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 3m4o_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 0.000 176.261 176.300 -0.065 0.000 1.140 1 M CA 0.000 55.268 55.300 -0.054 0.000 0.988 1 M CB 0.000 32.575 32.600 -0.041 0.000 1.302 2 N N 1.388 120.038 118.700 -0.084 0.000 2.299 2 N HA 0.235 4.976 4.740 0.000 0.000 0.187 2 N C 0.489 175.915 175.510 -0.140 0.000 1.099 2 N CA 0.477 53.468 53.050 -0.099 0.000 0.867 2 N CB 0.861 39.288 38.487 -0.099 0.000 0.974 2 N HN 0.344 nan 8.380 nan 0.000 0.477 3 A N 3.185 125.916 122.820 -0.148 0.000 2.540 3 A HA 0.220 4.541 4.320 0.000 0.000 0.239 3 A C -1.714 175.762 177.584 -0.180 0.000 1.061 3 A CA -0.530 51.396 52.037 -0.184 0.000 0.758 3 A CB -0.204 18.705 19.000 -0.152 0.000 0.991 3 A HN 0.088 nan 8.150 nan 0.000 0.502 4 P HA 0.445 nan 4.420 nan 0.000 0.280 4 P C -0.918 176.217 177.300 -0.274 0.000 1.272 4 P CA -0.631 62.331 63.100 -0.230 0.000 0.819 4 P CB 0.603 32.162 31.700 -0.235 0.000 1.122 5 D N 0.003 120.160 120.400 -0.405 0.000 2.361 5 D HA 0.105 4.745 4.640 0.000 0.000 0.239 5 D C 1.635 177.643 176.300 -0.487 0.000 1.200 5 D CA -0.262 53.425 54.000 -0.521 0.000 0.915 5 D CB 0.664 40.847 40.800 -1.028 0.000 1.170 5 D HN 0.163 nan 8.370 nan 0.000 0.444 6 R N 0.842 121.157 120.500 -0.310 0.000 2.119 6 R HA -0.045 4.295 4.340 0.000 0.000 0.222 6 R C 1.954 178.141 176.300 -0.188 0.000 1.088 6 R CA 0.503 56.510 56.100 -0.155 0.000 0.984 6 R CB -0.551 29.754 30.300 0.008 0.000 0.884 6 R HN 0.637 nan 8.270 nan 0.000 0.447 7 F N 1.518 121.367 119.950 -0.169 0.000 2.664 7 F HA 0.009 4.535 4.527 -0.003 0.000 0.297 7 F C 0.893 176.338 175.800 -0.592 0.000 1.164 7 F CA 0.404 58.102 58.000 -0.504 0.000 1.472 7 F CB -0.663 38.170 39.000 -0.279 0.000 1.108 7 F HN -0.082 nan 8.300 nan 0.000 0.596 8 E N 0.672 120.585 120.200 -0.478 0.000 2.485 8 E HA 0.087 4.437 4.350 0.000 0.000 0.194 8 E C 1.543 178.039 176.600 -0.173 0.000 1.098 8 E CA -0.004 56.244 56.400 -0.254 0.000 0.878 8 E CB -0.165 29.380 29.700 -0.259 0.000 0.939 8 E HN 0.558 nan 8.360 nan 0.000 0.503 9 L N -0.255 120.817 121.223 -0.252 0.000 2.640 9 L HA 0.160 4.500 4.340 0.000 0.000 0.230 9 L C 0.682 177.646 176.870 0.157 0.000 1.123 9 L CA 0.257 55.097 54.840 -0.000 0.000 0.900 9 L CB 0.157 42.305 42.059 0.148 0.000 1.146 9 L HN 0.292 nan 8.230 nan 0.000 0.484 10 F N -3.974 116.037 119.950 0.101 0.000 3.146 10 F HA 0.314 4.842 4.527 0.001 0.000 0.395 10 F C -0.414 175.446 175.800 0.100 0.000 1.103 10 F CA -0.816 57.238 58.000 0.090 0.000 0.950 10 F CB -0.088 38.952 39.000 0.067 0.000 1.495 10 F HN -0.277 nan 8.300 nan 0.000 0.521 11 L N 2.941 124.014 121.223 -0.250 0.000 2.282 11 L HA 0.580 4.921 4.340 0.000 0.000 0.288 11 L C -0.394 176.482 176.870 0.010 0.000 1.033 11 L CA -0.625 54.176 54.840 -0.065 0.000 0.807 11 L CB 1.361 43.359 42.059 -0.101 0.000 1.209 11 L HN 0.061 nan 8.230 nan 0.000 0.423 12 L N 2.859 124.106 121.223 0.039 0.000 2.371 12 L HA 0.510 4.850 4.340 0.000 0.000 0.272 12 L C 1.052 177.944 176.870 0.037 0.000 1.124 12 L CA 0.476 55.341 54.840 0.041 0.000 0.816 12 L CB 0.879 42.962 42.059 0.040 0.000 1.129 12 L HN 0.689 nan 8.230 nan 0.000 0.448 13 G N 1.149 109.973 108.800 0.040 0.000 2.582 13 G HA2 0.267 4.228 3.960 0.000 0.000 0.232 13 G HA3 0.267 4.228 3.960 0.000 0.000 0.232 13 G C -0.624 174.290 174.900 0.022 0.000 1.458 13 G CA -0.470 44.654 45.100 0.041 0.000 1.062 13 G HN 0.597 nan 8.290 nan 0.000 0.566 14 E N -0.324 119.887 120.200 0.018 0.000 2.089 14 E HA 0.444 4.794 4.350 0.000 0.000 0.284 14 E C 0.753 177.354 176.600 0.002 0.000 1.023 14 E CA 0.690 57.095 56.400 0.008 0.000 0.819 14 E CB 0.853 30.557 29.700 0.007 0.000 1.076 14 E HN 0.850 nan 8.360 nan 0.000 0.396 15 G N 3.520 112.319 108.800 -0.002 0.000 2.234 15 G HA2 -0.290 3.670 3.960 0.000 0.000 0.235 15 G HA3 -0.290 3.670 3.960 0.000 0.000 0.235 15 G C 0.041 174.935 174.900 -0.010 0.000 0.997 15 G CA -0.386 44.709 45.100 -0.007 0.000 0.623 15 G HN 0.535 nan 8.290 nan 0.000 0.514 16 E N 1.570 121.766 120.200 -0.005 0.000 2.324 16 E HA 0.469 4.819 4.350 0.000 0.000 0.271 16 E C -0.022 176.574 176.600 -0.007 0.000 1.028 16 E CA 0.327 56.723 56.400 -0.007 0.000 0.890 16 E CB 0.851 30.554 29.700 0.004 0.000 1.004 16 E HN 0.284 nan 8.360 nan 0.000 0.431 17 S N 2.683 118.371 115.700 -0.021 0.000 2.651 17 S HA 0.148 4.618 4.470 0.000 0.000 0.291 17 S C 0.961 175.544 174.600 -0.029 0.000 1.141 17 S CA -0.954 57.231 58.200 -0.025 0.000 1.027 17 S CB 1.765 64.940 63.200 -0.042 0.000 1.043 17 S HN 0.429 nan 8.310 nan 0.000 0.530 18 K N 0.544 120.933 120.400 -0.018 0.000 2.057 18 K HA 0.015 4.335 4.320 0.000 0.000 0.207 18 K C 0.235 176.779 176.600 -0.094 0.000 1.049 18 K CA 1.310 57.599 56.287 0.003 0.000 0.931 18 K CB -0.391 32.133 32.500 0.041 0.000 0.714 18 K HN 0.590 nan 8.250 nan 0.000 0.440 19 L N 0.454 121.565 121.223 -0.186 0.000 2.401 19 L HA 0.469 4.810 4.340 0.000 0.000 0.266 19 L C -0.329 176.396 176.870 -0.242 0.000 0.991 19 L CA -0.929 53.694 54.840 -0.362 0.000 0.818 19 L CB 2.092 43.818 42.059 -0.554 0.000 1.321 19 L HN -0.249 nan 8.230 nan 0.000 0.413 20 K N 2.029 122.281 120.400 -0.246 0.000 2.164 20 K HA 0.699 5.019 4.320 0.000 0.000 0.258 20 K C -1.473 175.005 176.600 -0.203 0.000 0.951 20 K CA -0.625 55.556 56.287 -0.176 0.000 0.844 20 K CB 2.084 34.508 32.500 -0.127 0.000 1.099 20 K HN 0.598 nan 8.250 nan 0.000 0.435 21 I N 3.055 123.536 120.570 -0.149 0.000 2.433 21 I HA 0.249 4.419 4.170 0.000 0.000 0.292 21 I C -0.896 175.171 176.117 -0.083 0.000 1.001 21 I CA -0.471 60.753 61.300 -0.127 0.000 1.119 21 I CB 1.719 39.649 38.000 -0.116 0.000 1.289 21 I HN 0.622 nan 8.210 nan 0.000 0.438 22 D N 7.346 127.705 120.400 -0.068 0.000 2.490 22 D HA 0.458 5.098 4.640 0.000 0.000 0.232 22 D C -2.640 173.643 176.300 -0.028 0.000 1.053 22 D CA -1.301 52.672 54.000 -0.045 0.000 0.914 22 D CB 2.253 43.029 40.800 -0.041 0.000 1.431 22 D HN 0.110 nan 8.370 nan 0.000 0.483 23 P HA 0.159 nan 4.420 nan 0.000 0.293 23 P C -0.546 176.753 177.300 -0.002 0.000 1.300 23 P CA -0.432 62.663 63.100 -0.009 0.000 0.792 23 P CB 0.759 32.454 31.700 -0.008 0.000 0.925 24 D N 2.759 123.164 120.400 0.008 0.000 2.338 24 D HA 0.005 4.645 4.640 0.000 0.000 0.255 24 D C 0.826 177.132 176.300 0.011 0.000 1.237 24 D CA 0.200 54.210 54.000 0.017 0.000 0.883 24 D CB 0.855 41.678 40.800 0.038 0.000 1.087 24 D HN 0.315 nan 8.370 nan 0.000 0.485 25 T N 2.084 116.641 114.554 0.005 0.000 3.007 25 T HA -0.137 4.213 4.350 0.000 0.000 0.270 25 T C 1.559 176.259 174.700 -0.001 0.000 1.107 25 T CA 0.550 62.651 62.100 0.001 0.000 1.118 25 T CB 0.214 69.081 68.868 -0.002 0.000 0.889 25 T HN 0.297 nan 8.240 nan 0.000 0.506 26 K N 2.545 122.944 120.400 -0.001 0.000 1.967 26 K HA 0.288 4.608 4.320 0.000 0.000 0.212 26 K C 1.555 178.149 176.600 -0.011 0.000 1.044 26 K CA 1.165 57.446 56.287 -0.010 0.000 0.942 26 K CB -1.000 31.490 32.500 -0.017 0.000 0.726 26 K HN 0.536 nan 8.250 nan 0.000 0.440 27 A N 2.755 125.570 122.820 -0.008 0.000 2.242 27 A HA 0.512 4.832 4.320 0.000 0.000 0.304 27 A C -2.322 175.266 177.584 0.006 0.000 1.100 27 A CA -1.247 50.787 52.037 -0.006 0.000 0.860 27 A CB 0.132 19.127 19.000 -0.009 0.000 1.168 27 A HN 0.117 nan 8.150 nan 0.000 0.503 28 P HA 0.308 nan 4.420 nan 0.000 0.292 28 P C -0.525 176.789 177.300 0.022 0.000 1.300 28 P CA -0.595 62.513 63.100 0.014 0.000 0.900 28 P CB 1.023 32.730 31.700 0.012 0.000 1.139 29 N N -0.614 118.100 118.700 0.022 0.000 2.758 29 N HA -0.164 4.577 4.740 0.000 0.000 0.248 29 N C -1.235 174.293 175.510 0.030 0.000 1.076 29 N CA 0.951 54.017 53.050 0.026 0.000 0.696 29 N CB -1.289 37.219 38.487 0.035 0.000 0.979 29 N HN 0.706 nan 8.380 nan 0.000 0.550 30 A N -0.142 122.696 122.820 0.029 0.000 2.398 30 A HA 0.733 5.053 4.320 0.000 0.000 0.301 30 A C -0.545 177.059 177.584 0.033 0.000 1.041 30 A CA -0.412 51.654 52.037 0.047 0.000 0.711 30 A CB 2.332 21.370 19.000 0.063 0.000 1.240 30 A HN 0.085 nan 8.150 nan 0.000 0.420 31 V N 2.013 121.948 119.914 0.034 0.000 2.709 31 V HA 0.592 4.712 4.120 0.000 0.000 0.308 31 V C -0.787 175.316 176.094 0.014 0.000 1.062 31 V CA -0.518 61.787 62.300 0.007 0.000 0.901 31 V CB 2.042 33.853 31.823 -0.020 0.000 1.003 31 V HN 1.087 nan 8.190 nan 0.000 0.425 32 V N 7.442 127.354 119.914 -0.003 0.000 2.266 32 V HA 0.545 4.665 4.120 0.000 0.000 0.271 32 V C -0.313 175.746 176.094 -0.058 0.000 1.032 32 V CA -0.235 62.063 62.300 -0.003 0.000 0.806 32 V CB 0.795 32.629 31.823 0.018 0.000 1.052 32 V HN 0.699 nan 8.190 nan 0.000 0.449 33 I N 5.859 126.376 120.570 -0.089 0.000 2.322 33 I HA 0.302 4.472 4.170 0.000 0.000 0.292 33 I C 0.920 176.874 176.117 -0.273 0.000 1.060 33 I CA 0.190 61.355 61.300 -0.225 0.000 1.309 33 I CB 0.965 38.773 38.000 -0.319 0.000 1.415 33 I HN 0.387 nan 8.210 nan 0.000 0.492 34 T N 5.734 120.121 114.554 -0.279 0.000 2.868 34 T HA 0.325 4.676 4.350 0.000 0.000 0.292 34 T C -0.253 174.185 174.700 -0.436 0.000 1.028 34 T CA 0.416 62.368 62.100 -0.246 0.000 1.059 34 T CB 0.456 69.234 68.868 -0.150 0.000 0.991 34 T HN 0.334 nan 8.240 nan 0.000 0.531 35 F N 1.669 121.417 119.950 -0.337 0.000 2.708 35 F HA 0.206 4.733 4.527 -0.000 0.000 0.344 35 F C 0.335 176.069 175.800 -0.110 0.000 1.447 35 F CA -0.881 56.914 58.000 -0.341 0.000 1.140 35 F CB 0.816 39.282 39.000 -0.891 0.000 1.657 35 F HN 0.405 nan 8.300 nan 0.000 0.598 36 E N 3.307 123.560 120.200 0.088 0.000 2.529 36 E HA -0.004 4.346 4.350 0.000 0.000 0.259 36 E C 0.164 176.867 176.600 0.171 0.000 0.966 36 E CA 0.333 56.801 56.400 0.112 0.000 0.937 36 E CB 0.321 30.051 29.700 0.050 0.000 0.923 36 E HN 0.258 nan 8.360 nan 0.000 0.468 37 K N 1.730 122.238 120.400 0.179 0.000 3.585 37 K HA -0.163 4.157 4.320 0.000 0.000 0.275 37 K C -0.182 176.548 176.600 0.216 0.000 1.026 37 K CA 0.761 57.157 56.287 0.182 0.000 0.800 37 K CB -1.285 31.302 32.500 0.146 0.000 1.401 37 K HN 0.578 nan 8.250 nan 0.000 0.453 38 E N -0.207 120.135 120.200 0.237 0.000 2.439 38 E HA 0.443 4.793 4.350 0.000 0.000 0.279 38 E C -0.386 176.257 176.600 0.072 0.000 1.077 38 E CA -0.340 56.167 56.400 0.179 0.000 0.849 38 E CB 1.726 31.593 29.700 0.278 0.000 1.408 38 E HN 0.300 nan 8.360 nan 0.000 0.457 39 D N -2.187 118.070 120.400 -0.237 0.000 3.236 39 D HA 0.209 4.849 4.640 0.000 0.000 0.325 39 D C 0.812 176.608 176.300 -0.840 0.000 1.352 39 D CA -0.331 53.353 54.000 -0.527 0.000 0.979 39 D CB -0.021 40.570 40.800 -0.347 0.000 1.410 39 D HN 0.323 nan 8.370 nan 0.000 0.588 40 H N -0.561 118.212 119.070 -0.494 0.000 2.460 40 H HA -0.084 4.472 4.556 0.001 0.000 0.297 40 H C 1.498 176.557 175.328 -0.448 0.000 1.103 40 H CA 2.024 57.769 56.048 -0.505 0.000 1.292 40 H CB -0.873 28.785 29.762 -0.174 0.000 1.376 40 H HN 0.451 nan 8.280 nan 0.000 0.531 41 T N 0.998 115.412 114.554 -0.232 0.000 2.653 41 T HA -0.166 4.184 4.350 0.000 0.000 0.268 41 T C 2.216 176.765 174.700 -0.252 0.000 1.035 41 T CA 1.596 63.583 62.100 -0.189 0.000 1.154 41 T CB -0.236 68.545 68.868 -0.144 0.000 0.862 41 T HN 0.110 nan 8.240 nan 0.000 0.441 42 L N -0.010 120.985 121.223 -0.379 0.000 2.379 42 L HA 0.431 4.771 4.340 0.000 0.000 0.190 42 L C 2.744 179.314 176.870 -0.500 0.000 1.111 42 L CA 1.450 56.075 54.840 -0.358 0.000 0.820 42 L CB -1.284 40.600 42.059 -0.290 0.000 1.046 42 L HN 0.280 nan 8.230 nan 0.000 0.485 43 G N -0.050 108.172 108.800 -0.964 0.000 2.624 43 G HA2 -0.483 3.477 3.960 0.000 0.000 0.221 43 G HA3 -0.483 3.477 3.960 0.000 0.000 0.221 43 G C 1.445 175.763 174.900 -0.970 0.000 1.169 43 G CA 1.512 45.927 45.100 -1.141 0.000 0.771 43 G HN 0.491 nan 8.290 nan 0.000 0.598 44 N N 0.333 118.412 118.700 -1.036 0.000 2.069 44 N HA -0.100 4.640 4.740 0.000 0.000 0.191 44 N C 2.104 177.531 175.510 -0.139 0.000 1.031 44 N CA 1.711 54.544 53.050 -0.362 0.000 0.852 44 N CB -0.401 38.015 38.487 -0.119 0.000 1.018 44 N HN 0.308 nan 8.380 nan 0.000 0.423 45 L N -0.392 120.724 121.223 -0.178 0.000 2.156 45 L HA 0.183 4.523 4.340 0.000 0.000 0.208 45 L C 1.843 178.675 176.870 -0.064 0.000 1.095 45 L CA 1.230 56.014 54.840 -0.095 0.000 0.770 45 L CB -0.537 41.463 42.059 -0.098 0.000 0.914 45 L HN 0.186 nan 8.230 nan 0.000 0.439 46 I N -0.407 120.113 120.570 -0.083 0.000 2.286 46 I HA -0.176 3.994 4.170 0.000 0.000 0.245 46 I C 2.758 178.880 176.117 0.008 0.000 1.104 46 I CA 1.106 62.390 61.300 -0.028 0.000 1.397 46 I CB -0.461 37.529 38.000 -0.018 0.000 1.072 46 I HN 0.277 nan 8.210 nan 0.000 0.417 47 R N 0.666 121.183 120.500 0.029 0.000 2.081 47 R HA -0.145 4.195 4.340 0.000 0.000 0.235 47 R C 2.170 178.493 176.300 0.037 0.000 1.131 47 R CA 1.592 57.731 56.100 0.064 0.000 0.960 47 R CB -0.232 30.179 30.300 0.186 0.000 0.856 47 R HN 0.373 nan 8.270 nan 0.000 0.436 48 A N 0.492 123.333 122.820 0.035 0.000 2.014 48 A HA -0.065 4.255 4.320 0.000 0.000 0.218 48 A C 1.885 179.478 177.584 0.015 0.000 1.163 48 A CA 0.860 52.911 52.037 0.024 0.000 0.652 48 A CB -0.142 18.870 19.000 0.021 0.000 0.808 48 A HN 0.290 nan 8.150 nan 0.000 0.449 49 E N -0.304 119.902 120.200 0.011 0.000 2.122 49 E HA 0.049 4.399 4.350 0.000 0.000 0.190 49 E C 1.332 177.944 176.600 0.021 0.000 0.977 49 E CA 0.218 56.626 56.400 0.014 0.000 0.820 49 E CB -0.115 29.590 29.700 0.008 0.000 0.770 49 E HN 0.584 nan 8.360 nan 0.000 0.462 50 L N 1.281 122.513 121.223 0.016 0.000 2.885 50 L HA -0.115 4.225 4.340 0.000 0.000 0.258 50 L C 1.578 178.455 176.870 0.012 0.000 1.146 50 L CA 0.023 54.869 54.840 0.010 0.000 0.922 50 L CB 0.050 42.105 42.059 -0.006 0.000 1.138 50 L HN 0.062 nan 8.230 nan 0.000 0.431 51 L N -1.626 119.610 121.223 0.022 0.000 2.694 51 L HA 0.134 4.475 4.340 0.000 0.000 0.228 51 L C 1.929 178.821 176.870 0.038 0.000 1.048 51 L CA 0.498 55.354 54.840 0.027 0.000 0.887 51 L CB -0.033 42.039 42.059 0.021 0.000 1.265 51 L HN 0.168 nan 8.230 nan 0.000 0.492 52 N N -0.097 118.624 118.700 0.036 0.000 2.289 52 N HA -0.150 4.591 4.740 0.000 0.000 0.184 52 N C 0.380 175.920 175.510 0.050 0.000 1.016 52 N CA 0.620 53.693 53.050 0.038 0.000 0.872 52 N CB -0.594 37.912 38.487 0.031 0.000 0.973 52 N HN 0.305 nan 8.380 nan 0.000 0.433 53 D N 1.947 122.385 120.400 0.063 0.000 2.376 53 D HA -0.056 4.584 4.640 0.000 0.000 0.278 53 D C 0.677 177.040 176.300 0.104 0.000 1.384 53 D CA 0.052 54.110 54.000 0.097 0.000 1.033 53 D CB 0.221 41.093 40.800 0.119 0.000 1.102 53 D HN 0.151 nan 8.370 nan 0.000 0.530 54 R N 2.649 123.200 120.500 0.084 0.000 2.341 54 R HA -0.061 4.280 4.340 0.000 0.000 0.213 54 R C 0.966 177.323 176.300 0.094 0.000 1.082 54 R CA 0.658 56.801 56.100 0.072 0.000 1.017 54 R CB 0.267 30.594 30.300 0.046 0.000 0.860 54 R HN 0.241 nan 8.270 nan 0.000 0.473 55 K N 0.827 121.318 120.400 0.152 0.000 2.576 55 K HA 0.197 4.517 4.320 0.000 0.000 0.209 55 K C -0.726 176.030 176.600 0.260 0.000 1.049 55 K CA 0.055 56.470 56.287 0.214 0.000 1.140 55 K CB 1.203 33.845 32.500 0.236 0.000 0.871 55 K HN -0.087 nan 8.250 nan 0.000 0.479 56 V N 1.707 121.713 119.914 0.153 0.000 2.540 56 V HA 0.236 4.357 4.120 0.000 0.000 0.302 56 V C 1.204 177.354 176.094 0.094 0.000 1.035 56 V CA -0.534 61.823 62.300 0.096 0.000 0.873 56 V CB 2.021 33.872 31.823 0.047 0.000 0.992 56 V HN 0.161 nan 8.190 nan 0.000 0.428 57 L N 3.482 124.768 121.223 0.105 0.000 2.168 57 L HA 0.309 4.650 4.340 0.000 0.000 0.203 57 L C 0.247 177.247 176.870 0.217 0.000 1.078 57 L CA 1.370 56.290 54.840 0.132 0.000 0.780 57 L CB 0.126 42.257 42.059 0.119 0.000 0.939 57 L HN 0.547 nan 8.230 nan 0.000 0.451 58 F N 0.294 120.255 119.950 0.019 0.000 2.588 58 F HA 0.670 5.197 4.527 0.000 0.000 0.314 58 F C -1.302 174.514 175.800 0.026 0.000 1.134 58 F CA -1.175 56.837 58.000 0.020 0.000 0.961 58 F CB 1.446 40.456 39.000 0.016 0.000 1.239 58 F HN -0.232 nan 8.300 nan 0.000 0.448 59 A N 4.458 126.869 122.820 -0.682 0.000 2.442 59 A HA 0.940 5.260 4.320 0.000 0.000 0.284 59 A C -1.722 175.491 177.584 -0.619 0.000 1.058 59 A CA 0.105 51.806 52.037 -0.560 0.000 0.738 59 A CB 0.805 19.688 19.000 -0.195 0.000 1.242 59 A HN 1.751 nan 8.150 nan 0.000 0.421 60 A N 1.601 124.058 122.820 -0.606 0.000 2.572 60 A HA 0.903 5.224 4.320 0.000 0.000 0.295 60 A C -1.153 176.440 177.584 0.014 0.000 1.072 60 A CA -0.513 51.369 52.037 -0.258 0.000 0.691 60 A CB 1.130 20.002 19.000 -0.213 0.000 1.291 60 A HN 2.025 nan 8.150 nan 0.000 0.404 61 Y N -0.128 120.194 120.300 0.037 0.000 2.605 61 Y HA 0.839 5.389 4.550 0.000 0.000 0.343 61 Y C -0.752 175.251 175.900 0.172 0.000 1.036 61 Y CA -1.207 56.992 58.100 0.165 0.000 1.065 61 Y CB 1.818 40.434 38.460 0.259 0.000 1.288 61 Y HN 0.785 nan 8.280 nan 0.000 0.481 62 K N 1.487 122.118 120.400 0.385 0.000 2.587 62 K HA 0.505 4.826 4.320 0.000 0.000 0.256 62 K C -1.767 175.054 176.600 0.369 0.000 0.974 62 K CA -0.902 55.521 56.287 0.227 0.000 0.855 62 K CB 1.676 34.232 32.500 0.093 0.000 1.292 62 K HN 0.845 nan 8.250 nan 0.000 0.444 63 V N 1.058 121.190 119.914 0.364 0.000 2.377 63 V HA 0.074 4.194 4.120 0.000 0.000 0.254 63 V C 1.259 177.475 176.094 0.203 0.000 1.060 63 V CA -0.099 62.370 62.300 0.283 0.000 1.068 63 V CB 0.124 32.065 31.823 0.197 0.000 1.113 63 V HN 0.883 nan 8.190 nan 0.000 0.484 64 E N 2.654 122.978 120.200 0.207 0.000 2.035 64 E HA -0.225 4.125 4.350 0.000 0.000 0.204 64 E C 0.413 177.113 176.600 0.166 0.000 1.025 64 E CA 2.282 58.780 56.400 0.163 0.000 0.835 64 E CB 0.065 29.856 29.700 0.152 0.000 0.764 64 E HN 0.981 nan 8.360 nan 0.000 0.457 65 H N -0.960 118.204 119.070 0.156 0.000 2.667 65 H HA 0.135 4.692 4.556 0.001 0.000 0.353 65 H C -2.089 173.318 175.328 0.132 0.000 1.072 65 H CA -1.880 54.230 56.048 0.105 0.000 1.214 65 H CB 2.292 32.144 29.762 0.151 0.000 1.600 65 H HN -0.146 nan 8.280 nan 0.000 0.527 66 P HA -0.019 nan 4.420 nan 0.000 0.249 66 P C 0.660 178.086 177.300 0.210 0.000 1.241 66 P CA 0.575 63.778 63.100 0.172 0.000 0.781 66 P CB -0.110 31.638 31.700 0.079 0.000 1.088 67 F N -0.735 119.235 119.950 0.034 0.000 2.451 67 F HA 0.000 4.528 4.527 0.002 0.000 0.299 67 F C 0.773 176.132 175.800 -0.735 0.000 1.101 67 F CA 0.221 57.889 58.000 -0.555 0.000 1.436 67 F CB -0.050 38.219 39.000 -1.218 0.000 1.074 67 F HN -0.162 nan 8.300 nan 0.000 0.553 68 F N -0.574 119.516 119.950 0.234 0.000 2.551 68 F HA 0.573 5.099 4.527 -0.001 0.000 0.316 68 F C 0.075 175.945 175.800 0.117 0.000 1.089 68 F CA -1.404 56.678 58.000 0.138 0.000 0.915 68 F CB 1.094 40.166 39.000 0.120 0.000 1.186 68 F HN -0.385 nan 8.300 nan 0.000 0.456 69 A N 3.920 126.895 122.820 0.259 0.000 2.279 69 A HA 0.817 5.137 4.320 0.000 0.000 0.306 69 A C -0.173 177.555 177.584 0.239 0.000 1.300 69 A CA -0.351 51.803 52.037 0.195 0.000 0.925 69 A CB -0.028 19.061 19.000 0.149 0.000 1.152 69 A HN 0.944 nan 8.150 nan 0.000 0.544 70 R N 1.092 121.762 120.500 0.284 0.000 3.033 70 R HA 0.639 4.979 4.340 0.000 0.000 0.284 70 R C -1.395 175.170 176.300 0.442 0.000 0.997 70 R CA -0.786 55.500 56.100 0.310 0.000 0.851 70 R CB 0.484 30.895 30.300 0.186 0.000 1.297 70 R HN 1.229 nan 8.270 nan 0.000 0.518 71 F N -1.503 118.542 119.950 0.158 0.000 2.725 71 F HA 0.559 5.085 4.527 -0.000 0.000 0.309 71 F C -1.862 174.075 175.800 0.229 0.000 1.132 71 F CA -1.269 56.835 58.000 0.174 0.000 0.957 71 F CB 1.850 40.933 39.000 0.138 0.000 1.286 71 F HN 0.445 nan 8.300 nan 0.000 0.440 72 K N 2.813 123.348 120.400 0.224 0.000 2.293 72 K HA 0.568 4.888 4.320 0.000 0.000 0.267 72 K C -1.421 175.306 176.600 0.212 0.000 1.010 72 K CA -0.771 55.580 56.287 0.106 0.000 0.875 72 K CB 2.056 34.612 32.500 0.094 0.000 1.106 72 K HN 0.685 nan 8.250 nan 0.000 0.450 73 L N 3.783 125.098 121.223 0.154 0.000 2.265 73 L HA 0.337 4.677 4.340 0.000 0.000 0.288 73 L C -0.436 176.489 176.870 0.091 0.000 1.058 73 L CA -0.090 54.874 54.840 0.207 0.000 0.809 73 L CB 0.592 42.822 42.059 0.284 0.000 1.179 73 L HN 0.545 nan 8.230 nan 0.000 0.429 74 R N 6.151 126.677 120.500 0.044 0.000 2.445 74 R HA 0.745 5.085 4.340 0.000 0.000 0.308 74 R C -1.625 174.610 176.300 -0.109 0.000 0.961 74 R CA -0.611 55.502 56.100 0.021 0.000 0.862 74 R CB 1.013 31.398 30.300 0.142 0.000 1.144 74 R HN 0.758 nan 8.270 nan 0.000 0.447 75 I N 2.512 123.063 120.570 -0.031 0.000 2.533 75 I HA 0.342 4.512 4.170 0.000 0.000 0.290 75 I C -0.907 175.240 176.117 0.051 0.000 1.056 75 I CA -0.902 60.367 61.300 -0.052 0.000 1.057 75 I CB 2.117 40.076 38.000 -0.068 0.000 1.240 75 I HN 0.583 nan 8.210 nan 0.000 0.423 76 Q N 5.029 124.900 119.800 0.118 0.000 2.330 76 Q HA 0.631 4.971 4.340 0.000 0.000 0.269 76 Q C -1.040 175.004 176.000 0.072 0.000 1.022 76 Q CA -0.499 55.379 55.803 0.124 0.000 0.796 76 Q CB 2.087 30.950 28.738 0.209 0.000 1.271 76 Q HN 0.863 nan 8.270 nan 0.000 0.450 77 T N 0.228 114.797 114.554 0.025 0.000 2.919 77 T HA 0.550 4.901 4.350 0.000 0.000 0.282 77 T C 0.378 175.128 174.700 0.084 0.000 1.020 77 T CA -0.592 61.522 62.100 0.023 0.000 0.994 77 T CB 1.177 69.982 68.868 -0.106 0.000 1.180 77 T HN 0.611 nan 8.240 nan 0.000 0.566 78 T N 0.069 114.710 114.554 0.144 0.000 2.667 78 T HA 0.187 4.537 4.350 0.000 0.000 0.305 78 T C 0.281 175.046 174.700 0.108 0.000 1.022 78 T CA -0.721 61.455 62.100 0.127 0.000 0.995 78 T CB 0.032 68.985 68.868 0.141 0.000 1.026 78 T HN 0.715 nan 8.240 nan 0.000 0.527 79 E N 0.546 120.793 120.200 0.079 0.000 2.159 79 E HA 0.338 4.689 4.350 0.000 0.000 0.272 79 E C 1.061 177.703 176.600 0.071 0.000 1.138 79 E CA 0.583 57.021 56.400 0.063 0.000 0.915 79 E CB -0.587 29.138 29.700 0.043 0.000 1.028 79 E HN 0.916 nan 8.360 nan 0.000 0.423 80 G N 4.346 113.196 108.800 0.083 0.000 2.697 80 G HA2 -0.285 3.675 3.960 0.000 0.000 0.200 80 G HA3 -0.285 3.675 3.960 0.000 0.000 0.200 80 G C -0.190 174.793 174.900 0.138 0.000 1.106 80 G CA -0.364 44.785 45.100 0.081 0.000 0.748 80 G HN 0.624 nan 8.290 nan 0.000 0.503 81 Y N 2.847 123.157 120.300 0.017 0.000 2.544 81 Y HA 0.385 4.935 4.550 0.001 0.000 0.330 81 Y C 0.299 176.210 175.900 0.018 0.000 1.136 81 Y CA -0.075 58.036 58.100 0.018 0.000 1.417 81 Y CB 0.590 39.063 38.460 0.021 0.000 1.229 81 Y HN 0.341 nan 8.280 nan 0.000 0.532 82 D N 8.754 129.301 120.400 0.246 0.000 2.225 82 D HA 0.155 4.795 4.640 0.000 0.000 0.248 82 D C -1.692 174.542 176.300 -0.109 0.000 1.096 82 D CA -2.311 51.722 54.000 0.054 0.000 0.863 82 D CB 1.521 42.359 40.800 0.062 0.000 1.156 82 D HN 0.229 nan 8.370 nan 0.000 0.450 83 P HA -0.234 nan 4.420 nan 0.000 0.216 83 P C 0.816 178.014 177.300 -0.169 0.000 1.153 83 P CA 1.493 64.472 63.100 -0.201 0.000 0.858 83 P CB 0.231 31.870 31.700 -0.102 0.000 0.789 84 K N -0.277 120.069 120.400 -0.089 0.000 2.089 84 K HA -0.177 4.143 4.320 0.000 0.000 0.210 84 K C 1.878 178.456 176.600 -0.036 0.000 1.048 84 K CA 1.764 58.019 56.287 -0.052 0.000 0.926 84 K CB -0.525 31.958 32.500 -0.028 0.000 0.714 84 K HN 0.214 nan 8.250 nan 0.000 0.448 85 D N 0.283 120.670 120.400 -0.022 0.000 2.183 85 D HA -0.084 4.556 4.640 0.000 0.000 0.203 85 D C 1.871 178.189 176.300 0.030 0.000 0.969 85 D CA 1.069 55.115 54.000 0.077 0.000 0.842 85 D CB 0.007 40.959 40.800 0.253 0.000 0.957 85 D HN 0.239 nan 8.370 nan 0.000 0.484 86 A N 1.022 123.650 122.820 -0.320 0.000 1.930 86 A HA -0.125 4.195 4.320 0.000 0.000 0.217 86 A C 2.180 179.694 177.584 -0.117 0.000 1.175 86 A CA 0.781 52.558 52.037 -0.434 0.000 0.627 86 A CB -0.593 17.975 19.000 -0.721 0.000 0.815 86 A HN 0.197 nan 8.150 nan 0.000 0.443 87 L N -0.089 121.084 121.223 -0.082 0.000 1.976 87 L HA -0.152 4.188 4.340 0.000 0.000 0.209 87 L C 2.307 179.194 176.870 0.027 0.000 1.071 87 L CA 2.290 57.127 54.840 -0.004 0.000 0.746 87 L CB -0.541 41.526 42.059 0.012 0.000 0.890 87 L HN 0.305 nan 8.230 nan 0.000 0.432 88 K N -0.128 120.290 120.400 0.030 0.000 2.049 88 K HA -0.298 4.023 4.320 0.000 0.000 0.219 88 K C 1.865 178.501 176.600 0.059 0.000 1.056 88 K CA 2.651 58.967 56.287 0.048 0.000 0.946 88 K CB -0.717 31.816 32.500 0.054 0.000 0.723 88 K HN 0.559 nan 8.250 nan 0.000 0.453 89 N N 0.194 118.943 118.700 0.083 0.000 2.188 89 N HA -0.119 4.621 4.740 0.000 0.000 0.184 89 N C 1.841 177.392 175.510 0.067 0.000 1.018 89 N CA 0.787 53.889 53.050 0.087 0.000 0.858 89 N CB -0.135 38.432 38.487 0.133 0.000 0.989 89 N HN 0.231 nan 8.380 nan 0.000 0.426 90 A N 0.586 123.442 122.820 0.060 0.000 1.940 90 A HA -0.187 4.134 4.320 0.000 0.000 0.219 90 A C 2.309 179.914 177.584 0.035 0.000 1.176 90 A CA 1.204 53.267 52.037 0.044 0.000 0.631 90 A CB -0.965 18.054 19.000 0.031 0.000 0.814 90 A HN 0.479 nan 8.150 nan 0.000 0.446 91 C N -0.783 118.540 119.300 0.039 0.000 2.500 91 C HA -0.023 4.438 4.460 0.000 0.000 0.279 91 C C 2.630 177.637 174.990 0.028 0.000 1.288 91 C CA 0.751 59.789 59.018 0.033 0.000 1.710 91 C CB -1.438 26.328 27.740 0.043 0.000 2.052 91 C HN 0.633 nan 8.230 nan 0.000 0.488 92 N N 1.069 119.789 118.700 0.033 0.000 2.094 92 N HA -0.150 4.591 4.740 0.000 0.000 0.191 92 N C 1.982 177.507 175.510 0.025 0.000 1.023 92 N CA 1.711 54.778 53.050 0.029 0.000 0.857 92 N CB -0.546 37.961 38.487 0.034 0.000 1.013 92 N HN 0.492 nan 8.380 nan 0.000 0.426 93 S N 0.904 116.620 115.700 0.028 0.000 2.353 93 S HA -0.064 4.406 4.470 0.000 0.000 0.222 93 S C 2.111 176.721 174.600 0.016 0.000 1.035 93 S CA 0.886 59.100 58.200 0.024 0.000 1.025 93 S CB -0.258 62.959 63.200 0.030 0.000 0.902 93 S HN 0.249 nan 8.310 nan 0.000 0.440 94 I N 1.489 122.067 120.570 0.013 0.000 2.151 94 I HA -0.238 3.932 4.170 0.000 0.000 0.243 94 I C 2.192 178.309 176.117 0.001 0.000 1.080 94 I CA 1.648 62.950 61.300 0.003 0.000 1.339 94 I CB -0.585 37.413 38.000 -0.004 0.000 1.039 94 I HN 0.357 nan 8.210 nan 0.000 0.409 95 I N 0.707 121.280 120.570 0.005 0.000 2.226 95 I HA -0.272 3.898 4.170 0.000 0.000 0.245 95 I C 2.168 178.288 176.117 0.005 0.000 1.100 95 I CA 1.322 62.624 61.300 0.003 0.000 1.374 95 I CB -0.705 37.300 38.000 0.008 0.000 1.057 95 I HN 0.286 nan 8.210 nan 0.000 0.413 96 N N 1.230 119.936 118.700 0.010 0.000 2.188 96 N HA -0.140 4.601 4.740 0.000 0.000 0.184 96 N C 1.794 177.311 175.510 0.011 0.000 1.018 96 N CA 1.194 54.252 53.050 0.012 0.000 0.858 96 N CB -0.213 38.283 38.487 0.015 0.000 0.989 96 N HN 0.343 nan 8.380 nan 0.000 0.426 97 K N 0.490 120.896 120.400 0.009 0.000 2.026 97 K HA 0.005 4.326 4.320 0.000 0.000 0.208 97 K C 2.010 178.613 176.600 0.005 0.000 1.048 97 K CA 0.829 57.121 56.287 0.008 0.000 0.929 97 K CB -0.144 32.359 32.500 0.005 0.000 0.713 97 K HN 0.096 nan 8.250 nan 0.000 0.439 98 L N -0.463 120.758 121.223 -0.003 0.000 2.056 98 L HA -0.099 4.241 4.340 0.000 0.000 0.207 98 L C 2.468 179.335 176.870 -0.005 0.000 1.078 98 L CA 1.294 56.127 54.840 -0.012 0.000 0.749 98 L CB -0.662 41.384 42.059 -0.022 0.000 0.901 98 L HN 0.364 nan 8.230 nan 0.000 0.433 99 G N -0.537 108.264 108.800 0.002 0.000 2.462 99 G HA2 -0.212 3.748 3.960 0.000 0.000 0.220 99 G HA3 -0.212 3.748 3.960 0.000 0.000 0.220 99 G C 1.625 176.536 174.900 0.018 0.000 1.121 99 G CA 0.890 45.994 45.100 0.008 0.000 0.758 99 G HN 0.484 nan 8.290 nan 0.000 0.559 100 A N -0.157 122.675 122.820 0.020 0.000 1.997 100 A HA 0.396 4.716 4.320 0.000 0.000 0.212 100 A C 2.192 179.801 177.584 0.042 0.000 1.178 100 A CA 0.429 52.484 52.037 0.030 0.000 0.698 100 A CB -0.218 18.798 19.000 0.026 0.000 0.842 100 A HN 0.298 nan 8.150 nan 0.000 0.458 101 L N -0.112 121.131 121.223 0.033 0.000 2.012 101 L HA -0.240 4.100 4.340 0.000 0.000 0.210 101 L C 2.515 179.429 176.870 0.073 0.000 1.073 101 L CA 2.443 57.310 54.840 0.044 0.000 0.748 101 L CB -0.329 41.736 42.059 0.010 0.000 0.891 101 L HN 0.520 nan 8.230 nan 0.000 0.431 102 K N -0.866 119.560 120.400 0.043 0.000 2.009 102 K HA -0.200 4.120 4.320 0.000 0.000 0.210 102 K C 1.835 178.510 176.600 0.124 0.000 1.049 102 K CA 2.340 58.661 56.287 0.057 0.000 0.929 102 K CB -0.147 32.362 32.500 0.015 0.000 0.714 102 K HN 0.314 nan 8.250 nan 0.000 0.440 103 T N 1.252 115.860 114.554 0.090 0.000 2.788 103 T HA -0.091 4.259 4.350 0.000 0.000 0.268 103 T C 1.557 176.321 174.700 0.106 0.000 1.044 103 T CA 1.422 63.575 62.100 0.089 0.000 1.139 103 T CB -0.367 68.536 68.868 0.058 0.000 0.867 103 T HN 0.278 nan 8.240 nan 0.000 0.454 104 N N 0.853 119.618 118.700 0.109 0.000 2.084 104 N HA -0.017 4.724 4.740 0.000 0.000 0.190 104 N C 1.471 177.063 175.510 0.136 0.000 1.030 104 N CA 0.847 53.958 53.050 0.103 0.000 0.849 104 N CB -0.670 37.872 38.487 0.092 0.000 1.012 104 N HN 0.391 nan 8.380 nan 0.000 0.423 105 F N 1.987 121.962 119.950 0.043 0.000 2.046 105 F HA -0.190 4.338 4.527 0.001 0.000 0.297 105 F C 2.328 178.193 175.800 0.108 0.000 1.123 105 F CA 1.634 59.672 58.000 0.062 0.000 1.199 105 F CB -0.404 38.614 39.000 0.029 0.000 0.972 105 F HN 0.034 nan 8.300 nan 0.000 0.474 106 E N -0.470 119.894 120.200 0.275 0.000 2.086 106 E HA -0.266 4.085 4.350 0.000 0.000 0.200 106 E C 2.059 178.717 176.600 0.096 0.000 1.012 106 E CA 2.611 59.128 56.400 0.196 0.000 0.812 106 E CB -0.340 29.472 29.700 0.186 0.000 0.743 106 E HN 0.485 nan 8.360 nan 0.000 0.453 107 T N 0.592 115.181 114.554 0.058 0.000 2.759 107 T HA -0.148 4.202 4.350 0.000 0.000 0.269 107 T C 1.597 176.280 174.700 -0.027 0.000 1.042 107 T CA 1.095 63.207 62.100 0.020 0.000 1.140 107 T CB -0.109 68.772 68.868 0.022 0.000 0.864 107 T HN 0.109 nan 8.240 nan 0.000 0.455 108 E N -0.021 120.138 120.200 -0.068 0.000 2.112 108 E HA -0.046 4.304 4.350 0.000 0.000 0.190 108 E C 1.853 178.358 176.600 -0.159 0.000 0.979 108 E CA 0.319 56.651 56.400 -0.115 0.000 0.814 108 E CB -0.236 29.393 29.700 -0.118 0.000 0.762 108 E HN 0.672 nan 8.360 nan 0.000 0.460 109 W N 2.144 123.183 121.300 -0.435 0.000 2.350 109 W HA -0.182 4.479 4.660 0.001 0.000 0.289 109 W C 0.971 177.380 176.519 -0.184 0.000 1.215 109 W CA 1.059 58.171 57.345 -0.387 0.000 1.236 109 W CB -0.044 29.139 29.460 -0.462 0.000 1.130 109 W HN 0.040 nan 8.180 nan 0.000 0.541 110 N N 0.994 119.581 118.700 -0.188 0.000 2.396 110 N HA -0.092 4.648 4.740 0.000 0.000 0.180 110 N C 1.786 177.146 175.510 -0.250 0.000 1.028 110 N CA 1.461 54.374 53.050 -0.228 0.000 0.893 110 N CB -0.700 37.756 38.487 -0.052 0.000 0.967 110 N HN 0.333 nan 8.380 nan 0.000 0.440 111 L N -0.128 120.967 121.223 -0.213 0.000 2.341 111 L HA 0.089 4.429 4.340 0.000 0.000 0.214 111 L C 0.595 177.338 176.870 -0.211 0.000 1.115 111 L CA 0.436 55.173 54.840 -0.172 0.000 0.820 111 L CB -0.249 41.740 42.059 -0.116 0.000 0.944 111 L HN -0.012 nan 8.230 nan 0.000 0.452 112 Q N 1.350 120.968 119.800 -0.304 0.000 2.299 112 Q HA 0.276 4.616 4.340 0.000 0.000 0.246 112 Q C -0.150 175.639 176.000 -0.352 0.000 0.935 112 Q CA 0.239 55.859 55.803 -0.304 0.000 0.887 112 Q CB 1.591 30.136 28.738 -0.320 0.000 1.223 112 Q HN 0.133 nan 8.270 nan 0.000 0.439 113 T N 0.786 115.197 114.554 -0.239 0.000 2.952 113 T HA 0.607 4.957 4.350 0.000 0.000 0.286 113 T C 0.160 174.757 174.700 -0.171 0.000 1.024 113 T CA -0.771 61.207 62.100 -0.203 0.000 1.029 113 T CB 1.240 70.030 68.868 -0.129 0.000 1.094 113 T HN 0.584 nan 8.240 nan 0.000 0.515 114 L N 0.000 121.146 121.223 -0.129 0.000 2.949 114 L HA 0.000 4.340 4.340 0.000 0.000 0.249 114 L CA 0.000 54.797 54.840 -0.071 0.000 0.813 114 L CB 0.000 42.033 42.059 -0.043 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502