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 1b8h_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKLSKDTIAI LKNFASINSG ILLSQGKFIM TRAVNGTTYA EANISDEIDF DATA SEQUENCE DVALYDLNSF LSILSLVSDD AEISMHTDGN IKIADTRSTV YWPAADKSTI DATA SEQUENCE VFPNKPIQFP VASVITEIKA EDLQQLLRVS RGLQIDTIAI TNKDGKIVIN DATA SEQUENCE GYNKVEDSGL TRPKYSLTLT DYDGSNNFNF VINMANMKIQ PGNYKVMLWG DATA SEQUENCE AGDKVAAKFE SSQVSYVIAM EADSTHDF 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 0.000 176.340 176.300 0.067 0.000 1.140 1 M CA 0.000 55.369 55.300 0.115 0.000 0.988 1 M CB 0.000 32.709 32.600 0.182 0.000 1.302 2 K N 4.617 125.033 120.400 0.026 0.000 2.468 2 K HA 0.709 5.029 4.320 0.000 0.000 0.252 2 K C -1.626 174.961 176.600 -0.021 0.000 0.932 2 K CA -0.793 55.494 56.287 -0.001 0.000 0.794 2 K CB 2.763 35.257 32.500 -0.010 0.000 1.241 2 K HN 0.603 nan 8.250 nan 0.000 0.428 3 L N 2.371 123.572 121.223 -0.037 0.000 2.305 3 L HA 0.310 4.650 4.340 0.000 0.000 0.284 3 L C 0.573 177.404 176.870 -0.066 0.000 1.013 3 L CA -0.690 54.117 54.840 -0.055 0.000 0.819 3 L CB 1.706 43.731 42.059 -0.057 0.000 1.227 3 L HN 0.742 nan 8.230 nan 0.000 0.417 4 S N 2.288 117.948 115.700 -0.065 0.000 2.608 4 S HA 0.232 4.702 4.470 0.000 0.000 0.261 4 S C 1.084 175.641 174.600 -0.071 0.000 1.314 4 S CA -0.670 57.492 58.200 -0.063 0.000 0.992 4 S CB 1.099 64.266 63.200 -0.056 0.000 0.935 4 S HN 0.508 nan 8.310 nan 0.000 0.564 5 K N 0.815 121.177 120.400 -0.063 0.000 2.103 5 K HA -0.113 4.207 4.320 0.000 0.000 0.207 5 K C 1.436 177.997 176.600 -0.066 0.000 1.048 5 K CA 1.606 57.855 56.287 -0.063 0.000 0.930 5 K CB -0.736 31.734 32.500 -0.051 0.000 0.716 5 K HN 0.653 nan 8.250 nan 0.000 0.444 6 D N -0.026 120.334 120.400 -0.066 0.000 2.123 6 D HA -0.069 4.571 4.640 0.000 0.000 0.200 6 D C 1.840 178.079 176.300 -0.101 0.000 0.976 6 D CA 1.151 55.108 54.000 -0.072 0.000 0.831 6 D CB -0.211 40.550 40.800 -0.064 0.000 0.974 6 D HN 0.134 nan 8.370 nan 0.000 0.469 7 T N 1.265 115.753 114.554 -0.110 0.000 2.737 7 T HA -0.045 4.305 4.350 0.000 0.000 0.265 7 T C 2.223 176.827 174.700 -0.161 0.000 1.038 7 T CA 0.483 62.494 62.100 -0.149 0.000 1.144 7 T CB -0.199 68.589 68.868 -0.133 0.000 0.866 7 T HN 0.130 nan 8.240 nan 0.000 0.434 8 I N 1.423 121.919 120.570 -0.122 0.000 2.264 8 I HA -0.238 3.932 4.170 0.000 0.000 0.248 8 I C 2.877 178.928 176.117 -0.109 0.000 1.111 8 I CA 1.121 62.353 61.300 -0.112 0.000 1.382 8 I CB -0.498 37.441 38.000 -0.101 0.000 1.060 8 I HN 0.205 nan 8.210 nan 0.000 0.418 9 A N 1.108 123.869 122.820 -0.098 0.000 1.902 9 A HA -0.179 4.141 4.320 0.000 0.000 0.217 9 A C 2.280 179.812 177.584 -0.087 0.000 1.181 9 A CA 1.535 53.528 52.037 -0.073 0.000 0.623 9 A CB -0.735 18.231 19.000 -0.056 0.000 0.818 9 A HN 0.404 nan 8.150 nan 0.000 0.443 10 I N -0.648 119.825 120.570 -0.162 0.000 2.252 10 I HA -0.221 3.949 4.170 0.000 0.000 0.245 10 I C 2.297 178.178 176.117 -0.394 0.000 1.102 10 I CA 1.014 62.154 61.300 -0.268 0.000 1.385 10 I CB -0.353 37.395 38.000 -0.419 0.000 1.064 10 I HN 0.262 nan 8.210 nan 0.000 0.414 11 L N 0.676 121.679 121.223 -0.366 0.000 2.141 11 L HA -0.193 4.147 4.340 0.000 0.000 0.209 11 L C 2.569 179.400 176.870 -0.064 0.000 1.094 11 L CA 1.234 55.905 54.840 -0.283 0.000 0.763 11 L CB -0.454 41.482 42.059 -0.204 0.000 0.908 11 L HN 0.193 nan 8.230 nan 0.000 0.437 12 K N 0.230 120.603 120.400 -0.046 0.000 2.148 12 K HA -0.207 4.113 4.320 0.000 0.000 0.204 12 K C 2.060 178.697 176.600 0.061 0.000 1.050 12 K CA 1.223 57.514 56.287 0.006 0.000 0.942 12 K CB -0.064 32.429 32.500 -0.011 0.000 0.724 12 K HN 0.262 nan 8.250 nan 0.000 0.446 13 N N 0.028 118.787 118.700 0.098 0.000 2.135 13 N HA -0.149 4.591 4.740 0.000 0.000 0.186 13 N C 1.564 177.257 175.510 0.305 0.000 1.027 13 N CA 1.172 54.340 53.050 0.196 0.000 0.849 13 N CB -0.118 38.529 38.487 0.268 0.000 1.002 13 N HN 0.086 nan 8.380 nan 0.000 0.425 14 F N 1.827 121.780 119.950 0.004 0.000 2.202 14 F HA 0.029 4.556 4.527 0.000 0.000 0.301 14 F C 2.578 178.368 175.800 -0.016 0.000 1.082 14 F CA 0.586 58.578 58.000 -0.014 0.000 1.313 14 F CB -1.167 37.793 39.000 -0.066 0.000 1.024 14 F HN 0.108 nan 8.300 nan 0.000 0.495 15 A N -0.290 122.641 122.820 0.185 0.000 2.019 15 A HA -0.185 4.135 4.320 0.000 0.000 0.219 15 A C 2.365 179.982 177.584 0.054 0.000 1.164 15 A CA 1.946 54.038 52.037 0.090 0.000 0.644 15 A CB -0.989 18.050 19.000 0.065 0.000 0.805 15 A HN 0.409 nan 8.150 nan 0.000 0.449 16 S N -0.499 115.235 115.700 0.057 0.000 2.436 16 S HA 0.052 4.522 4.470 0.000 0.000 0.228 16 S C 1.738 176.336 174.600 -0.003 0.000 1.014 16 S CA 0.996 59.208 58.200 0.020 0.000 0.950 16 S CB -0.532 62.675 63.200 0.012 0.000 0.784 16 S HN 0.486 nan 8.310 nan 0.000 0.504 17 I N 1.311 121.880 120.570 -0.002 0.000 2.584 17 I HA 0.133 4.303 4.170 0.000 0.000 0.255 17 I C 0.744 176.842 176.117 -0.032 0.000 1.145 17 I CA 0.418 61.693 61.300 -0.041 0.000 1.462 17 I CB -0.064 37.879 38.000 -0.095 0.000 1.102 17 I HN 0.333 nan 8.210 nan 0.000 0.433 18 N N -0.421 118.272 118.700 -0.012 0.000 2.452 18 N HA 0.031 4.771 4.740 0.000 0.000 0.277 18 N C 0.523 176.031 175.510 -0.004 0.000 1.078 18 N CA 0.186 53.231 53.050 -0.008 0.000 0.947 18 N CB 1.707 40.195 38.487 0.001 0.000 1.655 18 N HN -0.063 nan 8.380 nan 0.000 0.490 19 S N 0.945 116.624 115.700 -0.035 0.000 2.423 19 S HA 0.087 4.557 4.470 0.000 0.000 0.231 19 S C 1.020 175.581 174.600 -0.065 0.000 1.014 19 S CA 0.931 59.098 58.200 -0.056 0.000 0.965 19 S CB -0.152 62.979 63.200 -0.114 0.000 0.785 19 S HN 0.585 nan 8.310 nan 0.000 0.495 20 G N 0.092 108.853 108.800 -0.065 0.000 2.552 20 G HA2 0.763 4.723 3.960 0.000 0.000 0.324 20 G HA3 0.763 4.723 3.960 0.000 0.000 0.324 20 G C -1.187 173.733 174.900 0.033 0.000 1.217 20 G CA -0.953 44.130 45.100 -0.028 0.000 0.989 20 G HN 0.480 nan 8.290 nan 0.000 0.490 21 I N -0.777 119.815 120.570 0.036 0.000 2.800 21 I HA 0.359 4.529 4.170 0.000 0.000 0.294 21 I C -1.892 174.198 176.117 -0.045 0.000 1.538 21 I CA -0.864 60.456 61.300 0.032 0.000 1.010 21 I CB 2.151 40.166 38.000 0.026 0.000 1.381 21 I HN 0.510 nan 8.210 nan 0.000 0.462 22 L N 7.482 128.644 121.223 -0.102 0.000 2.280 22 L HA 0.578 4.918 4.340 0.000 0.000 0.287 22 L C -1.401 175.345 176.870 -0.207 0.000 1.023 22 L CA -0.415 54.264 54.840 -0.269 0.000 0.819 22 L CB 1.047 42.692 42.059 -0.690 0.000 1.212 22 L HN 0.491 nan 8.230 nan 0.000 0.420 23 L N 4.566 125.661 121.223 -0.212 0.000 2.276 23 L HA 0.443 4.783 4.340 0.000 0.000 0.286 23 L C -0.019 176.736 176.870 -0.191 0.000 1.061 23 L CA -0.163 54.552 54.840 -0.208 0.000 0.807 23 L CB 1.430 43.322 42.059 -0.278 0.000 1.177 23 L HN 0.616 nan 8.230 nan 0.000 0.429 24 S N 2.067 117.691 115.700 -0.125 0.000 2.473 24 S HA 0.179 4.649 4.470 0.000 0.000 0.307 24 S C -0.391 174.178 174.600 -0.052 0.000 1.094 24 S CA -0.609 57.548 58.200 -0.072 0.000 1.070 24 S CB 1.668 64.866 63.200 -0.004 0.000 1.019 24 S HN 0.595 nan 8.310 nan 0.000 0.480 25 Q N 1.967 121.739 119.800 -0.046 0.000 2.586 25 Q HA 0.275 4.615 4.340 0.000 0.000 0.312 25 Q C 0.422 176.428 176.000 0.008 0.000 1.165 25 Q CA 0.560 56.350 55.803 -0.021 0.000 1.065 25 Q CB -0.657 28.091 28.738 0.017 0.000 1.054 25 Q HN 0.922 nan 8.270 nan 0.000 0.408 26 G N 3.109 111.912 108.800 0.005 0.000 2.452 26 G HA2 0.087 4.047 3.960 0.000 0.000 0.224 26 G HA3 0.087 4.047 3.960 0.000 0.000 0.224 26 G C -1.035 173.881 174.900 0.026 0.000 1.208 26 G CA -0.622 44.498 45.100 0.033 0.000 0.946 26 G HN 0.406 nan 8.290 nan 0.000 0.481 27 K N -0.389 120.049 120.400 0.063 0.000 2.619 27 K HA 0.308 4.628 4.320 0.000 0.000 0.201 27 K C -1.116 175.539 176.600 0.091 0.000 1.090 27 K CA -0.127 56.184 56.287 0.040 0.000 1.063 27 K CB 1.243 33.760 32.500 0.028 0.000 0.810 27 K HN 0.255 nan 8.250 nan 0.000 0.506 28 F N 2.708 122.633 119.950 -0.042 0.000 2.518 28 F HA 0.497 5.024 4.527 0.000 0.000 0.323 28 F C -0.813 174.971 175.800 -0.027 0.000 1.129 28 F CA -1.242 56.742 58.000 -0.028 0.000 0.920 28 F CB 0.940 39.937 39.000 -0.005 0.000 1.160 28 F HN -0.070 nan 8.300 nan 0.000 0.440 29 I N 5.956 126.048 120.570 -0.798 0.000 2.646 29 I HA 0.738 4.908 4.170 0.000 0.000 0.299 29 I C -1.141 174.568 176.117 -0.680 0.000 1.036 29 I CA -1.063 59.892 61.300 -0.574 0.000 1.074 29 I CB 2.221 39.998 38.000 -0.371 0.000 1.258 29 I HN 0.834 nan 8.210 nan 0.000 0.430 30 M N 3.252 122.678 119.600 -0.289 0.000 2.520 30 M HA 0.708 5.188 4.480 0.000 0.000 0.280 30 M C -1.424 174.835 176.300 -0.068 0.000 1.232 30 M CA -0.317 54.865 55.300 -0.196 0.000 0.892 30 M CB 2.541 35.092 32.600 -0.082 0.000 1.728 30 M HN 0.702 nan 8.290 nan 0.000 0.475 31 T N 0.376 114.752 114.554 -0.298 0.000 2.868 31 T HA 0.741 5.091 4.350 0.000 0.000 0.306 31 T C -1.870 172.743 174.700 -0.145 0.000 1.224 31 T CA -0.585 61.422 62.100 -0.156 0.000 1.012 31 T CB 2.534 71.289 68.868 -0.189 0.000 1.221 31 T HN 0.928 nan 8.240 nan 0.000 0.499 32 R N 1.007 121.525 120.500 0.031 0.000 2.807 32 R HA 0.850 5.190 4.340 0.000 0.000 0.276 32 R C -0.792 175.527 176.300 0.032 0.000 0.979 32 R CA -0.476 55.686 56.100 0.102 0.000 0.928 32 R CB 1.677 32.078 30.300 0.168 0.000 1.191 32 R HN 0.787 nan 8.270 nan 0.000 0.471 33 A N 2.205 125.043 122.820 0.029 0.000 2.354 33 A HA 0.243 4.563 4.320 0.000 0.000 0.269 33 A C 1.018 178.611 177.584 0.015 0.000 1.109 33 A CA -0.565 51.476 52.037 0.006 0.000 0.800 33 A CB 0.715 19.716 19.000 0.002 0.000 1.045 33 A HN 0.650 nan 8.150 nan 0.000 0.489 34 V N 1.962 121.879 119.914 0.005 0.000 2.317 34 V HA -0.243 3.877 4.120 0.000 0.000 0.251 34 V C 1.671 177.767 176.094 0.002 0.000 1.065 34 V CA 2.326 64.627 62.300 0.002 0.000 1.049 34 V CB -0.919 30.904 31.823 -0.001 0.000 0.651 34 V HN 1.020 nan 8.190 nan 0.000 0.450 35 N N 0.549 119.252 118.700 0.005 0.000 2.802 35 N HA 0.167 4.907 4.740 0.000 0.000 0.288 35 N C 1.230 176.749 175.510 0.016 0.000 1.268 35 N CA 0.547 53.601 53.050 0.007 0.000 1.035 35 N CB -0.041 38.449 38.487 0.005 0.000 1.353 35 N HN 0.435 nan 8.380 nan 0.000 0.522 36 G N 0.699 109.512 108.800 0.023 0.000 2.302 36 G HA2 -0.482 3.478 3.960 0.000 0.000 0.292 36 G HA3 -0.482 3.478 3.960 0.000 0.000 0.292 36 G C 1.198 176.127 174.900 0.049 0.000 1.005 36 G CA 1.838 46.961 45.100 0.039 0.000 0.708 36 G HN 0.660 nan 8.290 nan 0.000 0.527 37 T N -2.659 111.916 114.554 0.035 0.000 2.595 37 T HA 0.067 4.417 4.350 0.000 0.000 0.264 37 T C 1.219 175.948 174.700 0.048 0.000 1.058 37 T CA 1.920 64.039 62.100 0.033 0.000 1.166 37 T CB -0.213 68.661 68.868 0.010 0.000 0.863 37 T HN 0.467 nan 8.240 nan 0.000 0.415 38 T N 1.113 115.691 114.554 0.039 0.000 2.856 38 T HA 0.552 4.902 4.350 0.000 0.000 0.283 38 T C -1.691 173.072 174.700 0.105 0.000 1.008 38 T CA -0.624 61.507 62.100 0.052 0.000 0.997 38 T CB 1.646 70.499 68.868 -0.026 0.000 0.992 38 T HN 0.419 nan 8.240 nan 0.000 0.454 39 Y N 1.526 121.830 120.300 0.007 0.000 2.391 39 Y HA 0.673 5.223 4.550 0.000 0.000 0.341 39 Y C -1.072 174.807 175.900 -0.036 0.000 0.965 39 Y CA -0.890 57.199 58.100 -0.019 0.000 1.067 39 Y CB 1.106 39.577 38.460 0.018 0.000 1.199 39 Y HN 0.896 nan 8.280 nan 0.000 0.450 40 A N 5.206 127.410 122.820 -1.027 0.000 2.498 40 A HA 0.811 5.131 4.320 0.000 0.000 0.298 40 A C -1.530 175.378 177.584 -1.126 0.000 1.075 40 A CA -0.636 50.800 52.037 -1.002 0.000 0.714 40 A CB 1.691 20.072 19.000 -1.033 0.000 1.299 40 A HN 0.834 nan 8.150 nan 0.000 0.407 41 E N -0.008 119.826 120.200 -0.610 0.000 2.390 41 E HA 0.776 5.126 4.350 0.000 0.000 0.280 41 E C -0.910 175.629 176.600 -0.101 0.000 0.992 41 E CA -0.792 55.434 56.400 -0.289 0.000 0.790 41 E CB 1.929 31.573 29.700 -0.094 0.000 1.248 41 E HN 1.733 nan 8.360 nan 0.000 0.447 42 A N 1.791 124.511 122.820 -0.167 0.000 2.608 42 A HA 0.541 4.861 4.320 0.000 0.000 0.292 42 A C -1.732 175.764 177.584 -0.147 0.000 1.066 42 A CA -0.954 51.011 52.037 -0.120 0.000 0.676 42 A CB 1.532 20.446 19.000 -0.144 0.000 1.277 42 A HN 0.670 nan 8.150 nan 0.000 0.413 43 N N 0.655 119.334 118.700 -0.035 0.000 2.408 43 N HA 0.625 5.365 4.740 0.000 0.000 0.280 43 N C -0.360 175.118 175.510 -0.054 0.000 1.002 43 N CA -0.546 52.512 53.050 0.014 0.000 0.907 43 N CB 1.800 40.339 38.487 0.085 0.000 1.161 43 N HN 0.730 nan 8.380 nan 0.000 0.488 44 I N -1.204 119.323 120.570 -0.072 0.000 2.822 44 I HA 0.425 4.595 4.170 0.000 0.000 0.312 44 I C 1.130 177.215 176.117 -0.053 0.000 1.011 44 I CA -0.719 60.528 61.300 -0.089 0.000 1.105 44 I CB 1.838 39.758 38.000 -0.133 0.000 1.291 44 I HN 0.439 nan 8.210 nan 0.000 0.474 45 S N 0.119 115.787 115.700 -0.054 0.000 2.501 45 S HA 0.102 4.572 4.470 0.000 0.000 0.220 45 S C 0.355 174.934 174.600 -0.036 0.000 0.997 45 S CA -0.134 58.043 58.200 -0.038 0.000 0.919 45 S CB -0.470 62.707 63.200 -0.037 0.000 0.778 45 S HN 0.711 nan 8.310 nan 0.000 0.523 46 D N 2.312 122.682 120.400 -0.049 0.000 2.302 46 D HA 0.240 4.880 4.640 0.000 0.000 0.248 46 D C -0.383 175.893 176.300 -0.039 0.000 1.094 46 D CA 0.073 54.047 54.000 -0.044 0.000 0.897 46 D CB 1.065 41.830 40.800 -0.057 0.000 1.200 46 D HN 0.466 nan 8.370 nan 0.000 0.429 47 E N 2.129 122.314 120.200 -0.025 0.000 2.134 47 E HA 0.260 4.610 4.350 0.000 0.000 0.278 47 E C -0.425 176.160 176.600 -0.027 0.000 0.959 47 E CA -0.602 55.788 56.400 -0.018 0.000 0.783 47 E CB 0.758 30.457 29.700 -0.001 0.000 1.095 47 E HN 0.359 nan 8.360 nan 0.000 0.399 48 I N 5.197 125.735 120.570 -0.053 0.000 2.363 48 I HA 0.013 4.183 4.170 0.000 0.000 0.292 48 I C 0.420 176.503 176.117 -0.057 0.000 1.075 48 I CA -0.206 61.031 61.300 -0.106 0.000 1.333 48 I CB 0.540 38.443 38.000 -0.162 0.000 1.415 48 I HN 0.598 nan 8.210 nan 0.000 0.502 49 D N 6.300 126.710 120.400 0.017 0.000 2.328 49 D HA 0.048 4.688 4.640 0.000 0.000 0.221 49 D C -0.240 176.216 176.300 0.261 0.000 1.072 49 D CA -0.028 54.049 54.000 0.129 0.000 0.850 49 D CB -0.046 40.853 40.800 0.165 0.000 0.922 49 D HN 0.305 nan 8.370 nan 0.000 0.516 50 F N -1.723 118.228 119.950 0.001 0.000 2.672 50 F HA 0.458 4.985 4.527 0.000 0.000 0.311 50 F C -1.759 174.033 175.800 -0.013 0.000 1.113 50 F CA -1.647 56.353 58.000 0.000 0.000 0.996 50 F CB 0.576 39.581 39.000 0.009 0.000 1.286 50 F HN -0.398 nan 8.300 nan 0.000 0.441 51 D N 2.746 123.182 120.400 0.061 0.000 2.343 51 D HA 0.481 5.121 4.640 0.000 0.000 0.255 51 D C -0.726 175.578 176.300 0.007 0.000 1.187 51 D CA 0.059 54.032 54.000 -0.044 0.000 0.875 51 D CB 1.831 42.628 40.800 -0.005 0.000 1.136 51 D HN 0.689 nan 8.370 nan 0.000 0.469 52 V N 0.907 120.746 119.914 -0.126 0.000 3.048 52 V HA 0.762 4.882 4.120 0.000 0.000 0.303 52 V C -1.547 174.473 176.094 -0.123 0.000 1.214 52 V CA -0.750 61.521 62.300 -0.048 0.000 0.984 52 V CB 2.009 33.851 31.823 0.031 0.000 1.054 52 V HN 0.639 nan 8.190 nan 0.000 0.430 53 A N 6.079 128.859 122.820 -0.065 0.000 2.337 53 A HA 0.928 5.248 4.320 0.000 0.000 0.329 53 A C -1.238 176.338 177.584 -0.012 0.000 1.146 53 A CA -0.642 51.352 52.037 -0.071 0.000 0.800 53 A CB 1.176 20.150 19.000 -0.043 0.000 1.220 53 A HN 0.910 nan 8.150 nan 0.000 0.472 54 L N 1.746 122.957 121.223 -0.021 0.000 2.362 54 L HA 0.341 4.681 4.340 0.000 0.000 0.275 54 L C 0.406 177.364 176.870 0.147 0.000 0.998 54 L CA -0.499 54.362 54.840 0.034 0.000 0.820 54 L CB 1.724 43.695 42.059 -0.146 0.000 1.270 54 L HN 0.980 nan 8.230 nan 0.000 0.415 55 Y N 1.206 121.575 120.300 0.115 0.000 2.269 55 Y HA 0.013 4.563 4.550 0.000 0.000 0.294 55 Y C 1.020 177.004 175.900 0.139 0.000 1.120 55 Y CA 1.052 59.223 58.100 0.118 0.000 1.159 55 Y CB 0.505 39.030 38.460 0.109 0.000 1.024 55 Y HN 0.575 nan 8.280 nan 0.000 0.532 56 D N 0.621 121.180 120.400 0.265 0.000 2.551 56 D HA 0.076 4.716 4.640 0.000 0.000 0.294 56 D C 1.044 177.475 176.300 0.218 0.000 1.201 56 D CA -0.129 53.993 54.000 0.202 0.000 0.941 56 D CB 0.163 41.182 40.800 0.366 0.000 0.995 56 D HN 0.312 nan 8.370 nan 0.000 0.502 57 L N 3.216 124.495 121.223 0.094 0.000 2.137 57 L HA -0.163 4.177 4.340 0.000 0.000 0.213 57 L C 1.502 178.433 176.870 0.102 0.000 1.085 57 L CA 1.881 56.760 54.840 0.066 0.000 0.760 57 L CB -0.707 41.368 42.059 0.027 0.000 0.893 57 L HN 0.273 nan 8.230 nan 0.000 0.434 58 N N -1.436 117.320 118.700 0.093 0.000 2.080 58 N HA -0.157 4.583 4.740 0.000 0.000 0.189 58 N C 1.846 177.404 175.510 0.079 0.000 1.036 58 N CA 1.509 54.603 53.050 0.073 0.000 0.846 58 N CB -0.096 38.428 38.487 0.062 0.000 1.015 58 N HN 0.357 nan 8.380 nan 0.000 0.423 59 S N -0.225 115.572 115.700 0.162 0.000 2.383 59 S HA -0.134 4.336 4.470 0.000 0.000 0.229 59 S C 1.613 176.218 174.600 0.009 0.000 1.030 59 S CA 0.835 59.166 58.200 0.218 0.000 1.002 59 S CB -0.542 62.934 63.200 0.460 0.000 0.829 59 S HN 0.429 nan 8.310 nan 0.000 0.467 60 F N 2.493 122.210 119.950 -0.389 0.000 2.095 60 F HA -0.103 4.424 4.527 0.000 0.000 0.298 60 F C 1.772 177.243 175.800 -0.547 0.000 1.104 60 F CA 1.326 58.702 58.000 -1.041 0.000 1.232 60 F CB -0.470 38.026 39.000 -0.841 0.000 0.987 60 F HN 0.090 nan 8.300 nan 0.000 0.475 61 L N -0.604 120.463 121.223 -0.259 0.000 2.191 61 L HA -0.208 4.132 4.340 0.000 0.000 0.212 61 L C 2.396 179.124 176.870 -0.235 0.000 1.103 61 L CA 1.172 55.862 54.840 -0.249 0.000 0.769 61 L CB -0.796 41.216 42.059 -0.077 0.000 0.908 61 L HN 0.144 nan 8.230 nan 0.000 0.438 62 S N -0.127 115.468 115.700 -0.175 0.000 2.345 62 S HA -0.065 4.405 4.470 0.000 0.000 0.219 62 S C 1.985 176.489 174.600 -0.160 0.000 1.031 62 S CA 0.571 58.703 58.200 -0.113 0.000 0.984 62 S CB -0.091 63.090 63.200 -0.031 0.000 0.874 62 S HN 0.187 nan 8.310 nan 0.000 0.451 63 I N 2.241 122.684 120.570 -0.212 0.000 2.236 63 I HA -0.187 3.983 4.170 0.000 0.000 0.249 63 I C 2.030 177.983 176.117 -0.274 0.000 1.102 63 I CA 1.356 62.532 61.300 -0.206 0.000 1.365 63 I CB -1.138 36.714 38.000 -0.246 0.000 1.051 63 I HN 0.300 nan 8.210 nan 0.000 0.420 64 L N 0.395 121.370 121.223 -0.414 0.000 2.131 64 L HA -0.195 4.145 4.340 0.000 0.000 0.210 64 L C 2.523 179.268 176.870 -0.208 0.000 1.092 64 L CA 1.560 56.188 54.840 -0.355 0.000 0.759 64 L CB -0.596 41.212 42.059 -0.419 0.000 0.903 64 L HN 0.346 nan 8.230 nan 0.000 0.435 65 S N -0.337 115.263 115.700 -0.168 0.000 2.515 65 S HA -0.043 4.427 4.470 0.000 0.000 0.231 65 S C 1.631 176.180 174.600 -0.085 0.000 0.987 65 S CA 0.518 58.651 58.200 -0.111 0.000 0.936 65 S CB -0.358 62.789 63.200 -0.089 0.000 0.766 65 S HN 0.443 nan 8.310 nan 0.000 0.528 66 L N 1.563 122.733 121.223 -0.088 0.000 2.567 66 L HA 0.319 4.659 4.340 0.000 0.000 0.225 66 L C 0.810 177.642 176.870 -0.063 0.000 1.119 66 L CA -0.292 54.511 54.840 -0.061 0.000 0.871 66 L CB -0.171 41.861 42.059 -0.044 0.000 1.036 66 L HN 0.336 nan 8.230 nan 0.000 0.459 67 V N -4.165 115.698 119.914 -0.084 0.000 3.093 67 V HA 0.508 4.628 4.120 0.000 0.000 0.320 67 V C 0.627 176.679 176.094 -0.070 0.000 1.093 67 V CA -1.000 61.253 62.300 -0.078 0.000 1.016 67 V CB 1.636 33.399 31.823 -0.099 0.000 1.096 67 V HN 0.071 nan 8.190 nan 0.000 0.452 68 S N 0.455 116.119 115.700 -0.060 0.000 2.558 68 S HA -0.025 4.445 4.470 0.000 0.000 0.287 68 S C 0.771 175.337 174.600 -0.056 0.000 1.321 68 S CA 0.541 58.710 58.200 -0.051 0.000 1.048 68 S CB 0.152 63.325 63.200 -0.044 0.000 0.844 68 S HN 0.905 nan 8.310 nan 0.000 0.512 69 D N 1.299 121.670 120.400 -0.049 0.000 2.264 69 D HA -0.051 4.589 4.640 0.000 0.000 0.208 69 D C 1.412 177.685 176.300 -0.046 0.000 0.966 69 D CA 1.297 55.267 54.000 -0.051 0.000 0.864 69 D CB -0.062 40.712 40.800 -0.044 0.000 0.933 69 D HN 0.810 nan 8.370 nan 0.000 0.499 70 D N 0.065 120.442 120.400 -0.040 0.000 2.355 70 D HA 0.058 4.698 4.640 0.000 0.000 0.206 70 D C 0.809 177.089 176.300 -0.033 0.000 1.010 70 D CA -0.017 53.964 54.000 -0.032 0.000 0.875 70 D CB -0.461 40.323 40.800 -0.026 0.000 0.966 70 D HN -0.024 nan 8.370 nan 0.000 0.512 71 A N 1.032 123.827 122.820 -0.041 0.000 2.608 71 A HA -0.114 4.206 4.320 0.000 0.000 0.247 71 A C 0.227 177.792 177.584 -0.033 0.000 0.972 71 A CA 0.545 52.555 52.037 -0.045 0.000 0.838 71 A CB -0.299 18.662 19.000 -0.064 0.000 0.856 71 A HN 0.176 nan 8.150 nan 0.000 0.478 72 E N 1.059 121.245 120.200 -0.023 0.000 2.301 72 E HA 0.561 4.911 4.350 0.000 0.000 0.275 72 E C -0.488 176.125 176.600 0.020 0.000 1.030 72 E CA -0.165 56.237 56.400 0.003 0.000 0.852 72 E CB 0.646 30.349 29.700 0.004 0.000 1.060 72 E HN 0.467 nan 8.360 nan 0.000 0.401 73 I N 3.335 123.951 120.570 0.078 0.000 2.354 73 I HA 0.343 4.513 4.170 0.000 0.000 0.292 73 I C -0.252 175.991 176.117 0.209 0.000 0.989 73 I CA -0.414 60.980 61.300 0.155 0.000 1.188 73 I CB 1.159 39.296 38.000 0.228 0.000 1.342 73 I HN 0.496 nan 8.210 nan 0.000 0.457 74 S N 5.422 121.189 115.700 0.110 0.000 2.638 74 S HA 0.623 5.093 4.470 0.000 0.000 0.274 74 S C -0.764 173.669 174.600 -0.278 0.000 1.157 74 S CA -1.003 57.122 58.200 -0.125 0.000 0.826 74 S CB 1.919 65.065 63.200 -0.090 0.000 1.139 74 S HN 0.452 nan 8.310 nan 0.000 0.474 75 M N 3.102 122.307 119.600 -0.659 0.000 2.143 75 M HA 0.319 4.799 4.480 0.000 0.000 0.348 75 M C -0.086 176.168 176.300 -0.076 0.000 1.375 75 M CA 0.015 55.053 55.300 -0.438 0.000 1.124 75 M CB -0.498 31.742 32.600 -0.601 0.000 1.669 75 M HN 0.889 nan 8.290 nan 0.000 0.469 76 H N 2.111 121.157 119.070 -0.040 0.000 2.544 76 H HA 0.153 4.709 4.556 0.000 0.000 0.365 76 H C 0.658 175.988 175.328 0.004 0.000 1.268 76 H CA 0.403 56.472 56.048 0.035 0.000 1.400 76 H CB 1.173 31.027 29.762 0.153 0.000 1.538 76 H HN 0.860 nan 8.280 nan 0.000 0.597 77 T N -1.021 113.316 114.554 -0.361 0.000 3.025 77 T HA -0.173 4.177 4.350 0.000 0.000 0.270 77 T C 0.922 175.424 174.700 -0.330 0.000 1.126 77 T CA 1.117 63.018 62.100 -0.333 0.000 1.105 77 T CB -0.190 68.506 68.868 -0.287 0.000 0.884 77 T HN 0.683 nan 8.240 nan 0.000 0.522 78 D N 0.238 120.384 120.400 -0.423 0.000 2.340 78 D HA 0.268 4.908 4.640 0.000 0.000 0.217 78 D C 1.562 177.814 176.300 -0.080 0.000 1.081 78 D CA 0.338 54.211 54.000 -0.211 0.000 0.842 78 D CB -0.512 40.172 40.800 -0.193 0.000 0.934 78 D HN 0.542 nan 8.370 nan 0.000 0.511 79 G N -0.060 108.713 108.800 -0.045 0.000 2.175 79 G HA2 -0.271 3.689 3.960 0.000 0.000 0.244 79 G HA3 -0.271 3.689 3.960 0.000 0.000 0.244 79 G C 0.047 174.991 174.900 0.074 0.000 0.982 79 G CA -0.003 45.104 45.100 0.012 0.000 0.641 79 G HN 0.510 nan 8.290 nan 0.000 0.527 80 N N -0.746 118.028 118.700 0.123 0.000 2.530 80 N HA 0.718 5.458 4.740 0.000 0.000 0.283 80 N C 0.093 175.763 175.510 0.268 0.000 1.238 80 N CA -0.888 52.284 53.050 0.203 0.000 0.971 80 N CB 1.074 39.694 38.487 0.222 0.000 1.195 80 N HN 0.168 nan 8.380 nan 0.000 0.583 81 I N 0.632 121.398 120.570 0.327 0.000 2.499 81 I HA 0.230 4.400 4.170 0.000 0.000 0.296 81 I C 0.082 176.385 176.117 0.310 0.000 0.992 81 I CA -0.289 61.211 61.300 0.333 0.000 1.297 81 I CB 1.139 39.386 38.000 0.413 0.000 1.410 81 I HN 0.338 nan 8.210 nan 0.000 0.507 82 K N 7.042 127.548 120.400 0.178 0.000 2.507 82 K HA 0.561 4.881 4.320 0.000 0.000 0.252 82 K C -1.533 175.043 176.600 -0.040 0.000 0.943 82 K CA -0.495 55.781 56.287 -0.019 0.000 0.808 82 K CB 1.324 33.773 32.500 -0.084 0.000 1.142 82 K HN 0.571 nan 8.250 nan 0.000 0.426 83 I N 3.843 124.346 120.570 -0.112 0.000 2.359 83 I HA 0.483 4.653 4.170 0.000 0.000 0.284 83 I C -0.383 175.644 176.117 -0.151 0.000 1.018 83 I CA -0.621 60.627 61.300 -0.087 0.000 1.173 83 I CB 1.585 39.537 38.000 -0.080 0.000 1.326 83 I HN 0.659 nan 8.210 nan 0.000 0.462 84 A N 4.896 127.647 122.820 -0.116 0.000 2.566 84 A HA 0.880 5.200 4.320 0.000 0.000 0.292 84 A C -1.506 176.035 177.584 -0.073 0.000 1.112 84 A CA -0.509 51.459 52.037 -0.115 0.000 0.707 84 A CB 2.129 21.045 19.000 -0.140 0.000 1.302 84 A HN 0.695 nan 8.150 nan 0.000 0.409 85 D N -1.654 118.706 120.400 -0.065 0.000 2.837 85 D HA 0.434 5.074 4.640 0.000 0.000 0.294 85 D C 0.916 177.194 176.300 -0.038 0.000 1.158 85 D CA 0.487 54.460 54.000 -0.045 0.000 1.073 85 D CB 0.224 40.998 40.800 -0.043 0.000 1.419 85 D HN 0.467 nan 8.370 nan 0.000 0.584 86 T N -1.877 112.660 114.554 -0.028 0.000 2.881 86 T HA -0.099 4.251 4.350 0.000 0.000 0.270 86 T C 1.313 176.001 174.700 -0.020 0.000 1.068 86 T CA 1.454 63.541 62.100 -0.021 0.000 1.131 86 T CB -0.124 68.734 68.868 -0.016 0.000 0.871 86 T HN 0.332 nan 8.240 nan 0.000 0.479 87 R N 0.332 120.817 120.500 -0.025 0.000 2.119 87 R HA 0.244 4.584 4.340 0.000 0.000 0.202 87 R C 1.140 177.425 176.300 -0.025 0.000 1.114 87 R CA 0.831 56.919 56.100 -0.021 0.000 1.089 87 R CB 0.271 30.559 30.300 -0.019 0.000 1.000 87 R HN 0.505 nan 8.270 nan 0.000 0.487 88 S N -0.244 115.433 115.700 -0.038 0.000 2.689 88 S HA 0.574 5.044 4.470 0.000 0.000 0.306 88 S C -0.416 174.131 174.600 -0.089 0.000 1.104 88 S CA -0.568 57.603 58.200 -0.048 0.000 0.973 88 S CB 2.675 65.850 63.200 -0.042 0.000 1.121 88 S HN -0.028 nan 8.310 nan 0.000 0.523 89 T N 0.915 115.394 114.554 -0.126 0.000 2.916 89 T HA 0.598 4.948 4.350 0.000 0.000 0.298 89 T C -1.213 173.284 174.700 -0.338 0.000 1.031 89 T CA -0.533 61.406 62.100 -0.269 0.000 0.993 89 T CB 1.511 70.164 68.868 -0.358 0.000 1.045 89 T HN 0.597 nan 8.240 nan 0.000 0.454 90 V N 3.421 123.112 119.914 -0.371 0.000 2.495 90 V HA 0.551 4.671 4.120 0.000 0.000 0.298 90 V C -1.315 174.585 176.094 -0.324 0.000 1.031 90 V CA -0.888 61.279 62.300 -0.223 0.000 0.871 90 V CB 1.283 33.077 31.823 -0.047 0.000 0.988 90 V HN 0.814 nan 8.190 nan 0.000 0.432 91 Y N 2.610 122.983 120.300 0.120 0.000 2.446 91 Y HA 0.626 5.176 4.550 0.000 0.000 0.338 91 Y C -0.260 175.815 175.900 0.291 0.000 1.055 91 Y CA -0.642 57.547 58.100 0.148 0.000 1.101 91 Y CB 1.894 40.393 38.460 0.066 0.000 1.221 91 Y HN 0.642 nan 8.280 nan 0.000 0.460 92 W N 5.669 127.127 121.300 0.263 0.000 3.274 92 W HA 0.324 4.984 4.660 0.000 0.000 0.327 92 W C -3.086 173.551 176.519 0.197 0.000 1.172 92 W CA -2.307 55.179 57.345 0.236 0.000 1.217 92 W CB 2.599 32.254 29.460 0.325 0.000 1.376 92 W HN 0.334 nan 8.180 nan 0.000 0.507 93 P HA 0.159 nan 4.420 nan 0.000 0.267 93 P C -0.561 176.872 177.300 0.222 0.000 1.205 93 P CA 0.278 63.413 63.100 0.058 0.000 0.765 93 P CB 0.927 32.557 31.700 -0.117 0.000 0.828 94 A N 3.544 126.467 122.820 0.172 0.000 2.289 94 A HA 0.586 4.906 4.320 0.000 0.000 0.298 94 A C 0.512 178.162 177.584 0.110 0.000 1.208 94 A CA -0.517 51.615 52.037 0.158 0.000 0.845 94 A CB 0.212 19.299 19.000 0.145 0.000 1.125 94 A HN 0.651 nan 8.150 nan 0.000 0.517 95 A N 2.062 124.950 122.820 0.113 0.000 2.304 95 A HA 0.530 4.850 4.320 0.000 0.000 0.271 95 A C -0.075 177.560 177.584 0.085 0.000 1.091 95 A CA -0.345 51.757 52.037 0.107 0.000 0.812 95 A CB 0.285 19.388 19.000 0.172 0.000 1.056 95 A HN 0.805 nan 8.150 nan 0.000 0.489 96 D N 0.612 121.061 120.400 0.082 0.000 2.317 96 D HA 0.199 4.839 4.640 0.000 0.000 0.234 96 D C 0.871 177.249 176.300 0.130 0.000 1.112 96 D CA -0.258 53.791 54.000 0.082 0.000 0.840 96 D CB 0.802 41.637 40.800 0.058 0.000 1.078 96 D HN 0.484 nan 8.370 nan 0.000 0.486 97 K N 1.416 121.904 120.400 0.146 0.000 2.227 97 K HA -0.256 4.064 4.320 0.000 0.000 0.208 97 K C 1.695 178.484 176.600 0.315 0.000 1.045 97 K CA 1.910 58.363 56.287 0.276 0.000 0.931 97 K CB -0.173 32.503 32.500 0.294 0.000 0.721 97 K HN 0.514 nan 8.250 nan 0.000 0.469 98 S N -0.002 115.810 115.700 0.186 0.000 2.515 98 S HA -0.075 4.395 4.470 0.000 0.000 0.231 98 S C 1.754 176.434 174.600 0.134 0.000 0.987 98 S CA 1.231 59.510 58.200 0.132 0.000 0.936 98 S CB -0.383 62.869 63.200 0.085 0.000 0.766 98 S HN 0.406 nan 8.310 nan 0.000 0.528 99 T N 0.352 115.010 114.554 0.173 0.000 3.107 99 T HA 0.435 4.785 4.350 0.000 0.000 0.249 99 T C 0.537 175.405 174.700 0.280 0.000 1.096 99 T CA -0.244 61.984 62.100 0.213 0.000 1.012 99 T CB -0.829 68.156 68.868 0.195 0.000 0.977 99 T HN 0.726 nan 8.240 nan 0.000 0.527 100 I N -2.231 118.493 120.570 0.258 0.000 2.828 100 I HA 0.822 4.992 4.170 0.000 0.000 0.302 100 I C -1.361 174.882 176.117 0.210 0.000 1.101 100 I CA -1.859 59.587 61.300 0.243 0.000 1.031 100 I CB 2.452 40.623 38.000 0.284 0.000 1.231 100 I HN -0.304 nan 8.210 nan 0.000 0.427 101 V N 4.819 124.808 119.914 0.125 0.000 2.427 101 V HA 0.630 4.750 4.120 0.000 0.000 0.286 101 V C -0.510 175.631 176.094 0.079 0.000 1.034 101 V CA -0.264 62.019 62.300 -0.028 0.000 0.893 101 V CB 0.908 32.712 31.823 -0.031 0.000 0.982 101 V HN 0.700 nan 8.190 nan 0.000 0.452 102 F N 3.534 123.512 119.950 0.048 0.000 2.668 102 F HA 0.872 5.399 4.527 0.000 0.000 0.309 102 F C -3.133 172.713 175.800 0.076 0.000 1.117 102 F CA -3.075 54.960 58.000 0.058 0.000 0.951 102 F CB 0.808 39.841 39.000 0.054 0.000 1.323 102 F HN 0.244 nan 8.300 nan 0.000 0.451 103 P HA 0.323 nan 4.420 nan 0.000 0.271 103 P C -0.398 177.085 177.300 0.305 0.000 1.216 103 P CA -0.427 62.818 63.100 0.243 0.000 0.776 103 P CB 0.735 32.639 31.700 0.339 0.000 0.881 104 N N 2.079 120.888 118.700 0.181 0.000 2.405 104 N HA -0.003 4.737 4.740 0.000 0.000 0.175 104 N C 0.318 175.924 175.510 0.160 0.000 1.051 104 N CA -0.045 53.123 53.050 0.197 0.000 0.899 104 N CB 0.149 38.703 38.487 0.111 0.000 1.000 104 N HN 0.398 nan 8.380 nan 0.000 0.451 105 K N 0.655 121.132 120.400 0.128 0.000 2.536 105 K HA 0.434 4.754 4.320 0.000 0.000 0.269 105 K C -3.349 173.311 176.600 0.101 0.000 0.965 105 K CA -1.719 54.626 56.287 0.098 0.000 0.860 105 K CB 2.316 34.838 32.500 0.036 0.000 1.423 105 K HN -0.274 nan 8.250 nan 0.000 0.438 106 P HA 0.227 nan 4.420 nan 0.000 0.277 106 P C -0.156 177.090 177.300 -0.091 0.000 1.240 106 P CA -0.569 62.618 63.100 0.145 0.000 0.798 106 P CB 0.590 32.450 31.700 0.267 0.000 0.979 107 I N 2.008 122.357 120.570 -0.368 0.000 2.581 107 I HA 0.173 4.343 4.170 0.000 0.000 0.288 107 I C 0.909 176.984 176.117 -0.070 0.000 1.047 107 I CA -0.051 61.056 61.300 -0.322 0.000 1.374 107 I CB 0.138 37.802 38.000 -0.560 0.000 1.423 107 I HN 0.334 nan 8.210 nan 0.000 0.549 108 Q N 4.685 124.459 119.800 -0.044 0.000 2.337 108 Q HA 0.366 4.706 4.340 0.000 0.000 0.266 108 Q C -1.245 174.770 176.000 0.025 0.000 1.023 108 Q CA -0.552 55.250 55.803 -0.002 0.000 0.829 108 Q CB 2.624 31.331 28.738 -0.053 0.000 1.306 108 Q HN 0.469 nan 8.270 nan 0.000 0.449 109 F N 3.828 123.702 119.950 -0.126 0.000 2.389 109 F HA 0.319 4.846 4.527 0.000 0.000 0.327 109 F C -1.601 174.065 175.800 -0.223 0.000 1.204 109 F CA -1.995 55.894 58.000 -0.184 0.000 1.209 109 F CB 0.785 39.719 39.000 -0.109 0.000 1.460 109 F HN 0.435 nan 8.300 nan 0.000 0.537 110 P HA -0.136 nan 4.420 nan 0.000 0.216 110 P C -0.277 176.804 177.300 -0.365 0.000 1.153 110 P CA 1.312 64.224 63.100 -0.313 0.000 0.858 110 P CB -0.029 31.472 31.700 -0.331 0.000 0.789 111 V N -5.632 113.895 119.914 -0.646 0.000 3.040 111 V HA 0.901 5.021 4.120 0.000 0.000 0.312 111 V C -0.731 174.959 176.094 -0.673 0.000 1.115 111 V CA -1.244 60.726 62.300 -0.550 0.000 0.998 111 V CB 1.675 33.191 31.823 -0.513 0.000 1.042 111 V HN 0.076 nan 8.190 nan 0.000 0.433 112 A N 1.646 124.294 122.820 -0.288 0.000 2.437 112 A HA 0.910 5.230 4.320 0.000 0.000 0.292 112 A C 0.431 177.976 177.584 -0.065 0.000 1.173 112 A CA 0.058 52.025 52.037 -0.116 0.000 0.785 112 A CB 1.759 20.763 19.000 0.007 0.000 1.351 112 A HN 1.034 nan 8.150 nan 0.000 0.431 113 S N -1.679 113.908 115.700 -0.189 0.000 2.665 113 S HA 0.342 4.812 4.470 0.000 0.000 0.240 113 S C -0.047 174.314 174.600 -0.398 0.000 1.081 113 S CA 0.850 58.740 58.200 -0.517 0.000 0.887 113 S CB 0.550 62.962 63.200 -1.314 0.000 0.805 113 S HN 1.216 nan 8.310 nan 0.000 0.486 114 V N 1.014 120.707 119.914 -0.368 0.000 2.888 114 V HA 0.632 4.752 4.120 0.000 0.000 0.309 114 V C -1.306 174.697 176.094 -0.151 0.000 1.114 114 V CA -0.847 61.339 62.300 -0.190 0.000 0.940 114 V CB 1.828 33.429 31.823 -0.370 0.000 1.021 114 V HN 0.188 nan 8.190 nan 0.000 0.426 115 I N 2.649 123.199 120.570 -0.033 0.000 2.439 115 I HA 0.677 4.847 4.170 0.000 0.000 0.285 115 I C 0.069 176.188 176.117 0.003 0.000 1.021 115 I CA 0.022 61.301 61.300 -0.035 0.000 1.091 115 I CB 2.117 40.117 38.000 -0.001 0.000 1.242 115 I HN 0.910 nan 8.210 nan 0.000 0.439 116 T N 4.851 119.383 114.554 -0.037 0.000 2.604 116 T HA 0.658 5.008 4.350 0.000 0.000 0.267 116 T C -1.649 173.045 174.700 -0.010 0.000 0.923 116 T CA -0.394 61.709 62.100 0.005 0.000 1.077 116 T CB 1.744 70.627 68.868 0.024 0.000 1.392 116 T HN 0.773 nan 8.240 nan 0.000 0.531 117 E N -0.027 120.187 120.200 0.023 0.000 2.407 117 E HA 0.648 4.998 4.350 0.000 0.000 0.279 117 E C -1.640 175.008 176.600 0.081 0.000 1.012 117 E CA -0.951 55.477 56.400 0.047 0.000 0.800 117 E CB 1.840 31.572 29.700 0.055 0.000 1.276 117 E HN 0.601 nan 8.360 nan 0.000 0.452 118 I N 1.007 121.653 120.570 0.127 0.000 2.534 118 I HA 0.383 4.553 4.170 0.000 0.000 0.288 118 I C -1.282 174.934 176.117 0.165 0.000 1.077 118 I CA -0.735 60.652 61.300 0.145 0.000 1.051 118 I CB 1.541 39.645 38.000 0.174 0.000 1.234 118 I HN 0.508 nan 8.210 nan 0.000 0.425 119 K N 5.033 125.509 120.400 0.127 0.000 2.237 119 K HA 0.398 4.718 4.320 0.000 0.000 0.270 119 K C 1.126 177.803 176.600 0.130 0.000 1.015 119 K CA 0.478 56.835 56.287 0.118 0.000 0.949 119 K CB 1.268 33.819 32.500 0.085 0.000 0.976 119 K HN 0.744 nan 8.250 nan 0.000 0.472 120 A N 2.512 125.411 122.820 0.131 0.000 1.903 120 A HA -0.311 4.009 4.320 0.000 0.000 0.219 120 A C 2.127 179.763 177.584 0.086 0.000 1.191 120 A CA 2.342 54.456 52.037 0.128 0.000 0.638 120 A CB -0.636 18.426 19.000 0.105 0.000 0.823 120 A HN 0.994 nan 8.150 nan 0.000 0.451 121 E N -0.374 119.867 120.200 0.069 0.000 2.085 121 E HA -0.269 4.081 4.350 0.000 0.000 0.194 121 E C 1.358 177.991 176.600 0.056 0.000 0.994 121 E CA 1.645 58.077 56.400 0.053 0.000 0.801 121 E CB -0.202 29.527 29.700 0.048 0.000 0.743 121 E HN 0.594 nan 8.360 nan 0.000 0.453 122 D N 0.492 120.937 120.400 0.074 0.000 2.117 122 D HA -0.153 4.487 4.640 0.000 0.000 0.198 122 D C 2.054 178.403 176.300 0.082 0.000 0.982 122 D CA 0.774 54.829 54.000 0.091 0.000 0.828 122 D CB -0.392 40.470 40.800 0.104 0.000 0.967 122 D HN 0.226 nan 8.370 nan 0.000 0.464 123 L N 1.063 122.327 121.223 0.068 0.000 2.012 123 L HA -0.195 4.145 4.340 0.000 0.000 0.210 123 L C 2.297 179.158 176.870 -0.015 0.000 1.073 123 L CA 1.819 56.674 54.840 0.025 0.000 0.748 123 L CB -0.779 41.287 42.059 0.011 0.000 0.891 123 L HN -0.014 nan 8.230 nan 0.000 0.431 124 Q N -0.914 118.885 119.800 -0.002 0.000 2.096 124 Q HA -0.311 4.029 4.340 0.000 0.000 0.204 124 Q C 2.349 178.317 176.000 -0.053 0.000 0.982 124 Q CA 2.299 58.088 55.803 -0.024 0.000 0.850 124 Q CB -0.294 28.442 28.738 -0.003 0.000 0.901 124 Q HN 0.762 nan 8.270 nan 0.000 0.422 125 Q N -0.108 119.666 119.800 -0.042 0.000 2.079 125 Q HA -0.188 4.152 4.340 0.000 0.000 0.200 125 Q C 2.224 178.089 176.000 -0.225 0.000 0.974 125 Q CA 1.286 57.031 55.803 -0.097 0.000 0.840 125 Q CB -0.154 28.566 28.738 -0.030 0.000 0.898 125 Q HN 0.449 nan 8.270 nan 0.000 0.430 126 L N 0.659 121.795 121.223 -0.145 0.000 2.013 126 L HA -0.227 4.113 4.340 0.000 0.000 0.212 126 L C 1.877 178.618 176.870 -0.214 0.000 1.073 126 L CA 1.712 56.440 54.840 -0.187 0.000 0.753 126 L CB -0.664 41.421 42.059 0.043 0.000 0.890 126 L HN 0.263 nan 8.230 nan 0.000 0.432 127 L N -0.683 120.451 121.223 -0.147 0.000 2.044 127 L HA -0.056 4.284 4.340 0.000 0.000 0.205 127 L C 2.704 179.490 176.870 -0.140 0.000 1.075 127 L CA 1.339 56.099 54.840 -0.133 0.000 0.747 127 L CB -1.201 40.789 42.059 -0.114 0.000 0.903 127 L HN 0.181 nan 8.230 nan 0.000 0.435 128 R N -0.176 120.242 120.500 -0.136 0.000 2.096 128 R HA -0.122 4.218 4.340 0.000 0.000 0.240 128 R C 2.228 178.436 176.300 -0.152 0.000 1.139 128 R CA 1.496 57.523 56.100 -0.122 0.000 0.952 128 R CB -1.380 28.858 30.300 -0.104 0.000 0.854 128 R HN 0.265 nan 8.270 nan 0.000 0.436 129 V N 0.895 120.663 119.914 -0.243 0.000 2.427 129 V HA -0.165 3.955 4.120 0.000 0.000 0.248 129 V C 2.380 178.339 176.094 -0.225 0.000 1.051 129 V CA 1.800 63.926 62.300 -0.289 0.000 1.048 129 V CB -0.505 30.965 31.823 -0.589 0.000 0.666 129 V HN 0.266 nan 8.190 nan 0.000 0.456 130 S N -0.553 115.013 115.700 -0.224 0.000 2.382 130 S HA -0.226 4.244 4.470 0.000 0.000 0.228 130 S C 2.117 176.667 174.600 -0.084 0.000 1.027 130 S CA 1.759 59.884 58.200 -0.124 0.000 0.991 130 S CB -0.337 62.803 63.200 -0.099 0.000 0.823 130 S HN 0.550 nan 8.310 nan 0.000 0.469 131 R N 0.691 121.136 120.500 -0.091 0.000 2.075 131 R HA -0.046 4.294 4.340 0.000 0.000 0.232 131 R C 2.332 178.599 176.300 -0.055 0.000 1.126 131 R CA 1.375 57.437 56.100 -0.065 0.000 0.963 131 R CB -0.551 29.710 30.300 -0.065 0.000 0.858 131 R HN 0.421 nan 8.270 nan 0.000 0.435 132 G N -0.204 108.556 108.800 -0.067 0.000 2.572 132 G HA2 -0.040 3.920 3.960 0.000 0.000 0.216 132 G HA3 -0.040 3.920 3.960 0.000 0.000 0.216 132 G C 1.117 175.993 174.900 -0.040 0.000 1.133 132 G CA 0.096 45.166 45.100 -0.051 0.000 0.791 132 G HN 0.234 nan 8.290 nan 0.000 0.538 133 L N -0.051 121.145 121.223 -0.045 0.000 2.728 133 L HA 0.175 4.515 4.340 0.000 0.000 0.238 133 L C 0.739 177.602 176.870 -0.011 0.000 1.143 133 L CA -0.069 54.757 54.840 -0.024 0.000 0.937 133 L CB 0.020 42.066 42.059 -0.022 0.000 1.225 133 L HN 0.181 nan 8.230 nan 0.000 0.507 134 Q N -0.152 119.639 119.800 -0.015 0.000 2.481 134 Q HA -0.203 4.137 4.340 0.000 0.000 0.272 134 Q C 0.073 176.078 176.000 0.009 0.000 1.157 134 Q CA 0.943 56.743 55.803 -0.004 0.000 0.935 134 Q CB -2.260 26.479 28.738 0.003 0.000 1.338 134 Q HN 0.532 nan 8.270 nan 0.000 0.494 135 I N 2.213 122.787 120.570 0.006 0.000 2.436 135 I HA -0.044 4.126 4.170 0.000 0.000 0.289 135 I C 1.239 177.375 176.117 0.032 0.000 1.083 135 I CA 0.539 61.859 61.300 0.032 0.000 1.372 135 I CB 0.501 38.519 38.000 0.031 0.000 1.408 135 I HN 0.128 nan 8.210 nan 0.000 0.516 136 D N 2.002 122.434 120.400 0.053 0.000 2.449 136 D HA 0.040 4.680 4.640 0.000 0.000 0.210 136 D C 0.111 176.444 176.300 0.055 0.000 1.094 136 D CA 0.065 54.087 54.000 0.037 0.000 0.846 136 D CB 0.548 41.364 40.800 0.028 0.000 1.003 136 D HN 0.281 nan 8.370 nan 0.000 0.504 137 T N 1.451 116.068 114.554 0.105 0.000 2.985 137 T HA 0.471 4.821 4.350 0.000 0.000 0.315 137 T C 0.093 174.929 174.700 0.227 0.000 1.001 137 T CA -0.811 61.363 62.100 0.124 0.000 1.016 137 T CB 1.049 69.970 68.868 0.089 0.000 0.993 137 T HN 0.229 nan 8.240 nan 0.000 0.454 138 I N 0.443 121.126 120.570 0.188 0.000 2.934 138 I HA 0.979 5.149 4.170 0.000 0.000 0.315 138 I C -0.182 176.087 176.117 0.254 0.000 0.997 138 I CA -1.164 60.289 61.300 0.254 0.000 1.184 138 I CB 1.227 39.334 38.000 0.178 0.000 1.400 138 I HN 0.599 nan 8.210 nan 0.000 0.549 139 A N 4.479 127.480 122.820 0.303 0.000 2.437 139 A HA 0.711 5.031 4.320 0.000 0.000 0.293 139 A C -0.851 176.883 177.584 0.251 0.000 1.038 139 A CA -0.510 51.676 52.037 0.249 0.000 0.708 139 A CB 0.866 19.987 19.000 0.203 0.000 1.251 139 A HN 0.674 nan 8.150 nan 0.000 0.409 140 I N 1.871 122.603 120.570 0.270 0.000 2.353 140 I HA 0.626 4.796 4.170 0.000 0.000 0.293 140 I C 0.506 176.839 176.117 0.359 0.000 0.992 140 I CA -0.135 61.336 61.300 0.286 0.000 1.268 140 I CB 1.863 40.034 38.000 0.285 0.000 1.387 140 I HN 0.681 nan 8.210 nan 0.000 0.478 141 T N 3.906 118.623 114.554 0.271 0.000 2.840 141 T HA 0.312 4.662 4.350 0.000 0.000 0.317 141 T C -1.271 173.389 174.700 -0.067 0.000 1.401 141 T CA -0.930 61.248 62.100 0.129 0.000 1.028 141 T CB 1.346 70.221 68.868 0.012 0.000 1.317 141 T HN 0.708 nan 8.240 nan 0.000 0.495 142 N N 2.173 120.561 118.700 -0.520 0.000 2.530 142 N HA 0.504 5.244 4.740 0.000 0.000 0.277 142 N C -0.884 174.532 175.510 -0.158 0.000 1.168 142 N CA -0.543 52.272 53.050 -0.393 0.000 0.979 142 N CB 0.857 38.934 38.487 -0.683 0.000 1.141 142 N HN 0.828 nan 8.380 nan 0.000 0.459 143 K N 0.673 121.059 120.400 -0.024 0.000 2.606 143 K HA 0.110 4.430 4.320 0.000 0.000 0.259 143 K C -1.562 175.057 176.600 0.032 0.000 1.001 143 K CA -0.458 55.826 56.287 -0.006 0.000 0.881 143 K CB 0.530 33.024 32.500 -0.011 0.000 1.288 143 K HN 0.578 nan 8.250 nan 0.000 0.452 144 D N 3.591 124.008 120.400 0.028 0.000 2.697 144 D HA -0.185 4.455 4.640 0.000 0.000 0.235 144 D C 0.523 176.856 176.300 0.055 0.000 1.167 144 D CA 1.958 55.977 54.000 0.031 0.000 0.656 144 D CB -0.945 39.866 40.800 0.019 0.000 1.025 144 D HN 1.152 nan 8.370 nan 0.000 0.419 145 G N 0.040 108.895 108.800 0.090 0.000 2.225 145 G HA2 -0.350 3.610 3.960 0.000 0.000 0.267 145 G HA3 -0.350 3.610 3.960 0.000 0.000 0.267 145 G C 0.182 175.184 174.900 0.170 0.000 1.024 145 G CA 1.055 46.225 45.100 0.117 0.000 0.784 145 G HN 0.513 nan 8.290 nan 0.000 0.507 146 K N -0.635 119.870 120.400 0.174 0.000 2.502 146 K HA 0.560 4.880 4.320 0.000 0.000 0.257 146 K C -0.182 176.503 176.600 0.142 0.000 0.938 146 K CA -1.180 55.202 56.287 0.158 0.000 0.819 146 K CB 1.635 34.189 32.500 0.090 0.000 1.333 146 K HN -0.001 nan 8.250 nan 0.000 0.434 147 I N 3.608 124.268 120.570 0.151 0.000 2.371 147 I HA 0.201 4.371 4.170 0.000 0.000 0.290 147 I C 0.314 176.489 176.117 0.097 0.000 1.028 147 I CA -0.376 61.003 61.300 0.132 0.000 1.345 147 I CB 0.746 38.841 38.000 0.160 0.000 1.407 147 I HN 0.379 nan 8.210 nan 0.000 0.501 148 V N 5.621 125.584 119.914 0.082 0.000 3.102 148 V HA 0.677 4.797 4.120 0.000 0.000 0.312 148 V C -0.600 175.536 176.094 0.070 0.000 1.135 148 V CA -0.847 61.482 62.300 0.048 0.000 1.022 148 V CB 2.795 34.622 31.823 0.007 0.000 1.056 148 V HN 0.473 nan 8.190 nan 0.000 0.436 149 I N 2.903 123.493 120.570 0.033 0.000 2.418 149 I HA 0.513 4.683 4.170 0.000 0.000 0.287 149 I C -0.838 175.270 176.117 -0.014 0.000 1.008 149 I CA -0.528 60.811 61.300 0.066 0.000 1.104 149 I CB 1.835 39.895 38.000 0.100 0.000 1.264 149 I HN 0.679 nan 8.210 nan 0.000 0.438 150 N N 4.753 123.484 118.700 0.051 0.000 2.372 150 N HA 0.439 5.179 4.740 0.000 0.000 0.291 150 N C -0.221 175.234 175.510 -0.092 0.000 1.024 150 N CA -0.376 52.608 53.050 -0.111 0.000 0.873 150 N CB 2.547 40.972 38.487 -0.103 0.000 1.206 150 N HN 0.752 nan 8.380 nan 0.000 0.486 151 G N 1.113 109.798 108.800 -0.191 0.000 2.367 151 G HA2 0.563 4.523 3.960 0.000 0.000 0.314 151 G HA3 0.563 4.523 3.960 0.000 0.000 0.314 151 G C -1.260 173.473 174.900 -0.278 0.000 1.130 151 G CA -0.089 44.998 45.100 -0.023 0.000 0.864 151 G HN 0.393 nan 8.290 nan 0.000 0.486 152 Y N 0.022 120.361 120.300 0.064 0.000 2.581 152 Y HA 0.403 4.953 4.550 0.000 0.000 0.345 152 Y C 0.073 175.993 175.900 0.032 0.000 1.036 152 Y CA -1.378 56.748 58.100 0.044 0.000 1.042 152 Y CB 2.309 40.790 38.460 0.034 0.000 1.289 152 Y HN 0.463 nan 8.280 nan 0.000 0.471 153 N N 2.189 121.004 118.700 0.193 0.000 2.817 153 N HA 0.084 4.824 4.740 0.000 0.000 0.234 153 N C 0.663 176.236 175.510 0.105 0.000 1.066 153 N CA -0.083 53.033 53.050 0.110 0.000 0.926 153 N CB 0.776 39.305 38.487 0.070 0.000 1.176 153 N HN 0.762 nan 8.380 nan 0.000 0.506 154 K N 1.787 122.242 120.400 0.092 0.000 2.127 154 K HA -0.118 4.202 4.320 0.000 0.000 0.208 154 K C 1.412 178.032 176.600 0.034 0.000 1.047 154 K CA 1.431 57.747 56.287 0.049 0.000 0.927 154 K CB 0.087 32.602 32.500 0.025 0.000 0.716 154 K HN 0.287 nan 8.250 nan 0.000 0.450 155 V N 1.771 121.705 119.914 0.033 0.000 2.295 155 V HA -0.263 3.857 4.120 0.000 0.000 0.246 155 V C 2.130 178.238 176.094 0.025 0.000 1.049 155 V CA 2.346 64.660 62.300 0.023 0.000 1.024 155 V CB -0.639 31.196 31.823 0.020 0.000 0.648 155 V HN 0.625 nan 8.190 nan 0.000 0.447 156 E N -0.217 120.003 120.200 0.033 0.000 2.489 156 E HA -0.056 4.294 4.350 0.000 0.000 0.193 156 E C 0.286 176.910 176.600 0.040 0.000 1.057 156 E CA 0.618 57.038 56.400 0.032 0.000 0.866 156 E CB 0.188 29.907 29.700 0.032 0.000 0.916 156 E HN 0.500 nan 8.360 nan 0.000 0.500 157 D N 0.398 120.827 120.400 0.049 0.000 2.552 157 D HA 0.175 4.815 4.640 0.000 0.000 0.285 157 D C 0.137 176.453 176.300 0.026 0.000 1.206 157 D CA -0.300 53.733 54.000 0.056 0.000 0.826 157 D CB 0.815 41.684 40.800 0.115 0.000 1.179 157 D HN -0.085 nan 8.370 nan 0.000 0.508 158 S N 0.631 116.337 115.700 0.010 0.000 2.390 158 S HA -0.179 4.291 4.470 0.000 0.000 0.234 158 S C 1.790 176.370 174.600 -0.034 0.000 1.063 158 S CA 1.657 59.852 58.200 -0.009 0.000 1.108 158 S CB -0.030 63.166 63.200 -0.007 0.000 0.975 158 S HN 0.575 nan 8.310 nan 0.000 0.442 159 G N 0.134 108.911 108.800 -0.038 0.000 3.233 159 G HA2 0.446 4.406 3.960 0.000 0.000 0.227 159 G HA3 0.446 4.406 3.960 0.000 0.000 0.227 159 G C 0.067 174.884 174.900 -0.138 0.000 1.175 159 G CA -0.524 44.533 45.100 -0.071 0.000 0.781 159 G HN 0.459 nan 8.290 nan 0.000 0.542 160 L N 0.650 121.767 121.223 -0.177 0.000 3.709 160 L HA -0.211 4.129 4.340 0.000 0.000 0.626 160 L C 1.286 178.004 176.870 -0.254 0.000 1.119 160 L CA 0.471 55.024 54.840 -0.478 0.000 0.996 160 L CB -2.004 39.528 42.059 -0.879 0.000 1.327 160 L HN 0.357 nan 8.230 nan 0.000 0.808 161 T N -1.894 112.711 114.554 0.084 0.000 2.993 161 T HA 0.217 4.567 4.350 0.000 0.000 0.260 161 T C 0.801 175.631 174.700 0.218 0.000 0.939 161 T CA -0.141 62.044 62.100 0.141 0.000 0.886 161 T CB 0.401 69.301 68.868 0.054 0.000 1.209 161 T HN 0.494 nan 8.240 nan 0.000 0.518 162 R N 2.952 123.607 120.500 0.257 0.000 2.587 162 R HA 0.376 4.716 4.340 0.000 0.000 0.283 162 R C -2.761 173.573 176.300 0.056 0.000 1.472 162 R CA -1.834 54.346 56.100 0.133 0.000 1.578 162 R CB 0.921 31.271 30.300 0.084 0.000 1.130 162 R HN 0.375 nan 8.270 nan 0.000 0.602 163 P HA -0.088 nan 4.420 nan 0.000 0.264 163 P C -0.265 176.900 177.300 -0.225 0.000 1.179 163 P CA 0.261 63.069 63.100 -0.486 0.000 0.763 163 P CB 1.117 32.525 31.700 -0.487 0.000 0.806 164 K N 1.011 121.287 120.400 -0.206 0.000 2.335 164 K HA 0.056 4.376 4.320 0.000 0.000 0.195 164 K C 0.343 176.957 176.600 0.023 0.000 1.058 164 K CA 0.557 56.811 56.287 -0.055 0.000 0.988 164 K CB 0.279 32.770 32.500 -0.015 0.000 0.880 164 K HN 0.482 nan 8.250 nan 0.000 0.513 165 Y N -0.182 120.021 120.300 -0.161 0.000 2.588 165 Y HA 0.480 5.030 4.550 0.000 0.000 0.343 165 Y C -1.584 174.241 175.900 -0.125 0.000 1.065 165 Y CA -1.235 56.799 58.100 -0.110 0.000 1.038 165 Y CB 2.515 40.928 38.460 -0.079 0.000 1.297 165 Y HN -0.232 nan 8.280 nan 0.000 0.467 166 S N 4.384 119.425 115.700 -1.098 0.000 2.592 166 S HA 0.625 5.095 4.470 0.000 0.000 0.275 166 S C -2.631 171.442 174.600 -0.880 0.000 1.169 166 S CA -0.564 57.155 58.200 -0.801 0.000 0.958 166 S CB 0.812 63.786 63.200 -0.377 0.000 1.095 166 S HN 0.820 nan 8.310 nan 0.000 0.471 167 L N 4.370 125.249 121.223 -0.573 0.000 2.365 167 L HA 0.759 5.099 4.340 0.000 0.000 0.273 167 L C -0.124 176.687 176.870 -0.097 0.000 1.000 167 L CA 0.201 54.877 54.840 -0.273 0.000 0.819 167 L CB 1.987 44.000 42.059 -0.076 0.000 1.284 167 L HN 0.637 nan 8.230 nan 0.000 0.418 168 T N 5.154 119.681 114.554 -0.045 0.000 2.909 168 T HA 0.566 4.916 4.350 0.000 0.000 0.289 168 T C 0.370 175.092 174.700 0.037 0.000 1.005 168 T CA -0.173 61.927 62.100 0.001 0.000 1.084 168 T CB 0.814 69.685 68.868 0.005 0.000 0.975 168 T HN 0.519 nan 8.240 nan 0.000 0.509 169 L N 0.783 122.040 121.223 0.057 0.000 2.931 169 L HA 0.508 4.848 4.340 0.000 0.000 0.237 169 L C 0.976 177.893 176.870 0.078 0.000 1.986 169 L CA -1.122 53.761 54.840 0.072 0.000 2.186 169 L CB 0.356 42.464 42.059 0.083 0.000 2.326 169 L HN 0.663 nan 8.230 nan 0.000 0.575 170 T N -2.297 112.311 114.554 0.089 0.000 2.860 170 T HA 0.149 4.499 4.350 0.000 0.000 0.299 170 T C -0.353 174.422 174.700 0.125 0.000 1.045 170 T CA -0.780 61.378 62.100 0.096 0.000 1.071 170 T CB 0.511 69.437 68.868 0.097 0.000 0.985 170 T HN 0.181 nan 8.240 nan 0.000 0.537 171 D N 0.884 121.354 120.400 0.117 0.000 2.443 171 D HA 0.088 4.728 4.640 0.000 0.000 0.239 171 D C -0.851 175.581 176.300 0.222 0.000 1.136 171 D CA 0.296 54.378 54.000 0.137 0.000 0.879 171 D CB 0.163 41.017 40.800 0.089 0.000 1.195 171 D HN 0.626 nan 8.370 nan 0.000 0.443 172 Y N 2.396 122.750 120.300 0.090 0.000 2.587 172 Y HA 0.167 4.717 4.550 0.000 0.000 0.328 172 Y C -0.565 175.392 175.900 0.095 0.000 0.980 172 Y CA -1.013 57.161 58.100 0.123 0.000 1.272 172 Y CB 0.498 39.055 38.460 0.162 0.000 1.094 172 Y HN 0.151 nan 8.280 nan 0.000 0.503 173 D N 5.174 125.446 120.400 -0.213 0.000 2.943 173 D HA 0.280 4.920 4.640 0.000 0.000 0.249 173 D C 0.274 176.294 176.300 -0.467 0.000 1.231 173 D CA 0.246 54.083 54.000 -0.273 0.000 0.979 173 D CB 0.518 41.260 40.800 -0.096 0.000 1.053 173 D HN 0.775 nan 8.370 nan 0.000 0.504 174 G N -0.645 107.521 108.800 -1.056 0.000 2.818 174 G HA2 0.387 4.347 3.960 0.000 0.000 0.286 174 G HA3 0.387 4.347 3.960 0.000 0.000 0.286 174 G C 0.754 175.407 174.900 -0.413 0.000 1.364 174 G CA -0.419 44.220 45.100 -0.769 0.000 0.938 174 G HN 0.134 nan 8.290 nan 0.000 0.490 175 S N -0.559 115.098 115.700 -0.073 0.000 2.433 175 S HA 0.107 4.577 4.470 0.000 0.000 0.216 175 S C 0.938 175.591 174.600 0.089 0.000 1.031 175 S CA -0.135 58.066 58.200 0.001 0.000 0.931 175 S CB -0.692 62.504 63.200 -0.006 0.000 0.875 175 S HN 0.599 nan 8.310 nan 0.000 0.553 176 N N 2.886 121.644 118.700 0.096 0.000 2.187 176 N HA -0.009 4.731 4.740 0.000 0.000 0.236 176 N C -1.035 174.519 175.510 0.072 0.000 1.244 176 N CA 0.786 53.813 53.050 -0.038 0.000 0.850 176 N CB -0.069 38.121 38.487 -0.495 0.000 1.090 176 N HN 0.321 nan 8.380 nan 0.000 0.450 177 N N 0.214 118.883 118.700 -0.052 0.000 2.296 177 N HA 0.527 5.267 4.740 0.000 0.000 0.294 177 N C -1.428 174.043 175.510 -0.064 0.000 1.033 177 N CA -0.443 52.517 53.050 -0.150 0.000 0.839 177 N CB 1.068 39.480 38.487 -0.125 0.000 1.395 177 N HN 0.391 nan 8.380 nan 0.000 0.479 178 F N -0.417 119.498 119.950 -0.059 0.000 2.678 178 F HA 0.581 5.108 4.527 0.000 0.000 0.308 178 F C -0.970 174.697 175.800 -0.220 0.000 1.118 178 F CA -1.115 56.779 58.000 -0.176 0.000 0.959 178 F CB 1.441 40.381 39.000 -0.100 0.000 1.305 178 F HN 0.227 nan 8.300 nan 0.000 0.443 179 N N 1.949 120.577 118.700 -0.120 0.000 2.707 179 N HA 0.403 5.143 4.740 0.000 0.000 0.249 179 N C -2.089 173.369 175.510 -0.087 0.000 1.299 179 N CA -0.345 52.683 53.050 -0.037 0.000 0.769 179 N CB 0.376 38.828 38.487 -0.057 0.000 1.236 179 N HN 0.555 nan 8.380 nan 0.000 0.524 180 F N 1.324 121.401 119.950 0.211 0.000 2.445 180 F HA 0.302 4.829 4.527 0.000 0.000 0.359 180 F C 0.560 176.415 175.800 0.091 0.000 1.101 180 F CA -0.535 57.533 58.000 0.113 0.000 1.177 180 F CB 0.838 39.871 39.000 0.056 0.000 1.110 180 F HN -0.020 nan 8.300 nan 0.000 0.522 181 V N 5.878 125.917 119.914 0.208 0.000 2.370 181 V HA 0.396 4.516 4.120 0.000 0.000 0.279 181 V C 0.170 176.342 176.094 0.130 0.000 1.029 181 V CA -0.703 61.675 62.300 0.130 0.000 0.870 181 V CB 1.239 33.089 31.823 0.046 0.000 0.984 181 V HN 0.529 nan 8.190 nan 0.000 0.451 182 I N 4.005 124.649 120.570 0.124 0.000 2.474 182 I HA 0.381 4.551 4.170 0.000 0.000 0.294 182 I C 0.160 176.312 176.117 0.059 0.000 1.005 182 I CA -0.561 60.796 61.300 0.094 0.000 1.113 182 I CB 1.797 39.859 38.000 0.103 0.000 1.289 182 I HN 0.533 nan 8.210 nan 0.000 0.436 183 N N 6.064 124.783 118.700 0.032 0.000 2.411 183 N HA 0.075 4.815 4.740 0.000 0.000 0.259 183 N C 0.854 176.357 175.510 -0.012 0.000 1.103 183 N CA -0.264 52.795 53.050 0.015 0.000 0.954 183 N CB 1.048 39.539 38.487 0.007 0.000 1.085 183 N HN 0.607 nan 8.380 nan 0.000 0.485 184 M N 3.048 122.645 119.600 -0.005 0.000 2.195 184 M HA -0.173 4.307 4.480 0.000 0.000 0.260 184 M C 1.829 178.090 176.300 -0.065 0.000 1.066 184 M CA 1.108 56.386 55.300 -0.036 0.000 1.089 184 M CB -1.436 31.154 32.600 -0.016 0.000 1.377 184 M HN 0.697 nan 8.290 nan 0.000 0.411 185 A N 0.157 122.950 122.820 -0.046 0.000 2.131 185 A HA -0.153 4.167 4.320 0.000 0.000 0.220 185 A C 1.676 179.212 177.584 -0.079 0.000 1.158 185 A CA 1.489 53.493 52.037 -0.054 0.000 0.665 185 A CB -0.629 18.352 19.000 -0.033 0.000 0.795 185 A HN 0.582 nan 8.150 nan 0.000 0.460 186 N N -0.695 117.951 118.700 -0.090 0.000 2.280 186 N HA 0.084 4.824 4.740 0.000 0.000 0.192 186 N C 0.358 175.739 175.510 -0.215 0.000 1.109 186 N CA 0.196 53.176 53.050 -0.118 0.000 0.855 186 N CB 0.222 38.664 38.487 -0.075 0.000 0.974 186 N HN 0.319 nan 8.380 nan 0.000 0.482 187 M N 0.775 120.227 119.600 -0.246 0.000 3.092 187 M HA 0.108 4.588 4.480 0.000 0.000 0.228 187 M C 0.122 176.178 176.300 -0.407 0.000 1.301 187 M CA 0.134 55.202 55.300 -0.387 0.000 1.216 187 M CB -0.747 31.651 32.600 -0.337 0.000 1.356 187 M HN -0.147 nan 8.290 nan 0.000 0.463 188 K N 1.277 121.451 120.400 -0.377 0.000 3.000 188 K HA 0.274 4.594 4.320 0.000 0.000 0.265 188 K C -0.072 176.231 176.600 -0.496 0.000 1.260 188 K CA 0.165 56.259 56.287 -0.322 0.000 1.209 188 K CB -0.439 31.940 32.500 -0.201 0.000 1.484 188 K HN 0.404 nan 8.250 nan 0.000 0.283 189 I N 2.112 122.308 120.570 -0.624 0.000 2.396 189 I HA -0.006 4.164 4.170 0.000 0.000 0.292 189 I C 0.877 176.864 176.117 -0.218 0.000 0.999 189 I CA -0.686 60.168 61.300 -0.743 0.000 1.310 189 I CB 1.094 38.548 38.000 -0.909 0.000 1.404 189 I HN 0.374 nan 8.210 nan 0.000 0.496 190 Q N 8.231 128.112 119.800 0.134 0.000 2.368 190 Q HA 0.423 4.763 4.340 0.000 0.000 0.237 190 Q C -2.474 173.656 176.000 0.217 0.000 0.987 190 Q CA -1.739 54.172 55.803 0.179 0.000 0.896 190 Q CB 0.448 29.334 28.738 0.248 0.000 1.241 190 Q HN 0.305 nan 8.270 nan 0.000 0.485 191 P HA 0.224 nan 4.420 nan 0.000 0.267 191 P C -0.144 177.312 177.300 0.259 0.000 1.200 191 P CA 0.508 63.707 63.100 0.165 0.000 0.772 191 P CB 0.684 32.434 31.700 0.084 0.000 0.855 192 G N 1.301 110.284 108.800 0.304 0.000 2.356 192 G HA2 0.024 3.984 3.960 0.000 0.000 0.300 192 G HA3 0.024 3.984 3.960 0.000 0.000 0.300 192 G C -1.671 173.407 174.900 0.296 0.000 1.331 192 G CA -0.820 44.411 45.100 0.218 0.000 0.905 192 G HN 0.515 nan 8.290 nan 0.000 0.587 193 N N 0.215 118.969 118.700 0.090 0.000 2.419 193 N HA 0.546 5.286 4.740 0.000 0.000 0.264 193 N C -1.324 174.212 175.510 0.043 0.000 1.031 193 N CA 0.082 53.213 53.050 0.135 0.000 0.951 193 N CB 1.168 39.688 38.487 0.055 0.000 1.101 193 N HN 0.375 nan 8.380 nan 0.000 0.488 194 Y N 0.271 120.633 120.300 0.104 0.000 2.468 194 Y HA 0.304 4.854 4.550 0.000 0.000 0.342 194 Y C 0.681 176.617 175.900 0.059 0.000 1.021 194 Y CA -0.923 57.251 58.100 0.122 0.000 1.079 194 Y CB 1.679 40.290 38.460 0.252 0.000 1.226 194 Y HN 0.267 nan 8.280 nan 0.000 0.460 195 K N 2.530 123.016 120.400 0.144 0.000 2.234 195 K HA 0.611 4.931 4.320 0.000 0.000 0.277 195 K C -1.645 174.913 176.600 -0.070 0.000 1.038 195 K CA -0.425 55.879 56.287 0.029 0.000 0.888 195 K CB 0.686 33.186 32.500 0.000 0.000 1.091 195 K HN 0.543 nan 8.250 nan 0.000 0.467 196 V N 6.344 126.155 119.914 -0.171 0.000 2.370 196 V HA 0.347 4.467 4.120 0.000 0.000 0.279 196 V C -0.101 175.797 176.094 -0.327 0.000 1.029 196 V CA -0.578 61.466 62.300 -0.427 0.000 0.870 196 V CB 1.154 32.670 31.823 -0.511 0.000 0.984 196 V HN 0.850 nan 8.190 nan 0.000 0.451 197 M N 6.374 125.754 119.600 -0.368 0.000 2.125 197 M HA 0.542 5.022 4.480 0.000 0.000 0.321 197 M C -1.117 175.046 176.300 -0.229 0.000 0.983 197 M CA -0.215 54.958 55.300 -0.212 0.000 0.934 197 M CB 1.604 34.162 32.600 -0.069 0.000 1.542 197 M HN 0.427 nan 8.290 nan 0.000 0.424 198 L N 2.793 123.830 121.223 -0.310 0.000 2.307 198 L HA 0.574 4.914 4.340 0.000 0.000 0.284 198 L C -1.210 175.371 176.870 -0.481 0.000 1.023 198 L CA -0.511 54.005 54.840 -0.540 0.000 0.810 198 L CB 1.289 42.757 42.059 -0.985 0.000 1.231 198 L HN 0.701 nan 8.230 nan 0.000 0.423 199 W N 3.383 124.343 121.300 -0.566 0.000 2.739 199 W HA 0.711 5.371 4.660 0.000 0.000 0.331 199 W C -0.549 175.676 176.519 -0.491 0.000 1.049 199 W CA -0.949 56.082 57.345 -0.523 0.000 1.234 199 W CB 1.949 31.156 29.460 -0.421 0.000 1.404 199 W HN 0.409 nan 8.180 nan 0.000 0.477 200 G N 3.106 111.236 108.800 -1.116 0.000 2.590 200 G HA2 0.741 4.701 3.960 0.000 0.000 0.310 200 G HA3 0.741 4.701 3.960 0.000 0.000 0.310 200 G C -1.764 172.571 174.900 -0.941 0.000 1.347 200 G CA -0.620 43.718 45.100 -1.269 0.000 0.963 200 G HN 1.157 nan 8.290 nan 0.000 0.494 201 A N 1.866 124.223 122.820 -0.773 0.000 2.684 201 A HA 0.803 5.123 4.320 0.000 0.000 0.289 201 A C 0.737 178.293 177.584 -0.047 0.000 1.139 201 A CA 0.571 52.496 52.037 -0.185 0.000 0.793 201 A CB 0.300 19.255 19.000 -0.076 0.000 1.334 201 A HN 2.614 nan 8.150 nan 0.000 0.408 202 G N 1.906 110.801 108.800 0.158 0.000 2.531 202 G HA2 -0.282 3.678 3.960 0.000 0.000 0.274 202 G HA3 -0.282 3.678 3.960 0.000 0.000 0.274 202 G C 0.367 175.324 174.900 0.096 0.000 1.159 202 G CA 0.666 45.815 45.100 0.081 0.000 0.969 202 G HN 0.643 nan 8.290 nan 0.000 0.554 203 D N 1.604 122.019 120.400 0.026 0.000 2.350 203 D HA 0.097 4.737 4.640 0.000 0.000 0.213 203 D C 0.890 177.172 176.300 -0.030 0.000 1.031 203 D CA 0.489 54.501 54.000 0.021 0.000 0.861 203 D CB 0.178 40.984 40.800 0.010 0.000 0.926 203 D HN 0.395 nan 8.370 nan 0.000 0.520 204 K N 1.406 121.736 120.400 -0.117 0.000 2.316 204 K HA 0.282 4.602 4.320 0.000 0.000 0.289 204 K C -0.180 176.123 176.600 -0.496 0.000 1.070 204 K CA -0.208 55.934 56.287 -0.242 0.000 0.928 204 K CB 1.668 34.021 32.500 -0.246 0.000 1.039 204 K HN -0.135 nan 8.250 nan 0.000 0.480 205 V N -0.577 119.174 119.914 -0.272 0.000 2.638 205 V HA 0.922 5.042 4.120 0.000 0.000 0.306 205 V C -0.789 175.283 176.094 -0.037 0.000 1.052 205 V CA -0.927 61.231 62.300 -0.236 0.000 0.885 205 V CB 1.618 33.451 31.823 0.016 0.000 0.999 205 V HN 0.778 nan 8.190 nan 0.000 0.424 206 A N 2.955 125.804 122.820 0.048 0.000 2.594 206 A HA 1.065 5.385 4.320 0.000 0.000 0.295 206 A C -0.462 177.261 177.584 0.232 0.000 1.071 206 A CA -0.254 51.927 52.037 0.241 0.000 0.685 206 A CB 1.782 21.071 19.000 0.481 0.000 1.285 206 A HN 2.453 nan 8.150 nan 0.000 0.405 207 A N 0.822 123.725 122.820 0.138 0.000 2.413 207 A HA 0.875 5.195 4.320 0.000 0.000 0.307 207 A C -0.563 176.903 177.584 -0.196 0.000 1.087 207 A CA -0.615 51.399 52.037 -0.039 0.000 0.750 207 A CB 1.460 20.471 19.000 0.018 0.000 1.296 207 A HN 0.904 nan 8.150 nan 0.000 0.423 208 K N 1.517 121.612 120.400 -0.508 0.000 2.578 208 K HA 0.579 4.899 4.320 0.000 0.000 0.250 208 K C -2.095 174.318 176.600 -0.312 0.000 0.955 208 K CA -0.321 55.665 56.287 -0.503 0.000 0.825 208 K CB 0.839 32.624 32.500 -1.192 0.000 1.151 208 K HN 0.490 nan 8.250 nan 0.000 0.432 209 F N 2.396 122.323 119.950 -0.039 0.000 2.427 209 F HA 0.371 4.898 4.527 0.000 0.000 0.346 209 F C 0.200 176.166 175.800 0.276 0.000 1.120 209 F CA -0.540 57.547 58.000 0.145 0.000 1.033 209 F CB 1.718 40.799 39.000 0.134 0.000 1.126 209 F HN 0.481 nan 8.300 nan 0.000 0.462 210 E N 2.085 122.494 120.200 0.350 0.000 2.256 210 E HA 0.593 4.943 4.350 0.000 0.000 0.268 210 E C -1.256 175.317 176.600 -0.045 0.000 0.877 210 E CA -0.490 55.998 56.400 0.147 0.000 0.757 210 E CB 1.693 31.412 29.700 0.032 0.000 1.183 210 E HN 0.677 nan 8.360 nan 0.000 0.418 211 S N 1.558 117.100 115.700 -0.264 0.000 2.745 211 S HA 0.289 4.759 4.470 0.000 0.000 0.306 211 S C 0.932 175.401 174.600 -0.218 0.000 1.137 211 S CA -0.054 57.882 58.200 -0.441 0.000 0.900 211 S CB 1.242 63.894 63.200 -0.914 0.000 1.176 211 S HN 0.543 nan 8.310 nan 0.000 0.520 212 S N -0.153 115.440 115.700 -0.178 0.000 2.447 212 S HA -0.092 4.378 4.470 0.000 0.000 0.233 212 S C 1.354 175.896 174.600 -0.096 0.000 1.006 212 S CA 0.623 58.760 58.200 -0.105 0.000 0.957 212 S CB -0.542 62.609 63.200 -0.081 0.000 0.773 212 S HN 0.665 nan 8.310 nan 0.000 0.507 213 Q N 0.303 120.028 119.800 -0.125 0.000 2.141 213 Q HA 0.290 4.630 4.340 0.000 0.000 0.194 213 Q C 0.711 176.650 176.000 -0.101 0.000 0.975 213 Q CA 0.836 56.579 55.803 -0.100 0.000 0.834 213 Q CB 0.093 28.777 28.738 -0.089 0.000 0.916 213 Q HN 0.456 nan 8.270 nan 0.000 0.484 214 V N -0.198 119.645 119.914 -0.117 0.000 3.229 214 V HA 0.496 4.616 4.120 0.000 0.000 0.310 214 V C -0.484 175.518 176.094 -0.153 0.000 1.206 214 V CA -0.662 61.551 62.300 -0.144 0.000 1.051 214 V CB 2.024 33.744 31.823 -0.172 0.000 1.183 214 V HN 0.064 nan 8.190 nan 0.000 0.466 215 S N -0.263 115.280 115.700 -0.262 0.000 2.626 215 S HA 0.662 5.132 4.470 0.000 0.000 0.275 215 S C -1.772 172.695 174.600 -0.223 0.000 1.175 215 S CA -0.446 57.687 58.200 -0.113 0.000 0.982 215 S CB 0.939 64.131 63.200 -0.012 0.000 1.093 215 S HN 0.505 nan 8.310 nan 0.000 0.472 216 Y N 0.694 121.054 120.300 0.101 0.000 2.487 216 Y HA 0.730 5.280 4.550 0.000 0.000 0.337 216 Y C -0.042 175.909 175.900 0.085 0.000 1.076 216 Y CA -1.103 57.012 58.100 0.025 0.000 1.115 216 Y CB 1.297 39.741 38.460 -0.027 0.000 1.235 216 Y HN 0.346 nan 8.280 nan 0.000 0.468 217 V N 4.572 124.660 119.914 0.291 0.000 2.443 217 V HA 0.439 4.559 4.120 0.000 0.000 0.293 217 V C -0.428 175.787 176.094 0.201 0.000 1.021 217 V CA -0.737 61.693 62.300 0.216 0.000 0.848 217 V CB 1.147 33.128 31.823 0.263 0.000 0.998 217 V HN 0.590 nan 8.190 nan 0.000 0.424 218 I N 3.320 123.985 120.570 0.158 0.000 2.648 218 I HA 0.770 4.941 4.170 0.000 0.000 0.304 218 I C 0.438 176.633 176.117 0.130 0.000 1.009 218 I CA -0.841 60.530 61.300 0.119 0.000 1.114 218 I CB 2.042 40.084 38.000 0.071 0.000 1.293 218 I HN 0.617 nan 8.210 nan 0.000 0.449 219 A N 6.551 129.432 122.820 0.102 0.000 2.301 219 A HA 0.719 5.039 4.320 0.000 0.000 0.298 219 A C -0.285 177.349 177.584 0.084 0.000 1.185 219 A CA -0.490 51.606 52.037 0.098 0.000 0.830 219 A CB 0.511 19.558 19.000 0.078 0.000 1.112 219 A HN 0.711 nan 8.150 nan 0.000 0.508 220 M N 2.067 121.721 119.600 0.091 0.000 2.367 220 M HA 0.282 4.762 4.480 0.000 0.000 0.339 220 M C -0.049 176.300 176.300 0.080 0.000 1.177 220 M CA -0.684 54.674 55.300 0.097 0.000 1.068 220 M CB 1.070 33.752 32.600 0.136 0.000 1.602 220 M HN 0.652 nan 8.290 nan 0.000 0.457 221 E N 0.924 121.168 120.200 0.074 0.000 2.422 221 E HA 0.064 4.415 4.350 0.000 0.000 0.260 221 E C 0.665 177.293 176.600 0.047 0.000 1.108 221 E CA 0.032 56.461 56.400 0.049 0.000 0.943 221 E CB 0.457 30.178 29.700 0.035 0.000 0.961 221 E HN 0.804 nan 8.360 nan 0.000 0.443 222 A N 2.314 125.151 122.820 0.028 0.000 2.125 222 A HA -0.173 4.147 4.320 0.000 0.000 0.219 222 A C 1.141 178.732 177.584 0.010 0.000 1.156 222 A CA 1.262 53.311 52.037 0.020 0.000 0.671 222 A CB -0.205 18.801 19.000 0.010 0.000 0.794 222 A HN 0.419 nan 8.150 nan 0.000 0.459 223 D N 0.583 120.985 120.400 0.003 0.000 2.312 223 D HA 0.002 4.642 4.640 0.000 0.000 0.211 223 D C 0.691 176.980 176.300 -0.017 0.000 0.964 223 D CA 0.506 54.495 54.000 -0.018 0.000 0.877 223 D CB -0.373 40.405 40.800 -0.037 0.000 0.924 223 D HN 0.330 nan 8.370 nan 0.000 0.515 224 S N 0.348 116.057 115.700 0.016 0.000 2.569 224 S HA 0.269 4.739 4.470 0.000 0.000 0.274 224 S C 0.778 175.360 174.600 -0.030 0.000 1.353 224 S CA -0.043 58.160 58.200 0.006 0.000 1.023 224 S CB 0.814 64.077 63.200 0.104 0.000 0.876 224 S HN 0.405 nan 8.310 nan 0.000 0.540 225 T N -0.542 113.945 114.554 -0.112 0.000 2.956 225 T HA 0.662 5.012 4.350 0.000 0.000 0.312 225 T C -1.148 173.478 174.700 -0.123 0.000 1.151 225 T CA -0.923 61.116 62.100 -0.102 0.000 1.024 225 T CB 1.709 70.513 68.868 -0.107 0.000 1.140 225 T HN 0.976 nan 8.240 nan 0.000 0.473 226 H N 0.891 119.882 119.070 -0.131 0.000 2.987 226 H HA 0.469 5.025 4.556 0.000 0.000 0.316 226 H C -2.098 173.249 175.328 0.031 0.000 1.380 226 H CA -0.890 55.157 56.048 -0.001 0.000 1.160 226 H CB 1.222 31.076 29.762 0.152 0.000 1.865 226 H HN 0.696 nan 8.280 nan 0.000 0.521 227 D N 1.075 121.420 120.400 -0.091 0.000 2.943 227 D HA 0.300 4.940 4.640 0.000 0.000 0.347 227 D C -0.759 175.459 176.300 -0.137 0.000 1.305 227 D CA -0.253 53.641 54.000 -0.178 0.000 0.870 227 D CB -0.330 40.370 40.800 -0.167 0.000 1.081 227 D HN 0.161 nan 8.370 nan 0.000 0.492 228 F N 0.000 120.126 119.950 0.293 0.000 2.286 228 F HA 0.000 4.527 4.527 0.000 0.000 0.279 228 F CA 0.000 58.173 58.000 0.288 0.000 1.383 228 F CB 0.000 39.202 39.000 0.336 0.000 1.145 228 F HN 0.000 nan 8.300 nan 0.000 0.574