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 1wa5_1_A DATA FIRST_RESID 7 DATA SEQUENCE PQVQFKLVLV GDGGTGKTTF VKRHLTGEFE KKYVATLGVE VHPLVFHTNR DATA SEQUENCE GPIKFNVWDT AGQEKFGGLR DGYYIQAQCA IIMFDVTSRV TYKNVPNWHR DATA SEQUENCE DLVRVCENIP IVLCGNKVDI KDRKVKAKSI VFHRKKNLQY YDISAKSNYN DATA SEQUENCE FEKPFLWLAR KLIGDPNLEF 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.246 177.300 -0.090 0.000 1.155 7 P CA 0.000 63.035 63.100 -0.107 0.000 0.800 7 P CB 0.000 31.642 31.700 -0.097 0.000 0.726 8 Q N -1.509 118.228 119.800 -0.105 0.000 2.389 8 Q HA 0.078 4.417 4.340 -0.001 0.000 0.281 8 Q C -1.054 174.870 176.000 -0.126 0.000 0.984 8 Q CA 0.588 56.333 55.803 -0.096 0.000 0.976 8 Q CB -2.088 26.613 28.738 -0.063 0.000 1.167 8 Q HN 0.498 nan 8.270 nan 0.000 0.575 9 V N 0.978 120.775 119.914 -0.196 0.000 4.318 9 V HA 0.132 4.252 4.120 -0.001 0.000 0.237 9 V C -0.317 175.494 176.094 -0.472 0.000 1.111 9 V CA -0.536 61.575 62.300 -0.315 0.000 1.203 9 V CB 1.273 32.979 31.823 -0.195 0.000 0.787 9 V HN 0.324 nan 8.190 nan 0.000 0.476 10 Q N 3.147 122.591 119.800 -0.593 0.000 2.399 10 Q HA 0.941 5.281 4.340 -0.001 0.000 0.276 10 Q C -1.661 173.880 176.000 -0.766 0.000 1.098 10 Q CA -0.890 54.605 55.803 -0.513 0.000 0.827 10 Q CB 2.954 31.568 28.738 -0.208 0.000 1.386 10 Q HN 0.390 nan 8.270 nan 0.000 0.443 11 F N 0.023 119.927 119.950 -0.076 0.000 2.578 11 F HA 0.392 4.919 4.527 -0.001 0.000 0.311 11 F C -0.310 175.581 175.800 0.152 0.000 1.094 11 F CA -0.960 57.049 58.000 0.015 0.000 0.923 11 F CB 2.334 41.319 39.000 -0.024 0.000 1.230 11 F HN 0.457 nan 8.300 nan 0.000 0.450 12 K N 3.876 124.461 120.400 0.309 0.000 2.284 12 K HA 0.526 4.846 4.320 -0.001 0.000 0.287 12 K C -1.430 175.297 176.600 0.211 0.000 1.081 12 K CA -0.292 56.120 56.287 0.207 0.000 0.910 12 K CB 0.533 33.032 32.500 -0.000 0.000 1.088 12 K HN 0.785 nan 8.250 nan 0.000 0.478 13 L N 6.209 127.615 121.223 0.305 0.000 2.325 13 L HA 0.403 4.743 4.340 -0.001 0.000 0.281 13 L C -0.877 176.115 176.870 0.203 0.000 1.004 13 L CA -0.958 54.047 54.840 0.274 0.000 0.823 13 L CB 1.538 43.839 42.059 0.404 0.000 1.236 13 L HN 0.481 nan 8.230 nan 0.000 0.415 14 V N 3.261 123.228 119.914 0.090 0.000 2.427 14 V HA 0.511 4.630 4.120 -0.001 0.000 0.286 14 V C -0.546 175.590 176.094 0.071 0.000 1.034 14 V CA -0.744 61.621 62.300 0.109 0.000 0.893 14 V CB 1.465 33.316 31.823 0.047 0.000 0.982 14 V HN 0.679 nan 8.190 nan 0.000 0.452 15 L N 7.469 128.766 121.223 0.123 0.000 2.276 15 L HA 0.808 5.147 4.340 -0.001 0.000 0.286 15 L C -0.127 176.734 176.870 -0.015 0.000 1.024 15 L CA -0.066 54.803 54.840 0.048 0.000 0.826 15 L CB 1.208 43.338 42.059 0.119 0.000 1.211 15 L HN 0.903 nan 8.230 nan 0.000 0.422 16 V N 2.275 122.099 119.914 -0.149 0.000 3.126 16 V HA 1.145 5.264 4.120 -0.001 0.000 0.314 16 V C -0.101 175.581 176.094 -0.687 0.000 1.138 16 V CA 0.036 62.110 62.300 -0.376 0.000 1.034 16 V CB 1.388 33.045 31.823 -0.275 0.000 1.075 16 V HN 1.205 nan 8.190 nan 0.000 0.442 17 G N 0.643 108.624 108.800 -1.365 0.000 2.350 17 G HA2 0.328 4.287 3.960 -0.001 0.000 0.305 17 G HA3 0.328 4.287 3.960 -0.001 0.000 0.305 17 G C -1.630 172.874 174.900 -0.660 0.000 1.479 17 G CA -0.606 43.791 45.100 -1.171 0.000 0.949 17 G HN 0.968 nan 8.290 nan 0.000 0.651 18 D N -0.196 120.171 120.400 -0.055 0.000 2.406 18 D HA 0.428 5.067 4.640 -0.001 0.000 0.234 18 D C 1.378 177.760 176.300 0.137 0.000 1.196 18 D CA 1.378 55.534 54.000 0.260 0.000 0.881 18 D CB 0.496 41.460 40.800 0.274 0.000 1.205 18 D HN 0.774 nan 8.370 nan 0.000 0.453 19 G N -0.645 108.279 108.800 0.208 0.000 2.432 19 G HA2 0.378 4.338 3.960 -0.001 0.000 0.239 19 G HA3 0.378 4.338 3.960 -0.001 0.000 0.239 19 G C 1.063 175.982 174.900 0.032 0.000 1.291 19 G CA -0.048 45.172 45.100 0.201 0.000 0.863 19 G HN 0.825 nan 8.290 nan 0.000 0.560 20 G N 0.978 109.705 108.800 -0.121 0.000 2.155 20 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.257 20 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.257 20 G C 1.269 176.048 174.900 -0.202 0.000 0.983 20 G CA 1.427 46.240 45.100 -0.479 0.000 0.676 20 G HN 1.776 nan 8.290 nan 0.000 0.528 21 T N -2.435 112.075 114.554 -0.073 0.000 3.118 21 T HA 0.410 4.760 4.350 -0.001 0.000 0.260 21 T C 2.207 176.884 174.700 -0.038 0.000 1.139 21 T CA 1.534 63.612 62.100 -0.038 0.000 1.085 21 T CB 0.250 69.110 68.868 -0.014 0.000 0.934 21 T HN 2.193 nan 8.240 nan 0.000 0.518 22 G N 1.275 110.064 108.800 -0.019 0.000 2.138 22 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.193 22 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.193 22 G C 0.730 175.684 174.900 0.090 0.000 0.998 22 G CA 0.189 45.311 45.100 0.035 0.000 0.668 22 G HN 0.500 nan 8.290 nan 0.000 0.516 23 K N -0.255 120.184 120.400 0.064 0.000 2.009 23 K HA -0.084 4.235 4.320 -0.001 0.000 0.210 23 K C 2.543 179.256 176.600 0.189 0.000 1.049 23 K CA 1.951 58.304 56.287 0.111 0.000 0.929 23 K CB -0.324 32.208 32.500 0.053 0.000 0.714 23 K HN 0.326 nan 8.250 nan 0.000 0.440 24 T N 0.723 115.358 114.554 0.135 0.000 2.777 24 T HA -0.102 4.247 4.350 -0.001 0.000 0.266 24 T C 1.941 176.685 174.700 0.073 0.000 1.040 24 T CA 1.672 63.832 62.100 0.101 0.000 1.141 24 T CB -0.324 68.596 68.868 0.086 0.000 0.868 24 T HN 0.280 nan 8.240 nan 0.000 0.444 25 T N 1.949 116.546 114.554 0.071 0.000 2.720 25 T HA -0.084 4.265 4.350 -0.001 0.000 0.268 25 T C 1.538 176.335 174.700 0.161 0.000 1.037 25 T CA 1.096 63.201 62.100 0.009 0.000 1.144 25 T CB -0.526 68.300 68.868 -0.070 0.000 0.864 25 T HN 0.347 nan 8.240 nan 0.000 0.444 26 F N 1.920 121.942 119.950 0.120 0.000 2.095 26 F HA -0.140 4.387 4.527 -0.001 0.000 0.298 26 F C 2.265 178.259 175.800 0.324 0.000 1.104 26 F CA 0.883 59.037 58.000 0.258 0.000 1.232 26 F CB -0.726 38.393 39.000 0.199 0.000 0.987 26 F HN -0.080 nan 8.300 nan 0.000 0.475 27 V N 0.764 120.783 119.914 0.175 0.000 2.343 27 V HA -0.278 3.841 4.120 -0.001 0.000 0.247 27 V C 2.505 178.555 176.094 -0.073 0.000 1.051 27 V CA 1.944 64.247 62.300 0.005 0.000 1.036 27 V CB -0.680 31.148 31.823 0.008 0.000 0.654 27 V HN 0.207 nan 8.190 nan 0.000 0.451 28 K N 0.259 120.612 120.400 -0.078 0.000 2.097 28 K HA -0.161 4.158 4.320 -0.001 0.000 0.206 28 K C 2.175 178.763 176.600 -0.020 0.000 1.049 28 K CA 1.405 57.632 56.287 -0.101 0.000 0.933 28 K CB -0.495 31.945 32.500 -0.100 0.000 0.717 28 K HN 0.419 nan 8.250 nan 0.000 0.442 29 R N 0.376 120.906 120.500 0.050 0.000 2.081 29 R HA -0.130 4.210 4.340 -0.001 0.000 0.235 29 R C 1.976 178.368 176.300 0.154 0.000 1.131 29 R CA 1.583 57.739 56.100 0.093 0.000 0.960 29 R CB -0.288 30.110 30.300 0.164 0.000 0.856 29 R HN 0.293 nan 8.270 nan 0.000 0.436 30 H N -0.832 118.307 119.070 0.115 0.000 2.395 30 H HA -0.047 4.509 4.556 -0.001 0.000 0.299 30 H C 1.603 176.862 175.328 -0.115 0.000 1.070 30 H CA 1.570 57.610 56.048 -0.013 0.000 1.356 30 H CB 0.096 29.616 29.762 -0.404 0.000 1.401 30 H HN 0.112 nan 8.280 nan 0.000 0.524 31 L N -0.046 121.165 121.223 -0.021 0.000 2.005 31 L HA -0.114 4.226 4.340 -0.001 0.000 0.207 31 L C 2.305 179.144 176.870 -0.053 0.000 1.072 31 L CA 2.257 57.049 54.840 -0.079 0.000 0.744 31 L CB -0.457 41.532 42.059 -0.116 0.000 0.895 31 L HN 0.481 nan 8.230 nan 0.000 0.433 32 T N -5.937 108.595 114.554 -0.036 0.000 2.969 32 T HA 0.377 4.727 4.350 -0.001 0.000 0.250 32 T C 1.420 176.111 174.700 -0.016 0.000 1.021 32 T CA 0.483 62.567 62.100 -0.027 0.000 1.003 32 T CB 0.630 69.480 68.868 -0.031 0.000 1.040 32 T HN 0.475 nan 8.240 nan 0.000 0.492 33 G N 1.315 110.110 108.800 -0.007 0.000 2.213 33 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.236 33 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.236 33 G C -0.104 174.789 174.900 -0.012 0.000 0.991 33 G CA 0.236 45.324 45.100 -0.021 0.000 0.629 33 G HN 0.888 nan 8.290 nan 0.000 0.517 34 E N -0.286 119.917 120.200 0.005 0.000 2.349 34 E HA 0.574 4.924 4.350 -0.001 0.000 0.265 34 E C -0.781 175.865 176.600 0.076 0.000 1.064 34 E CA -0.986 55.433 56.400 0.032 0.000 0.886 34 E CB 0.403 30.109 29.700 0.010 0.000 1.036 34 E HN 0.237 nan 8.360 nan 0.000 0.413 35 F N 3.072 123.005 119.950 -0.030 0.000 2.411 35 F HA 0.255 4.782 4.527 -0.001 0.000 0.352 35 F C -0.460 175.344 175.800 0.006 0.000 1.123 35 F CA -0.879 57.114 58.000 -0.013 0.000 1.044 35 F CB 1.313 40.299 39.000 -0.023 0.000 1.135 35 F HN 0.398 nan 8.300 nan 0.000 0.461 36 E N 5.373 125.161 120.200 -0.686 0.000 2.152 36 E HA 0.200 4.550 4.350 -0.001 0.000 0.285 36 E C 0.115 176.343 176.600 -0.620 0.000 1.043 36 E CA 0.090 56.209 56.400 -0.468 0.000 0.839 36 E CB 1.031 30.556 29.700 -0.291 0.000 1.069 36 E HN 0.732 nan 8.360 nan 0.000 0.399 37 K N 3.057 123.329 120.400 -0.213 0.000 2.211 37 K HA 0.089 4.409 4.320 -0.001 0.000 0.201 37 K C 0.123 176.729 176.600 0.010 0.000 1.052 37 K CA 0.556 56.831 56.287 -0.019 0.000 0.973 37 K CB 0.230 32.808 32.500 0.129 0.000 0.766 37 K HN 0.341 nan 8.250 nan 0.000 0.466 38 K N 0.855 121.256 120.400 0.001 0.000 2.118 38 K HA 0.087 4.406 4.320 -0.001 0.000 0.264 38 K C -0.827 175.836 176.600 0.106 0.000 1.000 38 K CA -0.619 55.699 56.287 0.052 0.000 0.929 38 K CB 0.690 33.207 32.500 0.028 0.000 1.021 38 K HN -0.148 nan 8.250 nan 0.000 0.463 39 Y N 1.819 122.115 120.300 -0.007 0.000 2.434 39 Y HA 0.269 4.818 4.550 -0.001 0.000 0.341 39 Y C -1.129 174.775 175.900 0.006 0.000 0.965 39 Y CA -1.057 57.045 58.100 0.003 0.000 1.205 39 Y CB 0.611 39.089 38.460 0.030 0.000 1.121 39 Y HN 0.168 nan 8.280 nan 0.000 0.507 40 V N 7.024 126.820 119.914 -0.197 0.000 2.305 40 V HA 0.531 4.650 4.120 -0.001 0.000 0.275 40 V C 0.271 176.137 176.094 -0.380 0.000 1.020 40 V CA -0.961 61.143 62.300 -0.327 0.000 0.811 40 V CB 0.511 32.243 31.823 -0.152 0.000 1.031 40 V HN 1.017 nan 8.190 nan 0.000 0.439 41 A N 3.876 126.304 122.820 -0.654 0.000 2.587 41 A HA 0.303 4.622 4.320 -0.001 0.000 0.235 41 A C 0.791 178.259 177.584 -0.194 0.000 1.044 41 A CA 0.605 52.449 52.037 -0.322 0.000 0.754 41 A CB -0.102 18.797 19.000 -0.169 0.000 0.968 41 A HN 0.698 nan 8.150 nan 0.000 0.509 42 T N 2.842 117.388 114.554 -0.013 0.000 2.907 42 T HA 0.418 4.767 4.350 -0.001 0.000 0.298 42 T C 0.154 174.823 174.700 -0.051 0.000 1.017 42 T CA 0.086 62.173 62.100 -0.022 0.000 1.118 42 T CB 0.186 69.091 68.868 0.062 0.000 0.948 42 T HN 0.407 nan 8.240 nan 0.000 0.531 43 L N 3.797 124.961 121.223 -0.098 0.000 2.272 43 L HA 0.460 4.800 4.340 -0.001 0.000 0.284 43 L C 1.453 178.365 176.870 0.070 0.000 1.045 43 L CA -0.425 54.376 54.840 -0.064 0.000 0.842 43 L CB 0.064 42.027 42.059 -0.161 0.000 1.224 43 L HN 1.024 nan 8.230 nan 0.000 0.430 44 G N 3.034 111.952 108.800 0.196 0.000 4.026 44 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.309 44 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.309 44 G C -0.123 174.829 174.900 0.087 0.000 1.411 44 G CA 0.335 45.610 45.100 0.291 0.000 1.037 44 G HN 0.571 nan 8.290 nan 0.000 0.687 45 V N 0.631 120.486 119.914 -0.098 0.000 3.178 45 V HA 0.731 4.851 4.120 -0.001 0.000 0.302 45 V C -1.635 174.320 176.094 -0.232 0.000 1.262 45 V CA -0.245 61.863 62.300 -0.320 0.000 1.030 45 V CB 2.050 33.374 31.823 -0.833 0.000 1.074 45 V HN 0.785 nan 8.190 nan 0.000 0.438 46 E N 2.679 122.741 120.200 -0.229 0.000 2.241 46 E HA 0.531 4.880 4.350 -0.001 0.000 0.263 46 E C -1.636 174.688 176.600 -0.459 0.000 0.882 46 E CA -0.519 55.691 56.400 -0.317 0.000 0.769 46 E CB 2.367 31.981 29.700 -0.144 0.000 1.185 46 E HN 0.522 nan 8.360 nan 0.000 0.415 47 V N 4.749 124.286 119.914 -0.627 0.000 2.383 47 V HA 0.248 4.367 4.120 -0.001 0.000 0.275 47 V C -0.309 175.455 176.094 -0.550 0.000 1.036 47 V CA -0.489 61.452 62.300 -0.599 0.000 0.889 47 V CB 0.784 32.126 31.823 -0.802 0.000 0.985 47 V HN 0.590 nan 8.190 nan 0.000 0.459 48 H N 5.959 124.983 119.070 -0.076 0.000 2.547 48 H HA 0.409 4.965 4.556 -0.001 0.000 0.342 48 H C -2.623 172.701 175.328 -0.006 0.000 1.048 48 H CA -1.930 54.094 56.048 -0.041 0.000 1.204 48 H CB 2.687 32.437 29.762 -0.021 0.000 1.493 48 H HN 0.404 nan 8.280 nan 0.000 0.511 49 P HA 0.262 nan 4.420 nan 0.000 0.292 49 P C -0.499 176.783 177.300 -0.029 0.000 1.287 49 P CA -0.463 62.661 63.100 0.040 0.000 0.800 49 P CB 1.560 33.259 31.700 -0.001 0.000 0.945 50 L N 3.799 124.986 121.223 -0.060 0.000 2.325 50 L HA 0.448 4.787 4.340 -0.001 0.000 0.281 50 L C -0.128 176.537 176.870 -0.343 0.000 1.004 50 L CA -1.093 53.580 54.840 -0.279 0.000 0.823 50 L CB 2.250 44.053 42.059 -0.427 0.000 1.236 50 L HN 0.094 nan 8.230 nan 0.000 0.415 51 V N 3.677 123.295 119.914 -0.493 0.000 2.435 51 V HA 0.468 4.588 4.120 -0.001 0.000 0.290 51 V C -0.555 175.042 176.094 -0.828 0.000 1.030 51 V CA -0.368 61.632 62.300 -0.501 0.000 0.881 51 V CB 1.758 33.351 31.823 -0.383 0.000 0.983 51 V HN 0.378 nan 8.190 nan 0.000 0.445 52 F N 2.392 122.040 119.950 -0.503 0.000 2.520 52 F HA 0.527 5.053 4.527 -0.001 0.000 0.322 52 F C 0.122 175.538 175.800 -0.641 0.000 1.103 52 F CA -0.627 56.991 58.000 -0.636 0.000 0.926 52 F CB 1.547 39.944 39.000 -1.005 0.000 1.154 52 F HN 0.507 nan 8.300 nan 0.000 0.453 53 H N 0.390 119.423 119.070 -0.061 0.000 2.690 53 H HA 0.403 4.959 4.556 -0.001 0.000 0.289 53 H C 0.257 175.597 175.328 0.019 0.000 1.089 53 H CA -0.529 55.507 56.048 -0.021 0.000 1.299 53 H CB 0.885 30.640 29.762 -0.013 0.000 1.405 53 H HN 0.624 nan 8.280 nan 0.000 0.463 54 T N -0.619 113.996 114.554 0.101 0.000 2.922 54 T HA 0.100 4.449 4.350 -0.001 0.000 0.281 54 T C 1.197 175.979 174.700 0.136 0.000 1.005 54 T CA -1.088 61.105 62.100 0.156 0.000 0.982 54 T CB 0.958 69.937 68.868 0.185 0.000 1.158 54 T HN 0.617 nan 8.240 nan 0.000 0.566 55 N N 0.179 118.963 118.700 0.139 0.000 2.501 55 N HA 0.019 4.759 4.740 -0.001 0.000 0.195 55 N C 0.599 176.157 175.510 0.080 0.000 1.213 55 N CA -0.114 52.996 53.050 0.099 0.000 0.864 55 N CB -0.208 38.334 38.487 0.091 0.000 0.999 55 N HN 0.469 nan 8.380 nan 0.000 0.454 56 R N -0.491 120.061 120.500 0.086 0.000 2.566 56 R HA 0.383 4.723 4.340 -0.001 0.000 0.388 56 R C 0.490 176.824 176.300 0.057 0.000 0.989 56 R CA 0.278 56.418 56.100 0.066 0.000 1.164 56 R CB 0.316 30.658 30.300 0.071 0.000 1.459 56 R HN 0.303 nan 8.270 nan 0.000 0.553 57 G N 2.267 111.104 108.800 0.061 0.000 2.525 57 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.685 57 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.685 57 G C -3.070 171.847 174.900 0.028 0.000 1.290 57 G CA -1.123 44.004 45.100 0.045 0.000 0.915 57 G HN -0.075 nan 8.290 nan 0.000 0.548 58 P HA 0.516 nan 4.420 nan 0.000 0.282 58 P C -0.509 176.730 177.300 -0.101 0.000 1.262 58 P CA -0.106 62.941 63.100 -0.089 0.000 0.773 58 P CB 1.029 32.689 31.700 -0.066 0.000 0.879 59 I N 3.272 123.766 120.570 -0.127 0.000 2.433 59 I HA 0.401 4.571 4.170 -0.001 0.000 0.292 59 I C 0.503 176.533 176.117 -0.146 0.000 1.001 59 I CA -0.893 60.347 61.300 -0.100 0.000 1.119 59 I CB 1.901 39.885 38.000 -0.027 0.000 1.289 59 I HN 0.370 nan 8.210 nan 0.000 0.438 60 K N 5.815 126.103 120.400 -0.187 0.000 2.292 60 K HA 0.560 4.879 4.320 -0.001 0.000 0.257 60 K C -1.836 174.690 176.600 -0.124 0.000 0.940 60 K CA -0.359 55.845 56.287 -0.138 0.000 0.811 60 K CB 1.290 33.719 32.500 -0.119 0.000 1.120 60 K HN 0.249 nan 8.250 nan 0.000 0.428 61 F N 2.867 122.902 119.950 0.142 0.000 2.402 61 F HA 0.310 4.837 4.527 -0.001 0.000 0.355 61 F C 0.238 176.142 175.800 0.174 0.000 1.123 61 F CA -0.864 57.278 58.000 0.237 0.000 1.021 61 F CB 1.393 40.556 39.000 0.272 0.000 1.160 61 F HN 0.423 nan 8.300 nan 0.000 0.451 62 N N 3.511 122.447 118.700 0.394 0.000 2.521 62 N HA 0.164 4.904 4.740 -0.001 0.000 0.236 62 N C -0.771 175.038 175.510 0.498 0.000 1.067 62 N CA -0.055 53.205 53.050 0.349 0.000 0.939 62 N CB 1.414 40.109 38.487 0.348 0.000 1.201 62 N HN 0.211 nan 8.380 nan 0.000 0.511 63 V N 3.072 123.225 119.914 0.398 0.000 2.427 63 V HA 0.080 4.200 4.120 -0.001 0.000 0.268 63 V C -0.185 176.154 176.094 0.408 0.000 1.046 63 V CA -0.543 62.011 62.300 0.424 0.000 0.970 63 V CB -0.051 31.979 31.823 0.344 0.000 1.001 63 V HN 0.489 nan 8.190 nan 0.000 0.476 64 W N 3.446 124.821 121.300 0.125 0.000 2.360 64 W HA 0.345 5.005 4.660 -0.001 0.000 0.344 64 W C 0.344 176.889 176.519 0.044 0.000 1.025 64 W CA -1.222 56.148 57.345 0.043 0.000 1.480 64 W CB 0.246 29.733 29.460 0.045 0.000 1.350 64 W HN 0.542 nan 8.180 nan 0.000 0.382 65 D N 2.995 123.516 120.400 0.202 0.000 2.402 65 D HA 0.077 4.716 4.640 -0.001 0.000 0.235 65 D C 0.509 176.854 176.300 0.073 0.000 1.226 65 D CA 0.124 54.226 54.000 0.171 0.000 0.918 65 D CB 0.521 41.464 40.800 0.239 0.000 1.043 65 D HN 0.222 nan 8.370 nan 0.000 0.506 66 T N 0.553 115.156 114.554 0.082 0.000 2.874 66 T HA 0.661 5.011 4.350 -0.001 0.000 0.281 66 T C 0.368 175.138 174.700 0.116 0.000 0.994 66 T CA -0.973 61.161 62.100 0.057 0.000 1.015 66 T CB 1.438 70.428 68.868 0.202 0.000 1.028 66 T HN 0.348 nan 8.240 nan 0.000 0.523 67 A N 0.677 123.611 122.820 0.190 0.000 2.409 67 A HA 0.597 4.917 4.320 -0.001 0.000 0.262 67 A C 1.403 179.160 177.584 0.288 0.000 1.113 67 A CA -0.252 51.932 52.037 0.245 0.000 0.790 67 A CB -0.051 19.136 19.000 0.311 0.000 1.046 67 A HN 1.164 nan 8.150 nan 0.000 0.496 68 G N 0.838 109.794 108.800 0.259 0.000 2.662 68 G HA2 0.076 4.036 3.960 -0.001 0.000 0.212 68 G HA3 0.076 4.036 3.960 -0.001 0.000 0.212 68 G C 0.500 175.639 174.900 0.397 0.000 1.141 68 G CA -0.038 45.239 45.100 0.294 0.000 0.797 68 G HN 0.681 nan 8.290 nan 0.000 0.531 69 Q N 1.100 121.111 119.800 0.350 0.000 2.293 69 Q HA 0.090 4.430 4.340 -0.001 0.000 0.263 69 Q C 0.941 177.048 176.000 0.179 0.000 1.002 69 Q CA -0.306 55.651 55.803 0.256 0.000 0.910 69 Q CB 1.664 30.563 28.738 0.270 0.000 1.185 69 Q HN 0.319 nan 8.270 nan 0.000 0.401 70 E N 4.135 124.401 120.200 0.110 0.000 2.065 70 E HA -0.247 4.102 4.350 -0.001 0.000 0.201 70 E C 0.796 177.391 176.600 -0.008 0.000 1.016 70 E CA 1.731 58.166 56.400 0.059 0.000 0.818 70 E CB 0.270 29.975 29.700 0.008 0.000 0.749 70 E HN 0.514 nan 8.360 nan 0.000 0.453 71 K N -0.857 119.446 120.400 -0.162 0.000 2.211 71 K HA -0.152 4.167 4.320 -0.001 0.000 0.204 71 K C 1.561 178.030 176.600 -0.219 0.000 1.047 71 K CA 1.174 57.288 56.287 -0.288 0.000 0.935 71 K CB -0.193 31.982 32.500 -0.541 0.000 0.728 71 K HN 0.146 nan 8.250 nan 0.000 0.452 72 F N -0.708 119.304 119.950 0.103 0.000 2.639 72 F HA 0.241 4.767 4.527 -0.001 0.000 0.302 72 F C 1.888 177.779 175.800 0.151 0.000 1.097 72 F CA -0.662 57.402 58.000 0.107 0.000 1.294 72 F CB -0.287 38.770 39.000 0.096 0.000 1.027 72 F HN -0.046 nan 8.300 nan 0.000 0.550 73 G N 0.524 109.492 108.800 0.280 0.000 2.485 73 G HA2 0.075 4.034 3.960 -0.001 0.000 0.221 73 G HA3 0.075 4.034 3.960 -0.001 0.000 0.221 73 G C 1.574 176.656 174.900 0.304 0.000 1.115 73 G CA 0.933 46.207 45.100 0.289 0.000 0.751 73 G HN 0.676 nan 8.290 nan 0.000 0.567 74 G N 0.164 109.101 108.800 0.229 0.000 2.583 74 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.292 74 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.292 74 G C 1.085 175.974 174.900 -0.018 0.000 1.203 74 G CA 0.364 45.574 45.100 0.184 0.000 0.987 74 G HN 0.638 nan 8.290 nan 0.000 0.554 75 L N 1.445 122.471 121.223 -0.328 0.000 2.465 75 L HA 0.088 4.428 4.340 -0.001 0.000 0.224 75 L C 2.184 178.731 176.870 -0.537 0.000 1.145 75 L CA 1.507 55.989 54.840 -0.596 0.000 0.834 75 L CB -0.497 40.955 42.059 -1.012 0.000 0.944 75 L HN 0.697 nan 8.230 nan 0.000 0.451 76 R N 0.339 120.642 120.500 -0.328 0.000 3.853 76 R HA -0.288 4.051 4.340 -0.001 0.000 0.440 76 R C 1.134 177.217 176.300 -0.360 0.000 0.241 76 R CA 1.749 57.807 56.100 -0.071 0.000 1.395 76 R CB -1.437 28.840 30.300 -0.040 0.000 0.984 76 R HN 0.419 nan 8.270 nan 0.000 0.570 77 D N 1.017 121.124 120.400 -0.488 0.000 2.384 77 D HA -0.029 4.610 4.640 -0.001 0.000 0.222 77 D C 1.544 177.420 176.300 -0.708 0.000 0.976 77 D CA 1.337 54.699 54.000 -1.064 0.000 0.915 77 D CB -0.740 39.795 40.800 -0.441 0.000 0.896 77 D HN 0.635 nan 8.370 nan 0.000 0.523 78 G N -0.296 108.218 108.800 -0.477 0.000 2.470 78 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.220 78 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.220 78 G C 0.930 175.683 174.900 -0.245 0.000 1.121 78 G CA 0.250 45.155 45.100 -0.325 0.000 0.766 78 G HN 0.271 nan 8.290 nan 0.000 0.553 79 Y N -0.323 119.885 120.300 -0.154 0.000 2.509 79 Y HA 0.077 4.627 4.550 -0.001 0.000 0.293 79 Y C 2.005 177.890 175.900 -0.024 0.000 1.133 79 Y CA -0.219 57.898 58.100 0.029 0.000 1.283 79 Y CB -0.226 38.388 38.460 0.257 0.000 1.001 79 Y HN 0.247 nan 8.280 nan 0.000 0.555 80 Y N -0.390 119.947 120.300 0.062 0.000 2.561 80 Y HA 0.100 4.650 4.550 -0.001 0.000 0.291 80 Y C 0.993 176.842 175.900 -0.086 0.000 1.141 80 Y CA -1.147 56.937 58.100 -0.028 0.000 1.303 80 Y CB -1.211 37.269 38.460 0.033 0.000 1.015 80 Y HN -0.053 nan 8.280 nan 0.000 0.547 81 I N 1.820 122.418 120.570 0.046 0.000 2.821 81 I HA -0.227 3.943 4.170 -0.001 0.000 0.294 81 I C 0.887 176.980 176.117 -0.040 0.000 1.210 81 I CA 0.837 62.141 61.300 0.006 0.000 1.430 81 I CB 0.074 38.073 38.000 -0.002 0.000 1.356 81 I HN 0.314 nan 8.210 nan 0.000 0.563 82 Q N 2.217 122.012 119.800 -0.009 0.000 2.481 82 Q HA -0.232 4.108 4.340 -0.001 0.000 0.258 82 Q C 0.087 176.068 176.000 -0.032 0.000 0.961 82 Q CA 0.551 56.347 55.803 -0.011 0.000 1.121 82 Q CB -1.103 27.632 28.738 -0.006 0.000 1.503 82 Q HN 0.843 nan 8.270 nan 0.000 0.544 83 A N 0.280 123.073 122.820 -0.045 0.000 2.388 83 A HA 0.249 4.569 4.320 -0.001 0.000 0.257 83 A C 0.808 178.409 177.584 0.028 0.000 1.095 83 A CA 0.091 52.097 52.037 -0.051 0.000 0.791 83 A CB 0.518 19.481 19.000 -0.063 0.000 1.029 83 A HN 0.384 nan 8.150 nan 0.000 0.489 84 Q N -0.268 119.584 119.800 0.088 0.000 2.352 84 Q HA 0.215 4.554 4.340 -0.001 0.000 0.212 84 Q C 0.050 176.105 176.000 0.091 0.000 0.888 84 Q CA 0.622 56.498 55.803 0.121 0.000 0.934 84 Q CB 0.364 29.249 28.738 0.246 0.000 1.093 84 Q HN 0.946 nan 8.270 nan 0.000 0.523 85 C N -3.344 116.015 119.300 0.098 0.000 3.295 85 C HA 0.954 5.413 4.460 -0.001 0.000 0.341 85 C C -1.295 173.735 174.990 0.066 0.000 1.418 85 C CA -1.034 58.037 59.018 0.088 0.000 1.240 85 C CB 1.072 28.883 27.740 0.118 0.000 1.562 85 C HN 0.160 nan 8.230 nan 0.000 0.457 86 A N 0.310 123.159 122.820 0.048 0.000 2.610 86 A HA 0.913 5.233 4.320 -0.001 0.000 0.291 86 A C -1.701 175.871 177.584 -0.019 0.000 1.086 86 A CA -0.557 51.479 52.037 -0.003 0.000 0.677 86 A CB 1.070 20.032 19.000 -0.064 0.000 1.278 86 A HN 1.175 nan 8.150 nan 0.000 0.414 87 I N 1.233 121.766 120.570 -0.062 0.000 2.478 87 I HA 0.382 4.551 4.170 -0.001 0.000 0.287 87 I C -1.072 174.982 176.117 -0.105 0.000 1.042 87 I CA -0.235 60.997 61.300 -0.113 0.000 1.067 87 I CB 1.798 39.677 38.000 -0.203 0.000 1.233 87 I HN 0.492 nan 8.210 nan 0.000 0.431 88 I N 6.469 127.002 120.570 -0.063 0.000 2.321 88 I HA 0.423 4.592 4.170 -0.001 0.000 0.291 88 I C -0.213 175.874 176.117 -0.049 0.000 0.998 88 I CA -0.300 60.969 61.300 -0.053 0.000 1.227 88 I CB 1.665 39.715 38.000 0.083 0.000 1.368 88 I HN 0.530 nan 8.210 nan 0.000 0.466 89 M N 7.686 127.210 119.600 -0.127 0.000 2.578 89 M HA 0.634 5.114 4.480 -0.001 0.000 0.321 89 M C -1.292 175.041 176.300 0.056 0.000 1.182 89 M CA -0.455 54.775 55.300 -0.116 0.000 0.965 89 M CB 1.801 34.271 32.600 -0.218 0.000 1.694 89 M HN 0.507 nan 8.290 nan 0.000 0.461 90 F N -0.169 119.764 119.950 -0.029 0.000 2.692 90 F HA 0.696 5.222 4.527 -0.001 0.000 0.320 90 F C -1.556 174.264 175.800 0.033 0.000 1.123 90 F CA -1.195 56.824 58.000 0.032 0.000 0.961 90 F CB 0.925 40.004 39.000 0.131 0.000 1.383 90 F HN 0.428 nan 8.300 nan 0.000 0.483 91 D N 0.887 121.450 120.400 0.273 0.000 2.381 91 D HA 0.279 4.918 4.640 -0.001 0.000 0.235 91 D C 0.565 177.010 176.300 0.242 0.000 1.068 91 D CA -0.444 53.624 54.000 0.113 0.000 0.832 91 D CB 2.165 43.016 40.800 0.085 0.000 1.101 91 D HN 0.450 nan 8.370 nan 0.000 0.515 92 V N 3.364 123.344 119.914 0.111 0.000 2.867 92 V HA -0.175 3.945 4.120 -0.001 0.000 0.260 92 V C 2.172 178.341 176.094 0.125 0.000 1.099 92 V CA 2.421 64.827 62.300 0.176 0.000 1.122 92 V CB -0.666 31.196 31.823 0.065 0.000 0.708 92 V HN 0.816 nan 8.190 nan 0.000 0.490 93 T N -4.390 110.219 114.554 0.092 0.000 3.086 93 T HA 0.118 4.468 4.350 -0.001 0.000 0.250 93 T C 0.766 175.511 174.700 0.074 0.000 1.074 93 T CA 0.505 62.644 62.100 0.065 0.000 0.988 93 T CB 0.271 69.164 68.868 0.041 0.000 0.988 93 T HN 0.245 nan 8.240 nan 0.000 0.530 94 S N 0.621 116.388 115.700 0.111 0.000 2.653 94 S HA 0.420 4.890 4.470 -0.001 0.000 0.272 94 S C 0.914 175.589 174.600 0.125 0.000 1.221 94 S CA -0.900 57.361 58.200 0.102 0.000 1.149 94 S CB 0.969 64.226 63.200 0.095 0.000 1.029 94 S HN 0.428 nan 8.310 nan 0.000 0.481 95 R N 3.060 123.614 120.500 0.090 0.000 2.117 95 R HA -0.083 4.257 4.340 -0.001 0.000 0.243 95 R C 1.892 178.246 176.300 0.090 0.000 1.143 95 R CA 2.019 58.171 56.100 0.086 0.000 0.968 95 R CB -0.395 29.937 30.300 0.054 0.000 0.863 95 R HN 0.577 nan 8.270 nan 0.000 0.444 96 V N 0.834 120.793 119.914 0.074 0.000 2.594 96 V HA -0.203 3.917 4.120 -0.001 0.000 0.253 96 V C 2.121 178.258 176.094 0.071 0.000 1.069 96 V CA 2.460 64.794 62.300 0.057 0.000 1.082 96 V CB -0.322 31.532 31.823 0.051 0.000 0.680 96 V HN 0.758 nan 8.190 nan 0.000 0.469 97 T N -2.660 111.968 114.554 0.122 0.000 2.915 97 T HA -0.237 4.113 4.350 -0.001 0.000 0.269 97 T C 1.841 176.604 174.700 0.105 0.000 1.071 97 T CA 1.796 63.998 62.100 0.169 0.000 1.132 97 T CB -0.608 68.405 68.868 0.240 0.000 0.878 97 T HN 0.621 nan 8.240 nan 0.000 0.479 98 Y N 1.730 121.951 120.300 -0.132 0.000 2.337 98 Y HA 0.304 4.853 4.550 -0.001 0.000 0.293 98 Y C 2.380 178.098 175.900 -0.303 0.000 1.123 98 Y CA 0.724 58.536 58.100 -0.479 0.000 1.201 98 Y CB -0.136 37.916 38.460 -0.680 0.000 1.011 98 Y HN 0.109 nan 8.280 nan 0.000 0.545 99 K N 0.263 120.525 120.400 -0.230 0.000 2.211 99 K HA -0.131 4.188 4.320 -0.001 0.000 0.203 99 K C 1.211 177.648 176.600 -0.271 0.000 1.050 99 K CA 1.525 57.661 56.287 -0.251 0.000 0.945 99 K CB -0.212 32.237 32.500 -0.086 0.000 0.732 99 K HN 0.504 nan 8.250 nan 0.000 0.451 100 N N -0.380 118.214 118.700 -0.177 0.000 2.422 100 N HA -0.057 4.683 4.740 -0.001 0.000 0.181 100 N C 1.327 176.763 175.510 -0.124 0.000 1.080 100 N CA -0.072 52.904 53.050 -0.122 0.000 0.893 100 N CB 0.424 38.938 38.487 0.046 0.000 0.973 100 N HN -0.085 nan 8.380 nan 0.000 0.456 101 V N 2.065 121.820 119.914 -0.264 0.000 2.380 101 V HA -0.185 3.935 4.120 -0.001 0.000 0.251 101 V C -0.836 174.959 176.094 -0.499 0.000 1.063 101 V CA 1.925 64.041 62.300 -0.308 0.000 1.055 101 V CB -1.043 30.381 31.823 -0.665 0.000 0.657 101 V HN 0.240 nan 8.190 nan 0.000 0.455 102 P HA -0.071 nan 4.420 nan 0.000 0.218 102 P C 1.318 178.533 177.300 -0.141 0.000 1.149 102 P CA 1.148 63.923 63.100 -0.542 0.000 0.817 102 P CB -0.097 31.399 31.700 -0.340 0.000 0.785 103 N N -1.451 117.127 118.700 -0.203 0.000 2.106 103 N HA -0.148 4.592 4.740 -0.001 0.000 0.188 103 N C 1.658 177.055 175.510 -0.188 0.000 1.029 103 N CA 1.217 54.131 53.050 -0.226 0.000 0.848 103 N CB -0.901 37.354 38.487 -0.386 0.000 1.007 103 N HN 0.310 nan 8.380 nan 0.000 0.423 104 W N 0.749 122.043 121.300 -0.009 0.000 2.381 104 W HA -0.112 4.548 4.660 -0.001 0.000 0.301 104 W C 2.562 179.107 176.519 0.042 0.000 1.205 104 W CA 1.059 58.429 57.345 0.041 0.000 1.285 104 W CB -0.727 28.748 29.460 0.025 0.000 1.133 104 W HN 0.325 nan 8.180 nan 0.000 0.521 105 H N 0.450 119.632 119.070 0.187 0.000 2.321 105 H HA -0.155 4.400 4.556 -0.001 0.000 0.300 105 H C 2.416 177.842 175.328 0.163 0.000 1.087 105 H CA 2.499 58.661 56.048 0.190 0.000 1.319 105 H CB -0.195 29.756 29.762 0.315 0.000 1.379 105 H HN -0.047 nan 8.280 nan 0.000 0.501 106 R N 0.232 120.859 120.500 0.212 0.000 2.094 106 R HA -0.166 4.173 4.340 -0.001 0.000 0.239 106 R C 1.500 177.835 176.300 0.057 0.000 1.137 106 R CA 2.256 58.435 56.100 0.132 0.000 0.943 106 R CB -0.250 30.115 30.300 0.109 0.000 0.850 106 R HN 0.412 nan 8.270 nan 0.000 0.433 107 D N 0.479 120.931 120.400 0.086 0.000 2.144 107 D HA -0.149 4.490 4.640 -0.001 0.000 0.199 107 D C 1.972 178.403 176.300 0.218 0.000 0.984 107 D CA 0.974 55.069 54.000 0.158 0.000 0.834 107 D CB -0.121 40.815 40.800 0.226 0.000 0.955 107 D HN 0.289 nan 8.370 nan 0.000 0.465 108 L N 0.508 121.785 121.223 0.089 0.000 2.027 108 L HA -0.132 4.207 4.340 -0.001 0.000 0.206 108 L C 2.523 179.358 176.870 -0.059 0.000 1.074 108 L CA 0.905 55.701 54.840 -0.073 0.000 0.745 108 L CB -0.330 41.576 42.059 -0.255 0.000 0.898 108 L HN 0.050 nan 8.230 nan 0.000 0.433 109 V N -3.131 116.697 119.914 -0.144 0.000 2.626 109 V HA -0.183 3.936 4.120 -0.001 0.000 0.252 109 V C 2.386 178.476 176.094 -0.008 0.000 1.067 109 V CA 1.180 63.420 62.300 -0.100 0.000 1.081 109 V CB -0.769 30.971 31.823 -0.138 0.000 0.686 109 V HN 0.356 nan 8.190 nan 0.000 0.468 110 R N -0.067 120.446 120.500 0.022 0.000 2.115 110 R HA -0.004 4.336 4.340 -0.001 0.000 0.230 110 R C 2.171 178.502 176.300 0.051 0.000 1.111 110 R CA 1.621 57.745 56.100 0.040 0.000 0.976 110 R CB -0.234 30.095 30.300 0.048 0.000 0.870 110 R HN 0.555 nan 8.270 nan 0.000 0.445 111 V N -0.451 119.512 119.914 0.082 0.000 2.575 111 V HA -0.048 4.071 4.120 -0.001 0.000 0.242 111 V C 0.731 176.863 176.094 0.064 0.000 1.045 111 V CA 0.732 63.087 62.300 0.091 0.000 1.065 111 V CB 0.448 32.378 31.823 0.177 0.000 0.717 111 V HN 0.263 nan 8.190 nan 0.000 0.467 112 C N 1.004 120.334 119.300 0.050 0.000 2.264 112 C HA 0.359 4.819 4.460 -0.001 0.000 0.324 112 C C 1.666 176.666 174.990 0.016 0.000 1.267 112 C CA -0.819 58.216 59.018 0.028 0.000 1.618 112 C CB 0.563 28.312 27.740 0.015 0.000 2.278 112 C HN 0.596 nan 8.230 nan 0.000 0.499 113 E N 2.700 122.913 120.200 0.022 0.000 2.012 113 E HA -0.256 4.094 4.350 -0.001 0.000 0.211 113 E C 1.175 177.790 176.600 0.025 0.000 1.029 113 E CA 1.504 57.918 56.400 0.022 0.000 0.867 113 E CB 0.002 29.716 29.700 0.023 0.000 0.790 113 E HN 0.834 nan 8.360 nan 0.000 0.482 114 N N 0.184 118.901 118.700 0.029 0.000 2.553 114 N HA 0.143 4.882 4.740 -0.001 0.000 0.298 114 N C -0.268 175.268 175.510 0.042 0.000 1.596 114 N CA -0.262 52.811 53.050 0.037 0.000 0.910 114 N CB 0.206 38.712 38.487 0.032 0.000 1.336 114 N HN 0.188 nan 8.380 nan 0.000 0.497 115 I N -1.069 119.526 120.570 0.040 0.000 2.720 115 I HA 0.511 4.681 4.170 -0.001 0.000 0.287 115 I C -2.205 173.963 176.117 0.085 0.000 1.090 115 I CA -1.748 59.579 61.300 0.046 0.000 1.384 115 I CB 0.520 38.541 38.000 0.036 0.000 1.420 115 I HN -0.007 nan 8.210 nan 0.000 0.575 116 P HA 0.383 nan 4.420 nan 0.000 0.276 116 P C -0.918 176.548 177.300 0.277 0.000 1.230 116 P CA 0.113 63.337 63.100 0.206 0.000 0.776 116 P CB 1.261 32.965 31.700 0.006 0.000 0.888 117 I N 2.444 123.229 120.570 0.359 0.000 2.533 117 I HA 0.303 4.472 4.170 -0.001 0.000 0.290 117 I C -0.336 175.847 176.117 0.109 0.000 1.056 117 I CA -1.215 60.212 61.300 0.211 0.000 1.057 117 I CB 2.621 40.729 38.000 0.180 0.000 1.240 117 I HN 0.010 nan 8.210 nan 0.000 0.423 118 V N 6.139 126.068 119.914 0.025 0.000 2.459 118 V HA 0.373 4.493 4.120 -0.001 0.000 0.295 118 V C -0.401 175.648 176.094 -0.075 0.000 1.029 118 V CA -0.696 61.523 62.300 -0.134 0.000 0.874 118 V CB 1.979 33.726 31.823 -0.127 0.000 0.985 118 V HN 0.420 nan 8.190 nan 0.000 0.438 119 L N 6.013 127.207 121.223 -0.047 0.000 2.264 119 L HA 0.592 4.932 4.340 -0.001 0.000 0.289 119 L C -0.449 176.394 176.870 -0.045 0.000 1.044 119 L CA 0.319 55.231 54.840 0.120 0.000 0.807 119 L CB 0.744 43.030 42.059 0.379 0.000 1.192 119 L HN 0.755 nan 8.230 nan 0.000 0.425 120 C N 4.029 123.248 119.300 -0.135 0.000 2.298 120 C HA 0.732 5.192 4.460 -0.001 0.000 0.323 120 C C 0.792 175.414 174.990 -0.613 0.000 1.284 120 C CA -0.832 57.946 59.018 -0.401 0.000 1.577 120 C CB 0.626 28.080 27.740 -0.475 0.000 2.249 120 C HN 0.996 nan 8.230 nan 0.000 0.497 121 G N 3.192 111.560 108.800 -0.720 0.000 2.475 121 G HA2 0.356 4.315 3.960 -0.001 0.000 0.322 121 G HA3 0.356 4.315 3.960 -0.001 0.000 0.322 121 G C -0.344 174.225 174.900 -0.551 0.000 1.044 121 G CA 0.011 44.412 45.100 -1.166 0.000 1.047 121 G HN 0.738 nan 8.290 nan 0.000 0.436 122 N N 1.341 119.745 118.700 -0.493 0.000 2.434 122 N HA 0.261 5.000 4.740 -0.001 0.000 0.266 122 N C 0.666 176.114 175.510 -0.104 0.000 1.223 122 N CA -0.445 52.470 53.050 -0.225 0.000 0.972 122 N CB 0.450 38.820 38.487 -0.194 0.000 1.207 122 N HN 0.505 nan 8.380 nan 0.000 0.525 123 K N -0.827 119.562 120.400 -0.018 0.000 3.167 123 K HA -0.119 4.200 4.320 -0.001 0.000 0.272 123 K C 0.659 177.257 176.600 -0.004 0.000 1.137 123 K CA 0.700 56.995 56.287 0.014 0.000 0.800 123 K CB -2.440 30.072 32.500 0.021 0.000 1.253 123 K HN 0.421 nan 8.250 nan 0.000 0.497 124 V N -1.627 118.281 119.914 -0.010 0.000 3.444 124 V HA -0.145 3.974 4.120 -0.001 0.000 0.271 124 V C 1.850 177.903 176.094 -0.068 0.000 1.188 124 V CA 1.682 63.960 62.300 -0.036 0.000 1.168 124 V CB -0.283 31.513 31.823 -0.044 0.000 0.810 124 V HN 0.404 nan 8.190 nan 0.000 0.500 125 D N 0.624 120.992 120.400 -0.052 0.000 2.363 125 D HA 0.021 4.661 4.640 -0.001 0.000 0.220 125 D C 0.772 177.039 176.300 -0.055 0.000 0.994 125 D CA 0.107 54.064 54.000 -0.071 0.000 0.890 125 D CB 0.022 40.778 40.800 -0.074 0.000 0.906 125 D HN 0.542 nan 8.370 nan 0.000 0.530 126 I N 1.125 121.675 120.570 -0.033 0.000 2.365 126 I HA 0.055 4.225 4.170 -0.001 0.000 0.291 126 I C 1.606 177.710 176.117 -0.022 0.000 1.004 126 I CA -0.740 60.548 61.300 -0.020 0.000 1.311 126 I CB 1.900 39.900 38.000 -0.000 0.000 1.401 126 I HN -0.238 nan 8.210 nan 0.000 0.491 127 K N 5.079 125.466 120.400 -0.021 0.000 2.009 127 K HA -0.199 4.121 4.320 -0.001 0.000 0.210 127 K C 0.693 177.286 176.600 -0.012 0.000 1.049 127 K CA 1.653 57.927 56.287 -0.021 0.000 0.929 127 K CB -0.051 32.438 32.500 -0.018 0.000 0.714 127 K HN 0.729 nan 8.250 nan 0.000 0.440 128 D N 1.206 121.603 120.400 -0.004 0.000 2.483 128 D HA 0.019 4.659 4.640 -0.001 0.000 0.220 128 D C -0.783 175.521 176.300 0.007 0.000 1.173 128 D CA -0.174 53.826 54.000 0.001 0.000 0.964 128 D CB 0.188 40.990 40.800 0.004 0.000 1.046 128 D HN 0.106 nan 8.370 nan 0.000 0.517 129 R N 1.851 122.354 120.500 0.003 0.000 2.347 129 R HA 0.084 4.423 4.340 -0.001 0.000 0.304 129 R C 1.051 177.359 176.300 0.012 0.000 1.072 129 R CA -0.372 55.735 56.100 0.011 0.000 0.980 129 R CB 1.053 31.355 30.300 0.003 0.000 0.986 129 R HN 0.281 nan 8.270 nan 0.000 0.448 130 K N 1.619 122.034 120.400 0.025 0.000 2.313 130 K HA 0.102 4.421 4.320 -0.001 0.000 0.197 130 K C 0.370 176.969 176.600 -0.001 0.000 1.061 130 K CA 0.559 56.856 56.287 0.017 0.000 0.980 130 K CB 0.604 33.123 32.500 0.032 0.000 0.888 130 K HN 0.256 nan 8.250 nan 0.000 0.502 131 V N 4.378 124.299 119.914 0.012 0.000 2.284 131 V HA 0.135 4.255 4.120 -0.001 0.000 0.260 131 V C 0.352 176.408 176.094 -0.064 0.000 1.084 131 V CA -0.566 61.698 62.300 -0.060 0.000 0.894 131 V CB 0.396 32.210 31.823 -0.015 0.000 1.119 131 V HN 0.014 nan 8.190 nan 0.000 0.484 132 K N 2.494 122.841 120.400 -0.089 0.000 2.138 132 K HA 0.487 4.807 4.320 -0.001 0.000 0.251 132 K C 1.528 178.061 176.600 -0.111 0.000 1.015 132 K CA 0.273 56.517 56.287 -0.071 0.000 0.917 132 K CB 1.189 33.656 32.500 -0.054 0.000 1.021 132 K HN 0.491 nan 8.250 nan 0.000 0.485 133 A N 1.963 124.739 122.820 -0.074 0.000 1.917 133 A HA -0.241 4.079 4.320 -0.001 0.000 0.219 133 A C 2.137 179.656 177.584 -0.108 0.000 1.182 133 A CA 2.129 54.111 52.037 -0.090 0.000 0.633 133 A CB -0.386 18.595 19.000 -0.033 0.000 0.819 133 A HN 0.810 nan 8.150 nan 0.000 0.448 134 K N -0.157 120.196 120.400 -0.078 0.000 2.001 134 K HA -0.183 4.136 4.320 -0.001 0.000 0.214 134 K C 2.229 178.775 176.600 -0.091 0.000 1.050 134 K CA 1.954 58.202 56.287 -0.065 0.000 0.934 134 K CB -0.344 32.127 32.500 -0.048 0.000 0.718 134 K HN 0.442 nan 8.250 nan 0.000 0.443 135 S N 0.963 116.585 115.700 -0.131 0.000 2.387 135 S HA -0.109 4.361 4.470 -0.001 0.000 0.230 135 S C 1.042 175.485 174.600 -0.262 0.000 1.035 135 S CA 0.941 59.037 58.200 -0.173 0.000 1.014 135 S CB -0.304 62.755 63.200 -0.236 0.000 0.836 135 S HN 0.290 nan 8.310 nan 0.000 0.466 136 I N 2.814 123.155 120.570 -0.383 0.000 2.574 136 I HA 0.024 4.193 4.170 -0.001 0.000 0.291 136 I C 0.796 176.887 176.117 -0.043 0.000 1.131 136 I CA -0.016 61.033 61.300 -0.419 0.000 1.352 136 I CB 0.411 38.030 38.000 -0.634 0.000 1.431 136 I HN 0.109 nan 8.210 nan 0.000 0.543 137 V N 2.623 122.633 119.914 0.161 0.000 3.432 137 V HA 0.076 4.196 4.120 -0.001 0.000 0.290 137 V C 1.322 177.486 176.094 0.117 0.000 1.591 137 V CA -0.050 62.325 62.300 0.124 0.000 1.069 137 V CB -0.508 31.325 31.823 0.016 0.000 0.892 137 V HN 0.569 nan 8.190 nan 0.000 0.436 138 F N 3.809 123.853 119.950 0.157 0.000 2.202 138 F HA -0.170 4.356 4.527 -0.001 0.000 0.301 138 F C 2.616 178.410 175.800 -0.010 0.000 1.082 138 F CA 2.581 60.596 58.000 0.024 0.000 1.313 138 F CB -0.149 38.835 39.000 -0.027 0.000 1.024 138 F HN 0.598 nan 8.300 nan 0.000 0.495 139 H N -0.558 118.502 119.070 -0.016 0.000 2.489 139 H HA -0.022 4.534 4.556 -0.001 0.000 0.293 139 H C 1.836 177.057 175.328 -0.178 0.000 1.066 139 H CA 1.133 57.124 56.048 -0.095 0.000 1.305 139 H CB -0.534 29.227 29.762 -0.003 0.000 1.386 139 H HN 0.223 nan 8.280 nan 0.000 0.551 140 R N 1.177 121.262 120.500 -0.691 0.000 2.066 140 R HA 0.011 4.350 4.340 -0.001 0.000 0.224 140 R C 2.355 178.442 176.300 -0.354 0.000 1.122 140 R CA 0.772 56.559 56.100 -0.521 0.000 0.974 140 R CB -0.355 29.650 30.300 -0.493 0.000 0.871 140 R HN 0.372 nan 8.270 nan 0.000 0.435 141 K N 0.846 121.015 120.400 -0.384 0.000 2.283 141 K HA -0.078 4.241 4.320 -0.001 0.000 0.202 141 K C 0.717 177.054 176.600 -0.438 0.000 1.048 141 K CA 1.119 57.187 56.287 -0.366 0.000 0.948 141 K CB 0.311 32.592 32.500 -0.365 0.000 0.742 141 K HN -0.138 nan 8.250 nan 0.000 0.458 142 K N 0.233 120.295 120.400 -0.564 0.000 2.447 142 K HA 0.109 4.428 4.320 -0.001 0.000 0.205 142 K C -0.390 176.073 176.600 -0.229 0.000 1.059 142 K CA -0.121 55.870 56.287 -0.494 0.000 1.065 142 K CB 0.576 32.485 32.500 -0.985 0.000 0.885 142 K HN 0.149 nan 8.250 nan 0.000 0.545 143 N N 1.668 120.257 118.700 -0.186 0.000 2.727 143 N HA -0.190 4.549 4.740 -0.001 0.000 0.251 143 N C -0.884 174.627 175.510 0.002 0.000 1.040 143 N CA 0.613 53.622 53.050 -0.069 0.000 0.712 143 N CB -1.047 37.429 38.487 -0.019 0.000 0.912 143 N HN 0.210 nan 8.380 nan 0.000 0.545 144 L N 0.140 121.351 121.223 -0.020 0.000 2.322 144 L HA 0.439 4.778 4.340 -0.001 0.000 0.269 144 L C 0.668 177.446 176.870 -0.154 0.000 1.012 144 L CA -0.875 53.960 54.840 -0.007 0.000 0.815 144 L CB 1.421 43.531 42.059 0.086 0.000 1.295 144 L HN 0.020 nan 8.230 nan 0.000 0.438 145 Q N 1.007 120.491 119.800 -0.527 0.000 2.261 145 Q HA 0.264 4.604 4.340 -0.001 0.000 0.252 145 Q C -1.583 174.048 176.000 -0.614 0.000 0.915 145 Q CA -0.008 55.270 55.803 -0.876 0.000 0.915 145 Q CB 1.025 28.505 28.738 -2.097 0.000 1.204 145 Q HN 0.367 nan 8.270 nan 0.000 0.421 146 Y N 3.921 123.781 120.300 -0.734 0.000 2.429 146 Y HA 0.596 5.146 4.550 -0.001 0.000 0.342 146 Y C -1.810 173.600 175.900 -0.817 0.000 1.004 146 Y CA -0.808 56.908 58.100 -0.640 0.000 1.075 146 Y CB 1.128 39.157 38.460 -0.719 0.000 1.214 146 Y HN 0.679 nan 8.280 nan 0.000 0.455 147 Y N 2.905 122.261 120.300 -1.574 0.000 2.479 147 Y HA 0.271 4.821 4.550 -0.001 0.000 0.338 147 Y C -0.833 174.366 175.900 -1.167 0.000 1.055 147 Y CA -1.477 55.963 58.100 -1.099 0.000 1.023 147 Y CB 1.501 39.590 38.460 -0.619 0.000 1.287 147 Y HN 0.552 nan 8.280 nan 0.000 0.447 148 D N 3.815 124.004 120.400 -0.352 0.000 2.304 148 D HA 0.535 5.175 4.640 -0.001 0.000 0.250 148 D C -0.242 176.067 176.300 0.015 0.000 1.107 148 D CA 0.295 54.272 54.000 -0.039 0.000 0.885 148 D CB 0.900 41.858 40.800 0.264 0.000 1.192 148 D HN 0.576 nan 8.370 nan 0.000 0.436 149 I N -2.034 118.535 120.570 -0.002 0.000 3.191 149 I HA 0.649 4.818 4.170 -0.001 0.000 0.313 149 I C -0.930 175.270 176.117 0.138 0.000 1.193 149 I CA -0.875 60.465 61.300 0.066 0.000 0.968 149 I CB 2.479 40.427 38.000 -0.087 0.000 1.262 149 I HN 0.153 nan 8.210 nan 0.000 0.456 150 S N 1.624 117.455 115.700 0.218 0.000 2.750 150 S HA 0.673 5.143 4.470 -0.001 0.000 0.276 150 S C 0.379 175.126 174.600 0.244 0.000 1.165 150 S CA 0.050 58.358 58.200 0.180 0.000 1.047 150 S CB 1.509 64.785 63.200 0.127 0.000 1.056 150 S HN 1.040 nan 8.310 nan 0.000 0.481 151 A N 4.419 127.430 122.820 0.318 0.000 2.067 151 A HA 0.014 4.333 4.320 -0.001 0.000 0.219 151 A C 1.930 179.694 177.584 0.301 0.000 1.158 151 A CA 1.696 53.995 52.037 0.437 0.000 0.661 151 A CB -0.365 18.948 19.000 0.521 0.000 0.801 151 A HN 0.683 nan 8.150 nan 0.000 0.452 152 K N 0.680 121.164 120.400 0.140 0.000 2.067 152 K HA -0.038 4.281 4.320 -0.001 0.000 0.203 152 K C 2.012 178.452 176.600 -0.268 0.000 1.048 152 K CA 1.910 57.994 56.287 -0.339 0.000 0.954 152 K CB -0.344 31.819 32.500 -0.561 0.000 0.737 152 K HN 0.452 nan 8.250 nan 0.000 0.444 153 S N -0.738 114.886 115.700 -0.127 0.000 2.535 153 S HA 0.123 4.592 4.470 -0.001 0.000 0.214 153 S C 0.083 174.642 174.600 -0.069 0.000 0.980 153 S CA 0.326 58.465 58.200 -0.102 0.000 0.907 153 S CB -0.363 62.802 63.200 -0.058 0.000 0.790 153 S HN 0.438 nan 8.310 nan 0.000 0.510 154 N N -0.783 117.875 118.700 -0.071 0.000 2.850 154 N HA -0.207 4.532 4.740 -0.001 0.000 0.249 154 N C -0.546 175.028 175.510 0.106 0.000 1.060 154 N CA 0.927 53.893 53.050 -0.140 0.000 0.825 154 N CB -2.293 35.961 38.487 -0.389 0.000 1.132 154 N HN 0.709 nan 8.380 nan 0.000 0.564 155 Y N 1.918 122.234 120.300 0.027 0.000 2.632 155 Y HA 0.075 4.624 4.550 -0.001 0.000 0.329 155 Y C 1.133 177.083 175.900 0.083 0.000 1.174 155 Y CA 0.841 58.964 58.100 0.039 0.000 1.469 155 Y CB -0.279 38.186 38.460 0.008 0.000 1.242 155 Y HN 0.292 nan 8.280 nan 0.000 0.540 156 N N 3.984 122.402 118.700 -0.470 0.000 2.713 156 N HA -0.385 4.355 4.740 -0.001 0.000 0.251 156 N C 0.950 176.405 175.510 -0.091 0.000 1.117 156 N CA 0.740 53.524 53.050 -0.444 0.000 0.770 156 N CB -1.329 36.745 38.487 -0.688 0.000 1.137 156 N HN 0.808 nan 8.380 nan 0.000 0.566 157 F N 1.105 121.033 119.950 -0.038 0.000 2.082 157 F HA -0.324 4.203 4.527 -0.001 0.000 0.298 157 F C 2.096 178.109 175.800 0.355 0.000 1.091 157 F CA 2.013 60.119 58.000 0.176 0.000 1.230 157 F CB 0.106 39.140 39.000 0.057 0.000 0.983 157 F HN 0.242 nan 8.300 nan 0.000 0.485 158 E N -0.773 119.518 120.200 0.151 0.000 2.452 158 E HA -0.071 4.279 4.350 -0.001 0.000 0.197 158 E C 1.841 178.346 176.600 -0.158 0.000 1.022 158 E CA -0.151 56.319 56.400 0.117 0.000 0.890 158 E CB 0.116 29.931 29.700 0.192 0.000 0.918 158 E HN 0.306 nan 8.360 nan 0.000 0.496 159 K N 0.818 121.002 120.400 -0.360 0.000 2.089 159 K HA -0.159 4.161 4.320 -0.001 0.000 0.210 159 K C -0.795 175.430 176.600 -0.626 0.000 1.048 159 K CA 1.452 57.314 56.287 -0.708 0.000 0.926 159 K CB -1.518 30.154 32.500 -1.380 0.000 0.714 159 K HN 0.171 nan 8.250 nan 0.000 0.448 160 P HA -0.107 nan 4.420 nan 0.000 0.215 160 P C 1.379 178.468 177.300 -0.352 0.000 1.157 160 P CA 1.204 64.085 63.100 -0.365 0.000 0.863 160 P CB -0.114 31.275 31.700 -0.519 0.000 0.787 161 F N -1.378 118.414 119.950 -0.263 0.000 2.186 161 F HA -0.070 4.457 4.527 -0.001 0.000 0.299 161 F C 2.188 177.842 175.800 -0.243 0.000 1.090 161 F CA 0.744 58.504 58.000 -0.400 0.000 1.307 161 F CB -1.467 37.182 39.000 -0.584 0.000 1.019 161 F HN -0.161 nan 8.300 nan 0.000 0.489 162 L N -0.801 120.204 121.223 -0.364 0.000 2.017 162 L HA -0.192 4.148 4.340 -0.001 0.000 0.208 162 L C 2.167 178.922 176.870 -0.192 0.000 1.073 162 L CA 1.729 56.150 54.840 -0.698 0.000 0.745 162 L CB -1.113 40.425 42.059 -0.869 0.000 0.894 162 L HN 0.322 nan 8.230 nan 0.000 0.432 163 W N -0.095 121.081 121.300 -0.207 0.000 2.355 163 W HA -0.200 4.460 4.660 -0.000 0.000 0.309 163 W C 2.269 178.761 176.519 -0.044 0.000 1.206 163 W CA 2.042 59.345 57.345 -0.070 0.000 1.284 163 W CB -0.232 29.258 29.460 0.050 0.000 1.145 163 W HN 0.120 nan 8.180 nan 0.000 0.502 164 L N 0.377 121.684 121.223 0.141 0.000 2.046 164 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 164 L C 2.696 179.532 176.870 -0.058 0.000 1.077 164 L CA 1.418 56.256 54.840 -0.004 0.000 0.747 164 L CB -1.407 40.705 42.059 0.088 0.000 0.896 164 L HN 0.107 nan 8.230 nan 0.000 0.432 165 A N 0.115 123.014 122.820 0.132 0.000 1.902 165 A HA -0.205 4.114 4.320 -0.001 0.000 0.217 165 A C 2.381 179.928 177.584 -0.062 0.000 1.181 165 A CA 1.500 53.617 52.037 0.133 0.000 0.623 165 A CB -0.429 18.810 19.000 0.399 0.000 0.818 165 A HN 0.317 nan 8.150 nan 0.000 0.443 166 R N -0.943 119.476 120.500 -0.136 0.000 2.075 166 R HA -0.083 4.257 4.340 -0.001 0.000 0.232 166 R C 2.247 178.383 176.300 -0.273 0.000 1.126 166 R CA 1.555 57.547 56.100 -0.180 0.000 0.963 166 R CB -0.187 29.992 30.300 -0.202 0.000 0.858 166 R HN 0.348 nan 8.270 nan 0.000 0.435 167 K N 0.804 120.924 120.400 -0.466 0.000 2.097 167 K HA -0.037 4.282 4.320 -0.001 0.000 0.205 167 K C 1.816 178.225 176.600 -0.319 0.000 1.050 167 K CA 1.160 57.135 56.287 -0.519 0.000 0.938 167 K CB -0.084 31.860 32.500 -0.926 0.000 0.718 167 K HN 0.081 nan 8.250 nan 0.000 0.442 168 L N -0.060 120.977 121.223 -0.310 0.000 2.095 168 L HA -0.060 4.280 4.340 -0.001 0.000 0.204 168 L C 1.691 178.478 176.870 -0.139 0.000 1.080 168 L CA 0.511 55.173 54.840 -0.297 0.000 0.759 168 L CB -0.238 41.408 42.059 -0.687 0.000 0.914 168 L HN 0.130 nan 8.230 nan 0.000 0.439 169 I N 0.022 120.530 120.570 -0.103 0.000 3.251 169 I HA 0.046 4.216 4.170 -0.001 0.000 0.277 169 I C 1.535 177.636 176.117 -0.027 0.000 1.268 169 I CA 0.815 62.113 61.300 -0.004 0.000 1.449 169 I CB -1.486 36.530 38.000 0.027 0.000 1.083 169 I HN 0.407 nan 8.210 nan 0.000 0.464 170 G N 2.389 111.143 108.800 -0.077 0.000 2.273 170 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.280 170 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.280 170 G C -0.062 174.807 174.900 -0.052 0.000 1.047 170 G CA 0.567 45.623 45.100 -0.073 0.000 0.869 170 G HN 0.427 nan 8.290 nan 0.000 0.502 171 D N -0.690 119.677 120.400 -0.056 0.000 2.421 171 D HA 0.480 5.120 4.640 -0.001 0.000 0.254 171 D C -1.187 175.088 176.300 -0.042 0.000 1.238 171 D CA -2.110 51.871 54.000 -0.032 0.000 0.919 171 D CB 1.580 42.377 40.800 -0.005 0.000 1.152 171 D HN 0.034 nan 8.370 nan 0.000 0.552 172 P HA -0.010 nan 4.420 nan 0.000 0.222 172 P C 0.315 177.605 177.300 -0.016 0.000 1.147 172 P CA 0.845 63.926 63.100 -0.033 0.000 0.790 172 P CB 0.344 32.034 31.700 -0.016 0.000 0.780 173 N N -1.305 117.392 118.700 -0.005 0.000 2.353 173 N HA 0.049 4.788 4.740 -0.001 0.000 0.185 173 N C 0.256 175.776 175.510 0.017 0.000 1.098 173 N CA -0.234 52.821 53.050 0.007 0.000 0.872 173 N CB -0.404 38.091 38.487 0.014 0.000 0.970 173 N HN 0.062 nan 8.380 nan 0.000 0.467 174 L N 1.801 123.034 121.223 0.016 0.000 2.540 174 L HA 0.025 4.364 4.340 -0.001 0.000 0.276 174 L C -0.178 176.722 176.870 0.049 0.000 1.212 174 L CA 0.554 55.425 54.840 0.052 0.000 0.893 174 L CB 0.274 42.369 42.059 0.061 0.000 1.138 174 L HN 0.080 nan 8.230 nan 0.000 0.491 175 E N 4.312 124.582 120.200 0.116 0.000 2.312 175 E HA 0.390 4.739 4.350 -0.001 0.000 0.267 175 E C -0.854 175.954 176.600 0.346 0.000 0.894 175 E CA -0.598 55.879 56.400 0.128 0.000 0.773 175 E CB 1.500 31.258 29.700 0.097 0.000 1.241 175 E HN 0.323 nan 8.360 nan 0.000 0.432 176 F N 0.000 119.980 119.950 0.050 0.000 2.286 176 F HA 0.000 4.527 4.527 -0.001 0.000 0.279 176 F CA 0.000 58.056 58.000 0.094 0.000 1.383 176 F CB 0.000 39.046 39.000 0.077 0.000 1.145 176 F HN 0.000 nan 8.300 nan 0.000 0.574