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 2e2i_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 0.000 176.272 176.300 -0.046 0.000 1.140 1 M CA 0.000 55.279 55.300 -0.035 0.000 0.988 1 M CB 0.000 32.585 32.600 -0.025 0.000 1.302 2 N N 1.825 120.489 118.700 -0.061 0.000 2.236 2 N HA 0.315 5.055 4.740 0.000 0.000 0.196 2 N C 0.280 175.720 175.510 -0.116 0.000 1.114 2 N CA 0.544 53.547 53.050 -0.079 0.000 0.859 2 N CB 1.033 39.473 38.487 -0.078 0.000 0.982 2 N HN 0.454 nan 8.380 nan 0.000 0.493 3 A N 2.849 125.604 122.820 -0.109 0.000 2.548 3 A HA 0.214 4.534 4.320 0.000 0.000 0.247 3 A C -1.837 175.661 177.584 -0.142 0.000 1.067 3 A CA -0.511 51.447 52.037 -0.131 0.000 0.757 3 A CB -0.258 18.685 19.000 -0.095 0.000 0.996 3 A HN 0.054 nan 8.150 nan 0.000 0.504 4 P HA 0.374 nan 4.420 nan 0.000 0.296 4 P C -1.114 176.038 177.300 -0.246 0.000 1.306 4 P CA -0.623 62.360 63.100 -0.195 0.000 0.818 4 P CB 0.998 32.581 31.700 -0.194 0.000 0.969 5 D N 2.202 122.399 120.400 -0.338 0.000 2.478 5 D HA -0.039 4.601 4.640 0.000 0.000 0.234 5 D C 1.271 177.257 176.300 -0.522 0.000 1.154 5 D CA -0.285 53.448 54.000 -0.445 0.000 0.874 5 D CB 0.573 41.028 40.800 -0.575 0.000 1.198 5 D HN 0.166 nan 8.370 nan 0.000 0.455 6 R N 1.272 121.612 120.500 -0.266 0.000 2.189 6 R HA -0.080 4.260 4.340 0.000 0.000 0.223 6 R C 1.832 178.086 176.300 -0.076 0.000 1.092 6 R CA 0.610 56.654 56.100 -0.092 0.000 0.989 6 R CB -0.688 29.654 30.300 0.071 0.000 0.876 6 R HN 0.713 nan 8.270 nan 0.000 0.457 7 F N 0.861 120.760 119.950 -0.084 0.000 2.333 7 F HA 0.018 4.543 4.527 -0.002 0.000 0.300 7 F C 1.293 176.735 175.800 -0.596 0.000 1.083 7 F CA 0.399 58.107 58.000 -0.486 0.000 1.395 7 F CB -0.781 37.991 39.000 -0.380 0.000 1.056 7 F HN -0.095 nan 8.300 nan 0.000 0.529 8 E N 0.940 120.860 120.200 -0.468 0.000 2.533 8 E HA -0.034 4.316 4.350 0.000 0.000 0.203 8 E C 1.650 178.209 176.600 -0.070 0.000 1.101 8 E CA 0.207 56.484 56.400 -0.205 0.000 0.894 8 E CB -0.297 29.260 29.700 -0.239 0.000 0.843 8 E HN 0.595 nan 8.360 nan 0.000 0.552 9 L N -0.863 120.338 121.223 -0.037 0.000 2.513 9 L HA 0.102 4.443 4.340 0.000 0.000 0.222 9 L C 1.447 178.513 176.870 0.326 0.000 1.096 9 L CA 0.334 55.292 54.840 0.198 0.000 0.857 9 L CB -0.031 42.223 42.059 0.324 0.000 1.026 9 L HN 0.233 nan 8.230 nan 0.000 0.469 10 F N -3.321 116.702 119.950 0.122 0.000 2.835 10 F HA 0.364 4.892 4.527 0.002 0.000 0.341 10 F C 0.402 176.270 175.800 0.113 0.000 0.940 10 F CA -0.778 57.288 58.000 0.110 0.000 1.125 10 F CB 0.071 39.126 39.000 0.091 0.000 0.974 10 F HN -0.281 nan 8.300 nan 0.000 0.601 11 L N 3.195 124.251 121.223 -0.278 0.000 2.367 11 L HA 0.350 4.690 4.340 0.000 0.000 0.275 11 L C -0.497 176.367 176.870 -0.011 0.000 1.129 11 L CA -0.177 54.593 54.840 -0.117 0.000 0.839 11 L CB 1.082 43.037 42.059 -0.173 0.000 1.133 11 L HN 0.121 nan 8.230 nan 0.000 0.453 12 L N 3.668 124.898 121.223 0.011 0.000 2.276 12 L HA 0.475 4.815 4.340 0.000 0.000 0.286 12 L C 1.123 178.002 176.870 0.016 0.000 1.061 12 L CA 0.149 55.003 54.840 0.023 0.000 0.807 12 L CB 0.919 42.992 42.059 0.022 0.000 1.177 12 L HN 0.712 nan 8.230 nan 0.000 0.429 13 G N 1.341 110.156 108.800 0.025 0.000 2.608 13 G HA2 0.071 4.031 3.960 0.000 0.000 0.212 13 G HA3 0.071 4.031 3.960 0.000 0.000 0.212 13 G C -0.326 174.579 174.900 0.009 0.000 1.572 13 G CA -0.213 44.903 45.100 0.027 0.000 1.064 13 G HN 0.533 nan 8.290 nan 0.000 0.556 14 E N 0.005 120.209 120.200 0.006 0.000 2.130 14 E HA 0.459 4.809 4.350 0.000 0.000 0.284 14 E C 0.681 177.275 176.600 -0.009 0.000 1.018 14 E CA 0.348 56.746 56.400 -0.003 0.000 0.817 14 E CB 0.288 29.987 29.700 -0.002 0.000 1.078 14 E HN 1.093 nan 8.360 nan 0.000 0.396 15 G N 4.382 113.175 108.800 -0.012 0.000 2.393 15 G HA2 -0.301 3.660 3.960 0.000 0.000 0.299 15 G HA3 -0.301 3.660 3.960 0.000 0.000 0.299 15 G C -0.378 174.510 174.900 -0.019 0.000 0.990 15 G CA 0.624 45.715 45.100 -0.016 0.000 1.118 15 G HN 0.517 nan 8.290 nan 0.000 0.513 16 E N 0.073 120.263 120.200 -0.017 0.000 2.171 16 E HA 0.524 4.874 4.350 0.000 0.000 0.271 16 E C -0.112 176.474 176.600 -0.023 0.000 0.916 16 E CA -0.606 55.782 56.400 -0.020 0.000 0.774 16 E CB 1.528 31.222 29.700 -0.011 0.000 1.128 16 E HN 0.208 nan 8.360 nan 0.000 0.403 17 S N 2.046 117.725 115.700 -0.036 0.000 2.617 17 S HA 0.151 4.621 4.470 0.000 0.000 0.283 17 S C 0.970 175.539 174.600 -0.051 0.000 1.189 17 S CA -0.806 57.368 58.200 -0.044 0.000 1.036 17 S CB 1.564 64.729 63.200 -0.058 0.000 1.014 17 S HN 0.435 nan 8.310 nan 0.000 0.522 18 K N 0.627 120.997 120.400 -0.050 0.000 2.097 18 K HA 0.112 4.432 4.320 0.000 0.000 0.205 18 K C 0.059 176.574 176.600 -0.142 0.000 1.050 18 K CA 1.038 57.295 56.287 -0.049 0.000 0.938 18 K CB -0.137 32.352 32.500 -0.018 0.000 0.718 18 K HN 0.520 nan 8.250 nan 0.000 0.442 19 L N 1.123 122.235 121.223 -0.186 0.000 2.346 19 L HA 0.363 4.703 4.340 0.000 0.000 0.274 19 L C -0.337 176.409 176.870 -0.208 0.000 1.007 19 L CA -0.713 53.947 54.840 -0.301 0.000 0.818 19 L CB 2.012 43.859 42.059 -0.354 0.000 1.284 19 L HN -0.171 nan 8.230 nan 0.000 0.424 20 K N 2.592 122.861 120.400 -0.219 0.000 2.324 20 K HA 0.606 4.926 4.320 0.000 0.000 0.253 20 K C -1.584 174.929 176.600 -0.145 0.000 0.932 20 K CA -0.690 55.510 56.287 -0.146 0.000 0.799 20 K CB 2.152 34.587 32.500 -0.109 0.000 1.154 20 K HN 0.397 nan 8.250 nan 0.000 0.425 21 I N 2.793 123.300 120.570 -0.105 0.000 2.441 21 I HA 0.387 4.557 4.170 0.000 0.000 0.295 21 I C -1.373 174.713 176.117 -0.052 0.000 0.994 21 I CA -0.193 61.057 61.300 -0.083 0.000 1.144 21 I CB 1.684 39.637 38.000 -0.078 0.000 1.314 21 I HN 0.631 nan 8.210 nan 0.000 0.445 22 D N 8.201 128.580 120.400 -0.035 0.000 2.990 22 D HA 0.343 4.983 4.640 0.000 0.000 0.227 22 D C -2.747 173.549 176.300 -0.006 0.000 1.249 22 D CA -0.795 53.193 54.000 -0.020 0.000 0.891 22 D CB 2.817 43.607 40.800 -0.017 0.000 1.647 22 D HN 0.197 nan 8.370 nan 0.000 0.530 23 P HA 0.140 nan 4.420 nan 0.000 0.279 23 P C -0.450 176.853 177.300 0.006 0.000 1.239 23 P CA -0.302 62.799 63.100 0.001 0.000 0.789 23 P CB 1.572 33.271 31.700 -0.003 0.000 0.933 24 D N 1.033 121.440 120.400 0.012 0.000 2.255 24 D HA 0.077 4.717 4.640 0.000 0.000 0.249 24 D C 1.129 177.430 176.300 0.001 0.000 1.078 24 D CA 0.054 54.060 54.000 0.010 0.000 0.896 24 D CB 1.514 42.323 40.800 0.015 0.000 1.194 24 D HN 0.345 nan 8.370 nan 0.000 0.429 25 T N 1.204 115.756 114.554 -0.003 0.000 2.939 25 T HA -0.039 4.311 4.350 0.000 0.000 0.254 25 T C 1.624 176.317 174.700 -0.012 0.000 1.041 25 T CA 0.344 62.440 62.100 -0.006 0.000 1.142 25 T CB 0.163 69.028 68.868 -0.006 0.000 0.874 25 T HN 0.246 nan 8.240 nan 0.000 0.452 26 K N 2.459 122.849 120.400 -0.017 0.000 2.032 26 K HA 0.202 4.522 4.320 0.000 0.000 0.209 26 K C 1.279 177.857 176.600 -0.036 0.000 1.048 26 K CA 1.202 57.472 56.287 -0.028 0.000 0.927 26 K CB -0.683 31.795 32.500 -0.036 0.000 0.712 26 K HN 0.576 nan 8.250 nan 0.000 0.441 27 A N 2.756 125.551 122.820 -0.041 0.000 2.337 27 A HA 0.451 4.771 4.320 0.000 0.000 0.329 27 A C -2.473 175.100 177.584 -0.019 0.000 1.146 27 A CA -1.669 50.341 52.037 -0.044 0.000 0.800 27 A CB 0.883 19.835 19.000 -0.081 0.000 1.220 27 A HN -0.052 nan 8.150 nan 0.000 0.472 28 P HA 0.132 nan 4.420 nan 0.000 0.276 28 P C -0.170 177.139 177.300 0.015 0.000 1.230 28 P CA 0.133 63.234 63.100 0.002 0.000 0.776 28 P CB 0.650 32.352 31.700 0.003 0.000 0.888 29 N N 0.156 118.869 118.700 0.022 0.000 2.776 29 N HA -0.170 4.570 4.740 0.000 0.000 0.249 29 N C -1.156 174.385 175.510 0.052 0.000 1.111 29 N CA 1.089 54.163 53.050 0.039 0.000 0.711 29 N CB -1.527 36.990 38.487 0.050 0.000 1.065 29 N HN 0.669 nan 8.380 nan 0.000 0.556 30 A N -0.837 122.008 122.820 0.042 0.000 2.374 30 A HA 0.838 5.158 4.320 0.000 0.000 0.317 30 A C -0.475 177.142 177.584 0.054 0.000 1.094 30 A CA -0.369 51.705 52.037 0.061 0.000 0.765 30 A CB 2.259 21.288 19.000 0.047 0.000 1.268 30 A HN 0.219 nan 8.150 nan 0.000 0.438 31 V N 1.250 121.209 119.914 0.075 0.000 2.760 31 V HA 0.572 4.692 4.120 0.000 0.000 0.309 31 V C -0.909 175.232 176.094 0.079 0.000 1.077 31 V CA -0.531 61.803 62.300 0.057 0.000 0.910 31 V CB 1.977 33.825 31.823 0.042 0.000 1.008 31 V HN 1.108 nan 8.190 nan 0.000 0.424 32 V N 7.058 127.006 119.914 0.057 0.000 2.304 32 V HA 0.592 4.712 4.120 0.000 0.000 0.278 32 V C -0.416 175.694 176.094 0.027 0.000 1.018 32 V CA -0.242 62.100 62.300 0.070 0.000 0.814 32 V CB 0.964 32.832 31.823 0.074 0.000 1.021 32 V HN 0.689 nan 8.190 nan 0.000 0.440 33 I N 5.357 125.942 120.570 0.024 0.000 2.342 33 I HA 0.396 4.566 4.170 0.000 0.000 0.291 33 I C 0.351 176.410 176.117 -0.096 0.000 1.010 33 I CA -0.209 61.038 61.300 -0.087 0.000 1.308 33 I CB 1.460 39.355 38.000 -0.175 0.000 1.400 33 I HN 0.405 nan 8.210 nan 0.000 0.488 34 T N 6.589 121.047 114.554 -0.159 0.000 2.762 34 T HA 0.384 4.734 4.350 0.000 0.000 0.303 34 T C -0.259 174.301 174.700 -0.233 0.000 0.977 34 T CA -0.237 61.790 62.100 -0.122 0.000 0.961 34 T CB -0.190 68.634 68.868 -0.073 0.000 0.944 34 T HN 0.139 nan 8.240 nan 0.000 0.481 35 F N 3.401 123.075 119.950 -0.460 0.000 2.444 35 F HA 0.234 4.761 4.527 -0.000 0.000 0.360 35 F C 1.294 176.960 175.800 -0.225 0.000 1.106 35 F CA -0.654 57.076 58.000 -0.449 0.000 1.170 35 F CB 0.437 38.859 39.000 -0.963 0.000 1.113 35 F HN 0.380 nan 8.300 nan 0.000 0.521 36 E N 3.254 123.468 120.200 0.023 0.000 2.369 36 E HA 0.069 4.419 4.350 0.000 0.000 0.255 36 E C 0.255 176.939 176.600 0.139 0.000 1.172 36 E CA -0.480 55.960 56.400 0.066 0.000 0.932 36 E CB 0.465 30.180 29.700 0.025 0.000 1.040 36 E HN 0.296 nan 8.360 nan 0.000 0.454 37 K N 1.573 122.060 120.400 0.145 0.000 3.985 37 K HA -0.217 4.103 4.320 0.000 0.000 0.274 37 K C -0.043 176.692 176.600 0.225 0.000 0.799 37 K CA 1.045 57.441 56.287 0.181 0.000 0.661 37 K CB -1.099 31.495 32.500 0.157 0.000 1.778 37 K HN 0.366 nan 8.250 nan 0.000 0.429 38 E N 0.351 120.716 120.200 0.275 0.000 2.459 38 E HA 0.491 4.841 4.350 0.000 0.000 0.275 38 E C 0.113 176.874 176.600 0.269 0.000 0.987 38 E CA -0.520 56.066 56.400 0.309 0.000 0.828 38 E CB 1.738 31.730 29.700 0.486 0.000 1.428 38 E HN 0.305 nan 8.360 nan 0.000 0.457 39 D N -1.989 118.428 120.400 0.028 0.000 3.557 39 D HA 0.133 4.774 4.640 0.000 0.000 0.331 39 D C 0.957 176.898 176.300 -0.598 0.000 1.442 39 D CA -0.334 53.520 54.000 -0.243 0.000 0.971 39 D CB -0.129 40.612 40.800 -0.098 0.000 1.423 39 D HN 0.322 nan 8.370 nan 0.000 0.604 40 H N -0.116 118.808 119.070 -0.244 0.000 2.387 40 H HA -0.058 4.498 4.556 0.000 0.000 0.299 40 H C 1.516 176.635 175.328 -0.348 0.000 1.099 40 H CA 2.299 58.180 56.048 -0.277 0.000 1.315 40 H CB -0.594 29.134 29.762 -0.056 0.000 1.380 40 H HN 0.486 nan 8.280 nan 0.000 0.513 41 T N 1.024 115.501 114.554 -0.127 0.000 2.714 41 T HA -0.186 4.164 4.350 0.000 0.000 0.268 41 T C 2.280 176.847 174.700 -0.221 0.000 1.036 41 T CA 1.531 63.553 62.100 -0.131 0.000 1.148 41 T CB -0.231 68.589 68.868 -0.080 0.000 0.856 41 T HN 0.208 nan 8.240 nan 0.000 0.462 42 L N -0.401 120.609 121.223 -0.356 0.000 2.433 42 L HA 0.377 4.717 4.340 0.000 0.000 0.200 42 L C 2.721 179.207 176.870 -0.640 0.000 1.059 42 L CA 0.789 55.411 54.840 -0.362 0.000 0.835 42 L CB -0.664 41.290 42.059 -0.176 0.000 1.076 42 L HN 0.298 nan 8.230 nan 0.000 0.481 43 G N 0.222 108.216 108.800 -1.343 0.000 2.586 43 G HA2 -0.442 3.518 3.960 0.000 0.000 0.218 43 G HA3 -0.442 3.518 3.960 0.000 0.000 0.218 43 G C 1.317 175.388 174.900 -1.382 0.000 1.216 43 G CA 1.318 45.317 45.100 -1.835 0.000 0.786 43 G HN 0.415 nan 8.290 nan 0.000 0.583 44 N N 0.209 118.137 118.700 -1.287 0.000 2.094 44 N HA -0.116 4.624 4.740 0.000 0.000 0.191 44 N C 2.110 177.462 175.510 -0.264 0.000 1.023 44 N CA 1.362 54.121 53.050 -0.484 0.000 0.857 44 N CB -0.424 37.963 38.487 -0.167 0.000 1.013 44 N HN 0.241 nan 8.380 nan 0.000 0.426 45 L N 0.282 121.345 121.223 -0.267 0.000 2.083 45 L HA 0.069 4.409 4.340 0.000 0.000 0.209 45 L C 1.981 178.780 176.870 -0.119 0.000 1.083 45 L CA 1.349 56.097 54.840 -0.154 0.000 0.752 45 L CB -0.378 41.600 42.059 -0.134 0.000 0.899 45 L HN 0.278 nan 8.230 nan 0.000 0.433 46 I N -1.338 119.139 120.570 -0.155 0.000 2.400 46 I HA -0.162 4.008 4.170 0.000 0.000 0.248 46 I C 2.587 178.681 176.117 -0.038 0.000 1.109 46 I CA 0.609 61.867 61.300 -0.069 0.000 1.425 46 I CB -0.285 37.689 38.000 -0.044 0.000 1.094 46 I HN 0.213 nan 8.210 nan 0.000 0.425 47 R N 1.269 121.727 120.500 -0.069 0.000 2.152 47 R HA -0.149 4.191 4.340 0.000 0.000 0.232 47 R C 2.189 178.487 176.300 -0.003 0.000 1.117 47 R CA 1.416 57.516 56.100 0.001 0.000 0.981 47 R CB -0.079 30.273 30.300 0.087 0.000 0.870 47 R HN 0.349 nan 8.270 nan 0.000 0.451 48 A N 0.842 123.649 122.820 -0.022 0.000 1.897 48 A HA -0.098 4.222 4.320 0.000 0.000 0.215 48 A C 1.887 179.466 177.584 -0.009 0.000 1.181 48 A CA 1.002 53.031 52.037 -0.014 0.000 0.620 48 A CB -0.209 18.777 19.000 -0.023 0.000 0.821 48 A HN 0.253 nan 8.150 nan 0.000 0.443 49 E N -0.066 120.129 120.200 -0.008 0.000 2.107 49 E HA -0.027 4.323 4.350 0.000 0.000 0.191 49 E C 1.440 178.052 176.600 0.020 0.000 0.982 49 E CA 0.435 56.839 56.400 0.006 0.000 0.809 49 E CB -0.295 29.410 29.700 0.008 0.000 0.756 49 E HN 0.593 nan 8.360 nan 0.000 0.459 50 L N 1.040 122.278 121.223 0.025 0.000 2.821 50 L HA -0.102 4.239 4.340 0.000 0.000 0.254 50 L C 1.572 178.454 176.870 0.020 0.000 1.151 50 L CA 0.045 54.909 54.840 0.039 0.000 0.937 50 L CB 0.011 42.100 42.059 0.050 0.000 1.141 50 L HN 0.040 nan 8.230 nan 0.000 0.425 51 L N -1.808 119.420 121.223 0.008 0.000 2.885 51 L HA 0.170 4.510 4.340 0.000 0.000 0.251 51 L C 1.795 178.664 176.870 -0.001 0.000 1.071 51 L CA 0.473 55.312 54.840 -0.002 0.000 0.956 51 L CB 0.055 42.108 42.059 -0.009 0.000 1.483 51 L HN 0.120 nan 8.230 nan 0.000 0.525 52 N N 0.113 118.815 118.700 0.002 0.000 2.381 52 N HA -0.099 4.641 4.740 0.000 0.000 0.182 52 N C 0.054 175.563 175.510 -0.002 0.000 1.025 52 N CA 0.544 53.595 53.050 0.001 0.000 0.888 52 N CB -0.289 38.200 38.487 0.004 0.000 0.965 52 N HN 0.323 nan 8.380 nan 0.000 0.438 53 D N 0.484 120.884 120.400 -0.000 0.000 2.317 53 D HA 0.127 4.768 4.640 0.000 0.000 0.252 53 D C 0.675 176.951 176.300 -0.040 0.000 1.174 53 D CA -0.137 53.854 54.000 -0.015 0.000 0.866 53 D CB 0.723 41.525 40.800 0.003 0.000 1.127 53 D HN -0.088 nan 8.370 nan 0.000 0.467 54 R N 2.478 122.943 120.500 -0.057 0.000 2.323 54 R HA 0.078 4.418 4.340 0.000 0.000 0.198 54 R C 0.918 177.157 176.300 -0.101 0.000 0.988 54 R CA 0.490 56.554 56.100 -0.060 0.000 1.041 54 R CB 0.381 30.653 30.300 -0.047 0.000 0.926 54 R HN 0.295 nan 8.270 nan 0.000 0.476 55 K N 0.405 120.697 120.400 -0.180 0.000 2.358 55 K HA 0.112 4.432 4.320 0.000 0.000 0.197 55 K C 0.103 176.572 176.600 -0.219 0.000 1.025 55 K CA 0.193 56.299 56.287 -0.301 0.000 1.104 55 K CB 1.081 33.178 32.500 -0.672 0.000 0.855 55 K HN -0.003 nan 8.250 nan 0.000 0.531 56 V N -0.585 119.277 119.914 -0.087 0.000 2.483 56 V HA 0.329 4.449 4.120 0.000 0.000 0.295 56 V C 1.057 177.178 176.094 0.046 0.000 1.035 56 V CA -0.755 61.557 62.300 0.020 0.000 0.896 56 V CB 1.490 33.349 31.823 0.060 0.000 0.986 56 V HN -0.031 nan 8.190 nan 0.000 0.447 57 L N 2.317 123.600 121.223 0.099 0.000 2.470 57 L HA 0.503 4.844 4.340 0.000 0.000 0.219 57 L C 0.133 177.137 176.870 0.222 0.000 1.071 57 L CA 0.807 55.722 54.840 0.124 0.000 0.850 57 L CB 0.403 42.530 42.059 0.114 0.000 1.040 57 L HN 0.636 nan 8.230 nan 0.000 0.475 58 F N 0.551 120.528 119.950 0.045 0.000 2.615 58 F HA 0.689 5.216 4.527 -0.000 0.000 0.312 58 F C -1.428 174.414 175.800 0.070 0.000 1.119 58 F CA -0.927 57.104 58.000 0.052 0.000 0.979 58 F CB 1.627 40.656 39.000 0.048 0.000 1.266 58 F HN -0.263 nan 8.300 nan 0.000 0.444 59 A N 4.255 126.621 122.820 -0.756 0.000 2.509 59 A HA 0.909 5.229 4.320 0.000 0.000 0.282 59 A C -1.780 175.493 177.584 -0.517 0.000 1.054 59 A CA 0.141 51.928 52.037 -0.418 0.000 0.820 59 A CB 0.786 19.692 19.000 -0.157 0.000 1.333 59 A HN 1.872 nan 8.150 nan 0.000 0.409 60 A N 1.665 124.295 122.820 -0.316 0.000 2.577 60 A HA 0.783 5.103 4.320 0.000 0.000 0.297 60 A C -1.262 176.401 177.584 0.132 0.000 1.060 60 A CA -0.402 51.559 52.037 -0.126 0.000 0.697 60 A CB 0.763 19.617 19.000 -0.244 0.000 1.281 60 A HN 2.079 nan 8.150 nan 0.000 0.402 61 Y N 0.379 120.701 120.300 0.036 0.000 2.512 61 Y HA 0.848 5.398 4.550 -0.000 0.000 0.348 61 Y C -0.606 175.362 175.900 0.112 0.000 0.990 61 Y CA -0.956 57.224 58.100 0.133 0.000 1.033 61 Y CB 1.870 40.420 38.460 0.151 0.000 1.259 61 Y HN 0.781 nan 8.280 nan 0.000 0.461 62 K N 2.236 122.681 120.400 0.074 0.000 2.523 62 K HA 0.629 4.949 4.320 0.000 0.000 0.257 62 K C -1.668 175.019 176.600 0.146 0.000 0.932 62 K CA -1.175 55.077 56.287 -0.059 0.000 0.812 62 K CB 2.610 35.100 32.500 -0.017 0.000 1.326 62 K HN 0.739 nan 8.250 nan 0.000 0.433 63 V N -0.208 119.765 119.914 0.097 0.000 2.353 63 V HA 0.178 4.298 4.120 0.000 0.000 0.264 63 V C 1.239 177.411 176.094 0.131 0.000 1.049 63 V CA -0.295 62.088 62.300 0.138 0.000 0.896 63 V CB 0.762 32.616 31.823 0.051 0.000 1.025 63 V HN 1.082 nan 8.190 nan 0.000 0.475 64 E N 3.064 123.363 120.200 0.166 0.000 2.114 64 E HA -0.217 4.134 4.350 0.000 0.000 0.199 64 E C 0.473 177.196 176.600 0.206 0.000 1.008 64 E CA 2.142 58.641 56.400 0.165 0.000 0.810 64 E CB 0.052 29.856 29.700 0.173 0.000 0.739 64 E HN 0.965 nan 8.360 nan 0.000 0.456 65 H N -2.905 116.252 119.070 0.145 0.000 3.029 65 H HA 0.170 4.727 4.556 0.000 0.000 0.358 65 H C -2.144 173.246 175.328 0.104 0.000 1.129 65 H CA -1.539 54.573 56.048 0.107 0.000 1.230 65 H CB 2.130 32.016 29.762 0.207 0.000 1.827 65 H HN -0.168 nan 8.280 nan 0.000 0.530 66 P HA -0.099 nan 4.420 nan 0.000 0.221 66 P C 1.320 178.734 177.300 0.188 0.000 1.150 66 P CA 1.042 64.156 63.100 0.023 0.000 0.800 66 P CB 0.189 31.816 31.700 -0.122 0.000 0.787 67 F N -0.746 119.308 119.950 0.174 0.000 2.161 67 F HA -0.121 4.408 4.527 0.002 0.000 0.300 67 F C 1.027 176.602 175.800 -0.376 0.000 1.089 67 F CA 0.298 58.188 58.000 -0.183 0.000 1.282 67 F CB -0.276 38.419 39.000 -0.508 0.000 1.010 67 F HN -0.191 nan 8.300 nan 0.000 0.485 68 F N -0.362 119.790 119.950 0.338 0.000 2.421 68 F HA 0.499 5.026 4.527 -0.001 0.000 0.337 68 F C 0.361 176.264 175.800 0.170 0.000 1.105 68 F CA -1.323 56.791 58.000 0.189 0.000 1.049 68 F CB 0.862 39.948 39.000 0.143 0.000 1.139 68 F HN -0.335 nan 8.300 nan 0.000 0.479 69 A N 4.993 128.001 122.820 0.312 0.000 2.437 69 A HA 0.639 4.960 4.320 0.000 0.000 0.303 69 A C 0.019 177.753 177.584 0.249 0.000 1.324 69 A CA -0.318 51.867 52.037 0.247 0.000 0.983 69 A CB -0.370 18.756 19.000 0.209 0.000 1.142 69 A HN 0.927 nan 8.150 nan 0.000 0.541 70 R N 1.136 121.794 120.500 0.264 0.000 2.728 70 R HA 0.794 5.134 4.340 0.000 0.000 0.274 70 R C -1.276 175.232 176.300 0.346 0.000 1.030 70 R CA -0.807 55.440 56.100 0.244 0.000 0.876 70 R CB 1.057 31.448 30.300 0.151 0.000 1.259 70 R HN 0.975 nan 8.270 nan 0.000 0.468 71 F N -1.573 118.462 119.950 0.142 0.000 2.703 71 F HA 0.583 5.110 4.527 -0.000 0.000 0.308 71 F C -1.826 174.104 175.800 0.217 0.000 1.126 71 F CA -1.155 56.928 58.000 0.138 0.000 0.959 71 F CB 2.003 41.049 39.000 0.076 0.000 1.297 71 F HN 0.369 nan 8.300 nan 0.000 0.441 72 K N 2.976 123.561 120.400 0.308 0.000 2.274 72 K HA 0.611 4.931 4.320 0.000 0.000 0.262 72 K C -1.780 175.019 176.600 0.333 0.000 0.961 72 K CA -0.974 55.441 56.287 0.213 0.000 0.833 72 K CB 2.381 34.977 32.500 0.160 0.000 1.102 72 K HN 0.695 nan 8.250 nan 0.000 0.436 73 L N 3.889 125.302 121.223 0.317 0.000 2.280 73 L HA 0.359 4.699 4.340 0.000 0.000 0.287 73 L C -0.539 176.481 176.870 0.251 0.000 1.023 73 L CA -0.290 54.758 54.840 0.347 0.000 0.819 73 L CB 1.009 43.336 42.059 0.447 0.000 1.212 73 L HN 0.542 nan 8.230 nan 0.000 0.420 74 R N 5.961 126.603 120.500 0.237 0.000 2.338 74 R HA 0.740 5.080 4.340 0.000 0.000 0.317 74 R C -1.501 174.954 176.300 0.258 0.000 0.968 74 R CA -0.507 55.744 56.100 0.253 0.000 0.849 74 R CB 0.825 31.329 30.300 0.340 0.000 1.128 74 R HN 0.750 nan 8.270 nan 0.000 0.448 75 I N 3.142 123.853 120.570 0.234 0.000 2.545 75 I HA 0.316 4.486 4.170 0.000 0.000 0.292 75 I C -0.800 175.455 176.117 0.230 0.000 1.040 75 I CA -0.885 60.547 61.300 0.220 0.000 1.068 75 I CB 2.244 40.341 38.000 0.162 0.000 1.251 75 I HN 0.601 nan 8.210 nan 0.000 0.424 76 Q N 4.653 124.607 119.800 0.257 0.000 2.292 76 Q HA 0.583 4.923 4.340 0.000 0.000 0.270 76 Q C -1.240 174.867 176.000 0.178 0.000 1.024 76 Q CA -0.552 55.372 55.803 0.201 0.000 0.768 76 Q CB 2.034 30.893 28.738 0.202 0.000 1.250 76 Q HN 0.817 nan 8.270 nan 0.000 0.447 77 T N -0.054 114.599 114.554 0.165 0.000 2.932 77 T HA 0.593 4.943 4.350 0.000 0.000 0.289 77 T C 0.153 174.933 174.700 0.133 0.000 1.039 77 T CA -0.660 61.552 62.100 0.186 0.000 1.024 77 T CB 1.376 70.454 68.868 0.350 0.000 1.090 77 T HN 0.620 nan 8.240 nan 0.000 0.496 78 T N -0.130 114.481 114.554 0.094 0.000 2.926 78 T HA 0.228 4.579 4.350 0.000 0.000 0.307 78 T C 0.302 175.060 174.700 0.097 0.000 1.059 78 T CA -0.815 61.322 62.100 0.063 0.000 1.122 78 T CB 0.272 69.146 68.868 0.010 0.000 0.972 78 T HN 0.811 nan 8.240 nan 0.000 0.545 79 E N 0.703 120.944 120.200 0.068 0.000 2.653 79 E HA 0.101 4.451 4.350 0.000 0.000 0.264 79 E C 1.481 178.132 176.600 0.084 0.000 0.949 79 E CA 1.251 57.691 56.400 0.066 0.000 0.953 79 E CB -0.432 29.293 29.700 0.042 0.000 0.925 79 E HN 1.099 nan 8.360 nan 0.000 0.475 80 G N 3.278 112.129 108.800 0.086 0.000 2.199 80 G HA2 -0.331 3.629 3.960 0.000 0.000 0.254 80 G HA3 -0.331 3.629 3.960 0.000 0.000 0.254 80 G C -0.404 174.589 174.900 0.155 0.000 0.982 80 G CA 0.466 45.623 45.100 0.094 0.000 0.632 80 G HN 0.575 nan 8.290 nan 0.000 0.529 81 Y N 1.657 121.968 120.300 0.017 0.000 2.331 81 Y HA 0.592 5.142 4.550 0.000 0.000 0.338 81 Y C -0.093 175.819 175.900 0.021 0.000 0.992 81 Y CA -1.391 56.721 58.100 0.020 0.000 1.121 81 Y CB 1.533 40.007 38.460 0.024 0.000 1.184 81 Y HN 0.147 nan 8.280 nan 0.000 0.469 82 D N 7.470 127.727 120.400 -0.240 0.000 2.264 82 D HA 0.255 4.895 4.640 0.000 0.000 0.250 82 D C -1.660 174.498 176.300 -0.238 0.000 1.113 82 D CA -2.054 51.839 54.000 -0.177 0.000 0.871 82 D CB 1.667 42.373 40.800 -0.156 0.000 1.167 82 D HN 0.295 nan 8.370 nan 0.000 0.447 83 P HA -0.172 nan 4.420 nan 0.000 0.216 83 P C 0.715 177.994 177.300 -0.036 0.000 1.153 83 P CA 1.187 64.290 63.100 0.004 0.000 0.848 83 P CB 0.240 31.971 31.700 0.052 0.000 0.787 84 K N -0.311 120.053 120.400 -0.059 0.000 2.218 84 K HA -0.155 4.165 4.320 0.000 0.000 0.205 84 K C 1.686 178.238 176.600 -0.080 0.000 1.046 84 K CA 1.366 57.619 56.287 -0.058 0.000 0.933 84 K CB -0.426 32.036 32.500 -0.063 0.000 0.728 84 K HN 0.196 nan 8.250 nan 0.000 0.454 85 D N 0.251 120.552 120.400 -0.165 0.000 2.249 85 D HA -0.011 4.629 4.640 0.000 0.000 0.205 85 D C 1.789 178.006 176.300 -0.138 0.000 0.962 85 D CA 0.707 54.585 54.000 -0.203 0.000 0.860 85 D CB 0.161 40.738 40.800 -0.372 0.000 0.955 85 D HN 0.180 nan 8.370 nan 0.000 0.505 86 A N 0.752 123.513 122.820 -0.098 0.000 1.968 86 A HA -0.081 4.239 4.320 0.000 0.000 0.217 86 A C 2.134 179.788 177.584 0.118 0.000 1.169 86 A CA 0.647 52.781 52.037 0.162 0.000 0.638 86 A CB -0.402 18.798 19.000 0.335 0.000 0.812 86 A HN 0.207 nan 8.150 nan 0.000 0.446 87 L N -0.350 120.916 121.223 0.072 0.000 2.072 87 L HA -0.045 4.295 4.340 0.000 0.000 0.205 87 L C 2.232 179.139 176.870 0.062 0.000 1.079 87 L CA 1.918 56.807 54.840 0.081 0.000 0.752 87 L CB -0.356 41.751 42.059 0.079 0.000 0.906 87 L HN 0.256 nan 8.230 nan 0.000 0.436 88 K N -0.289 120.128 120.400 0.030 0.000 2.009 88 K HA -0.199 4.122 4.320 0.000 0.000 0.210 88 K C 2.014 178.636 176.600 0.037 0.000 1.049 88 K CA 2.073 58.373 56.287 0.022 0.000 0.929 88 K CB -0.438 32.059 32.500 -0.006 0.000 0.714 88 K HN 0.505 nan 8.250 nan 0.000 0.440 89 N N 0.332 119.061 118.700 0.049 0.000 2.069 89 N HA -0.190 4.550 4.740 0.000 0.000 0.191 89 N C 1.923 177.472 175.510 0.066 0.000 1.031 89 N CA 1.001 54.092 53.050 0.068 0.000 0.852 89 N CB -0.122 38.435 38.487 0.116 0.000 1.018 89 N HN 0.198 nan 8.380 nan 0.000 0.423 90 A N 0.837 123.702 122.820 0.076 0.000 1.883 90 A HA -0.190 4.130 4.320 0.000 0.000 0.217 90 A C 2.599 180.213 177.584 0.051 0.000 1.186 90 A CA 1.258 53.335 52.037 0.065 0.000 0.624 90 A CB -1.030 18.015 19.000 0.076 0.000 0.822 90 A HN 0.487 nan 8.150 nan 0.000 0.444 91 C N -0.517 118.816 119.300 0.055 0.000 2.429 91 C HA -0.088 4.372 4.460 0.000 0.000 0.277 91 C C 2.742 177.754 174.990 0.036 0.000 1.262 91 C CA 1.133 60.181 59.018 0.049 0.000 1.733 91 C CB -1.465 26.309 27.740 0.058 0.000 2.010 91 C HN 0.636 nan 8.230 nan 0.000 0.483 92 N N 0.474 119.194 118.700 0.034 0.000 2.106 92 N HA -0.110 4.630 4.740 0.000 0.000 0.188 92 N C 1.991 177.516 175.510 0.024 0.000 1.029 92 N CA 1.272 54.338 53.050 0.027 0.000 0.848 92 N CB -0.590 37.913 38.487 0.027 0.000 1.007 92 N HN 0.403 nan 8.380 nan 0.000 0.423 93 S N 1.095 116.812 115.700 0.028 0.000 2.372 93 S HA -0.111 4.359 4.470 0.000 0.000 0.227 93 S C 2.088 176.697 174.600 0.016 0.000 1.044 93 S CA 0.983 59.197 58.200 0.023 0.000 1.050 93 S CB -0.267 62.949 63.200 0.026 0.000 0.901 93 S HN 0.239 nan 8.310 nan 0.000 0.447 94 I N 0.758 121.337 120.570 0.014 0.000 2.208 94 I HA -0.216 3.954 4.170 0.000 0.000 0.245 94 I C 1.997 178.116 176.117 0.004 0.000 1.097 94 I CA 1.302 62.605 61.300 0.005 0.000 1.363 94 I CB -0.365 37.636 38.000 0.003 0.000 1.051 94 I HN 0.323 nan 8.210 nan 0.000 0.413 95 I N 0.460 121.035 120.570 0.009 0.000 2.202 95 I HA -0.270 3.900 4.170 0.000 0.000 0.242 95 I C 2.220 178.342 176.117 0.008 0.000 1.091 95 I CA 1.150 62.454 61.300 0.008 0.000 1.368 95 I CB -0.658 37.349 38.000 0.012 0.000 1.058 95 I HN 0.238 nan 8.210 nan 0.000 0.410 96 N N 1.497 120.204 118.700 0.011 0.000 2.036 96 N HA -0.214 4.526 4.740 0.000 0.000 0.195 96 N C 1.782 177.298 175.510 0.011 0.000 1.037 96 N CA 1.552 54.609 53.050 0.012 0.000 0.855 96 N CB -0.377 38.119 38.487 0.015 0.000 1.033 96 N HN 0.372 nan 8.380 nan 0.000 0.423 97 K N 0.471 120.876 120.400 0.009 0.000 2.103 97 K HA -0.038 4.282 4.320 0.000 0.000 0.207 97 K C 2.143 178.746 176.600 0.005 0.000 1.048 97 K CA 0.744 57.036 56.287 0.007 0.000 0.930 97 K CB -0.190 32.312 32.500 0.004 0.000 0.716 97 K HN 0.147 nan 8.250 nan 0.000 0.444 98 L N -0.135 121.088 121.223 -0.001 0.000 2.109 98 L HA -0.088 4.252 4.340 0.000 0.000 0.207 98 L C 2.526 179.396 176.870 -0.000 0.000 1.086 98 L CA 1.206 56.042 54.840 -0.008 0.000 0.760 98 L CB -0.658 41.392 42.059 -0.015 0.000 0.910 98 L HN 0.349 nan 8.230 nan 0.000 0.437 99 G N -0.522 108.282 108.800 0.006 0.000 2.432 99 G HA2 -0.240 3.720 3.960 0.000 0.000 0.219 99 G HA3 -0.240 3.720 3.960 0.000 0.000 0.219 99 G C 1.724 176.637 174.900 0.021 0.000 1.135 99 G CA 0.843 45.950 45.100 0.012 0.000 0.767 99 G HN 0.468 nan 8.290 nan 0.000 0.550 100 A N 0.633 123.466 122.820 0.022 0.000 1.841 100 A HA 0.120 4.440 4.320 0.000 0.000 0.214 100 A C 2.356 179.966 177.584 0.044 0.000 1.195 100 A CA 1.255 53.310 52.037 0.031 0.000 0.611 100 A CB -0.679 18.337 19.000 0.026 0.000 0.835 100 A HN 0.323 nan 8.150 nan 0.000 0.443 101 L N -0.306 120.939 121.223 0.037 0.000 1.991 101 L HA -0.345 3.995 4.340 0.000 0.000 0.221 101 L C 2.698 179.617 176.870 0.082 0.000 1.079 101 L CA 2.676 57.546 54.840 0.049 0.000 0.778 101 L CB -0.404 41.661 42.059 0.010 0.000 0.893 101 L HN 0.594 nan 8.230 nan 0.000 0.437 102 K N -1.170 119.259 120.400 0.048 0.000 2.044 102 K HA -0.218 4.102 4.320 0.000 0.000 0.210 102 K C 1.787 178.455 176.600 0.113 0.000 1.049 102 K CA 2.346 58.670 56.287 0.062 0.000 0.927 102 K CB -0.121 32.392 32.500 0.023 0.000 0.713 102 K HN 0.393 nan 8.250 nan 0.000 0.443 103 T N 1.078 115.682 114.554 0.084 0.000 2.770 103 T HA -0.054 4.296 4.350 0.000 0.000 0.263 103 T C 1.572 176.329 174.700 0.095 0.000 1.039 103 T CA 1.194 63.342 62.100 0.080 0.000 1.142 103 T CB -0.334 68.566 68.868 0.053 0.000 0.868 103 T HN 0.280 nan 8.240 nan 0.000 0.435 104 N N 0.870 119.629 118.700 0.099 0.000 2.149 104 N HA -0.049 4.692 4.740 0.000 0.000 0.188 104 N C 1.539 177.129 175.510 0.132 0.000 1.019 104 N CA 0.933 54.041 53.050 0.097 0.000 0.857 104 N CB -0.508 38.033 38.487 0.089 0.000 0.997 104 N HN 0.358 nan 8.380 nan 0.000 0.426 105 F N 2.020 121.994 119.950 0.039 0.000 2.113 105 F HA -0.079 4.449 4.527 0.000 0.000 0.297 105 F C 2.224 178.085 175.800 0.103 0.000 1.103 105 F CA 1.279 59.314 58.000 0.059 0.000 1.248 105 F CB -0.103 38.912 39.000 0.025 0.000 0.999 105 F HN 0.006 nan 8.300 nan 0.000 0.475 106 E N -0.696 119.624 120.200 0.199 0.000 2.153 106 E HA -0.186 4.165 4.350 0.000 0.000 0.194 106 E C 2.055 178.701 176.600 0.076 0.000 0.988 106 E CA 1.710 58.196 56.400 0.143 0.000 0.811 106 E CB -0.203 29.585 29.700 0.146 0.000 0.746 106 E HN 0.366 nan 8.360 nan 0.000 0.466 107 T N 0.672 115.252 114.554 0.043 0.000 2.821 107 T HA -0.102 4.248 4.350 0.000 0.000 0.267 107 T C 1.561 176.244 174.700 -0.029 0.000 1.046 107 T CA 0.827 62.936 62.100 0.015 0.000 1.139 107 T CB -0.007 68.873 68.868 0.020 0.000 0.871 107 T HN 0.092 nan 8.240 nan 0.000 0.454 108 E N 0.047 120.202 120.200 -0.075 0.000 2.112 108 E HA -0.051 4.299 4.350 0.000 0.000 0.190 108 E C 1.905 178.406 176.600 -0.164 0.000 0.979 108 E CA 0.375 56.699 56.400 -0.128 0.000 0.814 108 E CB -0.223 29.386 29.700 -0.152 0.000 0.762 108 E HN 0.628 nan 8.360 nan 0.000 0.460 109 W N 2.345 123.385 121.300 -0.433 0.000 2.335 109 W HA -0.189 4.472 4.660 0.001 0.000 0.311 109 W C 1.218 177.632 176.519 -0.175 0.000 1.213 109 W CA 1.170 58.298 57.345 -0.361 0.000 1.274 109 W CB -0.183 29.050 29.460 -0.378 0.000 1.148 109 W HN 0.043 nan 8.180 nan 0.000 0.498 110 N N 1.055 119.703 118.700 -0.086 0.000 2.519 110 N HA -0.117 4.623 4.740 0.000 0.000 0.186 110 N C 1.260 176.666 175.510 -0.173 0.000 1.062 110 N CA 1.071 54.041 53.050 -0.133 0.000 0.910 110 N CB -0.535 37.948 38.487 -0.007 0.000 0.958 110 N HN 0.293 nan 8.380 nan 0.000 0.445 111 L N 0.665 121.786 121.223 -0.171 0.000 2.783 111 L HA 0.150 4.490 4.340 0.000 0.000 0.236 111 L C 0.185 176.938 176.870 -0.196 0.000 1.225 111 L CA 0.043 54.793 54.840 -0.150 0.000 1.026 111 L CB 0.118 42.116 42.059 -0.100 0.000 1.314 111 L HN -0.061 nan 8.230 nan 0.000 0.489 112 Q N 0.021 119.636 119.800 -0.309 0.000 2.445 112 Q HA 0.603 4.943 4.340 0.000 0.000 0.281 112 Q C -0.268 175.535 176.000 -0.328 0.000 1.101 112 Q CA -0.309 55.297 55.803 -0.329 0.000 0.833 112 Q CB 2.585 31.062 28.738 -0.434 0.000 1.416 112 Q HN 0.112 nan 8.270 nan 0.000 0.451 113 T N -1.682 112.720 114.554 -0.254 0.000 2.916 113 T HA 0.714 5.064 4.350 0.000 0.000 0.292 113 T C -0.082 174.510 174.700 -0.181 0.000 1.055 113 T CA -0.804 61.173 62.100 -0.205 0.000 1.009 113 T CB 1.758 70.547 68.868 -0.132 0.000 1.118 113 T HN 0.595 nan 8.240 nan 0.000 0.497 114 L N 0.000 121.140 121.223 -0.139 0.000 2.949 114 L HA 0.000 4.340 4.340 0.000 0.000 0.249 114 L CA 0.000 54.786 54.840 -0.090 0.000 0.813 114 L CB 0.000 42.025 42.059 -0.057 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502