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 3k7a_1_K DATA FIRST_RESID 1 DATA SEQUENCE MNAPDRFELF LLGEGESKLK IDPDTKAPNA VVITFEKEDH TLGNLIRAEL DATA SEQUENCE LNDRKVLFAA YKVEHPFFAR FKLRIQTTEG YDPKDALKNA CNSIINKLGA DATA SEQUENCE LKTNFETEWN LQTL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.280 176.300 -0.034 0.000 1.140 1 M CA 0.000 55.285 55.300 -0.026 0.000 0.988 1 M CB 0.000 32.590 32.600 -0.017 0.000 1.302 2 N N 1.726 120.399 118.700 -0.045 0.000 2.236 2 N HA 0.386 5.126 4.740 0.000 0.000 0.196 2 N C 0.271 175.730 175.510 -0.085 0.000 1.114 2 N CA 0.543 53.559 53.050 -0.057 0.000 0.859 2 N CB 1.108 39.562 38.487 -0.054 0.000 0.982 2 N HN 0.522 nan 8.380 nan 0.000 0.493 3 A N 2.977 125.745 122.820 -0.088 0.000 2.546 3 A HA 0.216 4.536 4.320 0.000 0.000 0.243 3 A C -1.660 175.856 177.584 -0.113 0.000 1.063 3 A CA -0.570 51.401 52.037 -0.110 0.000 0.757 3 A CB -0.205 18.744 19.000 -0.085 0.000 0.991 3 A HN 0.094 nan 8.150 nan 0.000 0.503 4 P HA 0.258 nan 4.420 nan 0.000 0.276 4 P C -0.701 176.479 177.300 -0.200 0.000 1.261 4 P CA -0.601 62.416 63.100 -0.139 0.000 0.800 4 P CB 0.565 32.205 31.700 -0.101 0.000 1.066 5 D N 0.876 121.074 120.400 -0.335 0.000 2.372 5 D HA 0.047 4.687 4.640 0.000 0.000 0.243 5 D C 1.463 177.427 176.300 -0.560 0.000 1.121 5 D CA -0.306 53.361 54.000 -0.554 0.000 0.898 5 D CB 1.113 41.281 40.800 -1.054 0.000 1.202 5 D HN 0.191 nan 8.370 nan 0.000 0.428 6 R N 1.532 121.817 120.500 -0.358 0.000 2.115 6 R HA -0.109 4.231 4.340 0.000 0.000 0.230 6 R C 1.887 178.198 176.300 0.019 0.000 1.111 6 R CA 0.794 56.840 56.100 -0.090 0.000 0.976 6 R CB -0.452 29.878 30.300 0.049 0.000 0.870 6 R HN 0.548 nan 8.270 nan 0.000 0.445 7 F N 0.236 120.193 119.950 0.012 0.000 2.802 7 F HA 0.171 4.698 4.527 0.000 0.000 0.300 7 F C 1.052 176.590 175.800 -0.436 0.000 1.168 7 F CA -0.036 57.755 58.000 -0.349 0.000 1.433 7 F CB -0.590 38.194 39.000 -0.360 0.000 1.115 7 F HN -0.101 nan 8.300 nan 0.000 0.582 8 E N 0.850 120.904 120.200 -0.242 0.000 2.511 8 E HA 0.028 4.378 4.350 0.000 0.000 0.196 8 E C 1.695 178.318 176.600 0.039 0.000 1.066 8 E CA 0.194 56.559 56.400 -0.058 0.000 0.871 8 E CB -0.172 29.453 29.700 -0.126 0.000 0.863 8 E HN 0.556 nan 8.360 nan 0.000 0.520 9 L N -0.444 120.854 121.223 0.126 0.000 2.509 9 L HA 0.060 4.400 4.340 0.000 0.000 0.222 9 L C 1.327 178.457 176.870 0.435 0.000 1.123 9 L CA 0.531 55.552 54.840 0.301 0.000 0.856 9 L CB 0.111 42.389 42.059 0.366 0.000 0.985 9 L HN 0.242 nan 8.230 nan 0.000 0.456 10 F N -4.307 115.716 119.950 0.121 0.000 3.031 10 F HA 0.391 4.918 4.527 0.000 0.000 0.365 10 F C -0.283 175.577 175.800 0.099 0.000 1.128 10 F CA -0.687 57.375 58.000 0.104 0.000 1.068 10 F CB 0.384 39.439 39.000 0.092 0.000 1.280 10 F HN -0.302 nan 8.300 nan 0.000 0.529 11 L N 3.724 124.792 121.223 -0.258 0.000 2.316 11 L HA 0.516 4.856 4.340 0.000 0.000 0.280 11 L C -0.473 176.364 176.870 -0.056 0.000 1.006 11 L CA -1.405 53.324 54.840 -0.186 0.000 0.836 11 L CB 1.230 43.102 42.059 -0.312 0.000 1.221 11 L HN 0.103 nan 8.230 nan 0.000 0.418 12 L N 2.936 124.140 121.223 -0.032 0.000 2.453 12 L HA 0.431 4.771 4.340 0.000 0.000 0.272 12 L C 1.344 178.198 176.870 -0.027 0.000 1.182 12 L CA 0.480 55.308 54.840 -0.020 0.000 0.858 12 L CB 0.013 42.058 42.059 -0.024 0.000 1.120 12 L HN 0.680 nan 8.230 nan 0.000 0.474 13 G N 1.921 110.712 108.800 -0.015 0.000 3.229 13 G HA2 0.208 4.168 3.960 0.000 0.000 0.165 13 G HA3 0.208 4.168 3.960 0.000 0.000 0.165 13 G C -0.391 174.492 174.900 -0.028 0.000 1.753 13 G CA -0.432 44.660 45.100 -0.014 0.000 1.054 13 G HN 0.622 nan 8.290 nan 0.000 0.544 14 E N 0.023 120.208 120.200 -0.026 0.000 2.134 14 E HA 0.444 4.794 4.350 0.000 0.000 0.278 14 E C 0.385 176.964 176.600 -0.034 0.000 0.959 14 E CA 0.168 56.550 56.400 -0.030 0.000 0.783 14 E CB 1.242 30.926 29.700 -0.026 0.000 1.095 14 E HN 0.829 nan 8.360 nan 0.000 0.399 15 G N 3.463 112.242 108.800 -0.036 0.000 2.176 15 G HA2 -0.308 3.653 3.960 0.000 0.000 0.252 15 G HA3 -0.308 3.653 3.960 0.000 0.000 0.252 15 G C -0.227 174.646 174.900 -0.046 0.000 1.024 15 G CA -0.003 45.073 45.100 -0.039 0.000 0.755 15 G HN 0.556 nan 8.290 nan 0.000 0.507 16 E N 0.501 120.673 120.200 -0.046 0.000 2.155 16 E HA 0.512 4.863 4.350 0.000 0.000 0.264 16 E C -0.376 176.190 176.600 -0.057 0.000 0.886 16 E CA -0.407 55.961 56.400 -0.052 0.000 0.752 16 E CB 1.454 31.126 29.700 -0.046 0.000 1.133 16 E HN 0.156 nan 8.360 nan 0.000 0.414 17 S N 2.517 118.175 115.700 -0.071 0.000 2.541 17 S HA 0.129 4.599 4.470 0.000 0.000 0.283 17 S C 1.133 175.665 174.600 -0.113 0.000 1.196 17 S CA -0.830 57.319 58.200 -0.084 0.000 1.062 17 S CB 1.267 64.414 63.200 -0.088 0.000 1.009 17 S HN 0.417 nan 8.310 nan 0.000 0.502 18 K N 1.013 121.344 120.400 -0.115 0.000 2.144 18 K HA -0.065 4.255 4.320 0.000 0.000 0.209 18 K C 0.211 176.633 176.600 -0.297 0.000 1.047 18 K CA 1.481 57.674 56.287 -0.156 0.000 0.927 18 K CB -0.358 32.065 32.500 -0.129 0.000 0.716 18 K HN 0.533 nan 8.250 nan 0.000 0.454 19 L N -0.213 120.833 121.223 -0.294 0.000 2.401 19 L HA 0.402 4.742 4.340 0.000 0.000 0.266 19 L C -0.602 176.127 176.870 -0.236 0.000 0.991 19 L CA -0.819 53.785 54.840 -0.393 0.000 0.818 19 L CB 2.340 44.138 42.059 -0.434 0.000 1.321 19 L HN -0.285 nan 8.230 nan 0.000 0.413 20 K N 2.856 123.128 120.400 -0.214 0.000 2.640 20 K HA 0.575 4.895 4.320 0.000 0.000 0.245 20 K C -1.447 175.098 176.600 -0.092 0.000 0.962 20 K CA -0.256 55.957 56.287 -0.123 0.000 0.896 20 K CB 1.361 33.805 32.500 -0.094 0.000 1.147 20 K HN 0.463 nan 8.250 nan 0.000 0.445 21 I N 4.043 124.570 120.570 -0.072 0.000 2.321 21 I HA 0.253 4.423 4.170 0.000 0.000 0.291 21 I C -0.709 175.393 176.117 -0.025 0.000 0.998 21 I CA -0.447 60.828 61.300 -0.042 0.000 1.227 21 I CB 1.171 39.147 38.000 -0.041 0.000 1.368 21 I HN 0.468 nan 8.210 nan 0.000 0.466 22 D N 8.491 128.885 120.400 -0.010 0.000 2.629 22 D HA 0.310 4.950 4.640 0.000 0.000 0.250 22 D C -2.572 173.727 176.300 -0.000 0.000 1.126 22 D CA -1.361 52.636 54.000 -0.006 0.000 0.852 22 D CB 1.985 42.783 40.800 -0.004 0.000 1.335 22 D HN 0.197 nan 8.370 nan 0.000 0.518 23 P HA 0.103 nan 4.420 nan 0.000 0.276 23 P C -0.205 177.091 177.300 -0.007 0.000 1.243 23 P CA -0.218 62.880 63.100 -0.004 0.000 0.768 23 P CB 0.881 32.578 31.700 -0.006 0.000 0.856 24 D N 1.966 122.360 120.400 -0.010 0.000 2.423 24 D HA 0.017 4.657 4.640 0.000 0.000 0.238 24 D C 1.271 177.557 176.300 -0.023 0.000 1.142 24 D CA 0.471 54.457 54.000 -0.022 0.000 0.884 24 D CB 0.735 41.510 40.800 -0.042 0.000 1.199 24 D HN 0.339 nan 8.370 nan 0.000 0.438 25 T N 0.082 114.621 114.554 -0.025 0.000 3.040 25 T HA 0.025 4.375 4.350 0.000 0.000 0.252 25 T C 1.548 176.232 174.700 -0.027 0.000 1.064 25 T CA -0.078 62.009 62.100 -0.022 0.000 1.110 25 T CB 0.092 68.951 68.868 -0.016 0.000 0.921 25 T HN 0.193 nan 8.240 nan 0.000 0.480 26 K N 2.679 123.056 120.400 -0.039 0.000 1.969 26 K HA 0.216 4.536 4.320 0.000 0.000 0.216 26 K C 1.532 178.105 176.600 -0.045 0.000 1.048 26 K CA 1.338 57.598 56.287 -0.045 0.000 0.948 26 K CB -0.933 31.528 32.500 -0.065 0.000 0.726 26 K HN 0.528 nan 8.250 nan 0.000 0.442 27 A N 2.544 125.328 122.820 -0.059 0.000 2.242 27 A HA 0.453 4.773 4.320 0.000 0.000 0.304 27 A C -2.240 175.326 177.584 -0.029 0.000 1.100 27 A CA -1.211 50.797 52.037 -0.049 0.000 0.860 27 A CB -0.031 18.925 19.000 -0.074 0.000 1.168 27 A HN 0.112 nan 8.150 nan 0.000 0.503 28 P HA 0.263 nan 4.420 nan 0.000 0.285 28 P C -0.498 176.803 177.300 0.001 0.000 1.269 28 P CA -0.559 62.539 63.100 -0.004 0.000 0.844 28 P CB 0.660 32.362 31.700 0.004 0.000 1.094 29 N N -1.593 117.111 118.700 0.006 0.000 2.708 29 N HA -0.181 4.559 4.740 0.000 0.000 0.249 29 N C -0.532 174.981 175.510 0.005 0.000 1.097 29 N CA 1.146 54.203 53.050 0.011 0.000 0.710 29 N CB -1.090 37.412 38.487 0.026 0.000 1.032 29 N HN 0.679 nan 8.380 nan 0.000 0.551 30 A N -0.368 122.449 122.820 -0.005 0.000 2.350 30 A HA 0.789 5.109 4.320 0.000 0.000 0.324 30 A C -0.178 177.403 177.584 -0.004 0.000 1.118 30 A CA -0.390 51.641 52.037 -0.011 0.000 0.783 30 A CB 2.269 21.242 19.000 -0.046 0.000 1.236 30 A HN 0.024 nan 8.150 nan 0.000 0.457 31 V N 2.110 122.032 119.914 0.014 0.000 2.777 31 V HA 0.362 4.483 4.120 0.000 0.000 0.306 31 V C -0.946 175.181 176.094 0.054 0.000 1.112 31 V CA -0.445 61.870 62.300 0.025 0.000 0.917 31 V CB 2.215 34.052 31.823 0.024 0.000 1.018 31 V HN 0.716 nan 8.190 nan 0.000 0.426 32 V N 6.462 126.406 119.914 0.050 0.000 2.294 32 V HA 0.474 4.594 4.120 0.000 0.000 0.272 32 V C -0.077 176.068 176.094 0.086 0.000 1.027 32 V CA -0.282 62.068 62.300 0.083 0.000 0.823 32 V CB 1.094 32.955 31.823 0.063 0.000 1.030 32 V HN 0.656 nan 8.190 nan 0.000 0.457 33 I N 3.794 124.446 120.570 0.138 0.000 2.301 33 I HA 0.246 4.416 4.170 0.000 0.000 0.292 33 I C 0.683 176.892 176.117 0.154 0.000 1.046 33 I CA 0.081 61.445 61.300 0.107 0.000 1.282 33 I CB 1.126 39.211 38.000 0.143 0.000 1.409 33 I HN 0.425 nan 8.210 nan 0.000 0.484 34 T N 6.712 121.274 114.554 0.013 0.000 2.761 34 T HA 0.318 4.668 4.350 0.000 0.000 0.296 34 T C -0.290 174.315 174.700 -0.158 0.000 0.934 34 T CA 0.032 62.134 62.100 0.002 0.000 1.091 34 T CB -0.029 68.826 68.868 -0.021 0.000 0.896 34 T HN 0.097 nan 8.240 nan 0.000 0.515 35 F N 3.021 122.711 119.950 -0.434 0.000 2.410 35 F HA 0.330 4.857 4.527 0.000 0.000 0.349 35 F C 1.000 176.573 175.800 -0.379 0.000 1.117 35 F CA -0.941 56.724 58.000 -0.559 0.000 1.104 35 F CB 0.948 39.201 39.000 -1.245 0.000 1.122 35 F HN 0.371 nan 8.300 nan 0.000 0.483 36 E N 3.536 123.668 120.200 -0.114 0.000 2.204 36 E HA 0.225 4.575 4.350 0.000 0.000 0.276 36 E C -0.041 176.574 176.600 0.025 0.000 0.974 36 E CA -0.578 55.798 56.400 -0.040 0.000 0.815 36 E CB 1.265 30.930 29.700 -0.058 0.000 1.119 36 E HN 0.349 nan 8.360 nan 0.000 0.393 37 K N 1.040 121.484 120.400 0.072 0.000 3.071 37 K HA -0.174 4.146 4.320 0.000 0.000 0.265 37 K C -0.342 176.359 176.600 0.168 0.000 1.060 37 K CA 0.888 57.251 56.287 0.127 0.000 0.767 37 K CB -1.251 31.314 32.500 0.108 0.000 1.241 37 K HN 0.476 nan 8.250 nan 0.000 0.486 38 E N 0.519 120.822 120.200 0.172 0.000 2.367 38 E HA 0.427 4.777 4.350 0.000 0.000 0.273 38 E C 0.005 176.808 176.600 0.338 0.000 0.903 38 E CA -0.632 55.916 56.400 0.246 0.000 0.764 38 E CB 2.054 31.919 29.700 0.275 0.000 1.252 38 E HN 0.215 nan 8.360 nan 0.000 0.446 39 D N -1.146 119.433 120.400 0.299 0.000 2.758 39 D HA 0.226 4.866 4.640 0.000 0.000 0.262 39 D C 1.088 177.360 176.300 -0.047 0.000 1.113 39 D CA -0.410 53.695 54.000 0.174 0.000 1.114 39 D CB 0.084 40.964 40.800 0.133 0.000 1.363 39 D HN 0.287 nan 8.370 nan 0.000 0.617 40 H N -0.338 118.700 119.070 -0.053 0.000 2.292 40 H HA -0.160 4.396 4.556 0.000 0.000 0.292 40 H C 1.583 176.716 175.328 -0.324 0.000 1.100 40 H CA 2.508 58.420 56.048 -0.227 0.000 1.238 40 H CB -0.741 29.001 29.762 -0.032 0.000 1.355 40 H HN 0.478 nan 8.280 nan 0.000 0.484 41 T N 1.295 115.834 114.554 -0.024 0.000 2.635 41 T HA -0.228 4.122 4.350 0.000 0.000 0.265 41 T C 2.326 176.940 174.700 -0.143 0.000 1.058 41 T CA 1.907 63.969 62.100 -0.063 0.000 1.162 41 T CB -0.517 68.343 68.868 -0.013 0.000 0.859 41 T HN 0.081 nan 8.240 nan 0.000 0.449 42 L N 0.181 121.312 121.223 -0.153 0.000 2.102 42 L HA 0.231 4.571 4.340 0.000 0.000 0.202 42 L C 2.802 179.374 176.870 -0.496 0.000 1.076 42 L CA 1.522 56.255 54.840 -0.178 0.000 0.761 42 L CB -1.006 41.077 42.059 0.040 0.000 0.921 42 L HN 0.355 nan 8.230 nan 0.000 0.444 43 G N -0.710 107.452 108.800 -1.064 0.000 2.459 43 G HA2 -0.392 3.568 3.960 0.000 0.000 0.217 43 G HA3 -0.392 3.568 3.960 0.000 0.000 0.217 43 G C 1.471 175.375 174.900 -1.659 0.000 1.183 43 G CA 1.176 45.015 45.100 -2.103 0.000 0.776 43 G HN 0.401 nan 8.290 nan 0.000 0.552 44 N N -0.170 117.759 118.700 -1.284 0.000 2.188 44 N HA -0.055 4.685 4.740 0.000 0.000 0.184 44 N C 2.060 177.389 175.510 -0.302 0.000 1.018 44 N CA 0.854 53.571 53.050 -0.553 0.000 0.858 44 N CB -0.260 38.112 38.487 -0.192 0.000 0.989 44 N HN 0.220 nan 8.380 nan 0.000 0.426 45 L N 0.453 121.505 121.223 -0.284 0.000 2.093 45 L HA 0.077 4.417 4.340 0.000 0.000 0.208 45 L C 1.783 178.562 176.870 -0.151 0.000 1.085 45 L CA 1.424 56.162 54.840 -0.171 0.000 0.755 45 L CB -0.362 41.617 42.059 -0.132 0.000 0.904 45 L HN 0.277 nan 8.230 nan 0.000 0.435 46 I N -1.248 119.197 120.570 -0.208 0.000 2.500 46 I HA -0.145 4.026 4.170 0.000 0.000 0.252 46 I C 2.499 178.548 176.117 -0.113 0.000 1.142 46 I CA 0.380 61.597 61.300 -0.137 0.000 1.451 46 I CB -0.410 37.505 38.000 -0.143 0.000 1.093 46 I HN 0.281 nan 8.210 nan 0.000 0.430 47 R N 1.569 121.972 120.500 -0.163 0.000 2.075 47 R HA -0.083 4.257 4.340 0.000 0.000 0.232 47 R C 2.202 178.470 176.300 -0.054 0.000 1.126 47 R CA 1.701 57.758 56.100 -0.072 0.000 0.963 47 R CB -0.293 30.015 30.300 0.012 0.000 0.858 47 R HN 0.322 nan 8.270 nan 0.000 0.435 48 A N 1.042 123.824 122.820 -0.063 0.000 1.872 48 A HA -0.091 4.229 4.320 0.000 0.000 0.214 48 A C 2.019 179.583 177.584 -0.034 0.000 1.187 48 A CA 1.058 53.068 52.037 -0.045 0.000 0.614 48 A CB -0.368 18.604 19.000 -0.047 0.000 0.826 48 A HN 0.244 nan 8.150 nan 0.000 0.442 49 E N -0.108 120.072 120.200 -0.034 0.000 2.110 49 E HA -0.149 4.201 4.350 0.000 0.000 0.193 49 E C 1.925 178.524 176.600 -0.002 0.000 0.988 49 E CA 0.871 57.262 56.400 -0.015 0.000 0.804 49 E CB -0.339 29.354 29.700 -0.013 0.000 0.745 49 E HN 0.615 nan 8.360 nan 0.000 0.458 50 L N 0.270 121.489 121.223 -0.007 0.000 2.353 50 L HA -0.171 4.169 4.340 0.000 0.000 0.220 50 L C 1.985 178.855 176.870 -0.000 0.000 1.133 50 L CA 0.276 55.119 54.840 0.004 0.000 0.798 50 L CB -0.010 42.051 42.059 0.004 0.000 0.922 50 L HN 0.094 nan 8.230 nan 0.000 0.445 51 L N -0.781 120.432 121.223 -0.016 0.000 2.509 51 L HA 0.011 4.351 4.340 0.000 0.000 0.222 51 L C 1.843 178.711 176.870 -0.003 0.000 1.123 51 L CA 1.003 55.829 54.840 -0.023 0.000 0.856 51 L CB -0.766 41.265 42.059 -0.046 0.000 0.985 51 L HN 0.228 nan 8.230 nan 0.000 0.456 52 N N -0.794 117.910 118.700 0.007 0.000 2.416 52 N HA -0.079 4.661 4.740 0.000 0.000 0.177 52 N C 0.562 176.091 175.510 0.032 0.000 1.036 52 N CA 0.326 53.385 53.050 0.015 0.000 0.901 52 N CB -0.026 38.469 38.487 0.013 0.000 0.976 52 N HN 0.305 nan 8.380 nan 0.000 0.444 53 D N 0.891 121.321 120.400 0.050 0.000 2.383 53 D HA 0.043 4.683 4.640 0.000 0.000 0.252 53 D C 0.601 176.949 176.300 0.080 0.000 1.166 53 D CA 0.023 54.074 54.000 0.085 0.000 0.879 53 D CB 0.900 41.778 40.800 0.131 0.000 1.164 53 D HN 0.037 nan 8.370 nan 0.000 0.462 54 R N 2.544 123.088 120.500 0.073 0.000 2.310 54 R HA 0.044 4.384 4.340 0.000 0.000 0.202 54 R C 1.222 177.571 176.300 0.082 0.000 0.933 54 R CA 0.256 56.392 56.100 0.059 0.000 1.054 54 R CB 0.507 30.828 30.300 0.036 0.000 0.985 54 R HN 0.273 nan 8.270 nan 0.000 0.489 55 K N 0.649 121.131 120.400 0.137 0.000 2.410 55 K HA 0.147 4.467 4.320 0.000 0.000 0.200 55 K C -0.526 176.207 176.600 0.222 0.000 1.023 55 K CA 0.141 56.551 56.287 0.204 0.000 1.149 55 K CB 1.090 33.761 32.500 0.286 0.000 0.859 55 K HN -0.082 nan 8.250 nan 0.000 0.514 56 V N 2.510 122.510 119.914 0.144 0.000 2.328 56 V HA 0.136 4.256 4.120 0.000 0.000 0.278 56 V C 1.190 177.336 176.094 0.086 0.000 1.021 56 V CA -0.218 62.140 62.300 0.097 0.000 0.838 56 V CB 1.251 33.111 31.823 0.062 0.000 0.999 56 V HN 0.195 nan 8.190 nan 0.000 0.447 57 L N 4.193 125.481 121.223 0.109 0.000 2.179 57 L HA 0.212 4.552 4.340 0.000 0.000 0.208 57 L C 0.449 177.427 176.870 0.179 0.000 1.096 57 L CA 1.532 56.446 54.840 0.124 0.000 0.779 57 L CB -0.026 42.108 42.059 0.124 0.000 0.922 57 L HN 0.526 nan 8.230 nan 0.000 0.443 58 F N -0.407 119.557 119.950 0.024 0.000 2.619 58 F HA 0.685 5.212 4.527 0.000 0.000 0.308 58 F C -1.291 174.525 175.800 0.026 0.000 1.097 58 F CA -0.775 57.239 58.000 0.023 0.000 0.953 58 F CB 1.734 40.747 39.000 0.022 0.000 1.287 58 F HN -0.297 nan 8.300 nan 0.000 0.446 59 A N 3.713 126.188 122.820 -0.576 0.000 2.511 59 A HA 0.814 5.134 4.320 0.000 0.000 0.292 59 A C -1.838 175.485 177.584 -0.434 0.000 1.045 59 A CA 0.143 52.046 52.037 -0.223 0.000 0.870 59 A CB 0.509 19.471 19.000 -0.063 0.000 1.361 59 A HN 1.613 nan 8.150 nan 0.000 0.396 60 A N 1.388 124.154 122.820 -0.090 0.000 2.475 60 A HA 1.085 5.405 4.320 0.000 0.000 0.281 60 A C -0.926 176.780 177.584 0.204 0.000 1.263 60 A CA -0.243 51.798 52.037 0.007 0.000 0.776 60 A CB 1.194 20.259 19.000 0.109 0.000 1.347 60 A HN 2.214 nan 8.150 nan 0.000 0.443 61 Y N -1.161 119.151 120.300 0.021 0.000 2.656 61 Y HA 0.734 5.284 4.550 0.000 0.000 0.334 61 Y C -1.259 174.661 175.900 0.035 0.000 1.179 61 Y CA -0.993 57.125 58.100 0.029 0.000 1.050 61 Y CB 1.373 39.739 38.460 -0.158 0.000 1.308 61 Y HN 0.879 nan 8.280 nan 0.000 0.456 62 K N 1.371 121.808 120.400 0.062 0.000 2.575 62 K HA 0.515 4.835 4.320 0.000 0.000 0.255 62 K C -1.752 174.932 176.600 0.139 0.000 0.953 62 K CA -0.809 55.434 56.287 -0.074 0.000 0.840 62 K CB 1.959 34.435 32.500 -0.040 0.000 1.303 62 K HN 1.138 nan 8.250 nan 0.000 0.438 63 V N 0.960 120.912 119.914 0.063 0.000 2.381 63 V HA 0.135 4.255 4.120 0.000 0.000 0.257 63 V C 0.852 177.003 176.094 0.095 0.000 1.057 63 V CA 0.149 62.507 62.300 0.098 0.000 1.013 63 V CB 0.525 32.322 31.823 -0.043 0.000 1.069 63 V HN 1.001 nan 8.190 nan 0.000 0.484 64 E N 2.758 123.046 120.200 0.147 0.000 2.333 64 E HA -0.065 4.285 4.350 0.000 0.000 0.198 64 E C 0.147 176.846 176.600 0.164 0.000 1.007 64 E CA 1.261 57.744 56.400 0.138 0.000 0.845 64 E CB 0.075 29.872 29.700 0.162 0.000 0.766 64 E HN 0.980 nan 8.360 nan 0.000 0.507 65 H N -2.257 116.839 119.070 0.044 0.000 3.151 65 H HA 0.063 4.619 4.556 0.000 0.000 0.333 65 H C -2.168 173.111 175.328 -0.082 0.000 1.093 65 H CA -1.247 54.756 56.048 -0.074 0.000 1.342 65 H CB 1.704 31.390 29.762 -0.127 0.000 1.983 65 H HN -0.219 nan 8.280 nan 0.000 0.503 66 P HA -0.147 nan 4.420 nan 0.000 0.221 66 P C 1.253 178.633 177.300 0.134 0.000 1.145 66 P CA 1.206 64.266 63.100 -0.067 0.000 0.795 66 P CB 0.140 31.720 31.700 -0.200 0.000 0.775 67 F N -0.755 119.201 119.950 0.010 0.000 2.146 67 F HA -0.055 4.472 4.527 0.000 0.000 0.298 67 F C 1.159 176.804 175.800 -0.257 0.000 1.096 67 F CA 0.242 58.102 58.000 -0.234 0.000 1.275 67 F CB -0.197 38.413 39.000 -0.650 0.000 1.008 67 F HN -0.205 nan 8.300 nan 0.000 0.480 68 F N -0.244 119.921 119.950 0.359 0.000 2.436 68 F HA 0.523 5.050 4.527 0.000 0.000 0.340 68 F C 0.238 176.142 175.800 0.174 0.000 1.113 68 F CA -1.380 56.739 58.000 0.199 0.000 1.022 68 F CB 0.984 40.072 39.000 0.146 0.000 1.128 68 F HN -0.330 nan 8.300 nan 0.000 0.466 69 A N 4.989 127.999 122.820 0.317 0.000 2.666 69 A HA 0.637 4.957 4.320 0.000 0.000 0.312 69 A C -0.063 177.653 177.584 0.219 0.000 1.471 69 A CA -0.377 51.804 52.037 0.240 0.000 1.134 69 A CB -0.375 18.754 19.000 0.216 0.000 1.129 69 A HN 0.925 nan 8.150 nan 0.000 0.539 70 R N 1.113 121.751 120.500 0.229 0.000 2.644 70 R HA 0.655 4.995 4.340 0.000 0.000 0.257 70 R C -1.377 175.063 176.300 0.233 0.000 1.082 70 R CA -0.713 55.485 56.100 0.164 0.000 0.927 70 R CB 0.691 31.067 30.300 0.127 0.000 1.258 70 R HN 0.812 nan 8.270 nan 0.000 0.459 71 F N -0.521 119.525 119.950 0.159 0.000 2.643 71 F HA 0.695 5.222 4.527 0.000 0.000 0.314 71 F C -1.413 174.512 175.800 0.209 0.000 1.096 71 F CA -1.292 56.798 58.000 0.150 0.000 0.953 71 F CB 1.866 40.934 39.000 0.114 0.000 1.345 71 F HN 0.431 nan 8.300 nan 0.000 0.468 72 K N 1.801 122.472 120.400 0.451 0.000 2.221 72 K HA 0.661 4.981 4.320 0.000 0.000 0.258 72 K C -1.843 175.051 176.600 0.490 0.000 0.944 72 K CA -0.940 55.566 56.287 0.366 0.000 0.823 72 K CB 2.530 35.171 32.500 0.235 0.000 1.113 72 K HN 0.658 nan 8.250 nan 0.000 0.431 73 L N 2.967 124.454 121.223 0.439 0.000 2.316 73 L HA 0.343 4.683 4.340 0.000 0.000 0.280 73 L C -0.532 176.514 176.870 0.293 0.000 1.006 73 L CA -0.370 54.699 54.840 0.382 0.000 0.836 73 L CB 1.119 43.399 42.059 0.368 0.000 1.221 73 L HN 0.513 nan 8.230 nan 0.000 0.418 74 R N 5.052 125.725 120.500 0.287 0.000 2.340 74 R HA 0.658 4.998 4.340 0.000 0.000 0.300 74 R C -1.127 175.365 176.300 0.319 0.000 1.069 74 R CA -0.203 56.054 56.100 0.262 0.000 0.984 74 R CB 0.560 31.005 30.300 0.241 0.000 1.003 74 R HN 0.691 nan 8.270 nan 0.000 0.459 75 I N 3.047 123.749 120.570 0.219 0.000 2.582 75 I HA 0.277 4.447 4.170 0.000 0.000 0.292 75 I C -0.773 175.428 176.117 0.140 0.000 1.066 75 I CA -0.788 60.630 61.300 0.198 0.000 1.053 75 I CB 2.259 40.323 38.000 0.106 0.000 1.241 75 I HN 0.544 nan 8.210 nan 0.000 0.421 76 Q N 4.397 124.299 119.800 0.170 0.000 2.323 76 Q HA 0.617 4.957 4.340 0.000 0.000 0.271 76 Q C -1.365 174.685 176.000 0.084 0.000 1.048 76 Q CA -0.540 55.325 55.803 0.103 0.000 0.792 76 Q CB 2.699 31.502 28.738 0.108 0.000 1.280 76 Q HN 0.836 nan 8.270 nan 0.000 0.441 77 T N -0.684 113.895 114.554 0.042 0.000 2.901 77 T HA 0.494 4.844 4.350 0.000 0.000 0.293 77 T C -0.079 174.678 174.700 0.094 0.000 1.084 77 T CA -0.715 61.416 62.100 0.051 0.000 1.008 77 T CB 1.489 70.318 68.868 -0.066 0.000 1.170 77 T HN 0.447 nan 8.240 nan 0.000 0.509 78 T N 1.928 116.572 114.554 0.149 0.000 2.937 78 T HA 0.097 4.447 4.350 0.000 0.000 0.316 78 T C 0.472 175.250 174.700 0.130 0.000 1.079 78 T CA -0.186 61.992 62.100 0.131 0.000 1.131 78 T CB 0.158 69.107 68.868 0.135 0.000 1.000 78 T HN 0.776 nan 8.240 nan 0.000 0.549 79 E N 0.737 120.990 120.200 0.087 0.000 2.608 79 E HA 0.092 4.442 4.350 0.000 0.000 0.259 79 E C 1.370 178.023 176.600 0.090 0.000 0.951 79 E CA 0.950 57.394 56.400 0.074 0.000 0.945 79 E CB -0.342 29.388 29.700 0.050 0.000 0.916 79 E HN 0.943 nan 8.360 nan 0.000 0.477 80 G N 3.828 112.684 108.800 0.092 0.000 2.241 80 G HA2 -0.336 3.624 3.960 0.000 0.000 0.244 80 G HA3 -0.336 3.624 3.960 0.000 0.000 0.244 80 G C -0.144 174.857 174.900 0.168 0.000 0.998 80 G CA 0.290 45.448 45.100 0.096 0.000 0.621 80 G HN 0.673 nan 8.290 nan 0.000 0.519 81 Y N 2.275 122.588 120.300 0.022 0.000 2.404 81 Y HA 0.476 5.026 4.550 0.000 0.000 0.344 81 Y C -0.217 175.700 175.900 0.029 0.000 0.970 81 Y CA -1.117 56.998 58.100 0.025 0.000 1.180 81 Y CB 0.801 39.278 38.460 0.028 0.000 1.138 81 Y HN 0.133 nan 8.280 nan 0.000 0.510 82 D N 8.954 129.433 120.400 0.132 0.000 2.383 82 D HA 0.043 4.683 4.640 0.000 0.000 0.252 82 D C -1.539 174.623 176.300 -0.230 0.000 1.166 82 D CA -1.874 52.109 54.000 -0.029 0.000 0.879 82 D CB 1.805 42.620 40.800 0.025 0.000 1.164 82 D HN 0.390 nan 8.370 nan 0.000 0.462 83 P HA -0.180 nan 4.420 nan 0.000 0.217 83 P C 0.849 178.072 177.300 -0.129 0.000 1.148 83 P CA 1.281 64.269 63.100 -0.186 0.000 0.828 83 P CB 0.401 32.060 31.700 -0.067 0.000 0.783 84 K N -0.407 119.950 120.400 -0.072 0.000 2.097 84 K HA -0.118 4.202 4.320 0.000 0.000 0.206 84 K C 1.814 178.402 176.600 -0.020 0.000 1.049 84 K CA 1.317 57.588 56.287 -0.027 0.000 0.933 84 K CB -0.415 32.079 32.500 -0.011 0.000 0.717 84 K HN 0.141 nan 8.250 nan 0.000 0.442 85 D N 0.978 121.359 120.400 -0.032 0.000 2.117 85 D HA -0.096 4.544 4.640 0.000 0.000 0.198 85 D C 1.972 178.277 176.300 0.007 0.000 0.982 85 D CA 1.206 55.229 54.000 0.039 0.000 0.828 85 D CB -0.204 40.701 40.800 0.175 0.000 0.967 85 D HN 0.166 nan 8.370 nan 0.000 0.464 86 A N 1.107 123.786 122.820 -0.235 0.000 1.917 86 A HA -0.197 4.123 4.320 0.000 0.000 0.219 86 A C 2.201 179.769 177.584 -0.026 0.000 1.182 86 A CA 1.233 53.153 52.037 -0.195 0.000 0.633 86 A CB -0.833 17.920 19.000 -0.412 0.000 0.819 86 A HN 0.231 nan 8.150 nan 0.000 0.448 87 L N -0.191 121.021 121.223 -0.019 0.000 1.970 87 L HA -0.194 4.146 4.340 0.000 0.000 0.212 87 L C 2.347 179.251 176.870 0.057 0.000 1.071 87 L CA 2.493 57.359 54.840 0.044 0.000 0.751 87 L CB -0.611 41.489 42.059 0.068 0.000 0.889 87 L HN 0.374 nan 8.230 nan 0.000 0.432 88 K N -0.458 119.972 120.400 0.051 0.000 2.015 88 K HA -0.254 4.066 4.320 0.000 0.000 0.220 88 K C 1.980 178.617 176.600 0.062 0.000 1.055 88 K CA 1.988 58.309 56.287 0.057 0.000 0.951 88 K CB -0.566 31.967 32.500 0.055 0.000 0.725 88 K HN 0.424 nan 8.250 nan 0.000 0.449 89 N N 0.607 119.353 118.700 0.077 0.000 2.037 89 N HA -0.217 4.523 4.740 0.000 0.000 0.196 89 N C 1.813 177.362 175.510 0.064 0.000 1.034 89 N CA 1.594 54.694 53.050 0.083 0.000 0.861 89 N CB -0.549 38.015 38.487 0.129 0.000 1.039 89 N HN 0.272 nan 8.380 nan 0.000 0.427 90 A N 1.261 124.117 122.820 0.060 0.000 1.859 90 A HA -0.236 4.084 4.320 0.000 0.000 0.218 90 A C 2.806 180.413 177.584 0.039 0.000 1.209 90 A CA 1.939 54.002 52.037 0.044 0.000 0.639 90 A CB -1.332 17.691 19.000 0.037 0.000 0.835 90 A HN 0.493 nan 8.150 nan 0.000 0.450 91 C N -0.485 118.845 119.300 0.049 0.000 2.391 91 C HA -0.160 4.300 4.460 0.000 0.000 0.276 91 C C 2.764 177.777 174.990 0.039 0.000 1.217 91 C CA 1.278 60.325 59.018 0.049 0.000 1.766 91 C CB -1.674 26.106 27.740 0.066 0.000 2.046 91 C HN 0.653 nan 8.230 nan 0.000 0.475 92 N N 0.344 119.067 118.700 0.040 0.000 2.058 92 N HA -0.128 4.612 4.740 0.000 0.000 0.191 92 N C 1.999 177.526 175.510 0.028 0.000 1.037 92 N CA 1.598 54.668 53.050 0.033 0.000 0.848 92 N CB -0.699 37.810 38.487 0.037 0.000 1.021 92 N HN 0.469 nan 8.380 nan 0.000 0.422 93 S N 0.949 116.666 115.700 0.029 0.000 2.387 93 S HA -0.071 4.399 4.470 0.000 0.000 0.230 93 S C 2.077 176.686 174.600 0.016 0.000 1.035 93 S CA 0.770 58.984 58.200 0.023 0.000 1.014 93 S CB -0.228 62.987 63.200 0.026 0.000 0.836 93 S HN 0.228 nan 8.310 nan 0.000 0.466 94 I N 0.816 121.394 120.570 0.014 0.000 2.179 94 I HA -0.185 3.985 4.170 0.000 0.000 0.242 94 I C 2.146 178.267 176.117 0.006 0.000 1.088 94 I CA 1.349 62.653 61.300 0.006 0.000 1.357 94 I CB -0.383 37.620 38.000 0.004 0.000 1.051 94 I HN 0.330 nan 8.210 nan 0.000 0.409 95 I N 0.718 121.295 120.570 0.012 0.000 2.226 95 I HA -0.293 3.878 4.170 0.000 0.000 0.245 95 I C 2.278 178.401 176.117 0.010 0.000 1.100 95 I CA 1.159 62.465 61.300 0.011 0.000 1.374 95 I CB -0.548 37.462 38.000 0.017 0.000 1.057 95 I HN 0.326 nan 8.210 nan 0.000 0.413 96 N N 1.368 120.076 118.700 0.013 0.000 2.025 96 N HA -0.183 4.557 4.740 0.000 0.000 0.194 96 N C 1.766 177.283 175.510 0.012 0.000 1.044 96 N CA 1.421 54.479 53.050 0.014 0.000 0.851 96 N CB -0.365 38.131 38.487 0.016 0.000 1.036 96 N HN 0.334 nan 8.380 nan 0.000 0.422 97 K N 0.963 121.369 120.400 0.010 0.000 2.015 97 K HA -0.127 4.193 4.320 0.000 0.000 0.216 97 K C 2.258 178.860 176.600 0.005 0.000 1.052 97 K CA 1.126 57.418 56.287 0.008 0.000 0.937 97 K CB -0.491 32.011 32.500 0.004 0.000 0.719 97 K HN 0.125 nan 8.250 nan 0.000 0.446 98 L N 0.220 121.442 121.223 -0.002 0.000 2.043 98 L HA -0.216 4.124 4.340 0.000 0.000 0.212 98 L C 2.611 179.479 176.870 -0.003 0.000 1.075 98 L CA 1.569 56.402 54.840 -0.011 0.000 0.752 98 L CB -1.113 40.936 42.059 -0.017 0.000 0.891 98 L HN 0.443 nan 8.230 nan 0.000 0.432 99 G N -0.441 108.362 108.800 0.005 0.000 2.491 99 G HA2 -0.302 3.658 3.960 0.000 0.000 0.218 99 G HA3 -0.302 3.658 3.960 0.000 0.000 0.218 99 G C 1.754 176.666 174.900 0.021 0.000 1.180 99 G CA 1.023 46.130 45.100 0.012 0.000 0.774 99 G HN 0.499 nan 8.290 nan 0.000 0.562 100 A N 0.530 123.363 122.820 0.022 0.000 1.858 100 A HA 0.035 4.355 4.320 0.000 0.000 0.216 100 A C 2.430 180.041 177.584 0.045 0.000 1.190 100 A CA 1.526 53.581 52.037 0.032 0.000 0.617 100 A CB -0.695 18.321 19.000 0.027 0.000 0.827 100 A HN 0.377 nan 8.150 nan 0.000 0.443 101 L N -0.400 120.845 121.223 0.036 0.000 2.010 101 L HA -0.327 4.013 4.340 0.000 0.000 0.219 101 L C 2.688 179.603 176.870 0.075 0.000 1.077 101 L CA 2.560 57.428 54.840 0.046 0.000 0.773 101 L CB -0.347 41.715 42.059 0.005 0.000 0.892 101 L HN 0.584 nan 8.230 nan 0.000 0.436 102 K N -1.117 119.307 120.400 0.041 0.000 2.020 102 K HA -0.224 4.096 4.320 0.000 0.000 0.212 102 K C 1.846 178.520 176.600 0.124 0.000 1.050 102 K CA 2.390 58.710 56.287 0.055 0.000 0.929 102 K CB -0.189 32.323 32.500 0.020 0.000 0.714 102 K HN 0.357 nan 8.250 nan 0.000 0.443 103 T N 1.342 115.951 114.554 0.092 0.000 2.737 103 T HA -0.079 4.271 4.350 0.000 0.000 0.265 103 T C 1.607 176.373 174.700 0.110 0.000 1.038 103 T CA 1.368 63.523 62.100 0.092 0.000 1.144 103 T CB -0.392 68.513 68.868 0.061 0.000 0.866 103 T HN 0.294 nan 8.240 nan 0.000 0.434 104 N N 0.938 119.702 118.700 0.107 0.000 2.104 104 N HA -0.072 4.668 4.740 0.000 0.000 0.190 104 N C 1.521 177.113 175.510 0.136 0.000 1.024 104 N CA 0.965 54.076 53.050 0.102 0.000 0.853 104 N CB -0.645 37.896 38.487 0.090 0.000 1.008 104 N HN 0.368 nan 8.380 nan 0.000 0.424 105 F N 2.097 122.073 119.950 0.042 0.000 2.051 105 F HA -0.142 4.385 4.527 0.000 0.000 0.296 105 F C 2.250 178.110 175.800 0.101 0.000 1.122 105 F CA 1.519 59.554 58.000 0.059 0.000 1.201 105 F CB -0.236 38.776 39.000 0.020 0.000 0.978 105 F HN 0.040 nan 8.300 nan 0.000 0.472 106 E N -0.652 119.695 120.200 0.245 0.000 2.160 106 E HA -0.209 4.141 4.350 0.000 0.000 0.195 106 E C 2.088 178.753 176.600 0.108 0.000 0.991 106 E CA 1.762 58.265 56.400 0.171 0.000 0.810 106 E CB -0.277 29.523 29.700 0.167 0.000 0.742 106 E HN 0.442 nan 8.360 nan 0.000 0.466 107 T N 0.992 115.588 114.554 0.070 0.000 2.701 107 T HA -0.134 4.216 4.350 0.000 0.000 0.263 107 T C 1.642 176.342 174.700 0.000 0.000 1.040 107 T CA 0.931 63.053 62.100 0.037 0.000 1.147 107 T CB -0.115 68.772 68.868 0.033 0.000 0.865 107 T HN 0.135 nan 8.240 nan 0.000 0.426 108 E N 0.241 120.422 120.200 -0.032 0.000 2.110 108 E HA -0.136 4.215 4.350 0.000 0.000 0.193 108 E C 1.959 178.500 176.600 -0.099 0.000 0.988 108 E CA 0.728 57.084 56.400 -0.073 0.000 0.804 108 E CB -0.278 29.368 29.700 -0.090 0.000 0.745 108 E HN 0.655 nan 8.360 nan 0.000 0.458 109 W N 2.204 123.309 121.300 -0.324 0.000 2.338 109 W HA -0.198 4.462 4.660 0.000 0.000 0.304 109 W C 1.398 177.827 176.519 -0.150 0.000 1.212 109 W CA 1.174 58.339 57.345 -0.301 0.000 1.264 109 W CB -0.177 29.060 29.460 -0.370 0.000 1.142 109 W HN 0.056 nan 8.180 nan 0.000 0.512 110 N N 1.043 119.689 118.700 -0.089 0.000 2.166 110 N HA -0.161 4.579 4.740 0.000 0.000 0.186 110 N C 1.813 177.204 175.510 -0.197 0.000 1.019 110 N CA 1.814 54.778 53.050 -0.143 0.000 0.856 110 N CB -0.951 37.530 38.487 -0.010 0.000 0.993 110 N HN 0.295 nan 8.380 nan 0.000 0.426 111 L N 0.554 121.684 121.223 -0.155 0.000 2.549 111 L HA -0.038 4.302 4.340 0.000 0.000 0.229 111 L C 0.522 177.278 176.870 -0.190 0.000 1.158 111 L CA 0.565 55.323 54.840 -0.138 0.000 0.842 111 L CB -0.345 41.659 42.059 -0.093 0.000 0.952 111 L HN 0.064 nan 8.230 nan 0.000 0.452 112 Q N 0.621 120.236 119.800 -0.308 0.000 2.260 112 Q HA 0.314 4.654 4.340 0.000 0.000 0.242 112 Q C -0.198 175.593 176.000 -0.349 0.000 0.932 112 Q CA 0.182 55.773 55.803 -0.354 0.000 0.891 112 Q CB 1.600 30.029 28.738 -0.516 0.000 1.222 112 Q HN -0.026 nan 8.270 nan 0.000 0.453 113 T N 2.314 116.711 114.554 -0.261 0.000 2.892 113 T HA 0.716 5.066 4.350 0.000 0.000 0.311 113 T C -0.092 174.500 174.700 -0.180 0.000 1.033 113 T CA -0.454 61.524 62.100 -0.204 0.000 0.991 113 T CB 0.330 69.119 68.868 -0.132 0.000 0.981 113 T HN 0.537 nan 8.240 nan 0.000 0.457 114 L N 0.000 121.109 121.223 -0.189 0.000 2.949 114 L HA 0.000 4.340 4.340 0.000 0.000 0.249 114 L CA 0.000 54.767 54.840 -0.122 0.000 0.813 114 L CB 0.000 42.007 42.059 -0.086 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502