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 3eoo_1_B DATA FIRST_RESID 7 DATA SEQUENCE ISAGAKFRAA VAAEQPLQVV GAITAYAAKM AEAVGFKAVY LSGGGVAANS DATA SEQUENCE LGIPDLGIST MDDVLVDANR ITNATNLPLL VDIDTGWGGA FNIARTIRSF DATA SEQUENCE IKAGVGAVHL EDQVGQKRCG HRPGKECVPA GEMVDRIKAA VDARTDETFV DATA SEQUENCE IMARTDAAAA EGIDAAIERA IAYVEAGADM IFPEAMKTLD DYRRFKEAVK DATA SEQUENCE VPILANLTEF GSTPLFTLDE LKGANVDIAL YCCGAYRAMN KAALNFYETV DATA SEQUENCE RRDGTQKAAV PTMQTRAQLY DYLGYYAYEE KLDQLF 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 I HA 0.000 nan 4.170 nan 0.000 0.288 7 I C 0.000 176.154 176.117 0.061 0.000 1.063 7 I CA 0.000 61.328 61.300 0.047 0.000 1.566 7 I CB 0.000 38.026 38.000 0.044 0.000 1.214 8 S N 3.312 119.055 115.700 0.072 0.000 2.593 8 S HA 0.625 5.097 4.470 0.002 0.000 0.269 8 S C 1.423 176.093 174.600 0.116 0.000 1.334 8 S CA 0.297 58.551 58.200 0.090 0.000 1.015 8 S CB 1.818 65.077 63.200 0.098 0.000 0.912 8 S HN 0.896 nan 8.310 nan 0.000 0.541 9 A N 3.084 125.985 122.820 0.135 0.000 1.902 9 A HA 0.117 4.438 4.320 0.002 0.000 0.217 9 A C 2.231 179.930 177.584 0.192 0.000 1.181 9 A CA 1.759 53.892 52.037 0.161 0.000 0.623 9 A CB -1.862 17.240 19.000 0.170 0.000 0.818 9 A HN 1.210 nan 8.150 nan 0.000 0.443 10 G N -0.399 108.529 108.800 0.214 0.000 2.446 10 G HA2 -0.065 3.896 3.960 0.002 0.000 0.217 10 G HA3 -0.065 3.896 3.960 0.002 0.000 0.217 10 G C 1.775 176.788 174.900 0.189 0.000 1.168 10 G CA 1.677 46.895 45.100 0.197 0.000 0.771 10 G HN 0.847 nan 8.290 nan 0.000 0.551 11 A N 0.747 123.659 122.820 0.154 0.000 1.902 11 A HA -0.010 4.311 4.320 0.002 0.000 0.217 11 A C 2.317 179.974 177.584 0.121 0.000 1.181 11 A CA 1.951 54.061 52.037 0.122 0.000 0.623 11 A CB -0.352 18.705 19.000 0.094 0.000 0.818 11 A HN 0.378 nan 8.150 nan 0.000 0.443 12 K N -1.638 118.843 120.400 0.135 0.000 2.103 12 K HA -0.158 4.164 4.320 0.002 0.000 0.207 12 K C 1.799 178.490 176.600 0.151 0.000 1.048 12 K CA 1.619 57.982 56.287 0.127 0.000 0.930 12 K CB -0.356 32.222 32.500 0.130 0.000 0.716 12 K HN 0.524 nan 8.250 nan 0.000 0.444 13 F N 2.136 122.113 119.950 0.045 0.000 2.113 13 F HA -0.133 4.395 4.527 0.002 0.000 0.297 13 F C 2.311 178.123 175.800 0.020 0.000 1.103 13 F CA 1.334 59.352 58.000 0.031 0.000 1.248 13 F CB 0.025 39.035 39.000 0.018 0.000 0.999 13 F HN -0.132 nan 8.300 nan 0.000 0.475 14 R N 0.155 120.754 120.500 0.164 0.000 2.091 14 R HA -0.159 4.182 4.340 0.002 0.000 0.238 14 R C 2.410 178.700 176.300 -0.016 0.000 1.136 14 R CA 1.268 57.403 56.100 0.058 0.000 0.959 14 R CB -0.959 29.397 30.300 0.093 0.000 0.856 14 R HN 0.379 nan 8.270 nan 0.000 0.437 15 A N 1.433 124.256 122.820 0.006 0.000 1.902 15 A HA -0.111 4.210 4.320 0.002 0.000 0.217 15 A C 2.406 179.961 177.584 -0.049 0.000 1.181 15 A CA 1.675 53.707 52.037 -0.009 0.000 0.623 15 A CB -0.637 18.372 19.000 0.016 0.000 0.818 15 A HN 0.400 nan 8.150 nan 0.000 0.443 16 A N -0.548 122.219 122.820 -0.089 0.000 1.933 16 A HA 0.026 4.347 4.320 0.002 0.000 0.218 16 A C 2.174 179.653 177.584 -0.174 0.000 1.175 16 A CA 1.755 53.715 52.037 -0.128 0.000 0.628 16 A CB -0.804 18.096 19.000 -0.168 0.000 0.814 16 A HN 0.432 nan 8.150 nan 0.000 0.444 17 V N -0.344 119.425 119.914 -0.241 0.000 2.427 17 V HA -0.167 3.954 4.120 0.002 0.000 0.248 17 V C 2.922 178.950 176.094 -0.110 0.000 1.051 17 V CA 1.699 63.874 62.300 -0.208 0.000 1.048 17 V CB -1.172 30.515 31.823 -0.227 0.000 0.666 17 V HN 0.576 nan 8.190 nan 0.000 0.456 18 A N -0.093 122.680 122.820 -0.079 0.000 2.014 18 A HA 0.139 4.461 4.320 0.002 0.000 0.218 18 A C 2.231 179.790 177.584 -0.042 0.000 1.163 18 A CA 1.590 53.599 52.037 -0.046 0.000 0.652 18 A CB -0.393 18.590 19.000 -0.028 0.000 0.808 18 A HN 0.555 nan 8.150 nan 0.000 0.449 19 A N -1.369 121.423 122.820 -0.047 0.000 2.195 19 A HA 0.300 4.621 4.320 0.002 0.000 0.210 19 A C 0.695 178.257 177.584 -0.037 0.000 1.165 19 A CA 0.604 52.620 52.037 -0.035 0.000 0.806 19 A CB 0.042 19.025 19.000 -0.029 0.000 0.847 19 A HN 0.487 nan 8.150 nan 0.000 0.482 20 E N 0.771 120.942 120.200 -0.048 0.000 2.287 20 E HA 0.329 4.680 4.350 0.002 0.000 0.274 20 E C -1.712 174.859 176.600 -0.049 0.000 0.896 20 E CA -0.460 55.915 56.400 -0.041 0.000 0.788 20 E CB 0.768 30.449 29.700 -0.032 0.000 1.244 20 E HN 0.409 nan 8.360 nan 0.000 0.408 21 Q N 4.579 124.354 119.800 -0.041 0.000 2.294 21 Q HA 0.394 4.735 4.340 0.002 0.000 0.264 21 Q C -2.569 173.405 176.000 -0.042 0.000 0.992 21 Q CA -2.131 53.643 55.803 -0.048 0.000 0.747 21 Q CB 2.171 30.883 28.738 -0.043 0.000 1.262 21 Q HN 0.371 nan 8.270 nan 0.000 0.452 22 P HA 0.142 nan 4.420 nan 0.000 0.274 22 P C -0.747 176.524 177.300 -0.048 0.000 1.237 22 P CA -0.739 62.321 63.100 -0.067 0.000 0.793 22 P CB 0.630 32.276 31.700 -0.090 0.000 0.977 23 L N 1.881 123.062 121.223 -0.069 0.000 2.281 23 L HA 0.215 4.556 4.340 0.002 0.000 0.285 23 L C 0.064 176.934 176.870 0.000 0.000 1.074 23 L CA 0.124 54.936 54.840 -0.047 0.000 0.817 23 L CB 0.079 42.067 42.059 -0.118 0.000 1.168 23 L HN 0.260 nan 8.230 nan 0.000 0.434 24 Q N 3.786 123.656 119.800 0.118 0.000 2.296 24 Q HA 0.407 4.748 4.340 0.002 0.000 0.262 24 Q C -0.996 175.133 176.000 0.214 0.000 0.981 24 Q CA -0.093 55.871 55.803 0.268 0.000 0.905 24 Q CB 1.765 30.783 28.738 0.467 0.000 1.186 24 Q HN 0.633 nan 8.270 nan 0.000 0.399 25 V N 4.158 124.144 119.914 0.120 0.000 2.569 25 V HA 0.566 4.687 4.120 0.002 0.000 0.301 25 V C -0.866 175.231 176.094 0.005 0.000 1.044 25 V CA -0.683 61.641 62.300 0.040 0.000 0.874 25 V CB 1.730 33.593 31.823 0.065 0.000 1.002 25 V HN 0.543 nan 8.190 nan 0.000 0.424 26 V N 4.022 123.848 119.914 -0.146 0.000 2.547 26 V HA 0.974 5.096 4.120 0.002 0.000 0.299 26 V C 0.705 176.815 176.094 0.026 0.000 1.040 26 V CA 0.017 62.227 62.300 -0.150 0.000 0.913 26 V CB 1.280 32.759 31.823 -0.573 0.000 0.992 26 V HN 1.138 nan 8.190 nan 0.000 0.449 27 G N 2.181 111.068 108.800 0.145 0.000 2.432 27 G HA2 0.622 4.583 3.960 0.002 0.000 0.257 27 G HA3 0.622 4.583 3.960 0.002 0.000 0.257 27 G C -0.198 174.783 174.900 0.135 0.000 1.238 27 G CA -0.018 45.243 45.100 0.267 0.000 0.838 27 G HN 1.699 nan 8.290 nan 0.000 0.547 28 A N 1.791 124.681 122.820 0.116 0.000 2.359 28 A HA 0.553 4.874 4.320 0.002 0.000 0.303 28 A C 0.758 178.389 177.584 0.078 0.000 1.066 28 A CA -0.716 51.369 52.037 0.079 0.000 0.730 28 A CB 1.039 20.065 19.000 0.043 0.000 1.211 28 A HN 1.103 nan 8.150 nan 0.000 0.439 29 I N 0.413 121.037 120.570 0.090 0.000 3.603 29 I HA 0.203 4.375 4.170 0.002 0.000 0.297 29 I C 0.737 176.872 176.117 0.030 0.000 1.269 29 I CA 0.806 62.132 61.300 0.043 0.000 1.361 29 I CB -0.048 37.955 38.000 0.006 0.000 1.063 29 I HN 0.510 nan 8.210 nan 0.000 0.448 30 T N -3.255 111.330 114.554 0.053 0.000 2.883 30 T HA 0.736 5.087 4.350 0.002 0.000 0.296 30 T C 0.860 175.605 174.700 0.076 0.000 1.117 30 T CA -0.295 61.842 62.100 0.062 0.000 1.006 30 T CB 1.989 70.909 68.868 0.087 0.000 1.191 30 T HN 0.005 nan 8.240 nan 0.000 0.508 31 A N 0.594 123.465 122.820 0.085 0.000 1.892 31 A HA -0.074 4.247 4.320 0.002 0.000 0.218 31 A C 1.956 179.620 177.584 0.133 0.000 1.188 31 A CA 1.961 54.056 52.037 0.097 0.000 0.631 31 A CB -1.515 17.543 19.000 0.096 0.000 0.822 31 A HN 0.969 nan 8.150 nan 0.000 0.447 32 Y N 0.583 120.900 120.300 0.028 0.000 2.181 32 Y HA -0.058 4.493 4.550 0.002 0.000 0.288 32 Y C 2.672 178.580 175.900 0.013 0.000 1.146 32 Y CA 1.006 59.123 58.100 0.028 0.000 1.164 32 Y CB -0.685 37.785 38.460 0.018 0.000 0.982 32 Y HN 0.328 nan 8.280 nan 0.000 0.515 33 A N 0.697 123.510 122.820 -0.011 0.000 1.903 33 A HA -0.261 4.061 4.320 0.002 0.000 0.219 33 A C 2.486 180.001 177.584 -0.116 0.000 1.191 33 A CA 2.535 54.514 52.037 -0.097 0.000 0.638 33 A CB -1.634 17.370 19.000 0.008 0.000 0.823 33 A HN 0.627 nan 8.150 nan 0.000 0.451 34 A N -0.607 122.191 122.820 -0.037 0.000 1.908 34 A HA -0.194 4.127 4.320 0.002 0.000 0.218 34 A C 2.129 179.701 177.584 -0.021 0.000 1.181 34 A CA 1.897 53.930 52.037 -0.006 0.000 0.627 34 A CB -0.482 18.540 19.000 0.036 0.000 0.818 34 A HN 0.554 nan 8.150 nan 0.000 0.445 35 K N -1.046 119.323 120.400 -0.052 0.000 2.063 35 K HA -0.136 4.186 4.320 0.002 0.000 0.208 35 K C 2.144 178.702 176.600 -0.070 0.000 1.048 35 K CA 1.747 58.017 56.287 -0.028 0.000 0.928 35 K CB -0.301 32.197 32.500 -0.003 0.000 0.713 35 K HN 0.541 nan 8.250 nan 0.000 0.442 36 M N 0.075 119.502 119.600 -0.288 0.000 2.067 36 M HA -0.167 4.314 4.480 0.002 0.000 0.260 36 M C 2.466 178.715 176.300 -0.085 0.000 1.069 36 M CA 1.610 56.698 55.300 -0.353 0.000 1.117 36 M CB -0.446 31.804 32.600 -0.584 0.000 1.334 36 M HN 0.193 nan 8.290 nan 0.000 0.407 37 A N 0.103 122.909 122.820 -0.024 0.000 1.917 37 A HA -0.267 4.054 4.320 0.002 0.000 0.219 37 A C 1.964 179.696 177.584 0.247 0.000 1.182 37 A CA 2.278 54.405 52.037 0.151 0.000 0.633 37 A CB -0.923 18.103 19.000 0.043 0.000 0.819 37 A HN 0.619 nan 8.150 nan 0.000 0.448 38 E N -0.395 119.891 120.200 0.143 0.000 2.047 38 E HA -0.092 4.259 4.350 0.002 0.000 0.191 38 E C 2.200 178.879 176.600 0.132 0.000 0.987 38 E CA 0.979 57.465 56.400 0.143 0.000 0.799 38 E CB -0.283 29.483 29.700 0.110 0.000 0.752 38 E HN 0.544 nan 8.360 nan 0.000 0.449 39 A N 0.552 123.465 122.820 0.154 0.000 1.908 39 A HA -0.161 4.160 4.320 0.002 0.000 0.218 39 A C 2.333 180.003 177.584 0.143 0.000 1.181 39 A CA 1.587 53.742 52.037 0.197 0.000 0.627 39 A CB -0.649 18.612 19.000 0.434 0.000 0.818 39 A HN 0.242 nan 8.150 nan 0.000 0.445 40 V N -1.166 118.822 119.914 0.123 0.000 3.141 40 V HA 0.165 4.286 4.120 0.002 0.000 0.265 40 V C 1.874 177.894 176.094 -0.123 0.000 1.126 40 V CA 1.398 63.713 62.300 0.026 0.000 1.141 40 V CB -0.817 31.032 31.823 0.043 0.000 0.743 40 V HN 1.174 nan 8.190 nan 0.000 0.492 41 G N -1.155 107.602 108.800 -0.072 0.000 2.192 41 G HA2 -0.205 3.757 3.960 0.002 0.000 0.193 41 G HA3 -0.205 3.757 3.960 0.002 0.000 0.193 41 G C -0.053 174.751 174.900 -0.159 0.000 0.999 41 G CA -0.435 44.590 45.100 -0.125 0.000 0.659 41 G HN 0.329 nan 8.290 nan 0.000 0.503 42 F N 1.044 121.001 119.950 0.012 0.000 2.539 42 F HA 0.417 4.945 4.527 0.002 0.000 0.340 42 F C 1.845 177.660 175.800 0.024 0.000 1.185 42 F CA 0.630 58.639 58.000 0.016 0.000 1.333 42 F CB 0.674 39.688 39.000 0.024 0.000 1.152 42 F HN -0.077 nan 8.300 nan 0.000 0.602 43 K N 1.038 121.578 120.400 0.235 0.000 2.354 43 K HA 0.503 4.824 4.320 0.002 0.000 0.194 43 K C -0.142 176.536 176.600 0.130 0.000 1.038 43 K CA 0.280 56.644 56.287 0.127 0.000 1.052 43 K CB 0.572 33.106 32.500 0.056 0.000 0.861 43 K HN 0.563 nan 8.250 nan 0.000 0.535 44 A N 1.067 123.986 122.820 0.166 0.000 2.574 44 A HA 0.568 4.889 4.320 0.002 0.000 0.297 44 A C -0.899 176.782 177.584 0.161 0.000 1.062 44 A CA -0.788 51.359 52.037 0.183 0.000 0.686 44 A CB 1.444 20.556 19.000 0.185 0.000 1.285 44 A HN -0.048 nan 8.150 nan 0.000 0.403 45 V N -1.122 118.901 119.914 0.183 0.000 3.074 45 V HA 0.905 5.026 4.120 0.002 0.000 0.314 45 V C -0.841 175.389 176.094 0.226 0.000 1.117 45 V CA -0.919 61.468 62.300 0.146 0.000 1.014 45 V CB 1.592 33.472 31.823 0.096 0.000 1.057 45 V HN 1.410 nan 8.190 nan 0.000 0.438 46 Y N 2.445 122.777 120.300 0.055 0.000 2.442 46 Y HA 0.778 5.330 4.550 0.002 0.000 0.344 46 Y C -1.274 174.669 175.900 0.071 0.000 0.976 46 Y CA -1.227 56.914 58.100 0.067 0.000 1.040 46 Y CB 2.114 40.617 38.460 0.073 0.000 1.228 46 Y HN 0.888 nan 8.280 nan 0.000 0.451 47 L N 6.360 127.237 121.223 -0.576 0.000 2.276 47 L HA 0.521 4.862 4.340 0.002 0.000 0.286 47 L C -0.441 175.916 176.870 -0.857 0.000 1.024 47 L CA -0.115 54.433 54.840 -0.487 0.000 0.826 47 L CB 1.011 42.946 42.059 -0.207 0.000 1.211 47 L HN 0.663 nan 8.230 nan 0.000 0.422 48 S N 3.112 118.471 115.700 -0.569 0.000 2.545 48 S HA 0.440 4.911 4.470 0.002 0.000 0.275 48 S C 1.348 175.908 174.600 -0.066 0.000 1.299 48 S CA 0.045 58.104 58.200 -0.235 0.000 1.048 48 S CB 1.273 64.614 63.200 0.235 0.000 0.938 48 S HN 0.903 nan 8.310 nan 0.000 0.496 49 G N 3.687 112.489 108.800 0.004 0.000 2.433 49 G HA2 -0.045 3.916 3.960 0.002 0.000 0.216 49 G HA3 -0.045 3.916 3.960 0.002 0.000 0.216 49 G C 1.386 176.326 174.900 0.066 0.000 1.186 49 G CA 0.593 45.720 45.100 0.044 0.000 0.779 49 G HN 1.000 nan 8.290 nan 0.000 0.543 50 G N 0.631 109.488 108.800 0.096 0.000 2.448 50 G HA2 0.088 4.049 3.960 0.002 0.000 0.219 50 G HA3 0.088 4.049 3.960 0.002 0.000 0.219 50 G C 1.691 176.607 174.900 0.028 0.000 1.127 50 G CA 1.348 46.501 45.100 0.087 0.000 0.766 50 G HN 0.612 nan 8.290 nan 0.000 0.552 51 G N 0.477 109.289 108.800 0.020 0.000 2.402 51 G HA2 -0.122 3.839 3.960 0.002 0.000 0.216 51 G HA3 -0.122 3.839 3.960 0.002 0.000 0.216 51 G C 1.755 176.542 174.900 -0.189 0.000 1.162 51 G CA 1.111 46.105 45.100 -0.177 0.000 0.777 51 G HN 0.299 nan 8.290 nan 0.000 0.539 52 V N 1.599 121.469 119.914 -0.075 0.000 2.295 52 V HA -0.146 3.975 4.120 0.002 0.000 0.246 52 V C 3.330 179.395 176.094 -0.048 0.000 1.049 52 V CA 2.138 64.408 62.300 -0.049 0.000 1.024 52 V CB -0.905 30.921 31.823 0.005 0.000 0.648 52 V HN 0.474 nan 8.190 nan 0.000 0.447 53 A N -0.152 122.654 122.820 -0.022 0.000 1.877 53 A HA -0.091 4.231 4.320 0.002 0.000 0.216 53 A C 2.404 179.967 177.584 -0.035 0.000 1.186 53 A CA 2.214 54.246 52.037 -0.007 0.000 0.620 53 A CB -0.845 18.170 19.000 0.026 0.000 0.822 53 A HN 0.562 nan 8.150 nan 0.000 0.443 54 A N 0.031 122.809 122.820 -0.070 0.000 1.855 54 A HA -0.144 4.178 4.320 0.002 0.000 0.215 54 A C 2.025 179.547 177.584 -0.104 0.000 1.191 54 A CA 1.583 53.573 52.037 -0.079 0.000 0.613 54 A CB -0.561 18.383 19.000 -0.093 0.000 0.829 54 A HN 0.595 nan 8.150 nan 0.000 0.442 55 N N -0.101 118.490 118.700 -0.182 0.000 2.148 55 N HA -0.058 4.683 4.740 0.002 0.000 0.186 55 N C 1.972 177.435 175.510 -0.078 0.000 1.031 55 N CA 1.611 54.572 53.050 -0.150 0.000 0.848 55 N CB -0.311 38.035 38.487 -0.235 0.000 1.005 55 N HN 0.394 nan 8.380 nan 0.000 0.427 56 S N 1.014 116.670 115.700 -0.073 0.000 2.414 56 S HA 0.156 4.628 4.470 0.002 0.000 0.227 56 S C 2.050 176.631 174.600 -0.032 0.000 1.022 56 S CA 0.574 58.748 58.200 -0.043 0.000 0.958 56 S CB 0.130 63.307 63.200 -0.038 0.000 0.797 56 S HN 0.217 nan 8.310 nan 0.000 0.493 57 L N -0.280 120.924 121.223 -0.032 0.000 2.575 57 L HA 0.338 4.680 4.340 0.002 0.000 0.228 57 L C 1.477 178.337 176.870 -0.016 0.000 1.075 57 L CA 0.375 55.202 54.840 -0.021 0.000 0.867 57 L CB -0.338 41.712 42.059 -0.014 0.000 1.097 57 L HN 0.440 nan 8.230 nan 0.000 0.485 58 G N 2.334 111.122 108.800 -0.019 0.000 2.182 58 G HA2 -0.255 3.706 3.960 0.002 0.000 0.248 58 G HA3 -0.255 3.706 3.960 0.002 0.000 0.248 58 G C 0.030 174.928 174.900 -0.003 0.000 1.042 58 G CA 0.545 45.638 45.100 -0.011 0.000 0.775 58 G HN 0.472 nan 8.290 nan 0.000 0.501 59 I N -3.372 117.197 120.570 -0.002 0.000 2.769 59 I HA 0.776 4.947 4.170 0.002 0.000 0.298 59 I C -2.344 173.781 176.117 0.014 0.000 1.128 59 I CA -3.222 58.083 61.300 0.008 0.000 1.031 59 I CB 2.278 40.284 38.000 0.011 0.000 1.235 59 I HN -0.104 nan 8.210 nan 0.000 0.423 60 P HA 0.000 nan 4.420 nan 0.000 0.271 60 P C -0.696 176.626 177.300 0.036 0.000 1.233 60 P CA 0.087 63.205 63.100 0.029 0.000 0.789 60 P CB 0.482 32.199 31.700 0.029 0.000 0.951 61 D N 1.300 121.726 120.400 0.043 0.000 2.688 61 D HA 0.098 4.739 4.640 0.002 0.000 0.228 61 D C -0.153 176.173 176.300 0.044 0.000 1.116 61 D CA 0.041 54.071 54.000 0.049 0.000 1.023 61 D CB -0.991 39.844 40.800 0.059 0.000 1.100 61 D HN -0.021 nan 8.370 nan 0.000 0.487 62 L N 0.975 122.224 121.223 0.044 0.000 3.062 62 L HA 0.352 4.693 4.340 0.002 0.000 0.255 62 L C 1.564 178.460 176.870 0.043 0.000 1.274 62 L CA -0.317 54.547 54.840 0.040 0.000 1.047 62 L CB -0.048 42.035 42.059 0.040 0.000 1.402 62 L HN 0.451 nan 8.230 nan 0.000 0.550 63 G N 0.071 108.901 108.800 0.049 0.000 2.283 63 G HA2 -0.322 3.640 3.960 0.002 0.000 0.280 63 G HA3 -0.322 3.640 3.960 0.002 0.000 0.280 63 G C 1.106 176.068 174.900 0.103 0.000 1.029 63 G CA 0.939 46.080 45.100 0.068 0.000 0.840 63 G HN 0.461 nan 8.290 nan 0.000 0.505 64 I N -0.024 120.603 120.570 0.095 0.000 2.556 64 I HA 0.084 4.255 4.170 0.002 0.000 0.251 64 I C 1.965 178.143 176.117 0.103 0.000 1.105 64 I CA 0.622 61.973 61.300 0.084 0.000 1.436 64 I CB -0.272 37.760 38.000 0.053 0.000 1.139 64 I HN 0.278 nan 8.210 nan 0.000 0.438 65 S N 1.776 117.546 115.700 0.117 0.000 3.799 65 S HA -0.105 4.367 4.470 0.002 0.000 0.454 65 S C 0.413 175.129 174.600 0.192 0.000 1.130 65 S CA 0.361 58.651 58.200 0.149 0.000 0.966 65 S CB -0.368 62.967 63.200 0.225 0.000 0.680 65 S HN 0.481 nan 8.310 nan 0.000 0.496 66 T N 3.681 118.205 114.554 -0.050 0.000 2.944 66 T HA 0.376 4.728 4.350 0.002 0.000 0.284 66 T C 1.469 175.609 174.700 -0.934 0.000 1.010 66 T CA -0.913 60.954 62.100 -0.388 0.000 1.025 66 T CB 1.035 69.739 68.868 -0.274 0.000 1.079 66 T HN 0.640 nan 8.240 nan 0.000 0.516 67 M N 0.562 119.160 119.600 -1.670 0.000 2.195 67 M HA -0.181 4.300 4.480 0.002 0.000 0.260 67 M C 0.749 176.634 176.300 -0.692 0.000 1.066 67 M CA 2.237 56.549 55.300 -1.647 0.000 1.089 67 M CB -0.840 31.164 32.600 -0.994 0.000 1.377 67 M HN 0.750 nan 8.290 nan 0.000 0.411 68 D N 0.196 120.314 120.400 -0.471 0.000 2.194 68 D HA -0.129 4.512 4.640 0.002 0.000 0.204 68 D C 1.559 177.728 176.300 -0.219 0.000 0.964 68 D CA 1.099 54.922 54.000 -0.294 0.000 0.846 68 D CB -0.232 40.437 40.800 -0.218 0.000 0.962 68 D HN 0.368 nan 8.370 nan 0.000 0.490 69 D N 0.513 120.789 120.400 -0.206 0.000 2.106 69 D HA -0.135 4.506 4.640 0.002 0.000 0.191 69 D C 2.260 178.515 176.300 -0.075 0.000 0.997 69 D CA 0.891 54.821 54.000 -0.116 0.000 0.834 69 D CB -0.387 40.363 40.800 -0.083 0.000 0.956 69 D HN 0.088 nan 8.370 nan 0.000 0.448 70 V N 1.276 121.153 119.914 -0.061 0.000 2.407 70 V HA -0.200 3.921 4.120 0.002 0.000 0.248 70 V C 2.716 178.859 176.094 0.081 0.000 1.055 70 V CA 0.922 63.269 62.300 0.079 0.000 1.049 70 V CB -0.450 31.522 31.823 0.248 0.000 0.662 70 V HN 0.196 nan 8.190 nan 0.000 0.455 71 L N 0.343 121.516 121.223 -0.084 0.000 2.013 71 L HA -0.209 4.132 4.340 0.002 0.000 0.212 71 L C 2.678 179.471 176.870 -0.128 0.000 1.073 71 L CA 2.212 56.912 54.840 -0.233 0.000 0.753 71 L CB -0.575 41.264 42.059 -0.366 0.000 0.890 71 L HN 0.468 nan 8.230 nan 0.000 0.432 72 V N -2.139 117.716 119.914 -0.099 0.000 2.427 72 V HA -0.245 3.877 4.120 0.002 0.000 0.248 72 V C 1.875 177.950 176.094 -0.032 0.000 1.051 72 V CA 2.190 64.449 62.300 -0.068 0.000 1.048 72 V CB -0.511 31.274 31.823 -0.063 0.000 0.666 72 V HN 0.367 nan 8.190 nan 0.000 0.456 73 D N 1.401 121.793 120.400 -0.014 0.000 2.117 73 D HA -0.005 4.636 4.640 0.002 0.000 0.198 73 D C 2.341 178.658 176.300 0.029 0.000 0.982 73 D CA 1.986 55.991 54.000 0.008 0.000 0.828 73 D CB -0.552 40.253 40.800 0.009 0.000 0.967 73 D HN 0.606 nan 8.370 nan 0.000 0.464 74 A N 0.703 123.557 122.820 0.056 0.000 1.933 74 A HA -0.201 4.120 4.320 0.002 0.000 0.218 74 A C 2.041 179.657 177.584 0.053 0.000 1.175 74 A CA 1.295 53.390 52.037 0.097 0.000 0.628 74 A CB -0.481 18.659 19.000 0.234 0.000 0.814 74 A HN 0.145 nan 8.150 nan 0.000 0.444 75 N N -0.406 118.296 118.700 0.005 0.000 2.106 75 N HA -0.112 4.629 4.740 0.002 0.000 0.188 75 N C 1.968 177.485 175.510 0.013 0.000 1.029 75 N CA 1.190 54.237 53.050 -0.006 0.000 0.848 75 N CB -0.239 38.223 38.487 -0.042 0.000 1.007 75 N HN 0.503 nan 8.380 nan 0.000 0.423 76 R N 0.642 121.150 120.500 0.013 0.000 2.083 76 R HA -0.045 4.296 4.340 0.002 0.000 0.237 76 R C 2.366 178.691 176.300 0.042 0.000 1.137 76 R CA 1.046 57.161 56.100 0.024 0.000 0.951 76 R CB -0.295 30.017 30.300 0.020 0.000 0.851 76 R HN 0.266 nan 8.270 nan 0.000 0.434 77 I N 0.384 120.982 120.570 0.045 0.000 2.142 77 I HA -0.267 3.904 4.170 0.002 0.000 0.240 77 I C 2.441 178.596 176.117 0.063 0.000 1.078 77 I CA 1.841 63.175 61.300 0.057 0.000 1.343 77 I CB -0.631 37.402 38.000 0.054 0.000 1.046 77 I HN 0.352 nan 8.210 nan 0.000 0.405 78 T N -1.804 112.788 114.554 0.063 0.000 2.995 78 T HA -0.041 4.310 4.350 0.002 0.000 0.269 78 T C 1.545 176.280 174.700 0.059 0.000 1.091 78 T CA 0.804 62.944 62.100 0.068 0.000 1.128 78 T CB -0.418 68.494 68.868 0.074 0.000 0.891 78 T HN 0.240 nan 8.240 nan 0.000 0.492 79 N N 1.834 120.564 118.700 0.050 0.000 2.396 79 N HA 0.149 4.890 4.740 0.002 0.000 0.180 79 N C 1.889 177.436 175.510 0.061 0.000 1.028 79 N CA 1.143 54.222 53.050 0.048 0.000 0.893 79 N CB -0.249 38.263 38.487 0.040 0.000 0.967 79 N HN 0.648 nan 8.380 nan 0.000 0.440 80 A N -0.639 122.223 122.820 0.070 0.000 2.063 80 A HA 0.107 4.429 4.320 0.002 0.000 0.211 80 A C 1.199 178.834 177.584 0.086 0.000 1.177 80 A CA 0.514 52.602 52.037 0.086 0.000 0.759 80 A CB 0.264 19.321 19.000 0.095 0.000 0.857 80 A HN 0.203 nan 8.150 nan 0.000 0.468 81 T N -0.317 114.284 114.554 0.078 0.000 2.916 81 T HA 0.365 4.716 4.350 0.002 0.000 0.292 81 T C -0.046 174.700 174.700 0.076 0.000 1.055 81 T CA -0.287 61.861 62.100 0.079 0.000 1.009 81 T CB 0.883 69.799 68.868 0.081 0.000 1.118 81 T HN 0.391 nan 8.240 nan 0.000 0.497 82 N N 3.416 122.161 118.700 0.075 0.000 2.214 82 N HA 0.144 4.886 4.740 0.002 0.000 0.214 82 N C 0.103 175.666 175.510 0.088 0.000 1.132 82 N CA -0.345 52.750 53.050 0.074 0.000 0.856 82 N CB 0.389 38.911 38.487 0.060 0.000 1.020 82 N HN 0.401 nan 8.380 nan 0.000 0.509 83 L N 2.170 123.453 121.223 0.100 0.000 2.397 83 L HA 0.312 4.653 4.340 0.002 0.000 0.271 83 L C -1.903 175.053 176.870 0.143 0.000 1.148 83 L CA -1.656 53.257 54.840 0.121 0.000 0.825 83 L CB 0.278 42.414 42.059 0.129 0.000 1.117 83 L HN -0.117 nan 8.230 nan 0.000 0.456 84 P HA 0.084 nan 4.420 nan 0.000 0.268 84 P C -0.879 176.561 177.300 0.233 0.000 1.204 84 P CA -0.320 62.918 63.100 0.229 0.000 0.768 84 P CB 1.137 33.047 31.700 0.351 0.000 0.842 85 L N 4.629 125.941 121.223 0.148 0.000 2.322 85 L HA 0.546 4.888 4.340 0.002 0.000 0.281 85 L C -1.065 175.806 176.870 0.001 0.000 1.014 85 L CA -0.967 53.938 54.840 0.108 0.000 0.815 85 L CB 1.338 43.453 42.059 0.094 0.000 1.247 85 L HN 0.211 nan 8.230 nan 0.000 0.421 86 L N 6.061 127.296 121.223 0.019 0.000 2.309 86 L HA 0.796 5.137 4.340 0.002 0.000 0.282 86 L C -1.244 175.602 176.870 -0.041 0.000 1.036 86 L CA -0.147 54.650 54.840 -0.072 0.000 0.806 86 L CB 1.774 43.845 42.059 0.020 0.000 1.220 86 L HN 0.459 nan 8.230 nan 0.000 0.429 87 V N 3.762 123.580 119.914 -0.159 0.000 2.588 87 V HA 0.329 4.450 4.120 0.002 0.000 0.304 87 V C -0.850 174.970 176.094 -0.457 0.000 1.042 87 V CA -0.732 61.391 62.300 -0.294 0.000 0.877 87 V CB 1.717 33.377 31.823 -0.273 0.000 0.996 87 V HN 0.785 nan 8.190 nan 0.000 0.425 88 D N 4.583 124.674 120.400 -0.515 0.000 2.338 88 D HA 0.191 4.832 4.640 0.002 0.000 0.255 88 D C 0.651 176.654 176.300 -0.495 0.000 1.237 88 D CA -0.138 53.426 54.000 -0.726 0.000 0.883 88 D CB 0.846 41.496 40.800 -0.250 0.000 1.087 88 D HN 0.601 nan 8.370 nan 0.000 0.485 89 I N -0.139 120.076 120.570 -0.592 0.000 3.856 89 I HA 0.204 4.376 4.170 0.002 0.000 0.333 89 I C 0.318 175.914 176.117 -0.868 0.000 1.525 89 I CA -0.718 60.225 61.300 -0.596 0.000 1.173 89 I CB -0.036 37.691 38.000 -0.454 0.000 1.175 89 I HN 0.078 nan 8.210 nan 0.000 0.424 90 D N 2.571 122.610 120.400 -0.602 0.000 3.750 90 D HA -0.345 4.296 4.640 0.002 0.000 0.149 90 D C 1.415 177.445 176.300 -0.450 0.000 0.867 90 D CA 3.038 56.735 54.000 -0.506 0.000 1.010 90 D CB -0.761 39.662 40.800 -0.628 0.000 0.462 90 D HN 0.550 nan 8.370 nan 0.000 0.436 91 T N -2.188 112.067 114.554 -0.499 0.000 3.086 91 T HA 0.448 4.800 4.350 0.002 0.000 0.250 91 T C 1.330 175.847 174.700 -0.305 0.000 1.074 91 T CA 1.250 63.153 62.100 -0.329 0.000 0.988 91 T CB 0.440 69.163 68.868 -0.242 0.000 0.988 91 T HN 1.185 nan 8.240 nan 0.000 0.530 92 G N 0.835 109.358 108.800 -0.462 0.000 2.176 92 G HA2 -0.216 3.745 3.960 0.002 0.000 0.232 92 G HA3 -0.216 3.745 3.960 0.002 0.000 0.232 92 G C 0.300 175.261 174.900 0.101 0.000 0.986 92 G CA -0.207 44.787 45.100 -0.176 0.000 0.643 92 G HN 0.505 nan 8.290 nan 0.000 0.522 93 W N -0.806 120.498 121.300 0.007 0.000 5.158 93 W HA 0.004 4.665 4.660 0.002 0.000 0.393 93 W C 1.066 177.594 176.519 0.015 0.000 1.508 93 W CA 1.399 58.752 57.345 0.015 0.000 0.901 93 W CB -2.007 27.473 29.460 0.034 0.000 2.676 93 W HN 2.009 nan 8.180 nan 0.000 1.392 94 G N -1.100 107.773 108.800 0.121 0.000 2.325 94 G HA2 0.388 4.349 3.960 0.002 0.000 0.285 94 G HA3 0.388 4.349 3.960 0.002 0.000 0.285 94 G C 0.213 175.127 174.900 0.024 0.000 1.303 94 G CA -0.187 44.961 45.100 0.081 0.000 0.970 94 G HN 0.648 nan 8.290 nan 0.000 0.490 95 G N -0.847 107.955 108.800 0.004 0.000 2.479 95 G HA2 0.580 4.541 3.960 0.002 0.000 0.275 95 G HA3 0.580 4.541 3.960 0.002 0.000 0.275 95 G C 1.666 176.502 174.900 -0.108 0.000 1.421 95 G CA 1.339 46.394 45.100 -0.074 0.000 1.059 95 G HN 1.926 nan 8.290 nan 0.000 0.535 96 A N -1.181 121.486 122.820 -0.256 0.000 1.933 96 A HA 0.049 4.370 4.320 0.002 0.000 0.218 96 A C 2.068 179.559 177.584 -0.155 0.000 1.175 96 A CA 1.728 53.611 52.037 -0.257 0.000 0.628 96 A CB -0.504 18.265 19.000 -0.385 0.000 0.814 96 A HN 0.450 nan 8.150 nan 0.000 0.444 97 F N 0.687 120.656 119.950 0.033 0.000 2.259 97 F HA -0.058 4.470 4.527 0.002 0.000 0.298 97 F C 2.242 178.070 175.800 0.046 0.000 1.088 97 F CA 0.867 58.887 58.000 0.033 0.000 1.358 97 F CB -0.804 38.212 39.000 0.026 0.000 1.040 97 F HN 0.299 nan 8.300 nan 0.000 0.505 98 N N 0.615 119.432 118.700 0.195 0.000 2.250 98 N HA -0.061 4.680 4.740 0.002 0.000 0.181 98 N C 2.007 177.618 175.510 0.168 0.000 1.017 98 N CA 1.158 54.311 53.050 0.172 0.000 0.866 98 N CB -0.184 38.401 38.487 0.163 0.000 0.985 98 N HN 0.264 nan 8.380 nan 0.000 0.429 99 I N 1.882 122.525 120.570 0.122 0.000 2.208 99 I HA -0.260 3.911 4.170 0.002 0.000 0.245 99 I C 2.646 178.839 176.117 0.126 0.000 1.097 99 I CA 0.913 62.279 61.300 0.110 0.000 1.363 99 I CB -0.385 37.639 38.000 0.041 0.000 1.051 99 I HN 0.090 nan 8.210 nan 0.000 0.413 100 A N 0.719 123.610 122.820 0.119 0.000 1.865 100 A HA -0.266 4.055 4.320 0.002 0.000 0.217 100 A C 2.448 180.100 177.584 0.113 0.000 1.191 100 A CA 1.905 54.012 52.037 0.117 0.000 0.623 100 A CB -0.713 18.370 19.000 0.139 0.000 0.826 100 A HN 0.313 nan 8.150 nan 0.000 0.444 101 R N -0.992 119.581 120.500 0.122 0.000 2.091 101 R HA -0.131 4.210 4.340 0.002 0.000 0.238 101 R C 2.298 178.666 176.300 0.112 0.000 1.136 101 R CA 2.055 58.210 56.100 0.091 0.000 0.959 101 R CB -0.599 29.751 30.300 0.083 0.000 0.856 101 R HN 0.587 nan 8.270 nan 0.000 0.437 102 T N 1.549 116.220 114.554 0.195 0.000 2.607 102 T HA -0.169 4.182 4.350 0.002 0.000 0.267 102 T C 1.818 176.728 174.700 0.351 0.000 1.049 102 T CA 1.525 63.828 62.100 0.340 0.000 1.162 102 T CB -0.160 68.965 68.868 0.429 0.000 0.863 102 T HN 0.126 nan 8.240 nan 0.000 0.424 103 I N 1.295 122.003 120.570 0.230 0.000 2.163 103 I HA -0.147 4.024 4.170 0.002 0.000 0.243 103 I C 2.618 178.760 176.117 0.041 0.000 1.085 103 I CA 1.532 62.936 61.300 0.174 0.000 1.347 103 I CB -1.021 37.060 38.000 0.136 0.000 1.044 103 I HN 0.271 nan 8.210 nan 0.000 0.408 104 R N 0.481 120.994 120.500 0.022 0.000 2.081 104 R HA -0.111 4.230 4.340 0.002 0.000 0.235 104 R C 2.506 178.764 176.300 -0.071 0.000 1.131 104 R CA 1.701 57.773 56.100 -0.046 0.000 0.960 104 R CB -0.360 29.927 30.300 -0.022 0.000 0.856 104 R HN 0.319 nan 8.270 nan 0.000 0.436 105 S N 0.651 116.321 115.700 -0.050 0.000 2.359 105 S HA -0.119 4.352 4.470 0.002 0.000 0.224 105 S C 1.649 176.107 174.600 -0.237 0.000 1.035 105 S CA 1.387 59.486 58.200 -0.169 0.000 1.018 105 S CB -0.270 62.779 63.200 -0.250 0.000 0.876 105 S HN 0.201 nan 8.310 nan 0.000 0.448 106 F N 1.009 120.929 119.950 -0.050 0.000 2.367 106 F HA 0.184 4.712 4.527 0.002 0.000 0.298 106 F C 1.936 177.653 175.800 -0.139 0.000 1.094 106 F CA 0.174 58.159 58.000 -0.024 0.000 1.409 106 F CB -0.434 38.628 39.000 0.103 0.000 1.064 106 F HN 0.131 nan 8.300 nan 0.000 0.528 107 I N 0.027 120.462 120.570 -0.225 0.000 2.142 107 I HA -0.323 3.848 4.170 0.002 0.000 0.240 107 I C 2.564 178.584 176.117 -0.161 0.000 1.078 107 I CA 1.435 62.488 61.300 -0.411 0.000 1.343 107 I CB -0.391 37.272 38.000 -0.563 0.000 1.046 107 I HN -0.003 nan 8.210 nan 0.000 0.405 108 K N 0.909 121.230 120.400 -0.132 0.000 2.152 108 K HA -0.196 4.125 4.320 0.002 0.000 0.206 108 K C 1.941 178.499 176.600 -0.070 0.000 1.048 108 K CA 1.472 57.704 56.287 -0.092 0.000 0.933 108 K CB -0.087 32.353 32.500 -0.098 0.000 0.721 108 K HN 0.353 nan 8.250 nan 0.000 0.447 109 A N -0.110 122.665 122.820 -0.076 0.000 2.209 109 A HA 0.097 4.418 4.320 0.002 0.000 0.212 109 A C 1.322 178.919 177.584 0.022 0.000 1.158 109 A CA 1.126 53.133 52.037 -0.049 0.000 0.742 109 A CB -0.334 18.606 19.000 -0.100 0.000 0.790 109 A HN 0.523 nan 8.150 nan 0.000 0.472 110 G N -1.721 107.104 108.800 0.042 0.000 2.141 110 G HA2 -0.187 3.774 3.960 0.002 0.000 0.242 110 G HA3 -0.187 3.774 3.960 0.002 0.000 0.242 110 G C 0.145 175.127 174.900 0.137 0.000 0.982 110 G CA 0.060 45.205 45.100 0.075 0.000 0.662 110 G HN 0.773 nan 8.290 nan 0.000 0.527 111 V N 0.538 120.572 119.914 0.200 0.000 2.637 111 V HA 0.525 4.647 4.120 0.002 0.000 0.296 111 V C 1.759 178.074 176.094 0.367 0.000 1.046 111 V CA 1.024 63.484 62.300 0.267 0.000 1.066 111 V CB 1.336 33.386 31.823 0.380 0.000 0.968 111 V HN 0.510 nan 8.190 nan 0.000 0.483 112 G N 2.738 111.638 108.800 0.167 0.000 2.545 112 G HA2 0.487 4.448 3.960 0.002 0.000 0.212 112 G HA3 0.487 4.448 3.960 0.002 0.000 0.212 112 G C 0.349 175.061 174.900 -0.313 0.000 1.144 112 G CA 0.800 45.950 45.100 0.084 0.000 0.813 112 G HN 0.989 nan 8.290 nan 0.000 0.531 113 A N -1.297 121.152 122.820 -0.618 0.000 2.569 113 A HA 0.802 5.123 4.320 0.002 0.000 0.290 113 A C -1.789 175.410 177.584 -0.642 0.000 1.136 113 A CA -0.571 50.908 52.037 -0.931 0.000 0.710 113 A CB 2.089 20.255 19.000 -1.389 0.000 1.303 113 A HN 0.720 nan 8.150 nan 0.000 0.413 114 V N 0.805 120.392 119.914 -0.545 0.000 3.000 114 V HA 0.606 4.727 4.120 0.002 0.000 0.300 114 V C -1.880 174.124 176.094 -0.150 0.000 1.251 114 V CA -0.468 61.644 62.300 -0.314 0.000 0.972 114 V CB 2.472 34.171 31.823 -0.206 0.000 1.065 114 V HN 1.512 nan 8.190 nan 0.000 0.431 115 H N 4.406 123.404 119.070 -0.121 0.000 2.529 115 H HA 0.781 5.338 4.556 0.002 0.000 0.348 115 H C -1.598 173.663 175.328 -0.112 0.000 1.079 115 H CA -0.854 55.157 56.048 -0.061 0.000 1.198 115 H CB 1.421 31.233 29.762 0.083 0.000 1.521 115 H HN 0.594 nan 8.280 nan 0.000 0.514 116 L N 3.438 124.692 121.223 0.051 0.000 2.325 116 L HA 0.402 4.743 4.340 0.002 0.000 0.278 116 L C -0.057 176.771 176.870 -0.070 0.000 1.023 116 L CA -0.727 54.075 54.840 -0.064 0.000 0.811 116 L CB 1.514 43.510 42.059 -0.104 0.000 1.249 116 L HN 0.914 nan 8.230 nan 0.000 0.431 117 E N 1.633 121.755 120.200 -0.129 0.000 2.299 117 E HA 0.221 4.572 4.350 0.002 0.000 0.265 117 E C -1.342 175.149 176.600 -0.182 0.000 0.911 117 E CA -0.760 55.538 56.400 -0.171 0.000 0.789 117 E CB 1.965 31.560 29.700 -0.175 0.000 1.246 117 E HN 0.565 nan 8.360 nan 0.000 0.427 118 D N 2.049 122.348 120.400 -0.168 0.000 2.889 118 D HA 0.062 4.703 4.640 0.002 0.000 0.243 118 D C -0.379 175.872 176.300 -0.082 0.000 1.270 118 D CA -0.404 53.521 54.000 -0.126 0.000 0.838 118 D CB 0.166 40.919 40.800 -0.080 0.000 1.040 118 D HN 0.147 nan 8.370 nan 0.000 0.480 119 Q N 0.307 120.045 119.800 -0.103 0.000 2.299 119 Q HA 0.247 4.588 4.340 0.002 0.000 0.246 119 Q C 0.397 176.344 176.000 -0.088 0.000 0.935 119 Q CA -0.829 54.921 55.803 -0.089 0.000 0.887 119 Q CB 1.966 30.643 28.738 -0.102 0.000 1.223 119 Q HN 0.080 nan 8.270 nan 0.000 0.439 120 V N 2.019 121.887 119.914 -0.077 0.000 2.953 120 V HA 0.025 4.146 4.120 0.002 0.000 0.304 120 V C 1.209 177.242 176.094 -0.102 0.000 1.138 120 V CA 1.291 63.540 62.300 -0.085 0.000 1.266 120 V CB 0.241 32.006 31.823 -0.097 0.000 0.923 120 V HN 0.930 nan 8.190 nan 0.000 0.505 121 G N 2.343 111.086 108.800 -0.096 0.000 2.975 121 G HA2 0.174 4.135 3.960 0.002 0.000 0.159 121 G HA3 0.174 4.135 3.960 0.002 0.000 0.159 121 G C 0.020 174.869 174.900 -0.086 0.000 1.525 121 G CA -0.382 44.662 45.100 -0.093 0.000 1.075 121 G HN 0.585 nan 8.290 nan 0.000 0.574 122 Q N 0.433 120.200 119.800 -0.055 0.000 2.310 122 Q HA 0.112 4.453 4.340 0.002 0.000 0.315 122 Q C -0.672 175.288 176.000 -0.067 0.000 1.081 122 Q CA 1.072 56.852 55.803 -0.039 0.000 0.981 122 Q CB 0.609 29.343 28.738 -0.005 0.000 1.184 122 Q HN 0.355 nan 8.270 nan 0.000 0.389 123 K N 2.378 122.730 120.400 -0.080 0.000 2.501 123 K HA 0.194 4.515 4.320 0.002 0.000 0.252 123 K C -1.015 175.574 176.600 -0.019 0.000 0.934 123 K CA -0.693 55.530 56.287 -0.106 0.000 0.797 123 K CB 1.286 33.595 32.500 -0.319 0.000 1.270 123 K HN 0.569 nan 8.250 nan 0.000 0.431 124 R N 3.751 124.267 120.500 0.027 0.000 2.157 124 R HA -0.315 4.026 4.340 0.002 0.000 0.226 124 R C 0.914 177.269 176.300 0.093 0.000 0.809 124 R CA 0.695 56.843 56.100 0.080 0.000 0.700 124 R CB -1.241 29.151 30.300 0.154 0.000 1.926 124 R HN 0.999 nan 8.270 nan 0.000 0.542 125 C N 2.315 121.651 119.300 0.059 0.000 2.180 125 C HA -0.327 4.134 4.460 0.002 0.000 0.233 125 C C 2.501 177.533 174.990 0.069 0.000 1.039 125 C CA 2.246 61.296 59.018 0.053 0.000 1.835 125 C CB -1.436 26.326 27.740 0.038 0.000 1.693 125 C HN 0.959 nan 8.230 nan 0.000 0.375 126 G N 0.636 109.472 108.800 0.059 0.000 2.653 126 G HA2 -0.018 3.943 3.960 0.002 0.000 0.212 126 G HA3 -0.018 3.943 3.960 0.002 0.000 0.212 126 G C 0.644 175.581 174.900 0.062 0.000 1.138 126 G CA 0.602 45.731 45.100 0.048 0.000 0.782 126 G HN 0.950 nan 8.290 nan 0.000 0.535 127 H N 0.481 119.556 119.070 0.008 0.000 3.119 127 H HA 0.043 4.601 4.556 0.002 0.000 0.334 127 H C 0.657 175.989 175.328 0.007 0.000 1.042 127 H CA 0.624 56.676 56.048 0.007 0.000 1.354 127 H CB 0.523 30.288 29.762 0.006 0.000 1.285 127 H HN 0.141 nan 8.280 nan 0.000 0.601 128 R N 2.905 123.365 120.500 -0.067 0.000 2.553 128 R HA 0.303 4.644 4.340 0.002 0.000 0.263 128 R C -2.318 174.104 176.300 0.203 0.000 1.066 128 R CA -1.657 54.464 56.100 0.034 0.000 1.135 128 R CB 0.728 31.002 30.300 -0.043 0.000 1.148 128 R HN 0.481 nan 8.270 nan 0.000 0.558 129 P HA 0.326 nan 4.420 nan 0.000 0.305 129 P C -1.170 176.189 177.300 0.099 0.000 1.387 129 P CA -0.407 62.775 63.100 0.135 0.000 0.903 129 P CB 1.997 33.743 31.700 0.077 0.000 0.979 130 G N 2.301 111.167 108.800 0.111 0.000 3.252 130 G HA2 0.494 4.455 3.960 0.002 0.000 0.181 130 G HA3 0.494 4.455 3.960 0.002 0.000 0.181 130 G C -0.478 174.445 174.900 0.038 0.000 1.187 130 G CA -0.548 44.598 45.100 0.077 0.000 0.886 130 G HN 0.327 nan 8.290 nan 0.000 0.615 131 K N 0.205 120.622 120.400 0.029 0.000 2.619 131 K HA 0.274 4.595 4.320 0.002 0.000 0.201 131 K C 0.149 176.748 176.600 -0.002 0.000 1.090 131 K CA -0.130 56.160 56.287 0.005 0.000 1.063 131 K CB 0.104 32.607 32.500 0.004 0.000 0.810 131 K HN 0.502 nan 8.250 nan 0.000 0.506 132 E N 0.333 120.535 120.200 0.003 0.000 2.437 132 E HA -0.055 4.296 4.350 0.002 0.000 0.263 132 E C -0.254 176.336 176.600 -0.017 0.000 1.030 132 E CA 0.154 56.554 56.400 -0.001 0.000 0.934 132 E CB 0.643 30.343 29.700 -0.000 0.000 0.943 132 E HN 0.224 nan 8.360 nan 0.000 0.444 133 C N 1.607 120.902 119.300 -0.008 0.000 2.380 133 C HA 0.514 4.975 4.460 0.002 0.000 0.393 133 C C 0.050 175.036 174.990 -0.007 0.000 1.284 133 C CA -0.699 58.315 59.018 -0.007 0.000 2.033 133 C CB 0.814 28.562 27.740 0.013 0.000 2.165 133 C HN 0.592 nan 8.230 nan 0.000 0.540 134 V N -0.283 119.631 119.914 0.000 0.000 2.769 134 V HA 0.588 4.709 4.120 0.002 0.000 0.312 134 V C -2.710 173.401 176.094 0.028 0.000 1.058 134 V CA -2.152 60.150 62.300 0.002 0.000 0.952 134 V CB 0.602 32.416 31.823 -0.014 0.000 1.019 134 V HN 0.754 nan 8.190 nan 0.000 0.445 135 P HA 0.221 nan 4.420 nan 0.000 0.267 135 P C 0.851 178.188 177.300 0.063 0.000 1.200 135 P CA 0.413 63.532 63.100 0.032 0.000 0.772 135 P CB 0.734 32.444 31.700 0.018 0.000 0.855 136 A N 3.117 125.981 122.820 0.073 0.000 1.948 136 A HA -0.158 4.163 4.320 0.002 0.000 0.220 136 A C 2.240 179.907 177.584 0.138 0.000 1.177 136 A CA 2.257 54.371 52.037 0.127 0.000 0.636 136 A CB -1.721 17.288 19.000 0.016 0.000 0.815 136 A HN 0.664 nan 8.150 nan 0.000 0.449 137 G N -0.975 107.866 108.800 0.069 0.000 2.484 137 G HA2 -0.073 3.888 3.960 0.002 0.000 0.218 137 G HA3 -0.073 3.888 3.960 0.002 0.000 0.218 137 G C 1.391 176.318 174.900 0.044 0.000 1.130 137 G CA 1.157 46.289 45.100 0.053 0.000 0.784 137 G HN 0.586 nan 8.290 nan 0.000 0.543 138 E N 0.207 120.429 120.200 0.038 0.000 2.112 138 E HA -0.029 4.323 4.350 0.002 0.000 0.190 138 E C 2.259 178.859 176.600 0.000 0.000 0.979 138 E CA 0.827 57.233 56.400 0.010 0.000 0.814 138 E CB -0.273 29.427 29.700 -0.001 0.000 0.762 138 E HN 0.294 nan 8.360 nan 0.000 0.460 139 M N -0.492 119.123 119.600 0.025 0.000 2.254 139 M HA -0.026 4.456 4.480 0.002 0.000 0.265 139 M C 1.675 177.956 176.300 -0.031 0.000 1.066 139 M CA 1.084 56.353 55.300 -0.050 0.000 1.123 139 M CB -0.107 32.414 32.600 -0.132 0.000 1.388 139 M HN 0.067 nan 8.290 nan 0.000 0.425 140 V N 0.756 120.727 119.914 0.096 0.000 2.407 140 V HA -0.284 3.837 4.120 0.002 0.000 0.248 140 V C 1.893 178.008 176.094 0.035 0.000 1.055 140 V CA 2.085 64.449 62.300 0.107 0.000 1.049 140 V CB -1.064 30.837 31.823 0.130 0.000 0.662 140 V HN 0.430 nan 8.190 nan 0.000 0.455 141 D N -0.081 120.327 120.400 0.012 0.000 2.104 141 D HA -0.145 4.496 4.640 0.002 0.000 0.194 141 D C 2.424 178.707 176.300 -0.029 0.000 0.994 141 D CA 1.209 55.201 54.000 -0.012 0.000 0.830 141 D CB -0.284 40.500 40.800 -0.027 0.000 0.959 141 D HN 0.365 nan 8.370 nan 0.000 0.452 142 R N 0.263 120.735 120.500 -0.047 0.000 2.083 142 R HA -0.094 4.247 4.340 0.002 0.000 0.237 142 R C 2.609 178.881 176.300 -0.046 0.000 1.137 142 R CA 0.820 56.883 56.100 -0.061 0.000 0.951 142 R CB -0.691 29.553 30.300 -0.094 0.000 0.851 142 R HN 0.306 nan 8.270 nan 0.000 0.434 143 I N 1.194 121.733 120.570 -0.052 0.000 2.226 143 I HA -0.279 3.892 4.170 0.002 0.000 0.245 143 I C 2.414 178.536 176.117 0.008 0.000 1.100 143 I CA 1.435 62.718 61.300 -0.028 0.000 1.374 143 I CB -0.273 37.710 38.000 -0.028 0.000 1.057 143 I HN 0.162 nan 8.210 nan 0.000 0.413 144 K N 0.857 121.265 120.400 0.012 0.000 2.063 144 K HA -0.202 4.119 4.320 0.002 0.000 0.208 144 K C 2.278 178.891 176.600 0.022 0.000 1.048 144 K CA 1.659 57.959 56.287 0.022 0.000 0.928 144 K CB -0.307 32.203 32.500 0.018 0.000 0.713 144 K HN 0.336 nan 8.250 nan 0.000 0.442 145 A N 1.478 124.302 122.820 0.008 0.000 1.877 145 A HA -0.153 4.168 4.320 0.002 0.000 0.216 145 A C 2.377 179.984 177.584 0.039 0.000 1.186 145 A CA 1.962 54.007 52.037 0.013 0.000 0.620 145 A CB -0.728 18.262 19.000 -0.015 0.000 0.822 145 A HN 0.359 nan 8.150 nan 0.000 0.443 146 A N -0.641 122.202 122.820 0.038 0.000 1.877 146 A HA -0.025 4.296 4.320 0.002 0.000 0.216 146 A C 2.235 179.870 177.584 0.084 0.000 1.186 146 A CA 1.865 53.942 52.037 0.067 0.000 0.620 146 A CB -1.028 18.006 19.000 0.057 0.000 0.822 146 A HN 0.423 nan 8.150 nan 0.000 0.443 147 V N 0.743 120.700 119.914 0.070 0.000 2.407 147 V HA -0.242 3.879 4.120 0.002 0.000 0.248 147 V C 2.338 178.474 176.094 0.071 0.000 1.055 147 V CA 2.513 64.859 62.300 0.077 0.000 1.049 147 V CB -0.762 31.099 31.823 0.063 0.000 0.662 147 V HN 0.801 nan 8.190 nan 0.000 0.455 148 D N 0.406 120.842 120.400 0.059 0.000 2.149 148 D HA -0.076 4.565 4.640 0.002 0.000 0.201 148 D C 2.048 178.382 176.300 0.057 0.000 0.972 148 D CA 1.290 55.322 54.000 0.055 0.000 0.835 148 D CB -0.111 40.719 40.800 0.049 0.000 0.966 148 D HN 0.342 nan 8.370 nan 0.000 0.476 149 A N 0.165 123.023 122.820 0.063 0.000 2.067 149 A HA -0.078 4.243 4.320 0.002 0.000 0.219 149 A C 1.585 179.196 177.584 0.045 0.000 1.158 149 A CA 0.221 52.293 52.037 0.058 0.000 0.661 149 A CB -0.542 18.500 19.000 0.070 0.000 0.801 149 A HN 0.174 nan 8.150 nan 0.000 0.452 150 R N 1.231 121.769 120.500 0.064 0.000 2.458 150 R HA 0.060 4.402 4.340 0.002 0.000 0.303 150 R C 0.949 177.273 176.300 0.040 0.000 1.013 150 R CA 1.003 57.141 56.100 0.064 0.000 1.026 150 R CB 0.374 30.758 30.300 0.141 0.000 0.948 150 R HN 0.457 nan 8.270 nan 0.000 0.417 151 T N -0.646 113.909 114.554 0.002 0.000 3.044 151 T HA 0.018 4.370 4.350 0.002 0.000 0.250 151 T C 0.202 174.914 174.700 0.020 0.000 1.081 151 T CA -0.046 62.056 62.100 0.005 0.000 1.040 151 T CB 0.270 69.126 68.868 -0.019 0.000 0.962 151 T HN 0.488 nan 8.240 nan 0.000 0.506 152 D N 0.493 120.916 120.400 0.039 0.000 2.602 152 D HA 0.231 4.872 4.640 0.002 0.000 0.245 152 D C 0.442 176.816 176.300 0.123 0.000 1.325 152 D CA -0.436 53.604 54.000 0.067 0.000 0.952 152 D CB 1.840 42.672 40.800 0.053 0.000 1.317 152 D HN 0.108 nan 8.370 nan 0.000 0.577 153 E N 0.878 121.141 120.200 0.106 0.000 2.209 153 E HA -0.173 4.178 4.350 0.002 0.000 0.196 153 E C 1.664 178.344 176.600 0.133 0.000 0.993 153 E CA 1.699 58.168 56.400 0.115 0.000 0.819 153 E CB 0.239 29.988 29.700 0.083 0.000 0.745 153 E HN 0.694 nan 8.360 nan 0.000 0.477 154 T N -0.779 113.856 114.554 0.136 0.000 2.881 154 T HA -0.201 4.150 4.350 0.002 0.000 0.270 154 T C 0.663 175.473 174.700 0.184 0.000 1.068 154 T CA 0.190 62.375 62.100 0.142 0.000 1.131 154 T CB -0.402 68.545 68.868 0.132 0.000 0.871 154 T HN 0.047 nan 8.240 nan 0.000 0.479 155 F N 2.753 122.734 119.950 0.052 0.000 2.543 155 F HA 0.414 4.943 4.527 0.002 0.000 0.375 155 F C -0.142 175.677 175.800 0.032 0.000 1.075 155 F CA -1.147 56.876 58.000 0.037 0.000 1.225 155 F CB 0.537 39.558 39.000 0.034 0.000 1.099 155 F HN -0.133 nan 8.300 nan 0.000 0.561 156 V N 8.519 128.095 119.914 -0.563 0.000 2.406 156 V HA 0.222 4.343 4.120 0.002 0.000 0.272 156 V C 0.216 176.013 176.094 -0.495 0.000 1.043 156 V CA -0.528 61.546 62.300 -0.377 0.000 0.915 156 V CB 1.019 32.702 31.823 -0.234 0.000 0.988 156 V HN 0.512 nan 8.190 nan 0.000 0.466 157 I N 6.335 126.786 120.570 -0.199 0.000 2.307 157 I HA 0.430 4.601 4.170 0.002 0.000 0.289 157 I C -0.005 176.086 176.117 -0.044 0.000 1.021 157 I CA 0.115 61.348 61.300 -0.111 0.000 1.224 157 I CB 1.072 39.074 38.000 0.005 0.000 1.376 157 I HN 0.529 nan 8.210 nan 0.000 0.470 158 M N 6.076 125.659 119.600 -0.028 0.000 2.294 158 M HA 0.689 5.170 4.480 0.002 0.000 0.335 158 M C -0.828 175.508 176.300 0.059 0.000 1.079 158 M CA -0.529 54.797 55.300 0.045 0.000 0.982 158 M CB 1.610 34.258 32.600 0.080 0.000 1.651 158 M HN 0.643 nan 8.290 nan 0.000 0.437 159 A N 5.478 128.329 122.820 0.051 0.000 2.274 159 A HA 0.570 4.892 4.320 0.002 0.000 0.309 159 A C -0.627 176.961 177.584 0.006 0.000 1.226 159 A CA -0.673 51.349 52.037 -0.025 0.000 0.853 159 A CB 0.571 19.528 19.000 -0.073 0.000 1.146 159 A HN 0.958 nan 8.150 nan 0.000 0.518 160 R N 1.746 122.184 120.500 -0.104 0.000 2.393 160 R HA 0.587 4.928 4.340 0.002 0.000 0.310 160 R C -1.099 175.080 176.300 -0.201 0.000 0.968 160 R CA -0.061 55.895 56.100 -0.240 0.000 0.867 160 R CB 1.398 31.351 30.300 -0.579 0.000 1.124 160 R HN 0.635 nan 8.270 nan 0.000 0.450 161 T N 1.728 116.200 114.554 -0.137 0.000 2.881 161 T HA 0.152 4.503 4.350 0.002 0.000 0.290 161 T C -0.672 173.981 174.700 -0.078 0.000 1.000 161 T CA -0.613 61.471 62.100 -0.027 0.000 0.978 161 T CB 1.402 70.389 68.868 0.199 0.000 0.997 161 T HN 0.710 nan 8.240 nan 0.000 0.443 162 D N 3.149 123.508 120.400 -0.069 0.000 2.463 162 D HA 0.458 5.099 4.640 0.002 0.000 0.224 162 D C 1.621 177.915 176.300 -0.011 0.000 1.174 162 D CA 0.310 54.275 54.000 -0.059 0.000 0.829 162 D CB 0.082 40.836 40.800 -0.078 0.000 0.993 162 D HN 0.583 nan 8.370 nan 0.000 0.497 163 A N 0.392 123.227 122.820 0.025 0.000 1.902 163 A HA 0.007 4.329 4.320 0.002 0.000 0.217 163 A C 2.378 179.981 177.584 0.031 0.000 1.181 163 A CA 1.587 53.647 52.037 0.037 0.000 0.623 163 A CB -0.846 18.192 19.000 0.064 0.000 0.818 163 A HN 0.336 nan 8.150 nan 0.000 0.443 164 A N 0.173 123.017 122.820 0.041 0.000 1.929 164 A HA -0.101 4.221 4.320 0.002 0.000 0.221 164 A C 2.539 180.131 177.584 0.014 0.000 1.211 164 A CA 2.950 55.008 52.037 0.035 0.000 0.657 164 A CB -1.291 17.724 19.000 0.025 0.000 0.827 164 A HN 1.296 nan 8.150 nan 0.000 0.462 165 A N -1.017 121.805 122.820 0.004 0.000 1.892 165 A HA 0.094 4.415 4.320 0.002 0.000 0.218 165 A C 2.414 180.001 177.584 0.005 0.000 1.188 165 A CA 2.717 54.755 52.037 0.002 0.000 0.631 165 A CB -0.817 18.182 19.000 -0.002 0.000 0.822 165 A HN 1.325 nan 8.150 nan 0.000 0.447 166 A N -1.541 121.283 122.820 0.007 0.000 2.085 166 A HA 0.256 4.577 4.320 0.002 0.000 0.208 166 A C 1.511 179.099 177.584 0.007 0.000 1.191 166 A CA 0.891 52.932 52.037 0.007 0.000 0.799 166 A CB 0.128 19.133 19.000 0.008 0.000 0.877 166 A HN 0.514 nan 8.150 nan 0.000 0.473 167 E N -0.767 119.439 120.200 0.010 0.000 2.562 167 E HA 0.408 4.759 4.350 0.002 0.000 0.214 167 E C 0.484 177.087 176.600 0.006 0.000 0.979 167 E CA 0.142 56.547 56.400 0.007 0.000 1.002 167 E CB 0.745 30.450 29.700 0.008 0.000 1.048 167 E HN 0.639 nan 8.360 nan 0.000 0.488 168 G N 1.900 110.705 108.800 0.009 0.000 2.731 168 G HA2 -0.272 3.689 3.960 0.002 0.000 0.686 168 G HA3 -0.272 3.689 3.960 0.002 0.000 0.686 168 G C 0.477 175.389 174.900 0.019 0.000 1.395 168 G CA -0.146 44.960 45.100 0.009 0.000 0.870 168 G HN 0.323 nan 8.290 nan 0.000 0.591 169 I N -1.080 119.505 120.570 0.025 0.000 2.454 169 I HA -0.049 4.122 4.170 0.002 0.000 0.254 169 I C 1.709 177.842 176.117 0.026 0.000 1.156 169 I CA 2.500 63.834 61.300 0.057 0.000 1.433 169 I CB -0.097 37.940 38.000 0.061 0.000 1.082 169 I HN 0.466 nan 8.210 nan 0.000 0.432 170 D N 1.558 121.949 120.400 -0.015 0.000 2.123 170 D HA -0.055 4.586 4.640 0.002 0.000 0.200 170 D C 2.405 178.666 176.300 -0.066 0.000 0.976 170 D CA 1.645 55.611 54.000 -0.057 0.000 0.831 170 D CB -0.274 40.496 40.800 -0.050 0.000 0.974 170 D HN 0.525 nan 8.370 nan 0.000 0.469 171 A N 1.075 123.873 122.820 -0.036 0.000 1.917 171 A HA -0.158 4.163 4.320 0.002 0.000 0.219 171 A C 2.301 179.861 177.584 -0.040 0.000 1.182 171 A CA 2.537 54.551 52.037 -0.038 0.000 0.633 171 A CB -0.887 18.104 19.000 -0.016 0.000 0.819 171 A HN 0.244 nan 8.150 nan 0.000 0.448 172 A N -0.386 122.441 122.820 0.013 0.000 1.902 172 A HA -0.097 4.224 4.320 0.002 0.000 0.217 172 A C 2.138 179.726 177.584 0.006 0.000 1.181 172 A CA 1.600 53.693 52.037 0.093 0.000 0.623 172 A CB -0.599 18.543 19.000 0.236 0.000 0.818 172 A HN 0.494 nan 8.150 nan 0.000 0.443 173 I N -0.756 119.694 120.570 -0.200 0.000 2.226 173 I HA -0.244 3.928 4.170 0.002 0.000 0.245 173 I C 2.588 178.497 176.117 -0.346 0.000 1.100 173 I CA 1.679 62.641 61.300 -0.562 0.000 1.374 173 I CB -0.171 37.481 38.000 -0.579 0.000 1.057 173 I HN 0.473 nan 8.210 nan 0.000 0.413 174 E N 0.644 120.706 120.200 -0.231 0.000 2.072 174 E HA -0.209 4.142 4.350 0.002 0.000 0.191 174 E C 2.371 178.815 176.600 -0.259 0.000 0.985 174 E CA 0.865 57.144 56.400 -0.202 0.000 0.801 174 E CB 0.121 29.736 29.700 -0.142 0.000 0.750 174 E HN 0.371 nan 8.360 nan 0.000 0.452 175 R N 0.189 120.512 120.500 -0.296 0.000 2.080 175 R HA -0.164 4.177 4.340 0.002 0.000 0.236 175 R C 2.432 178.144 176.300 -0.979 0.000 1.137 175 R CA 1.393 57.144 56.100 -0.582 0.000 0.943 175 R CB -0.425 29.626 30.300 -0.414 0.000 0.846 175 R HN 0.127 nan 8.270 nan 0.000 0.431 176 A N 1.083 123.607 122.820 -0.493 0.000 1.917 176 A HA -0.205 4.117 4.320 0.002 0.000 0.219 176 A C 2.155 179.647 177.584 -0.153 0.000 1.182 176 A CA 1.648 53.576 52.037 -0.180 0.000 0.633 176 A CB -0.616 18.437 19.000 0.089 0.000 0.819 176 A HN 0.246 nan 8.150 nan 0.000 0.448 177 I N -0.332 120.115 120.570 -0.205 0.000 2.315 177 I HA -0.215 3.956 4.170 0.002 0.000 0.248 177 I C 2.835 178.890 176.117 -0.103 0.000 1.117 177 I CA 1.019 62.244 61.300 -0.125 0.000 1.404 177 I CB -0.263 37.659 38.000 -0.130 0.000 1.071 177 I HN 0.316 nan 8.210 nan 0.000 0.419 178 A N 0.090 122.792 122.820 -0.196 0.000 1.969 178 A HA -0.176 4.145 4.320 0.002 0.000 0.218 178 A C 2.092 179.695 177.584 0.032 0.000 1.169 178 A CA 1.375 53.339 52.037 -0.122 0.000 0.635 178 A CB -0.703 18.186 19.000 -0.185 0.000 0.810 178 A HN 0.378 nan 8.150 nan 0.000 0.445 179 Y N -0.332 119.978 120.300 0.017 0.000 2.220 179 Y HA -0.069 4.482 4.550 0.002 0.000 0.291 179 Y C 2.589 178.507 175.900 0.030 0.000 1.129 179 Y CA 0.473 58.588 58.100 0.026 0.000 1.161 179 Y CB -1.145 37.338 38.460 0.039 0.000 0.997 179 Y HN 0.084 nan 8.280 nan 0.000 0.522 180 V N 0.118 120.141 119.914 0.182 0.000 2.407 180 V HA -0.221 3.900 4.120 0.002 0.000 0.248 180 V C 2.330 178.472 176.094 0.080 0.000 1.055 180 V CA 1.744 64.110 62.300 0.111 0.000 1.049 180 V CB -0.432 31.437 31.823 0.076 0.000 0.662 180 V HN 0.293 nan 8.190 nan 0.000 0.455 181 E N 0.708 120.946 120.200 0.063 0.000 2.070 181 E HA -0.238 4.113 4.350 0.002 0.000 0.197 181 E C 2.288 178.924 176.600 0.060 0.000 1.004 181 E CA 1.792 58.220 56.400 0.046 0.000 0.805 181 E CB -0.484 29.233 29.700 0.028 0.000 0.744 181 E HN 0.588 nan 8.360 nan 0.000 0.451 182 A N -0.611 122.261 122.820 0.088 0.000 2.209 182 A HA 0.166 4.487 4.320 0.002 0.000 0.212 182 A C 1.678 179.304 177.584 0.070 0.000 1.158 182 A CA 1.512 53.597 52.037 0.081 0.000 0.742 182 A CB -0.048 19.015 19.000 0.104 0.000 0.790 182 A HN 0.355 nan 8.150 nan 0.000 0.472 183 G N -2.694 106.150 108.800 0.074 0.000 2.227 183 G HA2 0.213 4.174 3.960 0.002 0.000 0.168 183 G HA3 0.213 4.174 3.960 0.002 0.000 0.168 183 G C 0.368 175.308 174.900 0.067 0.000 1.006 183 G CA -0.017 45.122 45.100 0.065 0.000 0.684 183 G HN 1.440 nan 8.290 nan 0.000 0.489 184 A N 0.578 123.445 122.820 0.078 0.000 2.511 184 A HA 0.489 4.810 4.320 0.002 0.000 0.242 184 A C 1.157 178.786 177.584 0.076 0.000 1.069 184 A CA 1.030 53.110 52.037 0.073 0.000 0.763 184 A CB 0.249 19.303 19.000 0.090 0.000 1.001 184 A HN 0.236 nan 8.150 nan 0.000 0.498 185 D N 1.293 121.729 120.400 0.060 0.000 2.240 185 D HA 0.101 4.743 4.640 0.002 0.000 0.206 185 D C 0.370 176.714 176.300 0.074 0.000 0.963 185 D CA 1.294 55.330 54.000 0.061 0.000 0.863 185 D CB 0.141 40.969 40.800 0.045 0.000 0.973 185 D HN 0.652 nan 8.370 nan 0.000 0.501 186 M N 0.213 119.862 119.600 0.082 0.000 2.569 186 M HA 0.358 4.839 4.480 0.002 0.000 0.279 186 M C -1.477 174.894 176.300 0.119 0.000 1.253 186 M CA -0.718 54.639 55.300 0.096 0.000 0.867 186 M CB 3.373 36.029 32.600 0.094 0.000 1.727 186 M HN -0.336 nan 8.290 nan 0.000 0.467 187 I N 1.422 122.072 120.570 0.134 0.000 2.608 187 I HA 0.434 4.606 4.170 0.002 0.000 0.295 187 I C -1.448 174.761 176.117 0.153 0.000 1.049 187 I CA -0.328 61.080 61.300 0.179 0.000 1.063 187 I CB 1.938 40.101 38.000 0.270 0.000 1.248 187 I HN 0.714 nan 8.210 nan 0.000 0.424 188 F N 8.116 128.037 119.950 -0.050 0.000 2.443 188 F HA 0.450 4.978 4.527 0.002 0.000 0.369 188 F C -2.344 173.360 175.800 -0.160 0.000 1.090 188 F CA -2.111 55.808 58.000 -0.136 0.000 1.129 188 F CB 1.647 40.511 39.000 -0.226 0.000 1.367 188 F HN 0.191 nan 8.300 nan 0.000 0.465 189 P HA 0.111 nan 4.420 nan 0.000 0.291 189 P C -0.694 176.630 177.300 0.041 0.000 1.340 189 P CA -0.033 62.979 63.100 -0.147 0.000 0.799 189 P CB 1.235 32.441 31.700 -0.823 0.000 0.917 190 E N 2.812 122.997 120.200 -0.025 0.000 2.383 190 E HA 0.259 4.610 4.350 0.002 0.000 0.264 190 E C 0.408 177.005 176.600 -0.005 0.000 1.050 190 E CA 0.052 56.454 56.400 0.004 0.000 0.896 190 E CB 0.593 30.212 29.700 -0.135 0.000 0.982 190 E HN 0.588 nan 8.360 nan 0.000 0.424 191 A N 3.971 126.818 122.820 0.044 0.000 2.136 191 A HA -0.188 4.133 4.320 0.002 0.000 0.274 191 A C -0.006 177.557 177.584 -0.034 0.000 1.388 191 A CA 0.698 52.747 52.037 0.020 0.000 0.741 191 A CB -1.167 17.837 19.000 0.006 0.000 1.173 191 A HN 0.352 nan 8.150 nan 0.000 0.329 192 M N 0.736 120.295 119.600 -0.068 0.000 2.363 192 M HA 0.329 4.811 4.480 0.002 0.000 0.343 192 M C 1.150 177.440 176.300 -0.016 0.000 1.165 192 M CA -0.230 54.944 55.300 -0.210 0.000 1.046 192 M CB 1.398 33.526 32.600 -0.787 0.000 1.648 192 M HN 0.503 nan 8.290 nan 0.000 0.452 193 K N 0.442 120.838 120.400 -0.006 0.000 2.242 193 K HA 0.057 4.378 4.320 0.002 0.000 0.200 193 K C 0.749 177.470 176.600 0.202 0.000 1.050 193 K CA 0.666 57.006 56.287 0.089 0.000 0.981 193 K CB 0.380 32.904 32.500 0.040 0.000 0.795 193 K HN 0.859 nan 8.250 nan 0.000 0.477 194 T N -2.313 112.305 114.554 0.107 0.000 2.924 194 T HA 0.265 4.616 4.350 0.002 0.000 0.291 194 T C 0.750 175.424 174.700 -0.043 0.000 1.045 194 T CA -0.824 61.331 62.100 0.092 0.000 1.015 194 T CB 1.543 70.428 68.868 0.028 0.000 1.103 194 T HN -0.183 nan 8.240 nan 0.000 0.496 195 L N 1.120 122.241 121.223 -0.170 0.000 2.189 195 L HA -0.041 4.300 4.340 0.002 0.000 0.214 195 L C 2.376 179.211 176.870 -0.058 0.000 1.097 195 L CA 1.729 56.436 54.840 -0.223 0.000 0.764 195 L CB -0.691 41.220 42.059 -0.247 0.000 0.900 195 L HN 0.853 nan 8.230 nan 0.000 0.436 196 D N -0.847 119.527 120.400 -0.043 0.000 2.149 196 D HA -0.172 4.469 4.640 0.002 0.000 0.201 196 D C 1.577 177.869 176.300 -0.012 0.000 0.972 196 D CA 0.834 54.823 54.000 -0.018 0.000 0.835 196 D CB 0.181 40.973 40.800 -0.014 0.000 0.966 196 D HN 0.286 nan 8.370 nan 0.000 0.476 197 D N -0.267 120.096 120.400 -0.061 0.000 2.133 197 D HA -0.206 4.435 4.640 0.002 0.000 0.192 197 D C 1.992 178.248 176.300 -0.074 0.000 1.001 197 D CA 1.026 54.966 54.000 -0.100 0.000 0.844 197 D CB -0.597 40.070 40.800 -0.222 0.000 0.944 197 D HN 0.362 nan 8.370 nan 0.000 0.447 198 Y N 0.524 120.817 120.300 -0.011 0.000 2.145 198 Y HA -0.162 4.390 4.550 0.002 0.000 0.286 198 Y C 2.597 178.517 175.900 0.034 0.000 1.145 198 Y CA 1.173 59.262 58.100 -0.017 0.000 1.148 198 Y CB -0.528 37.863 38.460 -0.115 0.000 0.981 198 Y HN -0.127 nan 8.280 nan 0.000 0.507 199 R N 0.713 121.299 120.500 0.144 0.000 2.096 199 R HA -0.150 4.191 4.340 0.002 0.000 0.240 199 R C 2.264 178.613 176.300 0.083 0.000 1.139 199 R CA 1.716 57.864 56.100 0.081 0.000 0.952 199 R CB -0.234 30.085 30.300 0.032 0.000 0.854 199 R HN 0.204 nan 8.270 nan 0.000 0.436 200 R N -1.181 119.366 120.500 0.077 0.000 2.075 200 R HA -0.121 4.220 4.340 0.002 0.000 0.232 200 R C 2.341 178.678 176.300 0.062 0.000 1.126 200 R CA 1.617 57.744 56.100 0.046 0.000 0.963 200 R CB -0.551 29.762 30.300 0.021 0.000 0.858 200 R HN 0.252 nan 8.270 nan 0.000 0.435 201 F N 2.002 121.949 119.950 -0.005 0.000 2.095 201 F HA -0.248 4.280 4.527 0.002 0.000 0.298 201 F C 2.619 178.433 175.800 0.022 0.000 1.104 201 F CA 1.512 59.516 58.000 0.007 0.000 1.232 201 F CB 0.019 39.029 39.000 0.017 0.000 0.987 201 F HN -0.181 nan 8.300 nan 0.000 0.475 202 K N 0.870 121.431 120.400 0.268 0.000 2.057 202 K HA -0.227 4.094 4.320 0.002 0.000 0.207 202 K C 2.005 178.651 176.600 0.076 0.000 1.049 202 K CA 1.712 58.096 56.287 0.163 0.000 0.931 202 K CB -0.534 32.034 32.500 0.113 0.000 0.714 202 K HN 0.407 nan 8.250 nan 0.000 0.440 203 E N -0.680 119.548 120.200 0.046 0.000 2.106 203 E HA -0.102 4.249 4.350 0.002 0.000 0.192 203 E C 1.686 178.273 176.600 -0.021 0.000 0.984 203 E CA 0.910 57.315 56.400 0.008 0.000 0.806 203 E CB 0.005 29.706 29.700 0.001 0.000 0.750 203 E HN 0.326 nan 8.360 nan 0.000 0.458 204 A N 0.456 123.241 122.820 -0.058 0.000 1.872 204 A HA -0.106 4.215 4.320 0.002 0.000 0.214 204 A C 2.299 179.824 177.584 -0.098 0.000 1.187 204 A CA 1.500 53.469 52.037 -0.112 0.000 0.614 204 A CB -0.514 18.357 19.000 -0.215 0.000 0.826 204 A HN 0.308 nan 8.150 nan 0.000 0.442 205 V N -3.207 116.663 119.914 -0.073 0.000 3.354 205 V HA 0.104 4.225 4.120 0.002 0.000 0.258 205 V C 0.866 176.974 176.094 0.023 0.000 1.159 205 V CA 1.261 63.547 62.300 -0.024 0.000 1.125 205 V CB -0.659 31.181 31.823 0.028 0.000 0.774 205 V HN 0.612 nan 8.190 nan 0.000 0.464 206 K N -0.179 120.238 120.400 0.029 0.000 3.363 206 K HA -0.187 4.134 4.320 0.002 0.000 0.313 206 K C 0.406 177.029 176.600 0.039 0.000 1.259 206 K CA 1.107 57.410 56.287 0.027 0.000 0.942 206 K CB -2.894 29.613 32.500 0.010 0.000 1.229 206 K HN 0.936 nan 8.250 nan 0.000 0.440 207 V N -3.008 116.942 119.914 0.060 0.000 3.096 207 V HA 0.612 4.733 4.120 0.002 0.000 0.319 207 V C -2.465 173.668 176.094 0.066 0.000 1.103 207 V CA -2.661 59.676 62.300 0.062 0.000 1.016 207 V CB 1.423 33.289 31.823 0.072 0.000 1.090 207 V HN -0.228 nan 8.190 nan 0.000 0.449 208 P HA 0.233 nan 4.420 nan 0.000 0.265 208 P C -0.793 176.534 177.300 0.045 0.000 1.187 208 P CA 0.440 63.560 63.100 0.034 0.000 0.766 208 P CB 0.135 31.849 31.700 0.024 0.000 0.820 209 I N 2.963 123.543 120.570 0.015 0.000 2.646 209 I HA 0.431 4.602 4.170 0.002 0.000 0.299 209 I C -0.033 176.027 176.117 -0.096 0.000 1.036 209 I CA -0.804 60.499 61.300 0.005 0.000 1.074 209 I CB 1.769 39.798 38.000 0.047 0.000 1.258 209 I HN 0.278 nan 8.210 nan 0.000 0.430 210 L N 4.274 125.405 121.223 -0.154 0.000 2.329 210 L HA 0.808 5.149 4.340 0.002 0.000 0.279 210 L C -0.341 176.293 176.870 -0.392 0.000 1.014 210 L CA -0.428 54.216 54.840 -0.328 0.000 0.814 210 L CB 1.696 43.470 42.059 -0.474 0.000 1.257 210 L HN 0.768 nan 8.230 nan 0.000 0.424 211 A N 3.286 125.831 122.820 -0.458 0.000 2.258 211 A HA 0.374 4.695 4.320 0.002 0.000 0.316 211 A C -0.697 176.637 177.584 -0.416 0.000 1.279 211 A CA -0.598 51.174 52.037 -0.442 0.000 0.876 211 A CB 0.455 19.075 19.000 -0.634 0.000 1.170 211 A HN 0.719 nan 8.150 nan 0.000 0.520 212 N N 2.887 121.414 118.700 -0.288 0.000 2.482 212 N HA 0.254 4.995 4.740 0.002 0.000 0.242 212 N C -0.895 174.521 175.510 -0.156 0.000 1.100 212 N CA -0.120 52.771 53.050 -0.265 0.000 0.946 212 N CB -0.209 38.252 38.487 -0.043 0.000 1.227 212 N HN 0.552 nan 8.380 nan 0.000 0.508 213 L N 2.610 123.671 121.223 -0.269 0.000 2.404 213 L HA 0.186 4.528 4.340 0.002 0.000 0.277 213 L C 0.897 177.696 176.870 -0.118 0.000 1.184 213 L CA -0.167 54.550 54.840 -0.206 0.000 1.013 213 L CB 0.028 41.899 42.059 -0.314 0.000 1.318 213 L HN 0.402 nan 8.230 nan 0.000 0.435 214 T N 2.302 116.815 114.554 -0.068 0.000 2.824 214 T HA 0.307 4.658 4.350 0.002 0.000 0.280 214 T C -0.064 174.615 174.700 -0.035 0.000 0.995 214 T CA -0.868 61.221 62.100 -0.017 0.000 1.009 214 T CB 0.736 69.624 68.868 0.032 0.000 0.955 214 T HN 0.543 nan 8.240 nan 0.000 0.452 215 E N 3.770 123.960 120.200 -0.017 0.000 2.349 215 E HA 0.194 4.546 4.350 0.002 0.000 0.265 215 E C -0.148 176.482 176.600 0.050 0.000 1.064 215 E CA -0.607 55.718 56.400 -0.124 0.000 0.886 215 E CB 0.288 29.857 29.700 -0.219 0.000 1.036 215 E HN 0.815 nan 8.360 nan 0.000 0.413 216 F N -0.740 119.193 119.950 -0.029 0.000 3.006 216 F HA -0.225 4.303 4.527 0.002 0.000 0.289 216 F C 0.969 176.761 175.800 -0.014 0.000 0.772 216 F CA 1.054 59.042 58.000 -0.019 0.000 1.162 216 F CB -1.721 37.273 39.000 -0.010 0.000 1.382 216 F HN 0.696 nan 8.300 nan 0.000 0.406 217 G N -0.538 108.309 108.800 0.079 0.000 2.641 217 G HA2 0.498 4.460 3.960 0.002 0.000 0.239 217 G HA3 0.498 4.460 3.960 0.002 0.000 0.239 217 G C 0.832 175.740 174.900 0.013 0.000 1.402 217 G CA 0.237 45.368 45.100 0.053 0.000 1.046 217 G HN 0.138 nan 8.290 nan 0.000 0.565 218 S N -0.704 114.999 115.700 0.005 0.000 2.387 218 S HA 0.062 4.534 4.470 0.002 0.000 0.221 218 S C 1.252 175.828 174.600 -0.041 0.000 1.041 218 S CA 0.507 58.702 58.200 -0.009 0.000 0.959 218 S CB -0.281 62.922 63.200 0.005 0.000 0.843 218 S HN 0.537 nan 8.310 nan 0.000 0.488 219 T N 4.983 119.512 114.554 -0.041 0.000 2.849 219 T HA 0.129 4.480 4.350 0.002 0.000 0.289 219 T C -2.365 172.183 174.700 -0.254 0.000 1.010 219 T CA -0.461 61.583 62.100 -0.094 0.000 1.161 219 T CB 0.099 68.956 68.868 -0.020 0.000 0.989 219 T HN 0.134 nan 8.240 nan 0.000 0.523 220 P HA 0.170 nan 4.420 nan 0.000 0.272 220 P C -0.311 176.530 177.300 -0.764 0.000 1.230 220 P CA -0.446 62.302 63.100 -0.586 0.000 0.788 220 P CB 0.392 31.683 31.700 -0.681 0.000 0.949 221 L N 2.400 123.347 121.223 -0.460 0.000 2.395 221 L HA 0.247 4.588 4.340 0.002 0.000 0.268 221 L C 0.153 176.887 176.870 -0.226 0.000 1.223 221 L CA -0.298 54.357 54.840 -0.308 0.000 1.093 221 L CB -1.237 40.724 42.059 -0.163 0.000 1.349 221 L HN 0.278 nan 8.230 nan 0.000 0.427 222 F N 0.365 120.301 119.950 -0.024 0.000 2.553 222 F HA 0.090 4.618 4.527 0.002 0.000 0.356 222 F C 1.603 177.392 175.800 -0.018 0.000 1.142 222 F CA -0.417 57.567 58.000 -0.026 0.000 1.322 222 F CB 0.470 39.441 39.000 -0.047 0.000 1.126 222 F HN 0.365 nan 8.300 nan 0.000 0.599 223 T N 0.655 115.326 114.554 0.196 0.000 2.882 223 T HA 0.237 4.588 4.350 0.002 0.000 0.287 223 T C 1.159 175.907 174.700 0.080 0.000 1.014 223 T CA -0.881 61.287 62.100 0.112 0.000 1.049 223 T CB 1.052 69.965 68.868 0.076 0.000 1.001 223 T HN 0.668 nan 8.240 nan 0.000 0.525 224 L N 0.420 121.685 121.223 0.071 0.000 2.051 224 L HA -0.163 4.178 4.340 0.002 0.000 0.214 224 L C 2.449 179.321 176.870 0.003 0.000 1.076 224 L CA 1.837 56.702 54.840 0.040 0.000 0.758 224 L CB -0.465 41.624 42.059 0.050 0.000 0.890 224 L HN 0.782 nan 8.230 nan 0.000 0.433 225 D N -0.536 119.869 120.400 0.008 0.000 2.097 225 D HA -0.167 4.474 4.640 0.002 0.000 0.197 225 D C 2.107 178.394 176.300 -0.023 0.000 0.984 225 D CA 0.938 54.934 54.000 -0.007 0.000 0.826 225 D CB 0.016 40.816 40.800 -0.000 0.000 0.973 225 D HN 0.332 nan 8.370 nan 0.000 0.460 226 E N 0.285 120.479 120.200 -0.011 0.000 2.086 226 E HA -0.218 4.133 4.350 0.002 0.000 0.205 226 E C 2.426 178.957 176.600 -0.114 0.000 1.027 226 E CA 0.815 57.187 56.400 -0.046 0.000 0.830 226 E CB -0.351 29.350 29.700 0.001 0.000 0.751 226 E HN 0.335 nan 8.360 nan 0.000 0.456 227 L N 0.810 121.963 121.223 -0.117 0.000 2.056 227 L HA -0.168 4.174 4.340 0.002 0.000 0.207 227 L C 2.757 179.547 176.870 -0.134 0.000 1.078 227 L CA 1.132 55.864 54.840 -0.181 0.000 0.749 227 L CB -0.352 41.599 42.059 -0.179 0.000 0.901 227 L HN 0.094 nan 8.230 nan 0.000 0.433 228 K N 0.309 120.658 120.400 -0.086 0.000 2.057 228 K HA -0.166 4.155 4.320 0.002 0.000 0.207 228 K C 1.971 178.535 176.600 -0.060 0.000 1.049 228 K CA 1.506 57.754 56.287 -0.066 0.000 0.931 228 K CB -0.285 32.189 32.500 -0.044 0.000 0.714 228 K HN 0.348 nan 8.250 nan 0.000 0.440 229 G N 0.037 108.802 108.800 -0.060 0.000 2.443 229 G HA2 -0.169 3.793 3.960 0.002 0.000 0.219 229 G HA3 -0.169 3.793 3.960 0.002 0.000 0.219 229 G C 1.345 176.212 174.900 -0.055 0.000 1.131 229 G CA 0.698 45.768 45.100 -0.050 0.000 0.775 229 G HN 0.411 nan 8.290 nan 0.000 0.547 230 A N -0.188 122.584 122.820 -0.081 0.000 2.251 230 A HA 0.301 4.622 4.320 0.002 0.000 0.209 230 A C 1.178 178.737 177.584 -0.042 0.000 1.187 230 A CA 0.782 52.778 52.037 -0.069 0.000 0.823 230 A CB -0.436 18.496 19.000 -0.114 0.000 0.846 230 A HN 0.399 nan 8.150 nan 0.000 0.486 231 N N -2.261 116.409 118.700 -0.051 0.000 2.850 231 N HA -0.140 4.601 4.740 0.002 0.000 0.249 231 N C -0.355 175.125 175.510 -0.049 0.000 1.060 231 N CA 0.634 53.662 53.050 -0.037 0.000 0.825 231 N CB -1.408 37.074 38.487 -0.009 0.000 1.132 231 N HN 0.224 nan 8.380 nan 0.000 0.564 232 V N 0.628 120.481 119.914 -0.102 0.000 2.637 232 V HA -0.016 4.106 4.120 0.002 0.000 0.296 232 V C 1.066 177.084 176.094 -0.126 0.000 1.046 232 V CA 0.767 62.977 62.300 -0.150 0.000 1.066 232 V CB 1.314 32.956 31.823 -0.302 0.000 0.968 232 V HN 0.211 nan 8.190 nan 0.000 0.483 233 D N 3.454 123.785 120.400 -0.115 0.000 2.301 233 D HA 0.259 4.901 4.640 0.002 0.000 0.206 233 D C 0.035 176.257 176.300 -0.130 0.000 0.979 233 D CA 0.682 54.622 54.000 -0.100 0.000 0.874 233 D CB 0.412 41.170 40.800 -0.071 0.000 0.968 233 D HN 0.435 nan 8.370 nan 0.000 0.510 234 I N 0.682 121.151 120.570 -0.169 0.000 2.534 234 I HA 0.451 4.622 4.170 0.002 0.000 0.288 234 I C -1.171 174.787 176.117 -0.265 0.000 1.077 234 I CA -1.047 60.138 61.300 -0.192 0.000 1.051 234 I CB 2.196 40.087 38.000 -0.180 0.000 1.234 234 I HN -0.154 nan 8.210 nan 0.000 0.425 235 A N 6.832 129.504 122.820 -0.247 0.000 2.260 235 A HA 0.725 5.046 4.320 0.002 0.000 0.314 235 A C -1.106 176.166 177.584 -0.519 0.000 1.257 235 A CA -0.388 51.419 52.037 -0.382 0.000 0.871 235 A CB 0.871 19.703 19.000 -0.280 0.000 1.166 235 A HN 0.584 nan 8.150 nan 0.000 0.522 236 L N 3.620 124.448 121.223 -0.658 0.000 2.294 236 L HA 0.551 4.892 4.340 0.002 0.000 0.283 236 L C -1.531 174.932 176.870 -0.678 0.000 1.015 236 L CA -0.259 54.217 54.840 -0.607 0.000 0.831 236 L CB 0.470 42.157 42.059 -0.620 0.000 1.217 236 L HN 0.588 nan 8.230 nan 0.000 0.420 237 Y N 4.312 124.497 120.300 -0.191 0.000 2.804 237 Y HA 0.211 4.762 4.550 0.002 0.000 0.330 237 Y C 1.503 177.342 175.900 -0.102 0.000 1.092 237 Y CA -0.758 57.260 58.100 -0.136 0.000 1.315 237 Y CB 0.329 38.717 38.460 -0.120 0.000 1.188 237 Y HN 0.774 nan 8.280 nan 0.000 0.512 238 C N -2.415 116.884 119.300 -0.002 0.000 2.464 238 C HA 0.026 4.487 4.460 0.002 0.000 0.278 238 C C 1.518 176.648 174.990 0.234 0.000 1.375 238 C CA 0.366 59.465 59.018 0.134 0.000 1.761 238 C CB -1.014 26.794 27.740 0.113 0.000 1.944 238 C HN 0.844 nan 8.230 nan 0.000 0.509 239 C N 0.296 119.638 119.300 0.071 0.000 3.919 239 C HA 0.400 4.861 4.460 0.002 0.000 0.422 239 C C 2.851 177.648 174.990 -0.321 0.000 1.533 239 C CA 0.144 59.065 59.018 -0.161 0.000 2.014 239 C CB -0.934 26.676 27.740 -0.216 0.000 2.967 239 C HN 0.684 nan 8.230 nan 0.000 0.692 240 G N 2.028 110.766 108.800 -0.104 0.000 2.553 240 G HA2 -0.217 3.744 3.960 0.002 0.000 0.218 240 G HA3 -0.217 3.744 3.960 0.002 0.000 0.218 240 G C 1.869 176.715 174.900 -0.091 0.000 1.195 240 G CA 1.746 46.799 45.100 -0.079 0.000 0.779 240 G HN 0.613 nan 8.290 nan 0.000 0.577 241 A N 0.811 123.607 122.820 -0.041 0.000 1.881 241 A HA -0.203 4.118 4.320 0.002 0.000 0.219 241 A C 2.327 179.942 177.584 0.051 0.000 1.215 241 A CA 2.475 54.517 52.037 0.008 0.000 0.648 241 A CB -1.111 17.913 19.000 0.039 0.000 0.832 241 A HN 1.013 nan 8.150 nan 0.000 0.455 242 Y N -1.356 118.976 120.300 0.053 0.000 2.373 242 Y HA 0.026 4.578 4.550 0.002 0.000 0.293 242 Y C 2.271 178.202 175.900 0.051 0.000 1.129 242 Y CA 1.049 59.178 58.100 0.050 0.000 1.226 242 Y CB -0.312 38.180 38.460 0.053 0.000 1.000 242 Y HN 0.148 nan 8.280 nan 0.000 0.549 243 R N 0.986 121.370 120.500 -0.194 0.000 2.081 243 R HA -0.102 4.239 4.340 0.002 0.000 0.235 243 R C 2.651 178.969 176.300 0.030 0.000 1.131 243 R CA 1.233 57.294 56.100 -0.065 0.000 0.960 243 R CB -0.562 29.663 30.300 -0.125 0.000 0.856 243 R HN 0.548 nan 8.270 nan 0.000 0.436 244 A N 2.048 124.880 122.820 0.019 0.000 1.877 244 A HA -0.204 4.117 4.320 0.002 0.000 0.216 244 A C 2.293 179.905 177.584 0.046 0.000 1.186 244 A CA 1.831 53.889 52.037 0.034 0.000 0.620 244 A CB -0.559 18.453 19.000 0.020 0.000 0.822 244 A HN 0.377 nan 8.150 nan 0.000 0.443 245 M N -0.941 118.697 119.600 0.064 0.000 2.175 245 M HA -0.118 4.363 4.480 0.002 0.000 0.264 245 M C 1.530 177.867 176.300 0.062 0.000 1.063 245 M CA 2.309 57.645 55.300 0.061 0.000 1.119 245 M CB -1.128 31.514 32.600 0.071 0.000 1.377 245 M HN 0.393 nan 8.290 nan 0.000 0.415 246 N N 1.292 120.054 118.700 0.103 0.000 2.166 246 N HA -0.155 4.586 4.740 0.002 0.000 0.186 246 N C 1.864 177.416 175.510 0.070 0.000 1.019 246 N CA 1.600 54.710 53.050 0.100 0.000 0.856 246 N CB -0.163 38.414 38.487 0.150 0.000 0.993 246 N HN 0.462 nan 8.380 nan 0.000 0.426 247 K N 1.302 121.737 120.400 0.059 0.000 2.002 247 K HA -0.071 4.250 4.320 0.002 0.000 0.209 247 K C 2.079 178.700 176.600 0.036 0.000 1.048 247 K CA 1.315 57.630 56.287 0.047 0.000 0.930 247 K CB -0.175 32.352 32.500 0.045 0.000 0.714 247 K HN 0.103 nan 8.250 nan 0.000 0.438 248 A N 1.014 123.849 122.820 0.026 0.000 1.917 248 A HA -0.189 4.132 4.320 0.002 0.000 0.219 248 A C 2.372 179.943 177.584 -0.021 0.000 1.182 248 A CA 2.232 54.275 52.037 0.011 0.000 0.633 248 A CB -1.022 17.981 19.000 0.005 0.000 0.819 248 A HN 0.561 nan 8.150 nan 0.000 0.448 249 A N -0.820 121.963 122.820 -0.060 0.000 1.897 249 A HA 0.068 4.389 4.320 0.002 0.000 0.215 249 A C 2.110 179.574 177.584 -0.201 0.000 1.181 249 A CA 1.579 53.494 52.037 -0.203 0.000 0.620 249 A CB -0.605 18.294 19.000 -0.170 0.000 0.821 249 A HN 0.719 nan 8.150 nan 0.000 0.443 250 L N 1.024 122.256 121.223 0.014 0.000 2.042 250 L HA -0.211 4.130 4.340 0.002 0.000 0.210 250 L C 2.027 178.955 176.870 0.098 0.000 1.076 250 L CA 2.737 57.654 54.840 0.130 0.000 0.749 250 L CB -1.039 41.093 42.059 0.122 0.000 0.893 250 L HN 0.577 nan 8.230 nan 0.000 0.432 251 N N -0.954 117.780 118.700 0.057 0.000 2.069 251 N HA -0.329 4.413 4.740 0.002 0.000 0.191 251 N C 1.927 177.469 175.510 0.054 0.000 1.031 251 N CA 2.083 55.165 53.050 0.052 0.000 0.852 251 N CB -0.600 37.914 38.487 0.044 0.000 1.018 251 N HN 0.455 nan 8.380 nan 0.000 0.423 252 F N -0.022 119.854 119.950 -0.124 0.000 2.069 252 F HA -0.237 4.291 4.527 0.002 0.000 0.298 252 F C 1.624 177.390 175.800 -0.057 0.000 1.113 252 F CA 1.590 59.503 58.000 -0.145 0.000 1.214 252 F CB -0.618 38.209 39.000 -0.288 0.000 0.978 252 F HN 0.076 nan 8.300 nan 0.000 0.474 253 Y N 0.994 121.415 120.300 0.203 0.000 2.128 253 Y HA -0.199 4.352 4.550 0.002 0.000 0.284 253 Y C 2.524 178.394 175.900 -0.050 0.000 1.154 253 Y CA 1.631 59.775 58.100 0.073 0.000 1.149 253 Y CB -1.336 37.212 38.460 0.147 0.000 0.976 253 Y HN 0.237 nan 8.280 nan 0.000 0.505 254 E N -0.837 119.437 120.200 0.124 0.000 2.077 254 E HA -0.200 4.151 4.350 0.002 0.000 0.193 254 E C 2.333 178.921 176.600 -0.020 0.000 0.989 254 E CA 1.861 58.289 56.400 0.048 0.000 0.800 254 E CB -0.270 29.459 29.700 0.048 0.000 0.746 254 E HN 0.487 nan 8.360 nan 0.000 0.452 255 T N -0.748 113.765 114.554 -0.069 0.000 2.915 255 T HA -0.072 4.279 4.350 0.002 0.000 0.269 255 T C 1.957 176.565 174.700 -0.153 0.000 1.071 255 T CA 0.867 62.906 62.100 -0.102 0.000 1.132 255 T CB -0.108 68.698 68.868 -0.103 0.000 0.878 255 T HN -0.041 nan 8.240 nan 0.000 0.479 256 V N 1.271 121.040 119.914 -0.242 0.000 2.453 256 V HA 0.056 4.178 4.120 0.002 0.000 0.247 256 V C 2.956 178.987 176.094 -0.104 0.000 1.048 256 V CA 1.711 63.870 62.300 -0.234 0.000 1.049 256 V CB -0.617 30.994 31.823 -0.354 0.000 0.672 256 V HN 0.369 nan 8.190 nan 0.000 0.457 257 R N 0.402 120.865 120.500 -0.060 0.000 2.115 257 R HA -0.046 4.295 4.340 0.002 0.000 0.226 257 R C 2.282 178.565 176.300 -0.028 0.000 1.100 257 R CA 1.477 57.560 56.100 -0.028 0.000 0.980 257 R CB -0.529 29.768 30.300 -0.005 0.000 0.875 257 R HN 0.495 nan 8.270 nan 0.000 0.445 258 R N -0.386 120.094 120.500 -0.033 0.000 2.057 258 R HA -0.022 4.320 4.340 0.002 0.000 0.224 258 R C 0.692 176.975 176.300 -0.029 0.000 1.136 258 R CA 1.746 57.831 56.100 -0.025 0.000 0.968 258 R CB -0.067 30.221 30.300 -0.021 0.000 0.863 258 R HN 0.105 nan 8.270 nan 0.000 0.433 259 D N -0.942 119.433 120.400 -0.042 0.000 2.333 259 D HA 0.118 4.760 4.640 0.002 0.000 0.208 259 D C 0.938 177.216 176.300 -0.037 0.000 0.984 259 D CA 1.152 55.129 54.000 -0.039 0.000 0.873 259 D CB 0.450 41.220 40.800 -0.050 0.000 0.935 259 D HN 0.554 nan 8.370 nan 0.000 0.521 260 G N 0.234 109.008 108.800 -0.042 0.000 2.155 260 G HA2 -0.246 3.716 3.960 0.002 0.000 0.257 260 G HA3 -0.246 3.716 3.960 0.002 0.000 0.257 260 G C 0.523 175.401 174.900 -0.037 0.000 0.983 260 G CA 0.921 46.000 45.100 -0.034 0.000 0.676 260 G HN 0.609 nan 8.290 nan 0.000 0.528 261 T N -1.675 112.845 114.554 -0.056 0.000 2.830 261 T HA 0.495 4.846 4.350 0.002 0.000 0.322 261 T C 0.543 175.184 174.700 -0.099 0.000 1.501 261 T CA 0.601 62.667 62.100 -0.056 0.000 1.036 261 T CB 1.334 70.184 68.868 -0.030 0.000 1.379 261 T HN 0.560 nan 8.240 nan 0.000 0.493 262 Q N 2.540 122.280 119.800 -0.100 0.000 2.280 262 Q HA 0.206 4.547 4.340 0.002 0.000 0.201 262 Q C 1.458 177.427 176.000 -0.052 0.000 0.890 262 Q CA 0.029 55.741 55.803 -0.151 0.000 0.947 262 Q CB -0.031 28.614 28.738 -0.155 0.000 1.081 262 Q HN 0.783 nan 8.270 nan 0.000 0.502 263 K N 1.349 121.732 120.400 -0.028 0.000 2.059 263 K HA -0.202 4.119 4.320 0.002 0.000 0.212 263 K C 1.851 178.449 176.600 -0.003 0.000 1.050 263 K CA 1.956 58.240 56.287 -0.005 0.000 0.927 263 K CB -0.275 32.221 32.500 -0.006 0.000 0.714 263 K HN 0.288 nan 8.250 nan 0.000 0.447 264 A N 0.231 123.041 122.820 -0.017 0.000 2.125 264 A HA -0.028 4.293 4.320 0.002 0.000 0.219 264 A C 2.018 179.603 177.584 0.002 0.000 1.156 264 A CA 1.678 53.709 52.037 -0.010 0.000 0.671 264 A CB -0.435 18.554 19.000 -0.019 0.000 0.794 264 A HN 0.505 nan 8.150 nan 0.000 0.459 265 A N -0.390 122.434 122.820 0.006 0.000 2.308 265 A HA 0.318 4.640 4.320 0.002 0.000 0.217 265 A C 1.918 179.551 177.584 0.081 0.000 1.216 265 A CA 0.799 52.864 52.037 0.047 0.000 0.864 265 A CB -0.641 18.396 19.000 0.062 0.000 0.902 265 A HN 1.016 nan 8.150 nan 0.000 0.499 266 V N -2.281 117.673 119.914 0.066 0.000 2.759 266 V HA -0.037 4.084 4.120 0.002 0.000 0.256 266 V C -0.554 175.569 176.094 0.047 0.000 1.080 266 V CA 1.622 63.962 62.300 0.066 0.000 1.101 266 V CB -1.745 30.110 31.823 0.053 0.000 0.698 266 V HN 0.330 nan 8.190 nan 0.000 0.477 267 P HA -0.017 nan 4.420 nan 0.000 0.230 267 P C 1.512 178.833 177.300 0.034 0.000 1.158 267 P CA 1.778 64.897 63.100 0.031 0.000 0.769 267 P CB -0.312 31.403 31.700 0.025 0.000 0.807 268 T N -5.285 109.294 114.554 0.042 0.000 3.163 268 T HA 0.293 4.645 4.350 0.002 0.000 0.252 268 T C 0.536 175.259 174.700 0.037 0.000 1.056 268 T CA -0.092 62.032 62.100 0.040 0.000 0.947 268 T CB -0.611 68.285 68.868 0.046 0.000 1.016 268 T HN -0.085 nan 8.240 nan 0.000 0.554 269 M N 1.525 121.148 119.600 0.039 0.000 2.528 269 M HA 0.404 4.885 4.480 0.002 0.000 0.318 269 M C 0.039 176.358 176.300 0.032 0.000 1.195 269 M CA -0.780 54.536 55.300 0.027 0.000 1.000 269 M CB 1.985 34.602 32.600 0.029 0.000 1.615 269 M HN 0.121 nan 8.290 nan 0.000 0.469 270 Q N 1.141 120.960 119.800 0.033 0.000 2.293 270 Q HA 0.246 4.587 4.340 0.002 0.000 0.251 270 Q C -0.515 175.511 176.000 0.043 0.000 0.930 270 Q CA -0.481 55.357 55.803 0.058 0.000 0.893 270 Q CB 1.114 29.906 28.738 0.090 0.000 1.215 270 Q HN 0.750 nan 8.270 nan 0.000 0.425 271 T N 0.568 115.152 114.554 0.049 0.000 2.882 271 T HA 0.282 4.633 4.350 0.002 0.000 0.287 271 T C 0.891 175.585 174.700 -0.010 0.000 1.014 271 T CA -0.538 61.570 62.100 0.013 0.000 1.049 271 T CB 1.075 69.947 68.868 0.007 0.000 1.001 271 T HN 0.755 nan 8.240 nan 0.000 0.525 272 R N 1.133 121.582 120.500 -0.085 0.000 2.083 272 R HA -0.089 4.252 4.340 0.002 0.000 0.237 272 R C 2.788 178.879 176.300 -0.350 0.000 1.137 272 R CA 1.495 57.468 56.100 -0.213 0.000 0.951 272 R CB -1.010 29.100 30.300 -0.316 0.000 0.851 272 R HN 0.838 nan 8.270 nan 0.000 0.434 273 A N 1.180 123.844 122.820 -0.259 0.000 1.972 273 A HA -0.219 4.102 4.320 0.002 0.000 0.219 273 A C 2.021 179.639 177.584 0.055 0.000 1.169 273 A CA 1.304 53.253 52.037 -0.146 0.000 0.635 273 A CB -0.342 18.628 19.000 -0.050 0.000 0.810 273 A HN 0.377 nan 8.150 nan 0.000 0.446 274 Q N -0.756 119.101 119.800 0.096 0.000 2.123 274 Q HA -0.009 4.332 4.340 0.002 0.000 0.199 274 Q C 2.107 178.338 176.000 0.386 0.000 0.966 274 Q CA 0.984 56.919 55.803 0.221 0.000 0.845 274 Q CB -0.239 28.649 28.738 0.251 0.000 0.907 274 Q HN 0.688 nan 8.270 nan 0.000 0.439 275 L N -0.236 121.181 121.223 0.323 0.000 1.994 275 L HA -0.224 4.117 4.340 0.002 0.000 0.208 275 L C 2.200 179.335 176.870 0.443 0.000 1.071 275 L CA 1.388 56.461 54.840 0.388 0.000 0.745 275 L CB -0.299 41.898 42.059 0.229 0.000 0.892 275 L HN 0.253 nan 8.230 nan 0.000 0.431 276 Y N 0.450 120.762 120.300 0.021 0.000 2.151 276 Y HA -0.307 4.244 4.550 0.002 0.000 0.284 276 Y C 2.557 178.487 175.900 0.050 0.000 1.166 276 Y CA 1.016 59.064 58.100 -0.087 0.000 1.163 276 Y CB -1.117 37.136 38.460 -0.345 0.000 0.974 276 Y HN 0.326 nan 8.280 nan 0.000 0.511 277 D N -1.153 119.433 120.400 0.310 0.000 2.104 277 D HA -0.213 4.428 4.640 0.002 0.000 0.194 277 D C 2.115 178.458 176.300 0.072 0.000 0.994 277 D CA 1.665 55.771 54.000 0.176 0.000 0.830 277 D CB -0.648 40.162 40.800 0.016 0.000 0.959 277 D HN 0.349 nan 8.370 nan 0.000 0.452 278 Y N 0.698 121.149 120.300 0.252 0.000 2.243 278 Y HA 0.060 4.611 4.550 0.002 0.000 0.293 278 Y C 2.408 178.465 175.900 0.262 0.000 1.124 278 Y CA 0.266 58.499 58.100 0.221 0.000 1.159 278 Y CB -0.514 38.066 38.460 0.199 0.000 1.008 278 Y HN -0.088 nan 8.280 nan 0.000 0.527 279 L N -0.338 121.175 121.223 0.483 0.000 2.450 279 L HA -0.169 4.172 4.340 0.002 0.000 0.225 279 L C 1.564 178.598 176.870 0.274 0.000 1.145 279 L CA 1.135 56.178 54.840 0.337 0.000 0.801 279 L CB -1.160 41.008 42.059 0.180 0.000 0.924 279 L HN 0.532 nan 8.230 nan 0.000 0.447 280 G N -0.674 108.269 108.800 0.238 0.000 2.356 280 G HA2 -0.373 3.588 3.960 0.002 0.000 0.296 280 G HA3 -0.373 3.588 3.960 0.002 0.000 0.296 280 G C 0.463 175.494 174.900 0.218 0.000 1.022 280 G CA 0.768 45.982 45.100 0.189 0.000 0.961 280 G HN 0.538 nan 8.290 nan 0.000 0.510 281 Y N -0.367 119.940 120.300 0.012 0.000 2.242 281 Y HA -0.062 4.490 4.550 0.003 0.000 0.291 281 Y C 2.472 178.341 175.900 -0.051 0.000 1.137 281 Y CA 2.163 60.203 58.100 -0.101 0.000 1.181 281 Y CB -0.173 37.974 38.460 -0.523 0.000 0.989 281 Y HN 0.432 nan 8.280 nan 0.000 0.527 282 Y N -0.313 120.052 120.300 0.110 0.000 2.352 282 Y HA -0.097 4.454 4.550 0.002 0.000 0.292 282 Y C 2.596 178.455 175.900 -0.068 0.000 1.136 282 Y CA 0.608 58.698 58.100 -0.016 0.000 1.227 282 Y CB -0.650 37.879 38.460 0.115 0.000 0.991 282 Y HN 0.239 nan 8.280 nan 0.000 0.545 283 A N -0.405 122.443 122.820 0.046 0.000 2.019 283 A HA -0.203 4.118 4.320 0.002 0.000 0.219 283 A C 1.629 179.103 177.584 -0.184 0.000 1.164 283 A CA 1.425 53.415 52.037 -0.079 0.000 0.644 283 A CB -0.973 17.941 19.000 -0.143 0.000 0.805 283 A HN 0.540 nan 8.150 nan 0.000 0.449 284 Y N -0.241 119.955 120.300 -0.173 0.000 2.153 284 Y HA -0.119 4.432 4.550 0.002 0.000 0.289 284 Y C 2.575 178.392 175.900 -0.139 0.000 1.127 284 Y CA 1.442 59.442 58.100 -0.167 0.000 1.131 284 Y CB -0.225 38.093 38.460 -0.237 0.000 0.995 284 Y HN 0.219 nan 8.280 nan 0.000 0.505 285 E N 0.419 120.603 120.200 -0.026 0.000 2.171 285 E HA -0.259 4.092 4.350 0.002 0.000 0.197 285 E C 1.930 178.536 176.600 0.010 0.000 0.997 285 E CA 1.471 57.865 56.400 -0.011 0.000 0.810 285 E CB -0.075 29.611 29.700 -0.024 0.000 0.738 285 E HN 0.507 nan 8.360 nan 0.000 0.467 286 E N 0.653 120.847 120.200 -0.009 0.000 2.028 286 E HA -0.155 4.197 4.350 0.002 0.000 0.191 286 E C 1.963 178.532 176.600 -0.052 0.000 0.988 286 E CA 1.390 57.776 56.400 -0.023 0.000 0.799 286 E CB -0.084 29.599 29.700 -0.028 0.000 0.755 286 E HN -0.014 nan 8.360 nan 0.000 0.447 287 K N 0.189 120.539 120.400 -0.083 0.000 2.103 287 K HA -0.114 4.207 4.320 0.002 0.000 0.207 287 K C 1.958 178.493 176.600 -0.109 0.000 1.048 287 K CA 1.111 57.330 56.287 -0.113 0.000 0.930 287 K CB -0.273 32.142 32.500 -0.141 0.000 0.716 287 K HN 0.138 nan 8.250 nan 0.000 0.444 288 L N 0.368 121.583 121.223 -0.013 0.000 2.056 288 L HA -0.204 4.137 4.340 0.002 0.000 0.207 288 L C 1.947 178.852 176.870 0.058 0.000 1.078 288 L CA 1.352 56.244 54.840 0.086 0.000 0.749 288 L CB -0.497 41.657 42.059 0.159 0.000 0.901 288 L HN 0.371 nan 8.230 nan 0.000 0.433 289 D N -0.286 120.126 120.400 0.019 0.000 2.095 289 D HA -0.282 4.360 4.640 0.002 0.000 0.192 289 D C 1.968 178.223 176.300 -0.075 0.000 0.990 289 D CA 1.341 55.343 54.000 0.004 0.000 0.836 289 D CB -0.298 40.505 40.800 0.006 0.000 0.979 289 D HN 0.262 nan 8.370 nan 0.000 0.447 290 Q N 0.141 119.876 119.800 -0.109 0.000 2.268 290 Q HA -0.213 4.128 4.340 0.002 0.000 0.213 290 Q C 2.262 178.120 176.000 -0.237 0.000 0.995 290 Q CA 1.240 56.959 55.803 -0.141 0.000 0.901 290 Q CB -0.186 28.475 28.738 -0.128 0.000 0.921 290 Q HN 0.353 nan 8.270 nan 0.000 0.421 291 L N -1.200 119.746 121.223 -0.460 0.000 2.249 291 L HA 0.139 4.481 4.340 0.002 0.000 0.207 291 L C 0.578 177.032 176.870 -0.694 0.000 1.090 291 L CA 0.164 54.509 54.840 -0.825 0.000 0.802 291 L CB 0.123 41.181 42.059 -1.669 0.000 0.947 291 L HN 0.061 nan 8.230 nan 0.000 0.453 292 F N 0.000 119.950 119.950 0.000 0.000 2.286 292 F HA 0.000 4.527 4.527 0.000 0.000 0.279 292 F CA 0.000 58.001 58.000 0.002 0.000 1.383 292 F CB 0.000 39.002 39.000 0.004 0.000 1.145 292 F HN 0.000 nan 8.300 nan 0.000 0.574