196 0.000 1.212 46 W CA 2.162 59.435 57.345 -0.120 0.000 1.264 46 W CB -0.464 28.949 29.460 -0.079 0.000 1.142 46 W HN 0.126 nan 8.180 nan 0.000 0.512 47 A N 0.030 122.785 122.820 -0.110 0.000 1.902 47 A HA -0.257 4.065 4.320 0.003 0.000 0.217 47 A C 1.961 179.258 177.584 -0.479 0.000 1.181 47 A CA 1.877 53.620 52.037 -0.490 0.000 0.623 47 A CB -1.143 17.264 19.000 -0.988 0.000 0.818 47 A HN 0.515 nan 8.150 nan 0.000 0.443 48 E N -0.337 119.659 120.200 -0.339 0.000 2.097 48 E HA -0.262 4.089 4.350 0.003 0.000 0.196 48 E C 1.827 178.267 176.600 -0.267 0.000 1.000 48 E CA 1.681 57.936 56.400 -0.241 0.000 0.804 48 E CB -0.098 29.506 29.700 -0.159 0.000 0.740 48 E HN 0.743 nan 8.360 nan 0.000 0.454 49 E N -0.723 119.278 120.200 -0.333 0.000 2.299 49 E HA 0.006 4.357 4.350 0.003 0.000 0.193 49 E C 1.407 177.732 176.600 -0.459 0.000 0.998 49 E CA 0.502 56.699 56.400 -0.339 0.000 0.851 49 E CB 0.326 29.854 29.700 -0.286 0.000 0.795 49 E HN 0.225 nan 8.360 nan 0.000 0.492 50 N N -0.788 117.500 118.700 -0.686 0.000 2.382 50 N HA 0.061 4.803 4.740 0.003 0.000 0.200 50 N C 1.079 176.257 175.510 -0.554 0.000 1.122 50 N CA 0.278 52.884 53.050 -0.739 0.000 0.870 50 N CB 0.923 38.641 38.487 -1.282 0.000 1.176 50 N HN 0.066 nan 8.380 nan 0.000 0.474 51 I N 1.389 121.638 120.570 -0.536 0.000 2.900 51 I HA 0.084 4.256 4.170 0.003 0.000 0.251 51 I C 2.311 178.330 176.117 -0.164 0.000 1.102 51 I CA 0.420 61.489 61.300 -0.385 0.000 1.457 51 I CB -1.171 36.479 38.000 -0.583 0.000 1.285 51 I HN -0.045 nan 8.210 nan 0.000 0.459 52 L N 1.567 122.717 121.223 -0.121 0.000 2.129 52 L HA -0.187 4.155 4.340 0.003 0.000 0.212 52 L C 2.601 179.489 176.870 0.030 0.000 1.087 52 L CA 1.389 56.271 54.840 0.069 0.000 0.757 52 L CB -0.770 41.281 42.059 -0.013 0.000 0.896 52 L HN 0.233 nan 8.230 nan 0.000 0.434 53 V N -3.877 115.956 119.914 -0.135 0.000 3.026 53 V HA -0.244 3.878 4.120 0.003 0.000 0.265 53 V C 1.679 177.665 176.094 -0.181 0.000 1.121 53 V CA 1.548 63.731 62.300 -0.194 0.000 1.142 53 V CB -1.168 30.466 31.823 -0.315 0.000 0.730 53 V HN 0.491 nan 8.190 nan 0.000 0.503 54 H N -0.116 119.007 119.070 0.087 0.000 2.539 54 H HA 0.458 5.016 4.556 0.003 0.000 0.269 54 H C 0.551 176.026 175.328 0.245 0.000 0.980 54 H CA -0.259 55.883 56.048 0.158 0.000 1.152 54 H CB 0.092 29.947 29.762 0.155 0.000 1.407 54 H HN 0.401 nan 8.280 nan 0.000 0.564 55 L N 1.283 122.691 121.223 0.308 0.000 2.326 55 L HA 0.208 4.550 4.340 0.003 0.000 0.278 55 L C 0.125 177.053 176.870 0.096 0.000 1.092 55 L CA -0.764 54.181 54.840 0.175 0.000 0.810 55 L CB 0.694 42.806 42.059 0.089 0.000 1.153 55 L HN -0.088 nan 8.230 nan 0.000 0.439 56 K N 3.729 124.173 120.400 0.073 0.000 2.234 56 K HA 0.356 4.678 4.320 0.003 0.000 0.282 56 K C -2.262 174.340 176.600 0.002 0.000 1.039 56 K CA -2.064 54.248 56.287 0.042 0.000 0.928 56 K CB 0.647 33.178 32.500 0.051 0.000 1.039 56 K HN 0.157 nan 8.250 nan 0.000 0.470 57 P HA -0.031 nan 4.420 nan 0.000 0.267 57 P C 0.765 178.046 177.300 -0.031 0.000 1.200 57 P CA -0.244 62.846 63.100 -0.017 0.000 0.772 57 P CB 0.576 32.270 31.700 -0.010 0.000 0.855 58 V N 1.901 121.789 119.914 -0.044 0.000 2.332 58 V HA -0.232 3.890 4.120 0.003 0.000 0.248 58 V C 2.136 178.202 176.094 -0.047 0.000 1.055 58 V CA 1.818 64.081 62.300 -0.062 0.000 1.038 58 V CB -0.915 30.870 31.823 -0.063 0.000 0.651 58 V HN 0.587 nan 8.190 nan 0.000 0.450 59 E N 0.033 120.216 120.200 -0.028 0.000 2.209 59 E HA -0.177 4.175 4.350 0.003 0.000 0.196 59 E C 2.084 178.682 176.600 -0.004 0.000 0.993 59 E CA 0.880 57.270 56.400 -0.016 0.000 0.819 59 E CB -0.199 29.495 29.700 -0.011 0.000 0.745 59 E HN 0.477 nan 8.360 nan 0.000 0.477 60 K N -0.227 120.173 120.400 -0.000 0.000 2.393 60 K HA 0.084 4.405 4.320 0.003 0.000 0.193 60 K C 0.701 177.325 176.600 0.040 0.000 1.026 60 K CA -0.026 56.275 56.287 0.023 0.000 1.064 60 K CB -0.123 32.392 32.500 0.026 0.000 0.833 60 K HN 0.062 nan 8.250 nan 0.000 0.521 61 C N 2.847 122.144 119.300 -0.003 0.000 2.539 61 C HA 0.246 4.707 4.460 0.003 0.000 0.392 61 C C 1.033 176.035 174.990 0.021 0.000 1.269 61 C CA -1.454 57.536 59.018 -0.046 0.000 2.250 61 C CB -0.221 27.399 27.740 -0.201 0.000 2.584 61 C HN 0.525 nan 8.230 nan 0.000 0.589 62 W N 2.260 123.619 121.300 0.098 0.000 2.126 62 W HA 0.452 5.113 4.660 0.002 0.000 0.346 62 W C -0.560 176.041 176.519 0.137 0.000 1.279 62 W CA -0.185 57.248 57.345 0.146 0.000 1.259 62 W CB 0.187 29.838 29.460 0.318 0.000 1.133 62 W HN 0.479 nan 8.180 nan 0.000 0.592 63 Q N 1.416 121.466 119.800 0.417 0.000 2.433 63 Q HA 0.257 4.598 4.340 0.003 0.000 0.279 63 Q C -1.714 174.650 176.000 0.607 0.000 1.105 63 Q CA -2.147 53.804 55.803 0.247 0.000 0.815 63 Q CB 1.638 30.426 28.738 0.084 0.000 1.403 63 Q HN 0.092 nan 8.270 nan 0.000 0.435 64 P HA -0.232 nan 4.420 nan 0.000 0.217 64 P C 1.183 178.708 177.300 0.375 0.000 1.151 64 P CA 1.572 64.987 63.100 0.524 0.000 0.849 64 P CB 0.473 32.366 31.700 0.322 0.000 0.787 65 Q N 0.070 120.010 119.800 0.233 0.000 2.181 65 Q HA -0.185 4.157 4.340 0.003 0.000 0.205 65 Q C 1.412 177.462 176.000 0.084 0.000 0.980 65 Q CA 1.644 57.533 55.803 0.143 0.000 0.862 65 Q CB -1.238 27.550 28.738 0.083 0.000 0.905 65 Q HN 0.200 nan 8.270 nan 0.000 0.429 66 D N -1.061 119.364 120.400 0.041 0.000 2.311 66 D HA -0.152 4.490 4.640 0.003 0.000 0.212 66 D C 0.179 176.127 176.300 -0.586 0.000 0.972 66 D CA 0.936 54.762 54.000 -0.291 0.000 0.887 66 D CB 0.017 40.550 40.800 -0.444 0.000 0.915 66 D HN 0.350 nan 8.370 nan 0.000 0.497 67 F N -0.559 119.440 119.950 0.082 0.000 2.772 67 F HA 0.322 4.851 4.527 0.003 0.000 0.316 67 F C 0.415 176.261 175.800 0.076 0.000 1.114 67 F CA -0.277 57.742 58.000 0.031 0.000 1.191 67 F CB 0.613 39.582 39.000 -0.053 0.000 1.065 67 F HN -0.265 nan 8.300 nan 0.000 0.534 68 L N 0.158 121.514 121.223 0.222 0.000 2.323 68 L HA 0.569 4.910 4.340 0.003 0.000 0.265 68 L C -2.359 174.629 176.870 0.196 0.000 1.012 68 L CA -2.296 52.681 54.840 0.229 0.000 0.820 68 L CB 1.763 43.968 42.059 0.243 0.000 1.334 68 L HN -0.285 nan 8.230 nan 0.000 0.427 69 P HA -0.078 nan 4.420 nan 0.000 0.263 69 P C -1.167 176.339 177.300 0.344 0.000 1.175 69 P CA 0.114 63.366 63.100 0.253 0.000 0.761 69 P CB 0.330 32.149 31.700 0.199 0.000 0.794 70 D N 4.549 125.128 120.400 0.298 0.000 2.380 70 D HA 0.109 4.750 4.640 0.003 0.000 0.230 70 D C -1.567 174.798 176.300 0.108 0.000 1.154 70 D CA -2.373 51.730 54.000 0.171 0.000 0.859 70 D CB 0.645 41.505 40.800 0.099 0.000 1.045 70 D HN 0.173 nan 8.370 nan 0.000 0.495 71 P HA 0.033 nan 4.420 nan 0.000 0.237 71 P C 0.414 177.464 177.300 -0.417 0.000 1.178 71 P CA 0.285 62.874 63.100 -0.851 0.000 0.766 71 P CB 0.348 31.584 31.700 -0.773 0.000 0.876 72 A N -0.367 122.350 122.820 -0.172 0.000 2.545 72 A HA 0.381 4.703 4.320 0.003 0.000 0.277 72 A C 0.686 178.250 177.584 -0.034 0.000 1.301 72 A CA -0.097 51.882 52.037 -0.097 0.000 0.935 72 A CB -0.345 18.612 19.000 -0.071 0.000 1.093 72 A HN 0.268 nan 8.150 nan 0.000 0.519 73 S N -1.483 114.219 115.700 0.004 0.000 2.600 73 S HA 0.448 4.919 4.470 0.003 0.000 0.300 73 S C -0.240 174.409 174.600 0.081 0.000 1.087 73 S CA -0.570 57.657 58.200 0.045 0.000 0.965 73 S CB 1.424 64.662 63.200 0.063 0.000 1.089 73 S HN 0.088 nan 8.310 nan 0.000 0.496 74 D N 1.629 122.068 120.400 0.065 0.000 2.309 74 D HA 0.039 4.681 4.640 0.003 0.000 0.212 74 D C 1.754 178.111 176.300 0.095 0.000 0.968 74 D CA 1.321 55.365 54.000 0.073 0.000 0.882 74 D CB -0.538 40.289 40.800 0.046 0.000 0.918 74 D HN 0.818 nan 8.370 nan 0.000 0.503 75 G N -0.399 108.461 108.800 0.101 0.000 2.920 75 G HA2 -0.158 3.803 3.960 0.003 0.000 0.208 75 G HA3 -0.158 3.803 3.960 0.003 0.000 0.208 75 G C 1.190 176.173 174.900 0.137 0.000 1.159 75 G CA -0.349 44.807 45.100 0.094 0.000 0.784 75 G HN 0.117 nan 8.290 nan 0.000 0.535 76 F N 2.508 122.471 119.950 0.022 0.000 2.045 76 F HA -0.213 4.315 4.527 0.003 0.000 0.297 76 F C 2.071 177.888 175.800 0.029 0.000 1.114 76 F CA 2.102 60.119 58.000 0.029 0.000 1.207 76 F CB -0.196 38.821 39.000 0.029 0.000 0.964 76 F HN 0.133 nan 8.300 nan 0.000 0.486 77 D N 0.058 120.434 120.400 -0.041 0.000 2.092 77 D HA -0.227 4.415 4.640 0.003 0.000 0.193 77 D C 2.270 178.473 176.300 -0.162 0.000 0.994 77 D CA 1.840 55.738 54.000 -0.170 0.000 0.828 77 D CB -0.691 40.099 40.800 -0.017 0.000 0.963 77 D HN 0.699 nan 8.370 nan 0.000 0.450 78 E N 0.730 120.888 120.200 -0.070 0.000 2.153 78 E HA -0.215 4.137 4.350 0.003 0.000 0.194 78 E C 1.848 178.409 176.600 -0.064 0.000 0.988 78 E CA 0.885 57.253 56.400 -0.053 0.000 0.811 78 E CB -0.312 29.379 29.700 -0.015 0.000 0.746 78 E HN 0.339 nan 8.360 nan 0.000 0.466 79 Q N 0.710 120.467 119.800 -0.071 0.000 2.046 79 Q HA -0.085 4.257 4.340 0.003 0.000 0.200 79 Q C 2.477 178.422 176.000 -0.093 0.000 0.975 79 Q CA 1.603 57.378 55.803 -0.046 0.000 0.836 79 Q CB 0.058 28.802 28.738 0.009 0.000 0.896 79 Q HN 0.194 nan 8.270 nan 0.000 0.428 80 V N 1.047 120.817 119.914 -0.239 0.000 2.343 80 V HA -0.276 3.846 4.120 0.003 0.000 0.247 80 V C 2.346 178.348 176.094 -0.154 0.000 1.051 80 V CA 1.938 64.083 62.300 -0.257 0.000 1.036 80 V CB -0.569 30.942 31.823 -0.521 0.000 0.654 80 V HN 0.322 nan 8.190 nan 0.000 0.451 81 R N 0.010 120.426 120.500 -0.141 0.000 2.081 81 R HA -0.176 4.166 4.340 0.003 0.000 0.235 81 R C 2.266 178.538 176.300 -0.047 0.000 1.131 81 R CA 1.851 57.898 56.100 -0.088 0.000 0.960 81 R CB -0.161 30.095 30.300 -0.074 0.000 0.856 81 R HN 0.611 nan 8.270 nan 0.000 0.436 82 E N 0.613 120.794 120.200 -0.032 0.000 2.106 82 E HA -0.204 4.148 4.350 0.003 0.000 0.192 82 E C 2.117 178.732 176.600 0.024 0.000 0.984 82 E CA 1.040 57.440 56.400 -0.002 0.000 0.806 82 E CB -0.154 29.549 29.700 0.006 0.000 0.750 82 E HN 0.340 nan 8.360 nan 0.000 0.458 83 L N 1.217 122.459 121.223 0.032 0.000 2.012 83 L HA -0.246 4.096 4.340 0.003 0.000 0.210 83 L C 2.456 179.368 176.870 0.071 0.000 1.073 83 L CA 1.575 56.469 54.840 0.090 0.000 0.748 83 L CB -0.031 42.081 42.059 0.089 0.000 0.891 83 L HN 0.009 nan 8.230 nan 0.000 0.431 84 R N -0.873 119.627 120.500 -0.001 0.000 2.090 84 R HA -0.121 4.220 4.340 0.003 0.000 0.228 84 R C 2.152 178.453 176.300 0.002 0.000 1.110 84 R CA 1.013 57.098 56.100 -0.025 0.000 0.973 84 R CB -0.273 29.983 30.300 -0.073 0.000 0.869 84 R HN 0.309 nan 8.270 nan 0.000 0.440 85 E N 0.977 121.179 120.200 0.003 0.000 2.058 85 E HA -0.154 4.198 4.350 0.003 0.000 0.194 85 E C 1.967 178.585 176.600 0.030 0.000 0.997 85 E CA 1.331 57.736 56.400 0.007 0.000 0.801 85 E CB -0.102 29.599 29.700 0.001 0.000 0.746 85 E HN 0.220 nan 8.360 nan 0.000 0.450 86 R N 0.012 120.543 120.500 0.052 0.000 2.096 86 R HA -0.021 4.321 4.340 0.003 0.000 0.235 86 R C 2.224 178.593 176.300 0.115 0.000 1.127 86 R CA 1.238 57.380 56.100 0.070 0.000 0.968 86 R CB -0.300 30.054 30.300 0.091 0.000 0.861 86 R HN 0.134 nan 8.270 nan 0.000 0.440 87 A N 1.177 124.101 122.820 0.174 0.000 2.015 87 A HA -0.159 4.163 4.320 0.003 0.000 0.219 87 A C 1.723 179.454 177.584 0.244 0.000 1.163 87 A CA 1.219 53.445 52.037 0.315 0.000 0.646 87 A CB -0.188 18.976 19.000 0.273 0.000 0.806 87 A HN 0.211 nan 8.150 nan 0.000 0.448 88 K N -0.291 120.172 120.400 0.105 0.000 2.211 88 K HA -0.074 4.248 4.320 0.003 0.000 0.203 88 K C 0.929 177.563 176.600 0.056 0.000 1.050 88 K CA 1.103 57.428 56.287 0.063 0.000 0.945 88 K CB 0.058 32.569 32.500 0.018 0.000 0.732 88 K HN 0.336 nan 8.250 nan 0.000 0.451 89 E N 0.296 120.515 120.200 0.032 0.000 2.474 89 E HA 0.106 4.458 4.350 0.003 0.000 0.195 89 E C 0.136 176.653 176.600 -0.137 0.000 1.039 89 E CA 0.211 56.585 56.400 -0.045 0.000 0.881 89 E CB 0.261 29.924 29.700 -0.061 0.000 0.970 89 E HN 0.290 nan 8.360 nan 0.000 0.486 90 I N 3.309 123.860 120.570 -0.032 0.000 2.315 90 I HA 0.167 4.339 4.170 0.003 0.000 0.291 90 I C -2.226 173.932 176.117 0.068 0.000 1.006 90 I CA -2.203 59.007 61.300 -0.150 0.000 1.265 90 I CB 1.150 39.049 38.000 -0.168 0.000 1.387 90 I HN -0.275 nan 8.210 nan 0.000 0.475 91 P HA 0.073 nan 4.420 nan 0.000 0.272 91 P C 0.010 177.478 177.300 0.280 0.000 1.223 91 P CA -0.210 62.957 63.100 0.111 0.000 0.784 91 P CB 0.747 32.478 31.700 0.051 0.000 0.923 92 D N 0.943 121.506 120.400 0.271 0.000 2.149 92 D HA -0.164 4.477 4.640 0.003 0.000 0.198 92 D C 1.019 177.467 176.300 0.246 0.000 0.990 92 D CA 1.510 55.694 54.000 0.307 0.000 0.839 92 D CB -0.489 40.428 40.800 0.195 0.000 0.948 92 D HN 0.437 nan 8.370 nan 0.000 0.460 93 D N -0.329 120.171 120.400 0.166 0.000 2.126 93 D HA -0.234 4.407 4.640 0.003 0.000 0.190 93 D C 1.873 178.248 176.300 0.125 0.000 1.001 93 D CA 1.027 55.090 54.000 0.105 0.000 0.841 93 D CB -0.657 40.206 40.800 0.106 0.000 0.949 93 D HN 0.345 nan 8.370 nan 0.000 0.446 94 Y N -0.304 120.013 120.300 0.029 0.000 2.293 94 Y HA -0.107 4.444 4.550 0.003 0.000 0.291 94 Y C 1.835 177.697 175.900 -0.064 0.000 1.137 94 Y CA 1.011 59.089 58.100 -0.037 0.000 1.202 94 Y CB -0.263 38.148 38.460 -0.081 0.000 0.990 94 Y HN -0.124 nan 8.280 nan 0.000 0.537 95 F N -0.952 119.130 119.950 0.221 0.000 2.186 95 F HA -0.196 4.332 4.527 0.003 0.000 0.299 95 F C 2.380 178.218 175.800 0.064 0.000 1.090 95 F CA 1.407 59.494 58.000 0.145 0.000 1.307 95 F CB -0.963 38.139 39.000 0.170 0.000 1.019 95 F HN -0.128 nan 8.300 nan 0.000 0.489 96 V N -0.668 119.376 119.914 0.218 0.000 2.287 96 V HA -0.299 3.823 4.120 0.003 0.000 0.248 96 V C 2.300 178.551 176.094 0.262 0.000 1.053 96 V CA 1.712 64.118 62.300 0.177 0.000 1.027 96 V CB -0.806 30.884 31.823 -0.223 0.000 0.646 96 V HN 0.152 nan 8.190 nan 0.000 0.447 97 V N -0.678 119.322 119.914 0.144 0.000 2.270 97 V HA -0.226 3.896 4.120 0.003 0.000 0.245 97 V C 2.350 178.498 176.094 0.090 0.000 1.043 97 V CA 1.967 64.394 62.300 0.213 0.000 1.014 97 V CB -0.597 31.190 31.823 -0.059 0.000 0.645 97 V HN 0.472 nan 8.190 nan 0.000 0.447 98 L N -0.089 121.038 121.223 -0.160 0.000 2.042 98 L HA -0.151 4.190 4.340 0.003 0.000 0.210 98 L C 2.345 179.187 176.870 -0.048 0.000 1.076 98 L CA 1.807 56.561 54.840 -0.143 0.000 0.749 98 L CB -0.502 41.434 42.059 -0.205 0.000 0.893 98 L HN 0.132 nan 8.230 nan 0.000 0.432 99 V N -0.416 119.459 119.914 -0.065 0.000 2.295 99 V HA -0.220 3.901 4.120 0.003 0.000 0.246 99 V C 2.571 178.292 176.094 -0.622 0.000 1.049 99 V CA 1.847 63.966 62.300 -0.302 0.000 1.024 99 V CB -1.519 30.088 31.823 -0.360 0.000 0.648 99 V HN 0.613 nan 8.190 nan 0.000 0.447 100 G N -0.473 107.899 108.800 -0.714 0.000 2.422 100 G HA2 -0.253 3.709 3.960 0.003 0.000 0.218 100 G HA3 -0.253 3.709 3.960 0.003 0.000 0.218 100 G C 1.239 175.823 174.900 -0.527 0.000 1.146 100 G CA 1.048 45.448 45.100 -1.167 0.000 0.769 100 G HN 0.503 nan 8.290 nan 0.000 0.547 101 D N 0.018 120.350 120.400 -0.112 0.000 2.117 101 D HA -0.101 4.541 4.640 0.003 0.000 0.198 101 D C 2.345 178.678 176.300 0.056 0.000 0.982 101 D CA 0.594 54.626 54.000 0.052 0.000 0.828 101 D CB -0.314 40.521 40.800 0.059 0.000 0.967 101 D HN 0.216 nan 8.370 nan 0.000 0.464 102 M N 0.521 120.114 119.600 -0.012 0.000 2.086 102 M HA -0.148 4.334 4.480 0.003 0.000 0.261 102 M C 2.083 178.368 176.300 -0.025 0.000 1.067 102 M CA 1.251 56.558 55.300 0.011 0.000 1.116 102 M CB -0.430 32.166 32.600 -0.007 0.000 1.348 102 M HN -0.032 nan 8.290 nan 0.000 0.407 103 I N 0.101 120.575 120.570 -0.159 0.000 2.208 103 I HA -0.316 3.856 4.170 0.003 0.000 0.245 103 I C 2.162 178.292 176.117 0.023 0.000 1.097 103 I CA 1.730 62.952 61.300 -0.130 0.000 1.363 103 I CB -0.647 37.179 38.000 -0.289 0.000 1.051 103 I HN 0.342 nan 8.210 nan 0.000 0.413 104 T N 0.125 114.722 114.554 0.071 0.000 2.746 104 T HA -0.162 4.190 4.350 0.003 0.000 0.267 104 T C 1.793 176.698 174.700 0.342 0.000 1.039 104 T CA 1.190 63.435 62.100 0.242 0.000 1.142 104 T CB -0.194 68.823 68.868 0.247 0.000 0.866 104 T HN 0.340 nan 8.240 nan 0.000 0.444 105 E N 1.133 121.492 120.200 0.266 0.000 2.110 105 E HA -0.123 4.229 4.350 0.003 0.000 0.193 105 E C 2.273 178.985 176.600 0.187 0.000 0.988 105 E CA 0.848 57.420 56.400 0.288 0.000 0.804 105 E CB -0.150 29.706 29.700 0.260 0.000 0.745 105 E HN 0.554 nan 8.360 nan 0.000 0.458 106 E N 0.381 120.643 120.200 0.104 0.000 2.274 106 E HA -0.048 4.304 4.350 0.003 0.000 0.194 106 E C 1.624 178.208 176.600 -0.026 0.000 0.996 106 E CA 0.479 56.897 56.400 0.029 0.000 0.840 106 E CB 0.002 29.706 29.700 0.007 0.000 0.772 106 E HN 0.123 nan 8.360 nan 0.000 0.491 107 A N 1.343 124.142 122.820 -0.035 0.000 2.258 107 A HA -0.044 4.278 4.320 0.003 0.000 0.206 107 A C 1.944 179.201 177.584 -0.545 0.000 1.222 107 A CA 0.072 51.989 52.037 -0.201 0.000 0.822 107 A CB -0.579 18.353 19.000 -0.114 0.000 0.804 107 A HN 0.176 nan 8.150 nan 0.000 0.483 108 L N 0.812 121.823 121.223 -0.353 0.000 2.058 108 L HA -0.206 4.136 4.340 0.003 0.000 0.226 108 L C -0.690 176.020 176.870 -0.266 0.000 1.089 108 L CA 3.054 57.718 54.840 -0.294 0.000 0.799 108 L CB -1.410 40.602 42.059 -0.079 0.000 0.900 108 L HN 0.215 nan 8.230 nan 0.000 0.442 109 P HA -0.175 nan 4.420 nan 0.000 0.216 109 P C 1.682 178.932 177.300 -0.083 0.000 1.154 109 P CA 2.373 65.420 63.100 -0.087 0.000 0.865 109 P CB -0.312 31.343 31.700 -0.075 0.000 0.789 110 T N -1.558 112.874 114.554 -0.203 0.000 2.699 110 T HA -0.209 4.142 4.350 0.003 0.000 0.268 110 T C 1.409 176.154 174.700 0.074 0.000 1.036 110 T CA 1.582 63.612 62.100 -0.116 0.000 1.147 110 T CB -0.971 67.784 68.868 -0.189 0.000 0.862 110 T HN 0.112 nan 8.240 nan 0.000 0.446 111 Y N 1.180 121.599 120.300 0.199 0.000 2.337 111 Y HA 0.087 4.639 4.550 0.003 0.000 0.293 111 Y C 2.611 178.678 175.900 0.277 0.000 1.123 111 Y CA -0.235 58.033 58.100 0.280 0.000 1.201 111 Y CB -1.074 37.673 38.460 0.480 0.000 1.011 111 Y HN 0.274 nan 8.280 nan 0.000 0.545 112 Q N 0.053 120.084 119.800 0.385 0.000 2.079 112 Q HA -0.157 4.184 4.340 0.003 0.000 0.200 112 Q C 1.884 177.984 176.000 0.166 0.000 0.974 112 Q CA 2.129 58.106 55.803 0.289 0.000 0.840 112 Q CB -0.125 28.746 28.738 0.221 0.000 0.898 112 Q HN 0.393 nan 8.270 nan 0.000 0.430 113 T N 1.423 116.049 114.554 0.119 0.000 2.720 113 T HA -0.206 4.146 4.350 0.003 0.000 0.268 113 T C 1.635 176.367 174.700 0.054 0.000 1.037 113 T CA 1.414 63.556 62.100 0.070 0.000 1.144 113 T CB -0.224 68.671 68.868 0.045 0.000 0.864 113 T HN 0.347 nan 8.240 nan 0.000 0.444 114 M N 0.890 120.543 119.600 0.088 0.000 2.082 114 M HA -0.089 4.392 4.480 0.003 0.000 0.258 114 M C 2.165 178.446 176.300 -0.032 0.000 1.071 114 M CA 1.838 57.157 55.300 0.032 0.000 1.103 114 M CB -0.889 31.769 32.600 0.097 0.000 1.307 114 M HN 0.275 nan 8.290 nan 0.000 0.409 115 L N 0.463 121.689 121.223 0.005 0.000 2.127 115 L HA -0.244 4.098 4.340 0.003 0.000 0.211 115 L C 1.759 178.615 176.870 -0.022 0.000 1.089 115 L CA 1.060 55.886 54.840 -0.023 0.000 0.757 115 L CB -0.898 41.206 42.059 0.074 0.000 0.899 115 L HN 0.372 nan 8.230 nan 0.000 0.434 116 N N -0.755 117.957 118.700 0.021 0.000 2.461 116 N HA -0.059 4.682 4.740 0.003 0.000 0.188 116 N C 1.664 177.162 175.510 -0.020 0.000 1.134 116 N CA 1.159 54.220 53.050 0.018 0.000 0.878 116 N CB 0.030 38.549 38.487 0.054 0.000 0.972 116 N HN 0.437 nan 8.380 nan 0.000 0.456 117 T N -2.463 112.055 114.554 -0.061 0.000 3.081 117 T HA 0.171 4.523 4.350 0.003 0.000 0.255 117 T C 0.862 175.481 174.700 -0.135 0.000 1.113 117 T CA -0.046 62.002 62.100 -0.087 0.000 1.082 117 T CB 0.013 68.811 68.868 -0.117 0.000 0.939 117 T HN -0.019 nan 8.240 nan 0.000 0.506 118 L N 2.398 123.506 121.223 -0.193 0.000 2.360 118 L HA 0.290 4.632 4.340 0.003 0.000 0.276 118 L C 1.078 177.785 176.870 -0.271 0.000 1.121 118 L CA -0.711 53.945 54.840 -0.306 0.000 0.845 118 L CB 0.599 42.356 42.059 -0.504 0.000 1.143 118 L HN -0.013 nan 8.230 nan 0.000 0.452 119 D N 3.419 123.675 120.400 -0.240 0.000 2.116 119 D HA -0.145 4.497 4.640 0.003 0.000 0.193 119 D C 1.774 177.961 176.300 -0.188 0.000 0.998 119 D CA 1.871 55.786 54.000 -0.141 0.000 0.836 119 D CB 0.199 40.964 40.800 -0.058 0.000 0.951 119 D HN 0.833 nan 8.370 nan 0.000 0.449 120 G N -0.330 108.247 108.800 -0.372 0.000 3.042 120 G HA2 0.116 4.078 3.960 0.003 0.000 0.212 120 G HA3 0.116 4.078 3.960 0.003 0.000 0.212 120 G C 1.235 175.917 174.900 -0.364 0.000 1.166 120 G CA 0.592 45.514 45.100 -0.298 0.000 0.767 120 G HN 0.326 nan 8.290 nan 0.000 0.546 121 V N -2.795 116.863 119.914 -0.428 0.000 3.382 121 V HA 0.424 4.546 4.120 0.003 0.000 0.296 121 V C 0.735 176.825 176.094 -0.006 0.000 1.529 121 V CA -0.478 61.610 62.300 -0.354 0.000 1.048 121 V CB -0.407 31.059 31.823 -0.594 0.000 0.878 121 V HN 0.221 nan 8.190 nan 0.000 0.442 122 R N 1.665 122.143 120.500 -0.037 0.000 2.590 122 R HA 0.103 4.445 4.340 0.003 0.000 0.274 122 R C -0.522 175.834 176.300 0.093 0.000 1.061 122 R CA 0.024 56.141 56.100 0.028 0.000 1.081 122 R CB 0.586 30.882 30.300 -0.006 0.000 0.984 122 R HN 0.347 nan 8.270 nan 0.000 0.448 123 D N 3.048 123.513 120.400 0.108 0.000 2.344 123 D HA -0.001 4.641 4.640 0.003 0.000 0.253 123 D C 0.298 176.643 176.300 0.075 0.000 1.255 123 D CA 0.072 54.137 54.000 0.109 0.000 0.894 123 D CB 1.001 41.868 40.800 0.112 0.000 1.067 123 D HN 0.533 nan 8.370 nan 0.000 0.492 124 E N 1.689 121.932 120.200 0.071 0.000 2.427 124 E HA -0.057 4.295 4.350 0.003 0.000 0.196 124 E C 1.320 177.946 176.600 0.044 0.000 1.028 124 E CA 0.757 57.188 56.400 0.052 0.000 0.864 124 E CB 0.439 30.169 29.700 0.050 0.000 0.813 124 E HN 0.642 nan 8.360 nan 0.000 0.514 125 T N -5.187 109.396 114.554 0.049 0.000 2.966 125 T HA 0.339 4.691 4.350 0.003 0.000 0.254 125 T C 1.485 176.208 174.700 0.038 0.000 0.961 125 T CA 0.678 62.801 62.100 0.039 0.000 0.915 125 T CB 1.058 69.949 68.868 0.038 0.000 1.186 125 T HN 0.157 nan 8.240 nan 0.000 0.505 126 G N 1.277 110.105 108.800 0.047 0.000 2.213 126 G HA2 0.079 4.041 3.960 0.003 0.000 0.226 126 G HA3 0.079 4.041 3.960 0.003 0.000 0.226 126 G C 0.519 175.445 174.900 0.044 0.000 0.992 126 G CA -0.102 45.025 45.100 0.045 0.000 0.632 126 G HN 1.581 nan 8.290 nan 0.000 0.511 127 A N -0.070 122.777 122.820 0.045 0.000 2.709 127 A HA 0.750 5.072 4.320 0.003 0.000 0.241 127 A C 0.403 178.017 177.584 0.050 0.000 0.879 127 A CA 1.401 53.464 52.037 0.043 0.000 1.120 127 A CB -0.003 19.015 19.000 0.030 0.000 1.226 127 A HN 1.591 nan 8.150 nan 0.000 0.468 128 S N 1.675 117.414 115.700 0.066 0.000 2.549 128 S HA 0.351 4.823 4.470 0.003 0.000 0.283 128 S C -1.203 173.443 174.600 0.078 0.000 1.320 128 S CA -0.543 57.702 58.200 0.075 0.000 1.058 128 S CB 0.661 63.918 63.200 0.096 0.000 0.882 128 S HN 0.364 nan 8.310 nan 0.000 0.498 129 P HA 0.120 nan 4.420 nan 0.000 0.257 129 P C 0.328 177.667 177.300 0.064 0.000 1.325 129 P CA -0.076 63.058 63.100 0.056 0.000 0.850 129 P CB -0.668 31.057 31.700 0.041 0.000 1.324 130 T N -3.037 111.575 114.554 0.097 0.000 2.900 130 T HA 0.124 4.475 4.350 0.003 0.000 0.307 130 T C 1.389 176.134 174.700 0.075 0.000 1.065 130 T CA -0.096 62.070 62.100 0.110 0.000 1.105 130 T CB 0.459 69.455 68.868 0.213 0.000 0.979 130 T HN -0.128 nan 8.240 nan 0.000 0.544 131 S N 1.217 116.890 115.700 -0.046 0.000 2.383 131 S HA -0.103 4.369 4.470 0.003 0.000 0.229 131 S C 1.505 176.078 174.600 -0.044 0.000 1.030 131 S CA 1.414 59.527 58.200 -0.145 0.000 1.002 131 S CB -0.599 62.376 63.200 -0.374 0.000 0.829 131 S HN 0.889 nan 8.310 nan 0.000 0.467 132 W N 1.703 123.118 121.300 0.192 0.000 2.379 132 W HA 0.019 4.680 4.660 0.002 0.000 0.307 132 W C 2.810 179.495 176.519 0.277 0.000 1.200 132 W CA 0.517 58.011 57.345 0.248 0.000 1.297 132 W CB -0.634 28.964 29.460 0.230 0.000 1.140 132 W HN 0.252 nan 8.180 nan 0.000 0.507 133 A N 0.466 123.531 122.820 0.409 0.000 1.930 133 A HA -0.152 4.170 4.320 0.003 0.000 0.217 133 A C 1.855 179.572 177.584 0.222 0.000 1.175 133 A CA 1.549 53.754 52.037 0.279 0.000 0.627 133 A CB -0.929 18.192 19.000 0.201 0.000 0.815 133 A HN 0.310 nan 8.150 nan 0.000 0.443 134 I N -1.413 119.270 120.570 0.188 0.000 2.226 134 I HA -0.279 3.893 4.170 0.003 0.000 0.245 134 I C 2.522 178.736 176.117 0.161 0.000 1.100 134 I CA 1.422 62.801 61.300 0.133 0.000 1.374 134 I CB -0.345 37.707 38.000 0.087 0.000 1.057 134 I HN 0.753 nan 8.210 nan 0.000 0.413 135 W N 2.007 123.358 121.300 0.084 0.000 2.333 135 W HA -0.267 4.395 4.660 0.004 0.000 0.316 135 W C 2.340 178.972 176.519 0.189 0.000 1.215 135 W CA 2.269 59.676 57.345 0.103 0.000 1.278 135 W CB -0.656 28.858 29.460 0.090 0.000 1.154 135 W HN 0.081 nan 8.180 nan 0.000 0.486 136 T N 1.420 116.125 114.554 0.251 0.000 2.684 136 T HA -0.231 4.120 4.350 0.003 0.000 0.267 136 T C 1.913 176.688 174.700 0.125 0.000 1.036 136 T CA 2.224 64.445 62.100 0.202 0.000 1.148 136 T CB -0.379 68.672 68.868 0.305 0.000 0.863 136 T HN 0.191 nan 8.240 nan 0.000 0.436 137 R N 0.794 121.349 120.500 0.091 0.000 2.081 137 R HA 0.017 4.359 4.340 0.003 0.000 0.235 137 R C 2.771 179.050 176.300 -0.034 0.000 1.131 137 R CA 1.379 57.505 56.100 0.044 0.000 0.960 137 R CB -0.440 29.885 30.300 0.041 0.000 0.856 137 R HN 0.364 nan 8.270 nan 0.000 0.436 138 A N 0.080 122.844 122.820 -0.095 0.000 1.968 138 A HA -0.163 4.159 4.320 0.003 0.000 0.217 138 A C 1.850 179.270 177.584 -0.274 0.000 1.169 138 A CA 0.775 52.711 52.037 -0.167 0.000 0.638 138 A CB -0.655 18.255 19.000 -0.151 0.000 0.812 138 A HN 0.612 nan 8.150 nan 0.000 0.446 139 W N 1.245 122.158 121.300 -0.644 0.000 2.379 139 W HA -0.145 4.517 4.660 0.003 0.000 0.307 139 W C 2.039 178.328 176.519 -0.383 0.000 1.200 139 W CA 2.384 59.280 57.345 -0.748 0.000 1.297 139 W CB -0.469 28.340 29.460 -1.086 0.000 1.140 139 W HN 0.243 nan 8.180 nan 0.000 0.507 140 T N 1.083 115.592 114.554 -0.076 0.000 2.684 140 T HA -0.269 4.083 4.350 0.003 0.000 0.267 140 T C 1.970 176.475 174.700 -0.324 0.000 1.036 140 T CA 2.300 64.278 62.100 -0.204 0.000 1.148 140 T CB -1.087 67.824 68.868 0.070 0.000 0.863 140 T HN 0.292 nan 8.240 nan 0.000 0.436 141 A N 1.502 124.180 122.820 -0.238 0.000 1.940 141 A HA -0.180 4.142 4.320 0.003 0.000 0.219 141 A C 2.232 179.625 177.584 -0.318 0.000 1.176 141 A CA 1.710 53.609 52.037 -0.230 0.000 0.631 141 A CB -0.517 18.381 19.000 -0.170 0.000 0.814 141 A HN 0.597 nan 8.150 nan 0.000 0.446 142 E N -0.568 119.398 120.200 -0.390 0.000 2.072 142 E HA -0.144 4.208 4.350 0.003 0.000 0.190 142 E C 1.911 178.121 176.600 -0.651 0.000 0.982 142 E CA 0.981 57.124 56.400 -0.428 0.000 0.803 142 E CB -0.142 29.399 29.700 -0.265 0.000 0.755 142 E HN 0.563 nan 8.360 nan 0.000 0.453 143 E N 0.939 120.658 120.200 -0.801 0.000 2.150 143 E HA -0.169 4.183 4.350 0.003 0.000 0.193 143 E C 1.767 178.016 176.600 -0.585 0.000 0.985 143 E CA 0.629 56.469 56.400 -0.933 0.000 0.814 143 E CB -0.305 28.860 29.700 -0.892 0.000 0.752 143 E HN 0.167 nan 8.360 nan 0.000 0.466 144 N N 1.660 120.119 118.700 -0.401 0.000 2.205 144 N HA -0.178 4.564 4.740 0.003 0.000 0.186 144 N C 1.621 177.042 175.510 -0.149 0.000 1.015 144 N CA 1.227 54.146 53.050 -0.218 0.000 0.862 144 N CB 0.029 38.409 38.487 -0.178 0.000 0.986 144 N HN 0.136 nan 8.380 nan 0.000 0.429 145 R N -1.352 119.021 120.500 -0.211 0.000 2.189 145 R HA -0.018 4.324 4.340 0.003 0.000 0.218 145 R C 1.549 177.992 176.300 0.237 0.000 1.074 145 R CA 1.066 57.123 56.100 -0.072 0.000 0.991 145 R CB -0.730 29.354 30.300 -0.360 0.000 0.883 145 R HN 0.596 nan 8.270 nan 0.000 0.457 146 H N 0.594 119.723 119.070 0.098 0.000 2.326 146 H HA -0.016 4.541 4.556 0.003 0.000 0.301 146 H C 2.425 177.810 175.328 0.094 0.000 1.081 146 H CA 0.614 56.743 56.048 0.136 0.000 1.334 146 H CB -0.020 29.785 29.762 0.071 0.000 1.385 146 H HN 0.391 nan 8.280 nan 0.000 0.504 147 G N 0.854 109.769 108.800 0.192 0.000 2.433 147 G HA2 -0.276 3.686 3.960 0.003 0.000 0.216 147 G HA3 -0.276 3.686 3.960 0.003 0.000 0.216 147 G C 1.098 176.063 174.900 0.108 0.000 1.186 147 G CA 1.137 46.311 45.100 0.123 0.000 0.779 147 G HN 0.281 nan 8.290 nan 0.000 0.543 148 D N -0.028 120.429 120.400 0.095 0.000 2.126 148 D HA -0.149 4.492 4.640 0.003 0.000 0.190 148 D C 2.334 178.723 176.300 0.149 0.000 1.001 148 D CA 1.009 55.066 54.000 0.096 0.000 0.841 148 D CB -0.378 40.469 40.800 0.078 0.000 0.949 148 D HN 0.218 nan 8.370 nan 0.000 0.446 149 L N 0.142 121.491 121.223 0.209 0.000 2.027 149 L HA -0.063 4.279 4.340 0.003 0.000 0.206 149 L C 2.057 179.049 176.870 0.204 0.000 1.074 149 L CA 1.484 56.463 54.840 0.233 0.000 0.745 149 L CB -0.542 41.681 42.059 0.274 0.000 0.898 149 L HN 0.085 nan 8.230 nan 0.000 0.433 150 L N -0.261 121.063 121.223 0.168 0.000 2.093 150 L HA -0.166 4.176 4.340 0.003 0.000 0.208 150 L C 2.494 179.491 176.870 0.212 0.000 1.085 150 L CA 1.158 56.108 54.840 0.185 0.000 0.755 150 L CB -0.855 41.280 42.059 0.127 0.000 0.904 150 L HN 0.468 nan 8.230 nan 0.000 0.435 151 N N 1.080 119.870 118.700 0.150 0.000 2.025 151 N HA -0.231 4.510 4.740 0.003 0.000 0.194 151 N C 1.813 177.421 175.510 0.162 0.000 1.044 151 N CA 1.808 54.929 53.050 0.119 0.000 0.851 151 N CB 0.066 38.593 38.487 0.067 0.000 1.036 151 N HN 0.134 nan 8.380 nan 0.000 0.422 152 K N -0.324 120.177 120.400 0.169 0.000 2.097 152 K HA -0.148 4.174 4.320 0.003 0.000 0.206 152 K C 2.027 178.777 176.600 0.250 0.000 1.049 152 K CA 1.039 57.450 56.287 0.207 0.000 0.933 152 K CB -0.609 32.001 32.500 0.183 0.000 0.717 152 K HN 0.314 nan 8.250 nan 0.000 0.442 153 Y N 1.008 121.412 120.300 0.173 0.000 2.097 153 Y HA -0.217 4.335 4.550 0.003 0.000 0.282 153 Y C 1.569 177.577 175.900 0.180 0.000 1.152 153 Y CA 1.609 59.809 58.100 0.167 0.000 1.136 153 Y CB -0.251 38.294 38.460 0.141 0.000 0.975 153 Y HN -0.061 nan 8.280 nan 0.000 0.498 154 L N -1.163 120.078 121.223 0.030 0.000 2.093 154 L HA -0.218 4.124 4.340 0.003 0.000 0.208 154 L C 2.354 179.174 176.870 -0.083 0.000 1.085 154 L CA 1.599 56.418 54.840 -0.035 0.000 0.755 154 L CB -0.892 41.240 42.059 0.123 0.000 0.904 154 L HN 0.340 nan 8.230 nan 0.000 0.435 155 Y N 0.886 121.137 120.300 -0.083 0.000 2.097 155 Y HA -0.284 4.268 4.550 0.003 0.000 0.282 155 Y C 2.308 178.154 175.900 -0.090 0.000 1.152 155 Y CA 1.717 59.783 58.100 -0.057 0.000 1.136 155 Y CB -0.294 38.162 38.460 -0.007 0.000 0.975 155 Y HN -0.013 nan 8.280 nan 0.000 0.498 156 L N 0.100 121.244 121.223 -0.132 0.000 2.201 156 L HA -0.182 4.160 4.340 0.003 0.000 0.212 156 L C 2.710 179.399 176.870 -0.301 0.000 1.105 156 L CA 1.353 56.062 54.840 -0.219 0.000 0.775 156 L CB -0.812 41.224 42.059 -0.038 0.000 0.913 156 L HN 0.421 nan 8.230 nan 0.000 0.440 157 S N -0.211 115.262 115.700 -0.379 0.000 2.402 157 S HA -0.091 4.381 4.470 0.003 0.000 0.229 157 S C 1.799 176.235 174.600 -0.273 0.000 1.021 157 S CA 0.862 58.852 58.200 -0.349 0.000 0.974 157 S CB -0.391 62.546 63.200 -0.439 0.000 0.800 157 S HN 0.545 nan 8.310 nan 0.000 0.484 158 G N 1.278 109.910 108.800 -0.279 0.000 2.168 158 G HA2 -0.260 3.701 3.960 0.003 0.000 0.263 158 G HA3 -0.260 3.701 3.960 0.003 0.000 0.263 158 G C 0.925 175.726 174.900 -0.164 0.000 0.977 158 G CA 0.436 45.414 45.100 -0.203 0.000 0.659 158 G HN 0.489 nan 8.290 nan 0.000 0.533 159 R N -0.491 119.823 120.500 -0.310 0.000 2.312 159 R HA 0.346 4.688 4.340 0.003 0.000 0.205 159 R C 1.074 177.217 176.300 -0.261 0.000 0.904 159 R CA 1.159 57.012 56.100 -0.411 0.000 1.052 159 R CB 0.418 30.086 30.300 -1.053 0.000 1.014 159 R HN 0.993 nan 8.270 nan 0.000 0.503 160 V N -2.310 117.507 119.914 -0.162 0.000 3.102 160 V HA 0.447 4.568 4.120 0.003 0.000 0.312 160 V C -0.761 175.208 176.094 -0.210 0.000 1.135 160 V CA -1.265 60.950 62.300 -0.141 0.000 1.022 160 V CB 2.729 34.477 31.823 -0.124 0.000 1.056 160 V HN -0.199 nan 8.190 nan 0.000 0.436 161 D N 2.901 122.954 120.400 -0.577 0.000 2.494 161 D HA 0.292 4.933 4.640 0.003 0.000 0.217 161 D C 1.100 177.265 176.300 -0.226 0.000 1.153 161 D CA -0.379 53.159 54.000 -0.770 0.000 0.954 161 D CB 1.008 41.075 40.800 -1.222 0.000 1.034 161 D HN 0.520 nan 8.370 nan 0.000 0.518 162 M N 2.207 121.768 119.600 -0.064 0.000 2.149 162 M HA -0.143 4.339 4.480 0.003 0.000 0.261 162 M C 1.991 178.301 176.300 0.016 0.000 1.064 162 M CA 1.127 56.436 55.300 0.014 0.000 1.102 162 M CB -0.693 31.985 32.600 0.129 0.000 1.369 162 M HN 0.426 nan 8.290 nan 0.000 0.408 163 R N 0.013 120.530 120.500 0.028 0.000 2.091 163 R HA -0.176 4.165 4.340 0.003 0.000 0.238 163 R C 2.226 178.542 176.300 0.027 0.000 1.136 163 R CA 1.375 57.494 56.100 0.032 0.000 0.959 163 R CB 0.038 30.369 30.300 0.051 0.000 0.856 163 R HN 0.333 nan 8.270 nan 0.000 0.437 164 Q N 0.339 120.152 119.800 0.023 0.000 2.119 164 Q HA -0.096 4.246 4.340 0.003 0.000 0.201 164 Q C 2.164 178.259 176.000 0.159 0.000 0.972 164 Q CA 1.256 57.112 55.803 0.088 0.000 0.847 164 Q CB -0.065 28.724 28.738 0.085 0.000 0.903 164 Q HN 0.468 nan 8.270 nan 0.000 0.433 165 I N 0.562 121.173 120.570 0.069 0.000 2.179 165 I HA -0.269 3.903 4.170 0.003 0.000 0.242 165 I C 2.052 178.157 176.117 -0.021 0.000 1.088 165 I CA 1.156 62.421 61.300 -0.059 0.000 1.357 165 I CB -0.185 37.705 38.000 -0.184 0.000 1.051 165 I HN 0.214 nan 8.210 nan 0.000 0.409 166 E N 0.702 120.899 120.200 -0.004 0.000 2.077 166 E HA -0.278 4.074 4.350 0.003 0.000 0.193 166 E C 2.133 178.736 176.600 0.005 0.000 0.989 166 E CA 1.220 57.616 56.400 -0.006 0.000 0.800 166 E CB -0.032 29.663 29.700 -0.008 0.000 0.746 166 E HN 0.291 nan 8.360 nan 0.000 0.452 167 K N 0.112 120.528 120.400 0.027 0.000 2.063 167 K HA -0.139 4.183 4.320 0.003 0.000 0.208 167 K C 2.103 178.798 176.600 0.157 0.000 1.048 167 K CA 1.766 58.069 56.287 0.026 0.000 0.928 167 K CB -0.017 32.521 32.500 0.063 0.000 0.713 167 K HN 0.036 nan 8.250 nan 0.000 0.442 168 T N 1.068 115.768 114.554 0.244 0.000 2.746 168 T HA -0.107 4.245 4.350 0.003 0.000 0.267 168 T C 1.783 176.627 174.700 0.241 0.000 1.039 168 T CA 1.481 63.789 62.100 0.347 0.000 1.142 168 T CB -0.188 68.934 68.868 0.423 0.000 0.866 168 T HN 0.161 nan 8.240 nan 0.000 0.444 169 I N 0.932 121.567 120.570 0.108 0.000 2.179 169 I HA -0.221 3.950 4.170 0.003 0.000 0.242 169 I C 2.895 179.046 176.117 0.056 0.000 1.088 169 I CA 1.370 62.706 61.300 0.059 0.000 1.357 169 I CB -0.420 37.581 38.000 0.001 0.000 1.051 169 I HN 0.270 nan 8.210 nan 0.000 0.409 170 Q N 0.107 119.915 119.800 0.013 0.000 2.096 170 Q HA -0.245 4.096 4.340 0.003 0.000 0.204 170 Q C 2.298 178.295 176.000 -0.006 0.000 0.982 170 Q CA 1.904 57.679 55.803 -0.046 0.000 0.850 170 Q CB -0.092 28.560 28.738 -0.144 0.000 0.901 170 Q HN 0.454 nan 8.270 nan 0.000 0.422 171 Y N -0.102 120.249 120.300 0.085 0.000 2.181 171 Y HA -0.239 4.313 4.550 0.003 0.000 0.288 171 Y C 2.023 177.984 175.900 0.102 0.000 1.146 171 Y CA 1.105 59.282 58.100 0.128 0.000 1.164 171 Y CB -0.378 38.218 38.460 0.227 0.000 0.982 171 Y HN 0.218 nan 8.280 nan 0.000 0.515 172 L N 0.013 121.395 121.223 0.264 0.000 2.056 172 L HA -0.168 4.174 4.340 0.003 0.000 0.207 172 L C 2.031 178.963 176.870 0.104 0.000 1.078 172 L CA 1.645 56.592 54.840 0.178 0.000 0.749 172 L CB -0.797 41.359 42.059 0.163 0.000 0.901 172 L HN 0.203 nan 8.230 nan 0.000 0.433 173 I N -0.824 119.785 120.570 0.064 0.000 2.315 173 I HA -0.180 3.992 4.170 0.003 0.000 0.248 173 I C 2.409 178.544 176.117 0.030 0.000 1.117 173 I CA 1.158 62.467 61.300 0.015 0.000 1.404 173 I CB -1.026 36.965 38.000 -0.015 0.000 1.071 173 I HN 0.395 nan 8.210 nan 0.000 0.419 174 G N -0.112 108.721 108.800 0.055 0.000 2.422 174 G HA2 -0.182 3.780 3.960 0.003 0.000 0.218 174 G HA3 -0.182 3.780 3.960 0.003 0.000 0.218 174 G C 1.744 176.686 174.900 0.069 0.000 1.140 174 G CA 0.817 45.952 45.100 0.059 0.000 0.775 174 G HN 0.350 nan 8.290 nan 0.000 0.545 175 S N -0.087 115.667 115.700 0.090 0.000 2.425 175 S HA 0.312 4.783 4.470 0.003 0.000 0.225 175 S C 1.804 176.431 174.600 0.044 0.000 1.024 175 S CA 0.796 59.033 58.200 0.062 0.000 0.951 175 S CB -0.241 62.994 63.200 0.059 0.000 0.796 175 S HN 1.095 nan 8.310 nan 0.000 0.498 176 G N 1.714 110.545 108.800 0.052 0.000 2.566 176 G HA2 -0.277 3.685 3.960 0.003 0.000 0.280 176 G HA3 -0.277 3.685 3.960 0.003 0.000 0.280 176 G C -0.330 174.622 174.900 0.087 0.000 1.225 176 G CA 0.472 45.606 45.100 0.056 0.000 0.966 176 G HN 0.442 nan 8.290 nan 0.000 0.560 177 M N -0.052 119.607 119.600 0.098 0.000 2.415 177 M HA 0.362 4.844 4.480 0.003 0.000 0.292 177 M C -2.478 173.873 176.300 0.084 0.000 1.107 177 M CA -0.578 54.808 55.300 0.142 0.000 0.927 177 M CB 2.050 34.786 32.600 0.226 0.000 1.808 177 M HN 0.761 nan 8.290 nan 0.000 0.509 178 D N 6.062 126.514 120.400 0.087 0.000 2.472 178 D HA 0.471 5.113 4.640 0.003 0.000 0.234 178 D C -1.820 174.431 176.300 -0.083 0.000 1.088 178 D CA -1.557 52.439 54.000 -0.006 0.000 0.882 178 D CB 1.593 42.401 40.800 0.013 0.000 1.037 178 D HN 0.278 nan 8.370 nan 0.000 0.520 179 P HA -0.016 nan 4.420 nan 0.000 0.242 179 P C -0.220 176.836 177.300 -0.407 0.000 1.197 179 P CA 0.164 62.956 63.100 -0.513 0.000 0.765 179 P CB 0.246 31.270 31.700 -1.127 0.000 0.936 180 R N -1.313 119.032 120.500 -0.259 0.000 3.656 180 R HA -0.083 4.258 4.340 0.003 0.000 0.297 180 R C 0.714 176.895 176.300 -0.197 0.000 1.166 180 R CA 1.194 57.178 56.100 -0.194 0.000 0.799 180 R CB -3.308 26.887 30.300 -0.176 0.000 1.285 180 R HN 0.402 nan 8.270 nan 0.000 0.477 181 T N -2.398 112.007 114.554 -0.250 0.000 3.100 181 T HA 0.073 4.425 4.350 0.003 0.000 0.253 181 T C 0.604 175.183 174.700 -0.203 0.000 1.118 181 T CA 0.283 62.248 62.100 -0.225 0.000 1.058 181 T CB 0.021 68.716 68.868 -0.289 0.000 0.953 181 T HN 0.459 nan 8.240 nan 0.000 0.515 182 E N 1.530 121.609 120.200 -0.203 0.000 2.440 182 E HA -0.306 4.046 4.350 0.003 0.000 0.246 182 E C 0.009 176.459 176.600 -0.250 0.000 1.165 182 E CA 0.399 56.676 56.400 -0.205 0.000 0.726 182 E CB -2.513 27.096 29.700 -0.151 0.000 1.271 182 E HN 0.816 nan 8.360 nan 0.000 0.397 183 N N -1.481 117.050 118.700 -0.282 0.000 2.778 183 N HA -0.218 4.524 4.740 0.003 0.000 0.249 183 N C -0.380 174.994 175.510 -0.226 0.000 1.069 183 N CA 1.219 54.102 53.050 -0.278 0.000 0.831 183 N CB -0.715 37.528 38.487 -0.408 0.000 1.142 183 N HN 0.400 nan 8.380 nan 0.000 0.573 184 S N -0.085 115.482 115.700 -0.222 0.000 2.422 184 S HA 0.466 4.938 4.470 0.003 0.000 0.308 184 S C -1.598 172.817 174.600 -0.308 0.000 1.097 184 S CA -1.823 56.265 58.200 -0.187 0.000 1.099 184 S CB 1.289 64.436 63.200 -0.089 0.000 0.976 184 S HN -0.120 nan 8.310 nan 0.000 0.471 185 P HA -0.078 nan 4.420 nan 0.000 0.219 185 P C 0.538 177.558 177.300 -0.467 0.000 1.146 185 P CA 1.085 63.651 63.100 -0.890 0.000 0.808 185 P CB -0.067 30.751 31.700 -1.471 0.000 0.779 186 Y N -0.132 120.042 120.300 -0.211 0.000 2.049 186 Y HA -0.197 4.355 4.550 0.002 0.000 0.277 186 Y C 2.485 178.301 175.900 -0.139 0.000 1.143 186 Y CA 1.403 59.440 58.100 -0.105 0.000 1.115 186 Y CB -1.484 36.917 38.460 -0.099 0.000 0.975 186 Y HN -0.195 nan 8.280 nan 0.000 0.487 187 L N -1.014 120.234 121.223 0.041 0.000 2.012 187 L HA -0.211 4.131 4.340 0.003 0.000 0.210 187 L C 2.691 179.539 176.870 -0.037 0.000 1.073 187 L CA 1.438 56.276 54.840 -0.003 0.000 0.748 187 L CB -1.325 40.706 42.059 -0.048 0.000 0.891 187 L HN 0.374 nan 8.230 nan 0.000 0.431 188 G N -0.316 108.369 108.800 -0.192 0.000 2.418 188 G HA2 -0.250 3.712 3.960 0.003 0.000 0.217 188 G HA3 -0.250 3.712 3.960 0.003 0.000 0.217 188 G C 1.302 176.100 174.900 -0.170 0.000 1.158 188 G CA 0.493 45.431 45.100 -0.270 0.000 0.771 188 G HN 0.188 nan 8.290 nan 0.000 0.545 189 F N 0.541 120.429 119.950 -0.103 0.000 2.367 189 F HA 0.278 4.806 4.527 0.002 0.000 0.298 189 F C 2.468 178.260 175.800 -0.014 0.000 1.094 189 F CA -0.453 57.489 58.000 -0.096 0.000 1.409 189 F CB -0.303 38.674 39.000 -0.039 0.000 1.064 189 F HN 0.076 nan 8.300 nan 0.000 0.528 190 I N -1.461 119.200 120.570 0.152 0.000 2.252 190 I HA -0.329 3.842 4.170 0.003 0.000 0.245 190 I C 2.398 178.677 176.117 0.271 0.000 1.102 190 I CA 1.244 62.650 61.300 0.178 0.000 1.385 190 I CB -0.532 37.496 38.000 0.048 0.000 1.064 190 I HN 0.058 nan 8.210 nan 0.000 0.414 191 Y N 1.909 122.258 120.300 0.082 0.000 2.097 191 Y HA -0.361 4.191 4.550 0.002 0.000 0.282 191 Y C 2.921 178.871 175.900 0.083 0.000 1.152 191 Y CA 2.467 60.607 58.100 0.066 0.000 1.136 191 Y CB -0.570 37.873 38.460 -0.030 0.000 0.975 191 Y HN 0.297 nan 8.280 nan 0.000 0.498 192 T N -3.110 111.462 114.554 0.030 0.000 2.867 192 T HA -0.133 4.219 4.350 0.003 0.000 0.268 192 T C 2.056 176.723 174.700 -0.056 0.000 1.057 192 T CA 1.320 63.305 62.100 -0.192 0.000 1.136 192 T CB -0.783 67.647 68.868 -0.729 0.000 0.874 192 T HN 0.301 nan 8.240 nan 0.000 0.466 193 S N 1.167 116.931 115.700 0.107 0.000 2.359 193 S HA -0.025 4.446 4.470 0.003 0.000 0.224 193 S C 1.428 176.151 174.600 0.205 0.000 1.035 193 S CA 1.355 59.723 58.200 0.280 0.000 1.018 193 S CB -0.685 62.797 63.200 0.470 0.000 0.876 193 S HN 0.555 nan 8.310 nan 0.000 0.448 194 F N 2.564 122.544 119.950 0.051 0.000 2.075 194 F HA -0.146 4.383 4.527 0.002 0.000 0.297 194 F C 2.533 178.302 175.800 -0.053 0.000 1.113 194 F CA 1.489 59.485 58.000 -0.007 0.000 1.218 194 F CB -0.484 38.493 39.000 -0.039 0.000 0.984 194 F HN 0.074 nan 8.300 nan 0.000 0.472 195 Q N 0.561 120.443 119.800 0.137 0.000 2.084 195 Q HA -0.184 4.157 4.340 0.003 0.000 0.202 195 Q C 2.176 178.226 176.000 0.085 0.000 0.978 195 Q CA 1.599 57.432 55.803 0.049 0.000 0.844 195 Q CB -0.707 27.963 28.738 -0.113 0.000 0.898 195 Q HN 0.494 nan 8.270 nan 0.000 0.426 196 E N 0.533 120.831 120.200 0.165 0.000 2.058 196 E HA -0.192 4.160 4.350 0.003 0.000 0.194 196 E C 2.023 178.730 176.600 0.178 0.000 0.997 196 E CA 0.907 57.474 56.400 0.278 0.000 0.801 196 E CB -0.250 29.707 29.700 0.428 0.000 0.746 196 E HN 0.291 nan 8.360 nan 0.000 0.450 197 R N 0.459 120.995 120.500 0.060 0.000 2.096 197 R HA -0.094 4.248 4.340 0.003 0.000 0.235 197 R C 2.237 178.541 176.300 0.008 0.000 1.127 197 R CA 1.265 57.364 56.100 -0.002 0.000 0.968 197 R CB -0.145 30.065 30.300 -0.150 0.000 0.861 197 R HN 0.144 nan 8.270 nan 0.000 0.440 198 A N 0.110 122.865 122.820 -0.108 0.000 1.877 198 A HA -0.195 4.126 4.320 0.003 0.000 0.216 198 A C 2.217 179.739 177.584 -0.103 0.000 1.186 198 A CA 2.185 54.150 52.037 -0.121 0.000 0.620 198 A CB -1.121 17.772 19.000 -0.178 0.000 0.822 198 A HN 0.623 nan 8.150 nan 0.000 0.443 199 T N -3.267 111.274 114.554 -0.023 0.000 2.904 199 T HA -0.128 4.224 4.350 0.003 0.000 0.267 199 T C 1.683 176.424 174.700 0.068 0.000 1.059 199 T CA 1.364 63.448 62.100 -0.027 0.000 1.137 199 T CB -0.515 68.430 68.868 0.129 0.000 0.879 199 T HN 0.363 nan 8.240 nan 0.000 0.467 200 F N 2.189 122.147 119.950 0.014 0.000 2.069 200 F HA 0.032 4.560 4.527 0.003 0.000 0.298 200 F C 1.920 177.706 175.800 -0.023 0.000 1.113 200 F CA 0.856 58.859 58.000 0.005 0.000 1.214 200 F CB -0.602 38.378 39.000 -0.033 0.000 0.978 200 F HN 0.101 nan 8.300 nan 0.000 0.474 201 I N -0.535 119.914 120.570 -0.201 0.000 2.163 201 I HA -0.337 3.834 4.170 0.003 0.000 0.243 201 I C 2.765 178.767 176.117 -0.192 0.000 1.085 201 I CA 1.602 62.747 61.300 -0.259 0.000 1.347 201 I CB -0.889 37.100 38.000 -0.018 0.000 1.044 201 I HN 0.193 nan 8.210 nan 0.000 0.408 202 S N -0.271 115.352 115.700 -0.128 0.000 2.365 202 S HA -0.260 4.212 4.470 0.003 0.000 0.221 202 S C 2.144 176.616 174.600 -0.213 0.000 1.037 202 S CA 1.582 59.676 58.200 -0.177 0.000 1.060 202 S CB -0.376 62.632 63.200 -0.320 0.000 0.974 202 S HN 0.427 nan 8.310 nan 0.000 0.427 203 H N 0.068 119.052 119.070 -0.144 0.000 2.389 203 H HA 0.015 4.572 4.556 0.003 0.000 0.299 203 H C 2.378 177.567 175.328 -0.232 0.000 1.081 203 H CA 1.192 57.137 56.048 -0.172 0.000 1.345 203 H CB -1.003 28.659 29.762 -0.167 0.000 1.393 203 H HN 0.515 nan 8.280 nan 0.000 0.520 204 G N 1.045 109.705 108.800 -0.233 0.000 2.422 204 G HA2 -0.243 3.718 3.960 0.003 0.000 0.218 204 G HA3 -0.243 3.718 3.960 0.003 0.000 0.218 204 G C 1.728 176.489 174.900 -0.232 0.000 1.146 204 G CA 0.448 45.336 45.100 -0.352 0.000 0.769 204 G HN 0.346 nan 8.290 nan 0.000 0.547 205 N N 0.585 119.173 118.700 -0.187 0.000 2.171 205 N HA -0.102 4.640 4.740 0.003 0.000 0.184 205 N C 2.665 178.139 175.510 -0.061 0.000 1.021 205 N CA 1.837 54.816 53.050 -0.118 0.000 0.854 205 N CB -0.669 37.764 38.487 -0.090 0.000 0.994 205 N HN 0.476 nan 8.380 nan 0.000 0.426 206 T N -1.286 113.246 114.554 -0.038 0.000 2.867 206 T HA 0.077 4.429 4.350 0.003 0.000 0.268 206 T C 2.018 176.746 174.700 0.047 0.000 1.057 206 T CA 1.144 63.285 62.100 0.069 0.000 1.136 206 T CB -0.295 68.561 68.868 -0.020 0.000 0.874 206 T HN 0.134 nan 8.240 nan 0.000 0.466 207 A N 2.087 124.875 122.820 -0.053 0.000 1.858 207 A HA -0.041 4.280 4.320 0.003 0.000 0.216 207 A C 2.592 180.111 177.584 -0.107 0.000 1.190 207 A CA 1.666 53.642 52.037 -0.101 0.000 0.617 207 A CB -0.852 18.060 19.000 -0.146 0.000 0.827 207 A HN 0.501 nan 8.150 nan 0.000 0.443 208 R N -0.809 119.623 120.500 -0.112 0.000 2.105 208 R HA -0.179 4.163 4.340 0.003 0.000 0.239 208 R C 2.534 178.751 176.300 -0.138 0.000 1.135 208 R CA 1.906 57.937 56.100 -0.116 0.000 0.967 208 R CB -0.251 29.982 30.300 -0.113 0.000 0.861 208 R HN 0.719 nan 8.270 nan 0.000 0.442 209 Q N -0.835 118.884 119.800 -0.136 0.000 2.083 209 Q HA -0.068 4.274 4.340 0.003 0.000 0.198 209 Q C 2.165 177.929 176.000 -0.394 0.000 0.969 209 Q CA 1.327 56.987 55.803 -0.239 0.000 0.838 209 Q CB -0.039 28.619 28.738 -0.133 0.000 0.900 209 Q HN 0.359 nan 8.270 nan 0.000 0.436 210 A N 1.545 124.201 122.820 -0.273 0.000 1.908 210 A HA -0.209 4.113 4.320 0.003 0.000 0.218 210 A C 1.998 179.470 177.584 -0.186 0.000 1.181 210 A CA 1.329 53.213 52.037 -0.255 0.000 0.627 210 A CB -0.440 18.462 19.000 -0.163 0.000 0.818 210 A HN 0.093 nan 8.150 nan 0.000 0.445 211 K N -0.324 119.983 120.400 -0.155 0.000 2.442 211 K HA -0.135 4.187 4.320 0.003 0.000 0.199 211 K C 1.443 177.972 176.600 -0.118 0.000 1.044 211 K CA 1.423 57.641 56.287 -0.115 0.000 0.941 211 K CB -0.080 32.360 32.500 -0.100 0.000 0.759 211 K HN 0.710 nan 8.250 nan 0.000 0.472 212 E N -1.299 118.792 120.200 -0.180 0.000 2.244 212 E HA -0.018 4.334 4.350 0.003 0.000 0.196 212 E C 1.121 177.636 176.600 -0.141 0.000 0.939 212 E CA 0.014 56.309 56.400 -0.175 0.000 0.884 212 E CB 0.179 29.747 29.700 -0.220 0.000 0.850 212 E HN 0.325 nan 8.360 nan 0.000 0.481 213 H N 0.129 119.125 119.070 -0.125 0.000 2.568 213 H HA 0.052 4.609 4.556 0.003 0.000 0.275 213 H C 1.274 176.549 175.328 -0.089 0.000 1.028 213 H CA 0.976 56.952 56.048 -0.119 0.000 1.173 213 H CB -0.248 29.409 29.762 -0.175 0.000 1.335 213 H HN 0.358 nan 8.280 nan 0.000 0.614 214 G N 1.401 110.202 108.800 0.002 0.000 2.187 214 G HA2 -0.267 3.695 3.960 0.003 0.000 0.261 214 G HA3 -0.267 3.695 3.960 0.003 0.000 0.261 214 G C -0.218 174.676 174.900 -0.011 0.000 1.000 214 G CA 0.355 45.449 45.100 -0.010 0.000 0.718 214 G HN 0.447 nan 8.290 nan 0.000 0.519 215 D N 0.859 121.248 120.400 -0.019 0.000 2.517 215 D HA 0.262 4.904 4.640 0.003 0.000 0.220 215 D C 2.141 178.414 176.300 -0.046 0.000 1.158 215 D CA 0.173 54.158 54.000 -0.025 0.000 0.992 215 D CB -0.015 40.766 40.800 -0.033 0.000 1.058 215 D HN 0.587 nan 8.370 nan 0.000 0.516 216 I N -1.538 119.014 120.570 -0.029 0.000 2.252 216 I HA -0.240 3.932 4.170 0.003 0.000 0.245 216 I C 1.850 177.950 176.117 -0.028 0.000 1.102 216 I CA 0.743 62.024 61.300 -0.032 0.000 1.385 216 I CB -0.272 37.718 38.000 -0.017 0.000 1.064 216 I HN -0.090 nan 8.210 nan 0.000 0.414 217 K N 0.839 121.235 120.400 -0.006 0.000 2.063 217 K HA -0.152 4.169 4.320 0.003 0.000 0.208 217 K C 2.193 178.761 176.600 -0.053 0.000 1.048 217 K CA 1.619 57.915 56.287 0.014 0.000 0.928 217 K CB -0.317 32.215 32.500 0.052 0.000 0.713 217 K HN 0.278 nan 8.250 nan 0.000 0.442 218 L N 0.787 121.944 121.223 -0.109 0.000 2.156 218 L HA -0.012 4.330 4.340 0.003 0.000 0.208 218 L C 2.128 178.872 176.870 -0.210 0.000 1.095 218 L CA 1.423 56.121 54.840 -0.238 0.000 0.770 218 L CB -0.485 41.404 42.059 -0.283 0.000 0.914 218 L HN 0.078 nan 8.230 nan 0.000 0.439 219 A N -0.942 121.788 122.820 -0.151 0.000 1.908 219 A HA -0.281 4.041 4.320 0.003 0.000 0.218 219 A C 2.266 179.735 177.584 -0.192 0.000 1.181 219 A CA 1.923 53.870 52.037 -0.149 0.000 0.627 219 A CB -0.603 18.328 19.000 -0.114 0.000 0.818 219 A HN 0.617 nan 8.150 nan 0.000 0.445 220 Q N -0.589 119.110 119.800 -0.168 0.000 2.084 220 Q HA -0.109 4.233 4.340 0.003 0.000 0.202 220 Q C 1.998 177.673 176.000 -0.542 0.000 0.978 220 Q CA 1.589 57.265 55.803 -0.213 0.000 0.844 220 Q CB -0.281 28.470 28.738 0.022 0.000 0.898 220 Q HN 0.760 nan 8.270 nan 0.000 0.426 221 I N -0.404 119.869 120.570 -0.495 0.000 2.127 221 I HA -0.373 3.799 4.170 0.003 0.000 0.241 221 I C 2.225 177.971 176.117 -0.618 0.000 1.075 221 I CA 0.946 61.851 61.300 -0.658 0.000 1.334 221 I CB -0.273 37.481 38.000 -0.410 0.000 1.040 221 I HN 0.366 nan 8.210 nan 0.000 0.405 222 C N 0.649 119.700 119.300 -0.415 0.000 2.457 222 C HA -0.028 4.434 4.460 0.003 0.000 0.278 222 C C 2.928 177.700 174.990 -0.363 0.000 1.309 222 C CA 0.761 59.577 59.018 -0.337 0.000 1.735 222 C CB -1.694 25.944 27.740 -0.171 0.000 1.992 222 C HN 0.671 nan 8.230 nan 0.000 0.493 223 G N 0.705 109.295 108.800 -0.349 0.000 2.402 223 G HA2 -0.180 3.781 3.960 0.003 0.000 0.216 223 G HA3 -0.180 3.781 3.960 0.003 0.000 0.216 223 G C 1.650 176.335 174.900 -0.360 0.000 1.162 223 G CA 1.642 46.568 45.100 -0.290 0.000 0.777 223 G HN 0.513 nan 8.290 nan 0.000 0.539 224 T N 1.257 115.446 114.554 -0.608 0.000 2.867 224 T HA -0.001 4.350 4.350 0.003 0.000 0.268 224 T C 2.349 176.683 174.700 -0.611 0.000 1.057 224 T CA 0.806 62.444 62.100 -0.770 0.000 1.136 224 T CB -0.056 67.882 68.868 -1.551 0.000 0.874 224 T HN 0.259 nan 8.240 nan 0.000 0.466 225 I N 1.348 121.516 120.570 -0.670 0.000 2.233 225 I HA -0.093 4.079 4.170 0.003 0.000 0.243 225 I C 2.984 178.857 176.117 -0.408 0.000 1.093 225 I CA 0.918 61.817 61.300 -0.669 0.000 1.380 225 I CB -0.525 36.888 38.000 -0.977 0.000 1.067 225 I HN 0.176 nan 8.210 nan 0.000 0.413 226 A N 0.959 123.618 122.820 -0.268 0.000 1.917 226 A HA -0.266 4.055 4.320 0.003 0.000 0.219 226 A C 2.518 180.200 177.584 0.163 0.000 1.182 226 A CA 2.230 54.273 52.037 0.009 0.000 0.633 226 A CB -0.951 18.007 19.000 -0.069 0.000 0.819 226 A HN 0.455 nan 8.150 nan 0.000 0.448 227 A N -0.393 122.457 122.820 0.051 0.000 1.972 227 A HA -0.154 4.167 4.320 0.003 0.000 0.219 227 A C 1.749 179.365 177.584 0.053 0.000 1.169 227 A CA 1.885 53.972 52.037 0.083 0.000 0.635 227 A CB -0.580 18.446 19.000 0.043 0.000 0.810 227 A HN 0.465 nan 8.150 nan 0.000 0.446 228 D N 0.106 120.540 120.400 0.056 0.000 2.123 228 D HA -0.134 4.508 4.640 0.003 0.000 0.196 228 D C 1.936 178.039 176.300 -0.327 0.000 0.992 228 D CA 1.383 55.368 54.000 -0.025 0.000 0.833 228 D CB -0.209 40.724 40.800 0.221 0.000 0.954 228 D HN 0.486 nan 8.370 nan 0.000 0.455 229 E N 0.519 120.668 120.200 -0.085 0.000 2.150 229 E HA -0.172 4.180 4.350 0.003 0.000 0.193 229 E C 1.969 178.589 176.600 0.034 0.000 0.985 229 E CA 0.655 57.083 56.400 0.046 0.000 0.814 229 E CB -0.185 29.682 29.700 0.278 0.000 0.752 229 E HN 0.227 nan 8.360 nan 0.000 0.466 230 K N 1.533 121.895 120.400 -0.063 0.000 2.057 230 K HA -0.108 4.214 4.320 0.003 0.000 0.207 230 K C 2.186 178.700 176.600 -0.142 0.000 1.049 230 K CA 1.168 57.272 56.287 -0.306 0.000 0.931 230 K CB 0.003 32.228 32.500 -0.459 0.000 0.714 230 K HN -0.073 nan 8.250 nan 0.000 0.440 231 R N -0.949 119.519 120.500 -0.054 0.000 2.081 231 R HA -0.097 4.245 4.340 0.003 0.000 0.235 231 R C 2.304 178.721 176.300 0.195 0.000 1.131 231 R CA 2.033 58.163 56.100 0.051 0.000 0.960 231 R CB -0.424 29.957 30.300 0.135 0.000 0.856 231 R HN 0.531 nan 8.270 nan 0.000 0.436 232 H N -0.559 118.670 119.070 0.266 0.000 2.321 232 H HA -0.127 4.430 4.556 0.003 0.000 0.300 232 H C 2.112 177.621 175.328 0.301 0.000 1.087 232 H CA 1.086 57.393 56.048 0.433 0.000 1.319 232 H CB 0.058 30.239 29.762 0.698 0.000 1.379 232 H HN 0.320 nan 8.280 nan 0.000 0.501 233 E N 0.803 121.207 120.200 0.340 0.000 2.058 233 E HA -0.180 4.171 4.350 0.003 0.000 0.194 233 E C 1.864 178.518 176.600 0.089 0.000 0.997 233 E CA 1.768 58.299 56.400 0.219 0.000 0.801 233 E CB 0.061 29.791 29.700 0.051 0.000 0.746 233 E HN 0.372 nan 8.360 nan 0.000 0.450 234 T N 0.812 115.326 114.554 -0.067 0.000 2.684 234 T HA -0.177 4.175 4.350 0.003 0.000 0.267 234 T C 1.881 176.385 174.700 -0.326 0.000 1.036 234 T CA 1.599 63.564 62.100 -0.226 0.000 1.148 234 T CB -0.366 68.259 68.868 -0.405 0.000 0.863 234 T HN 0.367 nan 8.240 nan 0.000 0.436 235 A N 0.339 122.919 122.820 -0.400 0.000 1.902 235 A HA -0.070 4.252 4.320 0.003 0.000 0.217 235 A C 2.073 179.446 177.584 -0.353 0.000 1.181 235 A CA 1.382 53.164 52.037 -0.426 0.000 0.623 235 A CB -0.917 17.759 19.000 -0.539 0.000 0.818 235 A HN 0.539 nan 8.150 nan 0.000 0.443 236 Y N 0.956 121.204 120.300 -0.087 0.000 2.286 236 Y HA -0.116 4.436 4.550 0.002 0.000 0.293 236 Y C 3.082 179.059 175.900 0.130 0.000 1.124 236 Y CA 1.522 59.596 58.100 -0.044 0.000 1.178 236 Y CB -0.982 37.534 38.460 0.094 0.000 1.010 236 Y HN 0.503 nan 8.280 nan 0.000 0.536 237 T N -2.339 112.427 114.554 0.354 0.000 2.915 237 T HA -0.162 4.190 4.350 0.003 0.000 0.269 237 T C 1.853 176.839 174.700 0.476 0.000 1.071 237 T CA 1.378 63.789 62.100 0.518 0.000 1.132 237 T CB -0.172 68.839 68.868 0.238 0.000 0.878 237 T HN 0.134 nan 8.240 nan 0.000 0.479 238 K N 0.559 121.106 120.400 0.246 0.000 2.155 238 K HA 0.220 4.542 4.320 0.003 0.000 0.203 238 K C 2.100 178.894 176.600 0.324 0.000 1.052 238 K CA 0.832 57.273 56.287 0.257 0.000 0.948 238 K CB -0.303 32.298 32.500 0.169 0.000 0.728 238 K HN 0.399 nan 8.250 nan 0.000 0.448 239 I N -0.005 120.693 120.570 0.214 0.000 2.202 239 I HA -0.267 3.905 4.170 0.003 0.000 0.242 239 I C 1.894 178.019 176.117 0.015 0.000 1.091 239 I CA 0.948 62.341 61.300 0.154 0.000 1.368 239 I CB -0.140 37.800 38.000 -0.101 0.000 1.058 239 I HN -0.071 nan 8.210 nan 0.000 0.410 240 V N 0.492 120.410 119.914 0.008 0.000 2.407 240 V HA -0.269 3.853 4.120 0.003 0.000 0.248 240 V C 2.453 178.404 176.094 -0.239 0.000 1.055 240 V CA 1.798 63.921 62.300 -0.295 0.000 1.049 240 V CB -0.759 30.666 31.823 -0.664 0.000 0.662 240 V HN 0.481 nan 8.190 nan 0.000 0.455 241 E N 0.415 120.671 120.200 0.092 0.000 2.070 241 E HA -0.293 4.059 4.350 0.003 0.000 0.197 241 E C 2.322 178.979 176.600 0.095 0.000 1.004 241 E CA 1.408 57.946 56.400 0.229 0.000 0.805 241 E CB -0.068 29.825 29.700 0.322 0.000 0.744 241 E HN 0.378 nan 8.360 nan 0.000 0.451 242 K N 0.424 120.809 120.400 -0.024 0.000 2.148 242 K HA -0.083 4.239 4.320 0.003 0.000 0.204 242 K C 2.290 178.712 176.600 -0.296 0.000 1.050 242 K CA 0.530 56.670 56.287 -0.246 0.000 0.942 242 K CB -0.203 31.871 32.500 -0.711 0.000 0.724 242 K HN 0.266 nan 8.250 nan 0.000 0.446 243 L N -0.522 120.508 121.223 -0.322 0.000 2.141 243 L HA -0.137 4.205 4.340 0.003 0.000 0.209 243 L C 2.141 178.840 176.870 -0.286 0.000 1.094 243 L CA 0.861 55.459 54.840 -0.403 0.000 0.763 243 L CB -0.358 41.351 42.059 -0.583 0.000 0.908 243 L HN 0.022 nan 8.230 nan 0.000 0.437 244 F N 0.372 120.210 119.950 -0.186 0.000 2.259 244 F HA -0.147 4.382 4.527 0.002 0.000 0.298 244 F C 2.483 178.239 175.800 -0.073 0.000 1.088 244 F CA 1.064 58.999 58.000 -0.108 0.000 1.358 244 F CB -0.216 38.717 39.000 -0.111 0.000 1.040 244 F HN 0.059 nan 8.300 nan 0.000 0.505 245 E N 0.438 120.681 120.200 0.072 0.000 2.007 245 E HA -0.185 4.167 4.350 0.003 0.000 0.194 245 E C 2.267 178.847 176.600 -0.034 0.000 0.999 245 E CA 1.612 58.017 56.400 0.009 0.000 0.811 245 E CB -0.221 29.451 29.700 -0.046 0.000 0.762 245 E HN 0.302 nan 8.360 nan 0.000 0.450 246 I N 0.102 120.608 120.570 -0.106 0.000 2.286 246 I HA -0.153 4.019 4.170 0.003 0.000 0.245 246 I C 0.839 176.918 176.117 -0.063 0.000 1.104 246 I CA 0.813 62.045 61.300 -0.114 0.000 1.397 246 I CB 0.194 38.073 38.000 -0.201 0.000 1.072 246 I HN 0.060 nan 8.210 nan 0.000 0.417 247 D N -0.107 120.266 120.400 -0.044 0.000 2.552 247 D HA 0.172 4.814 4.640 0.003 0.000 0.285 247 D C -1.948 174.360 176.300 0.012 0.000 1.206 247 D CA -2.019 51.981 54.000 0.001 0.000 0.826 247 D CB 0.821 41.659 40.800 0.063 0.000 1.179 247 D HN -0.112 nan 8.370 nan 0.000 0.508 248 P HA -0.081 nan 4.420 nan 0.000 0.217 248 P C 1.111 178.483 177.300 0.118 0.000 1.150 248 P CA 0.663 63.857 63.100 0.157 0.000 0.832 248 P CB 0.523 32.314 31.700 0.151 0.000 0.787 249 D N -0.439 119.990 120.400 0.047 0.000 2.078 249 D HA -0.101 4.540 4.640 0.003 0.000 0.193 249 D C 2.267 178.547 176.300 -0.033 0.000 0.990 249 D CA 1.777 55.788 54.000 0.019 0.000 0.827 249 D CB -0.754 40.041 40.800 -0.008 0.000 0.975 249 D HN 0.076 nan 8.370 nan 0.000 0.451 250 G N -0.329 108.404 108.800 -0.110 0.000 2.422 250 G HA2 -0.225 3.737 3.960 0.003 0.000 0.218 250 G HA3 -0.225 3.737 3.960 0.003 0.000 0.218 250 G C 1.654 176.399 174.900 -0.259 0.000 1.146 250 G CA 1.516 46.458 45.100 -0.264 0.000 0.769 250 G HN 0.264 nan 8.290 nan 0.000 0.547 251 T N 0.721 115.174 114.554 -0.168 0.000 2.857 251 T HA -0.046 4.305 4.350 0.003 0.000 0.266 251 T C 2.535 177.090 174.700 -0.241 0.000 1.048 251 T CA 1.027 62.930 62.100 -0.329 0.000 1.139 251 T CB -0.094 68.185 68.868 -0.982 0.000 0.874 251 T HN 0.085 nan 8.240 nan 0.000 0.455 252 V N 1.476 121.426 119.914 0.060 0.000 2.358 252 V HA -0.051 4.071 4.120 0.003 0.000 0.246 252 V C 2.451 178.665 176.094 0.201 0.000 1.047 252 V CA 1.283 63.784 62.300 0.335 0.000 1.035 252 V CB -0.658 31.368 31.823 0.338 0.000 0.658 252 V HN 0.412 nan 8.190 nan 0.000 0.452 253 L N 0.065 121.331 121.223 0.071 0.000 2.131 253 L HA -0.134 4.208 4.340 0.003 0.000 0.210 253 L C 2.641 179.524 176.870 0.023 0.000 1.092 253 L CA 1.428 56.281 54.840 0.021 0.000 0.759 253 L CB -0.620 41.411 42.059 -0.047 0.000 0.903 253 L HN 0.367 nan 8.230 nan 0.000 0.435 254 A N -0.587 122.238 122.820 0.009 0.000 1.897 254 A HA -0.207 4.114 4.320 0.003 0.000 0.215 254 A C 2.155 179.854 177.584 0.192 0.000 1.181 254 A CA 0.931 52.992 52.037 0.040 0.000 0.620 254 A CB -0.632 18.373 19.000 0.009 0.000 0.821 254 A HN 0.344 nan 8.150 nan 0.000 0.443 255 F N 1.306 121.289 119.950 0.055 0.000 2.102 255 F HA -0.094 4.434 4.527 0.002 0.000 0.298 255 F C 2.594 178.507 175.800 0.188 0.000 1.105 255 F CA 0.798 58.895 58.000 0.162 0.000 1.239 255 F CB -1.044 38.127 39.000 0.285 0.000 0.991 255 F HN 0.271 nan 8.300 nan 0.000 0.474 256 A N -0.162 122.804 122.820 0.243 0.000 1.902 256 A HA -0.260 4.062 4.320 0.003 0.000 0.217 256 A C 2.009 179.669 177.584 0.128 0.000 1.181 256 A CA 1.991 54.130 52.037 0.169 0.000 0.623 256 A CB -1.268 17.821 19.000 0.147 0.000 0.818 256 A HN 0.438 nan 8.150 nan 0.000 0.443 257 D N -0.947 119.502 120.400 0.082 0.000 2.123 257 D HA -0.183 4.459 4.640 0.003 0.000 0.196 257 D C 1.916 178.254 176.300 0.062 0.000 0.992 257 D CA 1.687 55.704 54.000 0.028 0.000 0.833 257 D CB -0.138 40.662 40.800 0.001 0.000 0.954 257 D HN 0.254 nan 8.370 nan 0.000 0.455 258 M N -0.346 119.333 119.600 0.131 0.000 2.229 258 M HA -0.070 4.411 4.480 0.003 0.000 0.264 258 M C 1.989 178.375 176.300 0.144 0.000 1.063 258 M CA 0.910 56.296 55.300 0.145 0.000 1.114 258 M CB -0.707 32.035 32.600 0.236 0.000 1.387 258 M HN 0.260 nan 8.290 nan 0.000 0.420 259 M N -1.140 118.567 119.600 0.178 0.000 2.123 259 M HA -0.129 4.353 4.480 0.003 0.000 0.263 259 M C 2.209 178.637 176.300 0.214 0.000 1.069 259 M CA 1.370 56.778 55.300 0.180 0.000 1.133 259 M CB -1.150 31.539 32.600 0.148 0.000 1.356 259 M HN 0.259 nan 8.290 nan 0.000 0.415 260 R N 0.865 121.494 120.500 0.214 0.000 2.081 260 R HA -0.130 4.211 4.340 0.003 0.000 0.235 260 R C 2.158 178.492 176.300 0.057 0.000 1.131 260 R CA 1.477 57.655 56.100 0.130 0.000 0.960 260 R CB -0.012 30.256 30.300 -0.053 0.000 0.856 260 R HN 0.340 nan 8.270 nan 0.000 0.436 261 K N 0.431 120.839 120.400 0.014 0.000 2.211 261 K HA -0.063 4.259 4.320 0.003 0.000 0.203 261 K C -0.201 176.380 176.600 -0.033 0.000 1.050 261 K CA 0.721 56.973 56.287 -0.058 0.000 0.945 261 K CB 0.003 32.445 32.500 -0.096 0.000 0.732 261 K HN 0.067 nan 8.250 nan 0.000 0.451 262 K N 0.511 120.939 120.400 0.047 0.000 6.984 262 K HA -0.130 4.191 4.320 0.003 0.000 0.664 262 K C -0.721 175.912 176.600 0.055 0.000 2.558 262 K CA 0.079 56.418 56.287 0.086 0.000 1.934 262 K CB -0.300 32.225 32.500 0.042 0.000 2.338 262 K HN 0.048 nan 8.250 nan 0.000 0.216 263 I N 3.518 124.139 120.570 0.085 0.000 2.483 263 I HA -0.034 4.137 4.170 0.003 0.000 0.291 263 I C 1.187 177.338 176.117 0.057 0.000 1.112 263 I CA 0.403 61.697 61.300 -0.010 0.000 1.350 263 I CB -0.322 37.375 38.000 -0.504 0.000 1.419 263 I HN 0.568 nan 8.210 nan 0.000 0.523 264 S N 7.719 123.443 115.700 0.041 0.000 2.545 264 S HA 0.505 4.977 4.470 0.003 0.000 0.275 264 S C 0.099 174.693 174.600 -0.011 0.000 1.299 264 S CA -0.973 57.169 58.200 -0.097 0.000 1.048 264 S CB 1.591 64.573 63.200 -0.363 0.000 0.938 264 S HN 0.393 nan 8.310 nan 0.000 0.496 265 M N 2.781 122.350 119.600 -0.051 0.000 2.242 265 M HA 0.270 4.751 4.480 0.003 0.000 0.344 265 M C -1.730 174.612 176.300 0.069 0.000 1.140 265 M CA -2.518 52.823 55.300 0.069 0.000 1.160 265 M CB -0.248 32.481 32.600 0.215 0.000 1.491 265 M HN 0.382 nan 8.290 nan 0.000 0.459 266 P HA -0.084 nan 4.420 nan 0.000 0.218 266 P C 0.518 177.999 177.300 0.301 0.000 1.148 266 P CA 1.482 64.741 63.100 0.265 0.000 0.822 266 P CB 0.196 31.960 31.700 0.106 0.000 0.784 267 A N -0.506 122.438 122.820 0.207 0.000 2.507 267 A HA 0.037 4.359 4.320 0.003 0.000 0.270 267 A C 1.578 179.115 177.584 -0.077 0.000 1.318 267 A CA -0.201 51.954 52.037 0.197 0.000 0.924 267 A CB -1.298 17.915 19.000 0.356 0.000 1.061 267 A HN 0.295 nan 8.150 nan 0.000 0.516 268 H N -0.230 118.514 119.070 -0.543 0.000 2.521 268 H HA 0.041 4.599 4.556 0.003 0.000 0.286 268 H C 0.863 176.085 175.328 -0.177 0.000 1.034 268 H CA 1.012 56.553 56.048 -0.845 0.000 1.278 268 H CB -0.343 29.000 29.762 -0.697 0.000 1.386 268 H HN 0.465 nan 8.280 nan 0.000 0.567 269 L N 0.695 121.653 121.223 -0.442 0.000 2.629 269 L HA 0.180 4.521 4.340 0.003 0.000 0.230 269 L C 0.863 177.745 176.870 0.021 0.000 1.151 269 L CA -0.309 54.373 54.840 -0.263 0.000 0.924 269 L CB -0.296 41.595 42.059 -0.280 0.000 1.137 269 L HN 0.091 nan 8.230 nan 0.000 0.457 270 M N 0.672 120.363 119.600 0.153 0.000 2.243 270 M HA -0.153 4.329 4.480 0.003 0.000 0.365 270 M C -0.782 175.695 176.300 0.295 0.000 1.327 270 M CA 1.266 56.743 55.300 0.294 0.000 0.918 270 M CB 0.047 32.919 32.600 0.452 0.000 1.894 270 M HN 0.036 nan 8.290 nan 0.000 0.473 271 Y N 3.271 123.632 120.300 0.101 0.000 2.480 271 Y HA 0.218 4.770 4.550 0.003 0.000 0.329 271 Y C -0.728 175.174 175.900 0.004 0.000 1.127 271 Y CA -1.432 56.629 58.100 -0.065 0.000 1.037 271 Y CB 1.147 39.426 38.460 -0.301 0.000 1.320 271 Y HN 0.737 nan 8.280 nan 0.000 0.446 272 D N 2.015 122.109 120.400 -0.509 0.000 2.535 272 D HA 0.285 4.926 4.640 0.003 0.000 0.229 272 D C 1.322 177.380 176.300 -0.403 0.000 1.238 272 D CA 0.348 54.218 54.000 -0.216 0.000 0.824 272 D CB 0.359 41.140 40.800 -0.031 0.000 1.045 272 D HN 1.107 nan 8.370 nan 0.000 0.500 273 G N 0.891 108.946 108.800 -1.242 0.000 2.179 273 G HA2 -0.366 3.596 3.960 0.003 0.000 0.260 273 G HA3 -0.366 3.596 3.960 0.003 0.000 0.260 273 G C 1.185 175.982 174.900 -0.173 0.000 0.977 273 G CA 0.466 45.245 45.100 -0.534 0.000 0.641 273 G HN 0.458 nan 8.290 nan 0.000 0.533 274 R N -0.990 119.314 120.500 -0.326 0.000 2.622 274 R HA 0.160 4.502 4.340 0.003 0.000 0.180 274 R C -0.390 175.855 176.300 -0.092 0.000 0.813 274 R CA 0.194 56.226 56.100 -0.114 0.000 1.049 274 R CB 0.381 30.626 30.300 -0.092 0.000 1.438 274 R HN 0.256 nan 8.270 nan 0.000 0.636 275 D N 1.073 121.392 120.400 -0.135 0.000 2.392 275 D HA 0.090 4.732 4.640 0.003 0.000 0.228 275 D C -0.189 176.155 176.300 0.074 0.000 1.074 275 D CA -0.171 53.798 54.000 -0.051 0.000 0.838 275 D CB 1.370 42.090 40.800 -0.133 0.000 1.067 275 D HN -0.078 nan 8.370 nan 0.000 0.511 276 D N 2.717 123.174 120.400 0.094 0.000 2.347 276 D HA -0.041 4.601 4.640 0.003 0.000 0.215 276 D C -0.063 176.242 176.300 0.010 0.000 0.976 276 D CA 0.601 54.656 54.000 0.091 0.000 0.884 276 D CB 0.080 40.896 40.800 0.025 0.000 0.915 276 D HN 0.447 nan 8.370 nan 0.000 0.526 277 N N 0.067 118.721 118.700 -0.077 0.000 2.599 277 N HA 0.089 4.831 4.740 0.003 0.000 0.309 277 N C 0.840 176.150 175.510 -0.335 0.000 1.743 277 N CA -0.134 52.772 53.050 -0.241 0.000 0.918 277 N CB 1.007 39.237 38.487 -0.427 0.000 1.339 277 N HN -0.123 nan 8.380 nan 0.000 0.493 278 L N 0.063 121.264 121.223 -0.037 0.000 2.046 278 L HA 0.058 4.399 4.340 0.003 0.000 0.208 278 L C 1.645 178.667 176.870 0.254 0.000 1.077 278 L CA 1.701 56.575 54.840 0.056 0.000 0.747 278 L CB -0.534 41.570 42.059 0.074 0.000 0.896 278 L HN 0.306 nan 8.230 nan 0.000 0.432 279 F N 0.584 120.655 119.950 0.201 0.000 2.095 279 F HA -0.247 4.281 4.527 0.003 0.000 0.298 279 F C 2.194 178.168 175.800 0.290 0.000 1.104 279 F CA 2.016 60.231 58.000 0.359 0.000 1.232 279 F CB -0.395 38.792 39.000 0.312 0.000 0.987 279 F HN 0.211 nan 8.300 nan 0.000 0.475 280 D N -0.921 119.546 120.400 0.112 0.000 2.117 280 D HA -0.183 4.459 4.640 0.003 0.000 0.197 280 D C 2.118 178.434 176.300 0.026 0.000 0.987 280 D CA 1.826 55.818 54.000 -0.013 0.000 0.829 280 D CB -0.591 40.180 40.800 -0.048 0.000 0.961 280 D HN 0.515 nan 8.370 nan 0.000 0.460 281 H N -1.125 118.007 119.070 0.104 0.000 2.333 281 H HA -0.052 4.505 4.556 0.003 0.000 0.302 281 H C 1.930 177.451 175.328 0.321 0.000 1.075 281 H CA 0.842 56.987 56.048 0.162 0.000 1.348 281 H CB -0.097 29.681 29.762 0.026 0.000 1.393 281 H HN 0.109 nan 8.280 nan 0.000 0.509 282 F N 1.776 121.922 119.950 0.327 0.000 2.102 282 F HA -0.210 4.319 4.527 0.003 0.000 0.298 282 F C 2.266 178.087 175.800 0.035 0.000 1.105 282 F CA 1.388 59.523 58.000 0.225 0.000 1.239 282 F CB -0.608 38.595 39.000 0.339 0.000 0.991 282 F HN -0.091 nan 8.300 nan 0.000 0.474 283 S N 0.876 116.200 115.700 -0.627 0.000 2.383 283 S HA -0.201 4.271 4.470 0.003 0.000 0.229 283 S C 2.354 176.769 174.600 -0.309 0.000 1.030 283 S CA 1.198 58.989 58.200 -0.682 0.000 1.002 283 S CB -1.003 61.832 63.200 -0.609 0.000 0.829 283 S HN 0.622 nan 8.310 nan 0.000 0.467 284 A N 1.036 123.782 122.820 -0.123 0.000 1.902 284 A HA -0.060 4.262 4.320 0.003 0.000 0.217 284 A C 2.335 179.898 177.584 -0.036 0.000 1.181 284 A CA 1.603 53.623 52.037 -0.029 0.000 0.623 284 A CB -0.831 18.212 19.000 0.072 0.000 0.818 284 A HN 0.363 nan 8.150 nan 0.000 0.443 285 V N -0.209 119.686 119.914 -0.032 0.000 2.307 285 V HA -0.207 3.915 4.120 0.003 0.000 0.245 285 V C 3.049 179.091 176.094 -0.086 0.000 1.045 285 V CA 1.807 64.086 62.300 -0.035 0.000 1.024 285 V CB -1.320 30.477 31.823 -0.043 0.000 0.651 285 V HN 0.603 nan 8.190 nan 0.000 0.449 286 A N 0.081 122.786 122.820 -0.191 0.000 1.940 286 A HA -0.332 3.989 4.320 0.003 0.000 0.219 286 A C 2.213 179.733 177.584 -0.105 0.000 1.176 286 A CA 2.387 54.315 52.037 -0.181 0.000 0.631 286 A CB -0.548 18.250 19.000 -0.337 0.000 0.814 286 A HN 0.616 nan 8.150 nan 0.000 0.446 287 Q N -0.087 119.646 119.800 -0.112 0.000 2.050 287 Q HA -0.146 4.195 4.340 0.003 0.000 0.202 287 Q C 2.207 178.173 176.000 -0.057 0.000 0.980 287 Q CA 2.108 57.859 55.803 -0.086 0.000 0.840 287 Q CB -0.347 28.341 28.738 -0.082 0.000 0.898 287 Q HN 0.605 nan 8.270 nan 0.000 0.424 288 R N -0.441 120.035 120.500 -0.039 0.000 2.115 288 R HA -0.005 4.336 4.340 0.003 0.000 0.230 288 R C 1.816 178.110 176.300 -0.010 0.000 1.111 288 R CA 1.167 57.257 56.100 -0.017 0.000 0.976 288 R CB -0.092 30.207 30.300 -0.000 0.000 0.870 288 R HN 0.393 nan 8.270 nan 0.000 0.445 289 L N -0.619 120.598 121.223 -0.011 0.000 2.558 289 L HA 0.161 4.503 4.340 0.003 0.000 0.225 289 L C 1.085 177.951 176.870 -0.007 0.000 1.128 289 L CA 0.555 55.400 54.840 0.008 0.000 0.868 289 L CB 0.239 42.318 42.059 0.032 0.000 1.006 289 L HN 0.508 nan 8.230 nan 0.000 0.454 290 G N -0.249 108.534 108.800 -0.028 0.000 2.160 290 G HA2 -0.263 3.698 3.960 0.003 0.000 0.251 290 G HA3 -0.263 3.698 3.960 0.003 0.000 0.251 290 G C 0.722 175.600 174.900 -0.037 0.000 1.008 290 G CA 0.428 45.504 45.100 -0.040 0.000 0.724 290 G HN 0.157 nan 8.290 nan 0.000 0.514 291 V N -1.406 118.491 119.914 -0.027 0.000 2.302 291 V HA 0.242 4.363 4.120 0.003 0.000 0.243 291 V C 0.894 177.016 176.094 0.047 0.000 1.036 291 V CA 2.104 64.394 62.300 -0.017 0.000 1.020 291 V CB -0.105 31.692 31.823 -0.043 0.000 0.657 291 V HN 0.630 nan 8.190 nan 0.000 0.453 292 Y N 0.360 120.594 120.300 -0.110 0.000 2.401 292 Y HA 0.531 5.083 4.550 0.003 0.000 0.330 292 Y C -0.206 175.655 175.900 -0.066 0.000 1.071 292 Y CA -0.768 57.282 58.100 -0.083 0.000 1.049 292 Y CB 1.594 40.004 38.460 -0.082 0.000 1.239 292 Y HN 0.183 nan 8.280 nan 0.000 0.437 293 T N 0.974 115.176 114.554 -0.586 0.000 2.888 293 T HA 0.716 5.067 4.350 0.003 0.000 0.288 293 T C 0.806 175.254 174.700 -0.420 0.000 1.063 293 T CA -0.325 61.548 62.100 -0.378 0.000 1.010 293 T CB 1.535 70.281 68.868 -0.203 0.000 1.214 293 T HN 0.755 nan 8.240 nan 0.000 0.533 294 A N 0.342 123.042 122.820 -0.200 0.000 1.969 294 A HA 0.016 4.337 4.320 0.003 0.000 0.218 294 A C 2.242 179.807 177.584 -0.031 0.000 1.169 294 A CA 1.704 53.681 52.037 -0.100 0.000 0.635 294 A CB -0.883 18.074 19.000 -0.072 0.000 0.810 294 A HN 0.913 nan 8.150 nan 0.000 0.445 295 K N -0.291 120.068 120.400 -0.069 0.000 2.057 295 K HA -0.202 4.119 4.320 0.003 0.000 0.207 295 K C 1.216 177.789 176.600 -0.045 0.000 1.049 295 K CA 1.664 57.928 56.287 -0.038 0.000 0.931 295 K CB -0.242 32.227 32.500 -0.051 0.000 0.714 295 K HN 0.401 nan 8.250 nan 0.000 0.440 296 D N -0.184 120.128 120.400 -0.146 0.000 2.117 296 D HA -0.197 4.445 4.640 0.003 0.000 0.197 296 D C 1.727 177.996 176.300 -0.052 0.000 0.987 296 D CA 1.045 54.948 54.000 -0.162 0.000 0.829 296 D CB -0.341 40.245 40.800 -0.357 0.000 0.961 296 D HN 0.294 nan 8.370 nan 0.000 0.460 297 Y N 1.649 121.865 120.300 -0.140 0.000 2.128 297 Y HA -0.269 4.283 4.550 0.003 0.000 0.284 297 Y C 2.301 178.312 175.900 0.185 0.000 1.154 297 Y CA 2.137 60.332 58.100 0.159 0.000 1.149 297 Y CB -0.204 38.366 38.460 0.184 0.000 0.976 297 Y HN -0.046 nan 8.280 nan 0.000 0.505 298 A N -0.184 122.786 122.820 0.250 0.000 1.930 298 A HA -0.156 4.166 4.320 0.003 0.000 0.217 298 A C 1.871 179.496 177.584 0.067 0.000 1.175 298 A CA 1.810 53.942 52.037 0.157 0.000 0.627 298 A CB -0.749 18.331 19.000 0.135 0.000 0.815 298 A HN 0.522 nan 8.150 nan 0.000 0.443 299 D N 0.074 120.496 120.400 0.037 0.000 2.144 299 D HA -0.104 4.537 4.640 0.003 0.000 0.199 299 D C 1.795 178.110 176.300 0.027 0.000 0.984 299 D CA 1.035 55.048 54.000 0.023 0.000 0.834 299 D CB -0.287 40.509 40.800 -0.006 0.000 0.955 299 D HN 0.532 nan 8.370 nan 0.000 0.465 300 I N 0.390 120.935 120.570 -0.041 0.000 2.202 300 I HA -0.227 3.945 4.170 0.003 0.000 0.242 300 I C 2.405 178.545 176.117 0.039 0.000 1.091 300 I CA 0.663 61.898 61.300 -0.108 0.000 1.368 300 I CB -0.160 37.539 38.000 -0.500 0.000 1.058 300 I HN -0.020 nan 8.210 nan 0.000 0.410 301 L N 0.341 121.615 121.223 0.086 0.000 2.012 301 L HA -0.266 4.076 4.340 0.003 0.000 0.210 301 L C 2.627 179.586 176.870 0.149 0.000 1.073 301 L CA 1.779 56.734 54.840 0.192 0.000 0.748 301 L CB -0.718 41.410 42.059 0.115 0.000 0.891 301 L HN 0.330 nan 8.230 nan 0.000 0.431 302 E N 0.140 120.394 120.200 0.090 0.000 2.085 302 E HA -0.295 4.057 4.350 0.003 0.000 0.194 302 E C 2.119 178.752 176.600 0.055 0.000 0.994 302 E CA 1.544 57.982 56.400 0.062 0.000 0.801 302 E CB -0.187 29.544 29.700 0.052 0.000 0.743 302 E HN 0.371 nan 8.360 nan 0.000 0.453 303 F N 0.986 120.899 119.950 -0.063 0.000 2.102 303 F HA -0.136 4.394 4.527 0.004 0.000 0.298 303 F C 1.768 177.451 175.800 -0.195 0.000 1.105 303 F CA 1.432 59.362 58.000 -0.117 0.000 1.239 303 F CB -0.184 38.733 39.000 -0.138 0.000 0.991 303 F HN 0.009 nan 8.300 nan 0.000 0.474 304 L N -0.639 120.396 121.223 -0.313 0.000 2.201 304 L HA -0.170 4.172 4.340 0.003 0.000 0.212 304 L C 2.316 178.965 176.870 -0.369 0.000 1.105 304 L CA 0.522 54.944 54.840 -0.696 0.000 0.775 304 L CB -0.743 40.978 42.059 -0.564 0.000 0.913 304 L HN 0.051 nan 8.230 nan 0.000 0.440 305 V N 0.185 120.105 119.914 0.010 0.000 2.307 305 V HA -0.187 3.935 4.120 0.003 0.000 0.245 305 V C 2.538 178.595 176.094 -0.062 0.000 1.045 305 V CA 2.107 64.486 62.300 0.131 0.000 1.024 305 V CB -1.002 30.879 31.823 0.096 0.000 0.651 305 V HN 0.556 nan 8.190 nan 0.000 0.449 306 G N -0.286 108.399 108.800 -0.191 0.000 2.430 306 G HA2 -0.232 3.729 3.960 0.003 0.000 0.216 306 G HA3 -0.232 3.729 3.960 0.003 0.000 0.216 306 G C 1.635 176.336 174.900 -0.331 0.000 1.146 306 G CA 0.727 45.698 45.100 -0.216 0.000 0.793 306 G HN 0.433 nan 8.290 nan 0.000 0.537 307 R N -0.260 119.861 120.500 -0.631 0.000 2.081 307 R HA -0.046 4.295 4.340 0.003 0.000 0.235 307 R C 1.760 177.840 176.300 -0.366 0.000 1.131 307 R CA 1.296 56.970 56.100 -0.710 0.000 0.960 307 R CB -0.542 28.983 30.300 -1.292 0.000 0.856 307 R HN 0.424 nan 8.270 nan 0.000 0.436 308 W N 1.401 122.539 121.300 -0.270 0.000 3.290 308 W HA 0.278 4.939 4.660 0.001 0.000 0.287 308 W C -0.147 176.133 176.519 -0.397 0.000 1.288 308 W CA -0.040 57.116 57.345 -0.316 0.000 1.725 308 W CB -0.159 29.060 29.460 -0.401 0.000 1.103 308 W HN 0.177 nan 8.180 nan 0.000 0.670 309 K N -0.465 119.878 120.400 -0.095 0.000 3.096 309 K HA -0.206 4.116 4.320 0.003 0.000 0.266 309 K C 0.795 177.318 176.600 -0.129 0.000 1.043 309 K CA 0.371 56.598 56.287 -0.100 0.000 0.758 309 K CB -1.854 30.603 32.500 -0.072 0.000 1.260 309 K HN -0.042 nan 8.250 nan 0.000 0.481 310 V N -0.200 119.643 119.914 -0.118 0.000 2.407 310 V HA -0.284 3.838 4.120 0.003 0.000 0.248 310 V C 2.180 178.259 176.094 -0.025 0.000 1.055 310 V CA 2.365 64.611 62.300 -0.090 0.000 1.049 310 V CB -0.372 31.492 31.823 0.069 0.000 0.662 310 V HN 0.505 nan 8.190 nan 0.000 0.455 311 D N 0.025 120.415 120.400 -0.017 0.000 2.182 311 D HA -0.208 4.434 4.640 0.003 0.000 0.201 311 D C 1.986 178.280 176.300 -0.010 0.000 0.986 311 D CA 1.164 55.159 54.000 -0.008 0.000 0.847 311 D CB -0.029 40.763 40.800 -0.013 0.000 0.942 311 D HN 0.208 nan 8.370 nan 0.000 0.467 312 K N -0.715 119.672 120.400 -0.023 0.000 2.444 312 K HA 0.252 4.574 4.320 0.003 0.000 0.193 312 K C -0.094 176.502 176.600 -0.007 0.000 1.024 312 K CA -0.090 56.188 56.287 -0.016 0.000 1.077 312 K CB 0.072 32.559 32.500 -0.022 0.000 0.833 312 K HN 0.199 nan 8.250 nan 0.000 0.517 313 L N 1.119 122.339 121.223 -0.005 0.000 2.426 313 L HA 0.138 4.479 4.340 0.003 0.000 0.271 313 L C 0.545 177.432 176.870 0.029 0.000 1.169 313 L CA 0.027 54.878 54.840 0.019 0.000 0.836 313 L CB 0.812 42.896 42.059 0.041 0.000 1.112 313 L HN 0.160 nan 8.230 nan 0.000 0.465 314 T N -1.837 112.737 114.554 0.034 0.000 2.864 314 T HA 0.621 4.973 4.350 0.003 0.000 0.289 314 T C 0.390 175.109 174.700 0.033 0.000 1.082 314 T CA -0.376 61.742 62.100 0.029 0.000 1.009 314 T CB 1.591 70.471 68.868 0.020 0.000 1.234 314 T HN 0.927 nan 8.240 nan 0.000 0.526 315 G N 0.598 109.413 108.800 0.026 0.000 2.359 315 G HA2 -0.143 3.819 3.960 0.003 0.000 0.298 315 G HA3 -0.143 3.819 3.960 0.003 0.000 0.298 315 G C -0.372 174.545 174.900 0.028 0.000 1.030 315 G CA 0.230 45.343 45.100 0.023 0.000 1.149 315 G HN 0.792 nan 8.290 nan 0.000 0.512 316 L N 0.159 121.400 121.223 0.030 0.000 2.313 316 L HA 0.708 5.050 4.340 0.003 0.000 0.268 316 L C 1.282 178.165 176.870 0.022 0.000 1.010 316 L CA -0.672 54.188 54.840 0.034 0.000 0.814 316 L CB 1.794 43.883 42.059 0.049 0.000 1.304 316 L HN 0.449 nan 8.230 nan 0.000 0.441 317 S N 0.257 115.967 115.700 0.017 0.000 2.589 317 S HA 0.255 4.727 4.470 0.003 0.000 0.265 317 S C 1.115 175.722 174.600 0.011 0.000 1.342 317 S CA -0.095 58.109 58.200 0.008 0.000 1.005 317 S CB 1.300 64.499 63.200 -0.002 0.000 0.909 317 S HN 0.726 nan 8.310 nan 0.000 0.555 318 A N 0.813 123.637 122.820 0.005 0.000 1.917 318 A HA -0.163 4.158 4.320 0.003 0.000 0.219 318 A C 2.110 179.697 177.584 0.006 0.000 1.182 318 A CA 2.123 54.163 52.037 0.006 0.000 0.633 318 A CB -1.354 17.647 19.000 0.001 0.000 0.819 318 A HN 0.984 nan 8.150 nan 0.000 0.448 319 E N -0.241 119.958 120.200 -0.002 0.000 2.110 319 E HA -0.045 4.306 4.350 0.003 0.000 0.193 319 E C 1.959 178.563 176.600 0.006 0.000 0.988 319 E CA 1.468 57.864 56.400 -0.007 0.000 0.804 319 E CB -0.673 29.015 29.700 -0.019 0.000 0.745 319 E HN 0.446 nan 8.360 nan 0.000 0.458 320 G N -0.006 108.803 108.800 0.016 0.000 2.404 320 G HA2 -0.286 3.676 3.960 0.003 0.000 0.215 320 G HA3 -0.286 3.676 3.960 0.003 0.000 0.215 320 G C 1.554 176.487 174.900 0.054 0.000 1.174 320 G CA 0.659 45.783 45.100 0.039 0.000 0.780 320 G HN 0.268 nan 8.290 nan 0.000 0.537 321 Q N -0.047 119.779 119.800 0.042 0.000 2.084 321 Q HA -0.133 4.209 4.340 0.003 0.000 0.202 321 Q C 2.519 178.550 176.000 0.050 0.000 0.978 321 Q CA 1.601 57.431 55.803 0.045 0.000 0.844 321 Q CB -0.145 28.612 28.738 0.032 0.000 0.898 321 Q HN 0.598 nan 8.270 nan 0.000 0.426 322 K N 0.086 120.510 120.400 0.040 0.000 2.097 322 K HA -0.145 4.176 4.320 0.003 0.000 0.206 322 K C 1.901 178.545 176.600 0.073 0.000 1.049 322 K CA 1.286 57.599 56.287 0.043 0.000 0.933 322 K CB -0.145 32.363 32.500 0.014 0.000 0.717 322 K HN 0.138 nan 8.250 nan 0.000 0.442 323 A N 1.200 124.060 122.820 0.067 0.000 1.897 323 A HA -0.195 4.126 4.320 0.003 0.000 0.215 323 A C 2.177 179.849 177.584 0.147 0.000 1.181 323 A CA 1.476 53.575 52.037 0.103 0.000 0.620 323 A CB -0.656 18.390 19.000 0.077 0.000 0.821 323 A HN 0.608 nan 8.150 nan 0.000 0.443 324 Q N -0.415 119.457 119.800 0.120 0.000 2.030 324 Q HA -0.267 4.075 4.340 0.003 0.000 0.204 324 Q C 1.799 177.847 176.000 0.080 0.000 0.986 324 Q CA 2.002 57.871 55.803 0.110 0.000 0.843 324 Q CB -0.301 28.493 28.738 0.094 0.000 0.904 324 Q HN 0.636 nan 8.270 nan 0.000 0.420 325 D N -0.797 119.650 120.400 0.079 0.000 2.117 325 D HA -0.190 4.452 4.640 0.003 0.000 0.197 325 D C 1.789 178.130 176.300 0.069 0.000 0.987 325 D CA 1.103 55.139 54.000 0.062 0.000 0.829 325 D CB -0.205 40.632 40.800 0.061 0.000 0.961 325 D HN 0.383 nan 8.370 nan 0.000 0.460 326 Y N 1.019 121.311 120.300 -0.014 0.000 2.224 326 Y HA -0.197 4.354 4.550 0.002 0.000 0.289 326 Y C 2.173 178.039 175.900 -0.056 0.000 1.146 326 Y CA 1.204 59.288 58.100 -0.027 0.000 1.182 326 Y CB -0.335 38.109 38.460 -0.026 0.000 0.983 326 Y HN -0.181 nan 8.280 nan 0.000 0.524 327 V N -1.046 118.807 119.914 -0.101 0.000 2.307 327 V HA -0.329 3.793 4.120 0.003 0.000 0.245 327 V C 2.489 178.443 176.094 -0.233 0.000 1.045 327 V CA 1.901 64.037 62.300 -0.273 0.000 1.024 327 V CB -0.898 30.770 31.823 -0.259 0.000 0.651 327 V HN 0.626 nan 8.190 nan 0.000 0.449 328 C N -0.633 118.598 119.300 -0.115 0.000 2.435 328 C HA -0.073 4.388 4.460 0.003 0.000 0.279 328 C C 2.832 177.768 174.990 -0.090 0.000 1.321 328 C CA 0.604 59.578 59.018 -0.074 0.000 1.752 328 C CB -1.181 26.543 27.740 -0.027 0.000 1.959 328 C HN 0.481 nan 8.230 nan 0.000 0.500 329 R N 0.083 120.511 120.500 -0.120 0.000 2.115 329 R HA -0.021 4.321 4.340 0.003 0.000 0.226 329 R C 2.033 178.241 176.300 -0.152 0.000 1.100 329 R CA 0.772 56.803 56.100 -0.114 0.000 0.980 329 R CB -0.337 29.905 30.300 -0.097 0.000 0.875 329 R HN 0.422 nan 8.270 nan 0.000 0.445 330 L N 0.904 121.971 121.223 -0.260 0.000 2.017 330 L HA -0.070 4.272 4.340 0.003 0.000 0.208 330 L C -1.145 175.663 176.870 -0.104 0.000 1.073 330 L CA 1.850 56.534 54.840 -0.260 0.000 0.745 330 L CB -0.667 41.132 42.059 -0.433 0.000 0.894 330 L HN 0.060 nan 8.230 nan 0.000 0.432 331 P HA -0.105 nan 4.420 nan 0.000 0.214 331 P C -1.352 175.950 177.300 0.004 0.000 1.163 331 P CA 1.893 64.992 63.100 -0.003 0.000 0.883 331 P CB -1.224 30.478 31.700 0.003 0.000 0.788 332 P HA -0.134 nan 4.420 nan 0.000 0.216 332 P C 1.647 178.944 177.300 -0.004 0.000 1.150 332 P CA 1.485 64.582 63.100 -0.005 0.000 0.837 332 P CB -0.287 31.406 31.700 -0.012 0.000 0.786 333 R N -0.269 120.221 120.500 -0.017 0.000 2.073 333 R HA -0.081 4.260 4.340 0.003 0.000 0.234 333 R C 2.274 178.577 176.300 0.006 0.000 1.134 333 R CA 1.449 57.542 56.100 -0.012 0.000 0.952 333 R CB -0.820 29.461 30.300 -0.031 0.000 0.850 333 R HN 0.115 nan 8.270 nan 0.000 0.433 334 I N 0.045 120.626 120.570 0.019 0.000 2.252 334 I HA -0.241 3.931 4.170 0.003 0.000 0.245 334 I C 2.508 178.651 176.117 0.044 0.000 1.102 334 I CA 1.054 62.383 61.300 0.049 0.000 1.385 334 I CB -0.257 37.812 38.000 0.115 0.000 1.064 334 I HN 0.182 nan 8.210 nan 0.000 0.414 335 R N 1.067 121.591 120.500 0.039 0.000 2.105 335 R HA -0.158 4.184 4.340 0.003 0.000 0.239 335 R C 2.275 178.584 176.300 0.015 0.000 1.135 335 R CA 1.385 57.502 56.100 0.028 0.000 0.967 335 R CB -0.106 30.207 30.300 0.022 0.000 0.861 335 R HN 0.162 nan 8.270 nan 0.000 0.442 336 R N -0.039 120.468 120.500 0.011 0.000 2.060 336 R HA 0.004 4.346 4.340 0.003 0.000 0.206 336 R C 2.158 178.463 176.300 0.007 0.000 1.226 336 R CA 0.943 57.047 56.100 0.007 0.000 1.002 336 R CB -1.406 28.897 30.300 0.005 0.000 0.791 336 R HN 0.163 nan 8.270 nan 0.000 0.489 337 L N 1.554 122.782 121.223 0.009 0.000 2.166 337 L HA -0.262 4.079 4.340 0.003 0.000 0.228 337 L C 1.655 178.528 176.870 0.005 0.000 1.101 337 L CA 1.956 56.802 54.840 0.009 0.000 0.821 337 L CB -0.495 41.571 42.059 0.013 0.000 0.908 337 L HN 0.451 nan 8.230 nan 0.000 0.447 338 E N -1.527 118.676 120.200 0.005 0.000 2.411 338 E HA -0.010 4.342 4.350 0.003 0.000 0.204 338 E C 1.286 177.883 176.600 -0.006 0.000 1.059 338 E CA 0.154 56.551 56.400 -0.005 0.000 1.112 338 E CB 0.319 30.011 29.700 -0.013 0.000 1.168 338 E HN 0.632 nan 8.360 nan 0.000 0.445 339 E N -0.441 119.758 120.200 -0.003 0.000 2.206 339 E HA -0.010 4.342 4.350 0.003 0.000 0.195 339 E C 0.569 177.165 176.600 -0.007 0.000 0.935 339 E CA 0.068 56.464 56.400 -0.006 0.000 0.875 339 E CB -0.196 29.502 29.700 -0.003 0.000 0.841 339 E HN -0.003 nan 8.360 nan 0.000 0.477 340 R N 1.559 122.057 120.500 -0.004 0.000 4.647 340 R HA 0.139 4.481 4.340 0.003 0.000 0.160 340 R C -0.009 176.289 176.300 -0.003 0.000 2.111 340 R CA 0.535 56.634 56.100 -0.002 0.000 1.600 340 R CB -0.698 29.602 30.300 0.000 0.000 1.317 340 R HN 0.247 nan 8.270 nan 0.000 0.797 341 A N 1.301 124.118 122.820 -0.006 0.000 2.988 341 A HA 0.006 4.328 4.320 0.003 0.000 0.288 341 A C 1.581 179.163 177.584 -0.003 0.000 1.385 341 A CA -0.397 51.637 52.037 -0.006 0.000 1.001 341 A CB 0.070 19.063 19.000 -0.012 0.000 1.071 341 A HN 0.437 nan 8.150 nan 0.000 0.608 342 Q N 0.268 120.068 119.800 -0.001 0.000 2.135 342 Q HA -0.182 4.160 4.340 0.003 0.000 0.204 342 Q C 1.916 177.917 176.000 0.002 0.000 0.981 342 Q CA 2.086 57.889 55.803 0.000 0.000 0.856 342 Q CB -0.190 28.548 28.738 0.001 0.000 0.902 342 Q HN 0.705 nan 8.270 nan 0.000 0.425 343 G N 0.521 109.323 108.800 0.003 0.000 2.404 343 G HA2 -0.287 3.675 3.960 0.003 0.000 0.215 343 G HA3 -0.287 3.675 3.960 0.003 0.000 0.215 343 G C 1.575 176.479 174.900 0.007 0.000 1.174 343 G CA 0.884 45.988 45.100 0.006 0.000 0.780 343 G HN 0.335 nan 8.290 nan 0.000 0.537 344 R N 0.759 121.263 120.500 0.007 0.000 2.066 344 R HA 0.178 4.519 4.340 0.003 0.000 0.232 344 R C 2.750 179.054 176.300 0.007 0.000 1.131 344 R CA 1.762 57.867 56.100 0.008 0.000 0.955 344 R CB -0.626 29.676 30.300 0.005 0.000 0.851 344 R HN 0.230 nan 8.270 nan 0.000 0.432 345 A N 0.622 123.444 122.820 0.002 0.000 1.858 345 A HA -0.137 4.185 4.320 0.003 0.000 0.216 345 A C 1.828 179.415 177.584 0.005 0.000 1.190 345 A CA 1.741 53.779 52.037 0.001 0.000 0.617 345 A CB -0.367 18.632 19.000 -0.002 0.000 0.827 345 A HN 0.389 nan 8.150 nan 0.000 0.443 346 K N -0.738 119.664 120.400 0.005 0.000 2.049 346 K HA 0.022 4.343 4.320 0.003 0.000 0.214 346 K C 1.935 178.540 176.600 0.007 0.000 1.026 346 K CA 0.979 57.269 56.287 0.006 0.000 0.954 346 K CB -0.378 32.124 32.500 0.004 0.000 0.838 346 K HN 0.399 nan 8.250 nan 0.000 0.450 347 E N 1.046 121.250 120.200 0.007 0.000 2.197 347 E HA -0.216 4.136 4.350 0.003 0.000 0.205 347 E C 0.186 176.791 176.600 0.008 0.000 1.029 347 E CA 0.802 57.206 56.400 0.007 0.000 0.828 347 E CB -0.357 29.347 29.700 0.006 0.000 0.737 347 E HN 0.414 nan 8.360 nan 0.000 0.464 348 A N 2.563 125.389 122.820 0.011 0.000 2.570 348 A HA -0.110 4.211 4.320 0.003 0.000 0.274 348 A C -1.842 175.748 177.584 0.009 0.000 0.943 348 A CA -0.320 51.725 52.037 0.013 0.000 0.983 348 A CB -0.376 18.635 19.000 0.019 0.000 0.802 348 A HN 0.082 nan 8.150 nan 0.000 0.456 349 P HA 0.301 nan 4.420 nan 0.000 0.277 349 P C -0.121 177.177 177.300 -0.004 0.000 1.271 349 P CA -0.250 62.845 63.100 -0.009 0.000 0.795 349 P CB 0.563 32.246 31.700 -0.028 0.000 1.101 350 T N 0.993 115.546 114.554 -0.002 0.000 2.875 350 T HA 0.630 4.982 4.350 0.003 0.000 0.284 350 T C 0.227 174.916 174.700 -0.018 0.000 0.995 350 T CA -0.310 61.801 62.100 0.017 0.000 1.060 350 T CB 0.359 69.244 68.868 0.029 0.000 0.967 350 T HN 0.537 nan 8.240 nan 0.000 0.476 351 M N 2.594 122.191 119.600 -0.004 0.000 2.470 351 M HA 0.605 5.087 4.480 0.003 0.000 0.285 351 M C -3.096 173.169 176.300 -0.058 0.000 1.213 351 M CA -2.186 53.049 55.300 -0.109 0.000 0.901 351 M CB 2.648 35.065 32.600 -0.306 0.000 1.718 351 M HN 0.189 nan 8.290 nan 0.000 0.469 352 P HA 0.278 nan 4.420 nan 0.000 0.271 352 P C -1.565 175.615 177.300 -0.201 0.000 1.218 352 P CA 0.290 63.366 63.100 -0.039 0.000 0.780 352 P CB 0.196 31.864 31.700 -0.053 0.000 0.901 353 F N 0.491 120.396 119.950 -0.075 0.000 2.477 353 F HA 0.159 4.688 4.527 0.003 0.000 0.335 353 F C 1.861 177.583 175.800 -0.131 0.000 1.130 353 F CA -0.258 57.640 58.000 -0.170 0.000 0.948 353 F CB 1.514 40.427 39.000 -0.145 0.000 1.154 353 F HN 0.268 nan 8.300 nan 0.000 0.439 354 S N 3.146 118.796 115.700 -0.083 0.000 2.420 354 S HA -0.208 4.264 4.470 0.003 0.000 0.237 354 S C 1.645 176.275 174.600 0.050 0.000 1.023 354 S CA 1.057 59.240 58.200 -0.029 0.000 0.991 354 S CB -0.352 62.814 63.200 -0.056 0.000 0.792 354 S HN 0.699 nan 8.310 nan 0.000 0.488 355 W N 2.385 123.706 121.300 0.036 0.000 2.387 355 W HA 0.170 4.832 4.660 0.003 0.000 0.272 355 W C 1.590 178.007 176.519 -0.170 0.000 1.224 355 W CA 0.184 57.496 57.345 -0.055 0.000 1.210 355 W CB -0.895 28.584 29.460 0.033 0.000 1.125 355 W HN 0.546 nan 8.180 nan 0.000 0.572 356 I N -5.152 115.491 120.570 0.121 0.000 3.283 356 I HA 0.304 4.476 4.170 0.003 0.000 0.342 356 I C -0.293 175.918 176.117 0.157 0.000 1.510 356 I CA -0.796 60.543 61.300 0.066 0.000 1.006 356 I CB -0.980 37.128 38.000 0.179 0.000 1.596 356 I HN -0.258 nan 8.210 nan 0.000 0.509 357 F N 0.809 120.826 119.950 0.112 0.000 3.057 357 F HA -0.280 4.249 4.527 0.003 0.000 0.287 357 F C 0.696 176.534 175.800 0.063 0.000 0.834 357 F CA 1.190 59.232 58.000 0.071 0.000 1.147 357 F CB -2.361 36.663 39.000 0.040 0.000 1.245 357 F HN 0.560 nan 8.300 nan 0.000 0.509 358 D N -1.480 119.025 120.400 0.175 0.000 3.077 358 D HA -0.220 4.422 4.640 0.003 0.000 0.212 358 D C 0.734 177.113 176.300 0.132 0.000 1.125 358 D CA 1.199 55.272 54.000 0.121 0.000 0.970 358 D CB -0.625 40.226 40.800 0.085 0.000 1.110 358 D HN 0.559 nan 8.370 nan 0.000 0.419 359 R N 0.382 120.986 120.500 0.173 0.000 2.734 359 R HA 0.245 4.587 4.340 0.003 0.000 0.266 359 R C 0.875 177.276 176.300 0.168 0.000 1.044 359 R CA 0.362 56.553 56.100 0.151 0.000 1.128 359 R CB 0.516 30.912 30.300 0.159 0.000 1.010 359 R HN 0.218 nan 8.270 nan 0.000 0.461 360 Q N 0.792 120.676 119.800 0.139 0.000 2.306 360 Q HA 0.535 4.877 4.340 0.003 0.000 0.265 360 Q C -0.737 175.359 176.000 0.160 0.000 1.022 360 Q CA -0.928 54.966 55.803 0.153 0.000 0.853 360 Q CB 2.453 31.243 28.738 0.087 0.000 1.327 360 Q HN 0.469 nan 8.270 nan 0.000 0.449 361 V N -1.894 118.143 119.914 0.205 0.000 3.049 361 V HA 0.540 4.662 4.120 0.003 0.000 0.309 361 V C -0.844 175.338 176.094 0.146 0.000 1.148 361 V CA -1.231 61.159 62.300 0.150 0.000 0.990 361 V CB 1.938 33.818 31.823 0.096 0.000 1.039 361 V HN 0.699 nan 8.190 nan 0.000 0.430 362 K N 2.041 122.498 120.400 0.094 0.000 2.401 362 K HA 0.377 4.699 4.320 0.003 0.000 0.278 362 K C -0.385 176.267 176.600 0.087 0.000 1.018 362 K CA -0.399 55.931 56.287 0.073 0.000 0.981 362 K CB 0.670 33.200 32.500 0.050 0.000 0.933 362 K HN 0.651 nan 8.250 nan 0.000 0.477 363 L N 0.000 121.268 121.223 0.075 0.000 2.949 363 L HA 0.000 4.342 4.340 0.003 0.000 0.249 363 L CA 0.000 54.892 54.840 0.087 0.000 0.813 363 L CB 0.000 42.094 42.059 0.059 0.000 0.961 363 L HN 0.000 nan 8.230 nan 0.000 0.502