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 3gw8_1_A DATA FIRST_RESID 1 DATA SEQUENCE MYKLVLIRHG ESTWNKENRF TGWVDVDLTE QGNREARQAG QLLKEAGYTF DATA SEQUENCE DIAYTSVLKR AIRTLWHVQD QMDLMYVPVV HSWRLNERHY GALSGLNKAE DATA SEQUENCE TAAKYGDEQV LVWRRSYDTP PPALEPGDER APYADPRYAK VPREQLPLTE DATA SEQUENCE CLKDTVARVL PLWNESIAPA VKAGKQVLIA AHGNSLRALI KYLDGISDAD DATA SEQUENCE IVGLNIPNGV PLVYELDESL TPIRHYYLGD 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 0.000 176.026 176.300 -0.457 0.000 1.140 1 M CA 0.000 55.078 55.300 -0.370 0.000 0.988 1 M CB 0.000 32.523 32.600 -0.129 0.000 1.302 2 Y N 1.860 122.213 120.300 0.088 0.000 2.524 2 Y HA 0.624 5.174 4.550 0.000 0.000 0.344 2 Y C -0.404 175.575 175.900 0.130 0.000 1.012 2 Y CA -0.808 57.353 58.100 0.103 0.000 1.068 2 Y CB 1.778 40.305 38.460 0.112 0.000 1.249 2 Y HN 0.393 nan 8.280 nan 0.000 0.468 3 K N 2.261 122.845 120.400 0.307 0.000 2.292 3 K HA 0.613 4.933 4.320 0.000 0.000 0.257 3 K C -1.745 175.039 176.600 0.307 0.000 0.940 3 K CA -0.954 55.501 56.287 0.279 0.000 0.811 3 K CB 2.357 35.011 32.500 0.257 0.000 1.120 3 K HN 0.514 nan 8.250 nan 0.000 0.428 4 L N 3.006 124.406 121.223 0.294 0.000 2.385 4 L HA 0.457 4.798 4.340 0.000 0.000 0.273 4 L C -1.426 175.595 176.870 0.251 0.000 0.990 4 L CA -0.659 54.345 54.840 0.273 0.000 0.821 4 L CB 1.964 44.172 42.059 0.248 0.000 1.279 4 L HN 0.314 nan 8.230 nan 0.000 0.412 5 V N 5.967 126.026 119.914 0.243 0.000 2.459 5 V HA 0.546 4.667 4.120 0.000 0.000 0.295 5 V C -0.130 176.000 176.094 0.059 0.000 1.029 5 V CA -0.548 61.855 62.300 0.173 0.000 0.874 5 V CB 1.580 33.572 31.823 0.283 0.000 0.985 5 V HN 0.657 nan 8.190 nan 0.000 0.438 6 L N 5.461 126.715 121.223 0.052 0.000 2.342 6 L HA 0.736 5.076 4.340 0.000 0.000 0.271 6 L C -0.678 176.208 176.870 0.026 0.000 1.008 6 L CA -0.605 54.246 54.840 0.018 0.000 0.818 6 L CB 2.244 44.315 42.059 0.020 0.000 1.296 6 L HN 0.552 nan 8.230 nan 0.000 0.427 7 I N 1.804 122.373 120.570 -0.002 0.000 2.680 7 I HA 0.356 4.526 4.170 0.000 0.000 0.291 7 I C -0.740 175.354 176.117 -0.038 0.000 1.244 7 I CA -0.485 60.816 61.300 0.002 0.000 1.042 7 I CB 2.321 40.316 38.000 -0.008 0.000 1.277 7 I HN 0.689 nan 8.210 nan 0.000 0.423 8 R N 4.875 125.343 120.500 -0.054 0.000 2.490 8 R HA 0.307 4.647 4.340 0.000 0.000 0.278 8 R C -0.564 175.625 176.300 -0.185 0.000 1.069 8 R CA -0.342 55.666 56.100 -0.153 0.000 1.080 8 R CB 0.604 30.793 30.300 -0.185 0.000 1.030 8 R HN 0.757 nan 8.270 nan 0.000 0.491 9 H N 0.739 119.726 119.070 -0.138 0.000 2.998 9 H HA 0.168 4.724 4.556 -0.000 0.000 0.353 9 H C 0.503 175.798 175.328 -0.056 0.000 1.099 9 H CA 0.080 56.053 56.048 -0.124 0.000 1.393 9 H CB 0.215 29.867 29.762 -0.183 0.000 1.343 9 H HN 0.744 nan 8.280 nan 0.000 0.609 10 G N 0.929 109.804 108.800 0.125 0.000 2.716 10 G HA2 0.007 3.967 3.960 0.000 0.000 0.251 10 G HA3 0.007 3.967 3.960 0.000 0.000 0.251 10 G C -0.446 174.570 174.900 0.193 0.000 1.224 10 G CA -0.562 44.591 45.100 0.089 0.000 0.891 10 G HN 0.935 nan 8.290 nan 0.000 0.561 11 E N -0.431 119.829 120.200 0.100 0.000 2.694 11 E HA 0.099 4.449 4.350 0.000 0.000 0.250 11 E C 0.759 177.428 176.600 0.115 0.000 0.963 11 E CA 0.122 56.588 56.400 0.110 0.000 0.949 11 E CB 0.196 29.929 29.700 0.054 0.000 0.911 11 E HN 0.472 nan 8.360 nan 0.000 0.500 12 S N 2.262 118.044 115.700 0.136 0.000 2.687 12 S HA 0.147 4.617 4.470 0.000 0.000 0.283 12 S C 1.355 175.999 174.600 0.073 0.000 1.170 12 S CA -0.088 58.138 58.200 0.044 0.000 1.008 12 S CB 1.572 64.753 63.200 -0.032 0.000 1.026 12 S HN 0.651 nan 8.310 nan 0.000 0.541 13 T N -1.712 112.867 114.554 0.042 0.000 2.759 13 T HA -0.133 4.217 4.350 0.000 0.000 0.269 13 T C 1.063 175.943 174.700 0.299 0.000 1.042 13 T CA 1.064 63.238 62.100 0.123 0.000 1.140 13 T CB -0.614 68.307 68.868 0.088 0.000 0.864 13 T HN 0.702 nan 8.240 nan 0.000 0.455 14 W N 2.390 123.681 121.300 -0.015 0.000 2.584 14 W HA 0.335 4.995 4.660 -0.000 0.000 0.264 14 W C 2.045 178.549 176.519 -0.026 0.000 1.264 14 W CA -0.810 56.521 57.345 -0.023 0.000 1.306 14 W CB -1.123 28.323 29.460 -0.024 0.000 1.110 14 W HN 0.454 nan 8.180 nan 0.000 0.606 15 N N 0.490 119.316 118.700 0.211 0.000 2.084 15 N HA -0.211 4.529 4.740 0.000 0.000 0.190 15 N C 1.818 177.369 175.510 0.068 0.000 1.030 15 N CA 1.594 54.716 53.050 0.120 0.000 0.849 15 N CB -0.350 38.215 38.487 0.131 0.000 1.012 15 N HN 0.060 nan 8.380 nan 0.000 0.423 16 K N 1.513 121.962 120.400 0.081 0.000 2.032 16 K HA -0.168 4.152 4.320 0.000 0.000 0.209 16 K C 1.135 177.750 176.600 0.024 0.000 1.048 16 K CA 1.420 57.736 56.287 0.049 0.000 0.927 16 K CB 0.063 32.598 32.500 0.059 0.000 0.712 16 K HN 0.241 nan 8.250 nan 0.000 0.441 17 E N 0.396 120.616 120.200 0.035 0.000 2.511 17 E HA -0.079 4.271 4.350 0.000 0.000 0.196 17 E C -0.194 176.342 176.600 -0.106 0.000 1.066 17 E CA -0.080 56.300 56.400 -0.034 0.000 0.871 17 E CB -0.100 29.569 29.700 -0.050 0.000 0.863 17 E HN 0.337 nan 8.360 nan 0.000 0.520 18 N N 1.623 120.268 118.700 -0.092 0.000 2.738 18 N HA -0.199 4.541 4.740 0.000 0.000 0.249 18 N C -1.316 174.025 175.510 -0.282 0.000 1.047 18 N CA 0.639 53.594 53.050 -0.159 0.000 0.707 18 N CB -0.817 37.587 38.487 -0.139 0.000 0.937 18 N HN 0.153 nan 8.380 nan 0.000 0.545 19 R N -0.063 120.267 120.500 -0.285 0.000 2.664 19 R HA 0.429 4.769 4.340 0.000 0.000 0.286 19 R C -0.157 175.959 176.300 -0.306 0.000 0.967 19 R CA -0.802 55.052 56.100 -0.411 0.000 0.933 19 R CB 0.684 30.573 30.300 -0.684 0.000 1.146 19 R HN 0.024 nan 8.270 nan 0.000 0.468 20 F N 0.551 120.368 119.950 -0.222 0.000 2.529 20 F HA 0.048 4.576 4.527 0.002 0.000 0.365 20 F C 1.529 177.317 175.800 -0.020 0.000 1.102 20 F CA 0.488 58.303 58.000 -0.308 0.000 1.271 20 F CB 0.772 39.440 39.000 -0.553 0.000 1.120 20 F HN 0.542 nan 8.300 nan 0.000 0.579 21 T N 0.747 115.461 114.554 0.268 0.000 3.111 21 T HA 0.342 4.692 4.350 0.000 0.000 0.236 21 T C 1.555 176.427 174.700 0.286 0.000 0.984 21 T CA 0.485 62.848 62.100 0.438 0.000 1.195 21 T CB -0.485 68.575 68.868 0.321 0.000 0.929 21 T HN 0.942 nan 8.240 nan 0.000 0.431 22 G N 1.155 110.122 108.800 0.279 0.000 2.629 22 G HA2 -0.288 3.672 3.960 0.000 0.000 0.313 22 G HA3 -0.288 3.672 3.960 0.000 0.000 0.313 22 G C 0.441 175.482 174.900 0.235 0.000 1.217 22 G CA 0.672 45.940 45.100 0.280 0.000 0.994 22 G HN 0.451 nan 8.290 nan 0.000 0.549 23 W N 1.139 122.302 121.300 -0.228 0.000 3.256 23 W HA 0.499 5.160 4.660 0.002 0.000 0.269 23 W C 1.254 177.700 176.519 -0.123 0.000 1.310 23 W CA 0.003 57.242 57.345 -0.177 0.000 1.673 23 W CB -0.655 28.683 29.460 -0.204 0.000 1.115 23 W HN 0.335 nan 8.180 nan 0.000 0.686 24 V N 1.953 121.901 119.914 0.057 0.000 2.585 24 V HA -0.122 3.998 4.120 0.000 0.000 0.296 24 V C 0.499 176.470 176.094 -0.205 0.000 1.035 24 V CA 0.141 62.393 62.300 -0.080 0.000 1.084 24 V CB 0.627 32.351 31.823 -0.165 0.000 0.953 24 V HN -0.165 nan 8.190 nan 0.000 0.483 25 D N 4.020 124.304 120.400 -0.194 0.000 2.845 25 D HA 0.205 4.845 4.640 0.000 0.000 0.235 25 D C 0.151 176.277 176.300 -0.291 0.000 1.158 25 D CA -0.166 53.712 54.000 -0.203 0.000 0.990 25 D CB 0.057 40.772 40.800 -0.141 0.000 1.094 25 D HN 0.483 nan 8.370 nan 0.000 0.486 26 V N -0.855 118.807 119.914 -0.419 0.000 2.953 26 V HA 0.452 4.572 4.120 0.000 0.000 0.304 26 V C 0.519 176.429 176.094 -0.306 0.000 1.073 26 V CA -0.704 61.313 62.300 -0.472 0.000 1.064 26 V CB 1.667 33.009 31.823 -0.801 0.000 1.047 26 V HN 0.032 nan 8.190 nan 0.000 0.478 27 D N 0.827 121.085 120.400 -0.237 0.000 2.440 27 D HA 0.499 5.139 4.640 0.000 0.000 0.258 27 D C -0.256 175.974 176.300 -0.117 0.000 1.092 27 D CA -0.602 53.300 54.000 -0.164 0.000 1.016 27 D CB 1.626 42.355 40.800 -0.118 0.000 1.141 27 D HN 0.681 nan 8.370 nan 0.000 0.552 28 L N 0.778 121.958 121.223 -0.071 0.000 2.417 28 L HA 0.215 4.555 4.340 0.000 0.000 0.268 28 L C 1.197 178.068 176.870 0.002 0.000 1.158 28 L CA -0.442 54.387 54.840 -0.019 0.000 0.819 28 L CB 0.904 42.975 42.059 0.020 0.000 1.112 28 L HN 0.477 nan 8.230 nan 0.000 0.458 29 T N -2.181 112.383 114.554 0.017 0.000 2.754 29 T HA 0.037 4.387 4.350 0.000 0.000 0.286 29 T C 0.888 175.599 174.700 0.018 0.000 0.997 29 T CA -0.554 61.559 62.100 0.022 0.000 0.982 29 T CB 1.197 70.082 68.868 0.028 0.000 1.027 29 T HN 0.626 nan 8.240 nan 0.000 0.529 30 E N -0.002 120.208 120.200 0.016 0.000 2.118 30 E HA -0.212 4.138 4.350 0.000 0.000 0.195 30 E C 2.235 178.829 176.600 -0.010 0.000 0.992 30 E CA 1.753 58.157 56.400 0.007 0.000 0.804 30 E CB -0.467 29.240 29.700 0.010 0.000 0.741 30 E HN 0.813 nan 8.360 nan 0.000 0.458 31 Q N -0.649 119.149 119.800 -0.003 0.000 2.084 31 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 31 Q C 2.093 178.084 176.000 -0.016 0.000 0.978 31 Q CA 1.808 57.605 55.803 -0.010 0.000 0.844 31 Q CB -0.578 28.160 28.738 0.000 0.000 0.898 31 Q HN 0.398 nan 8.270 nan 0.000 0.426 32 G N 0.967 109.767 108.800 0.000 0.000 2.418 32 G HA2 -0.286 3.674 3.960 0.000 0.000 0.217 32 G HA3 -0.286 3.674 3.960 0.000 0.000 0.217 32 G C 1.323 176.204 174.900 -0.032 0.000 1.158 32 G CA 0.816 45.921 45.100 0.008 0.000 0.771 32 G HN 0.343 nan 8.290 nan 0.000 0.545 33 N N 0.386 119.052 118.700 -0.057 0.000 2.104 33 N HA -0.112 4.628 4.740 0.000 0.000 0.190 33 N C 2.212 177.511 175.510 -0.353 0.000 1.024 33 N CA 1.062 53.981 53.050 -0.217 0.000 0.853 33 N CB -0.305 38.120 38.487 -0.104 0.000 1.008 33 N HN 0.360 nan 8.380 nan 0.000 0.424 34 R N 1.329 121.724 120.500 -0.175 0.000 2.075 34 R HA -0.059 4.281 4.340 0.000 0.000 0.232 34 R C 1.794 178.032 176.300 -0.104 0.000 1.126 34 R CA 1.182 57.202 56.100 -0.133 0.000 0.963 34 R CB 0.048 30.306 30.300 -0.069 0.000 0.858 34 R HN 0.272 nan 8.270 nan 0.000 0.435 35 E N -0.052 120.104 120.200 -0.075 0.000 2.058 35 E HA -0.220 4.130 4.350 0.000 0.000 0.194 35 E C 1.926 178.499 176.600 -0.044 0.000 0.997 35 E CA 1.488 57.860 56.400 -0.048 0.000 0.801 35 E CB -0.140 29.541 29.700 -0.032 0.000 0.746 35 E HN 0.461 nan 8.360 nan 0.000 0.450 36 A N 1.279 124.062 122.820 -0.062 0.000 1.877 36 A HA -0.206 4.114 4.320 0.000 0.000 0.216 36 A C 2.051 179.636 177.584 0.001 0.000 1.186 36 A CA 1.409 53.441 52.037 -0.009 0.000 0.620 36 A CB -0.397 18.635 19.000 0.054 0.000 0.822 36 A HN 0.081 nan 8.150 nan 0.000 0.443 37 R N -0.928 119.509 120.500 -0.105 0.000 2.081 37 R HA -0.132 4.208 4.340 0.000 0.000 0.235 37 R C 2.388 178.693 176.300 0.008 0.000 1.131 37 R CA 1.443 57.525 56.100 -0.030 0.000 0.960 37 R CB -0.312 29.933 30.300 -0.090 0.000 0.856 37 R HN 0.521 nan 8.270 nan 0.000 0.436 38 Q N 0.126 119.919 119.800 -0.013 0.000 2.124 38 Q HA -0.063 4.278 4.340 0.000 0.000 0.202 38 Q C 2.132 178.144 176.000 0.020 0.000 0.977 38 Q CA 1.593 57.398 55.803 0.003 0.000 0.850 38 Q CB -0.285 28.448 28.738 -0.009 0.000 0.901 38 Q HN 0.338 nan 8.270 nan 0.000 0.429 39 A N 0.741 123.574 122.820 0.021 0.000 1.902 39 A HA -0.092 4.228 4.320 0.000 0.000 0.217 39 A C 2.350 179.971 177.584 0.061 0.000 1.181 39 A CA 1.822 53.880 52.037 0.035 0.000 0.623 39 A CB -1.064 17.956 19.000 0.033 0.000 0.818 39 A HN 0.445 nan 8.150 nan 0.000 0.443 40 G N -0.875 107.972 108.800 0.078 0.000 2.421 40 G HA2 -0.228 3.732 3.960 0.000 0.000 0.216 40 G HA3 -0.228 3.732 3.960 0.000 0.000 0.216 40 G C 1.600 176.555 174.900 0.091 0.000 1.171 40 G CA 0.985 46.148 45.100 0.105 0.000 0.775 40 G HN 0.642 nan 8.290 nan 0.000 0.543 41 Q N -0.335 119.507 119.800 0.070 0.000 2.096 41 Q HA -0.017 4.323 4.340 0.000 0.000 0.204 41 Q C 2.543 178.580 176.000 0.061 0.000 0.982 41 Q CA 1.089 56.929 55.803 0.061 0.000 0.850 41 Q CB -0.309 28.456 28.738 0.045 0.000 0.901 41 Q HN 0.479 nan 8.270 nan 0.000 0.422 42 L N 0.517 121.772 121.223 0.054 0.000 2.017 42 L HA -0.220 4.120 4.340 0.000 0.000 0.208 42 L C 2.139 179.045 176.870 0.060 0.000 1.073 42 L CA 1.112 55.983 54.840 0.051 0.000 0.745 42 L CB -0.102 41.979 42.059 0.037 0.000 0.894 42 L HN 0.262 nan 8.230 nan 0.000 0.432 43 L N -0.199 121.057 121.223 0.054 0.000 2.046 43 L HA -0.266 4.074 4.340 0.000 0.000 0.208 43 L C 2.681 179.635 176.870 0.140 0.000 1.077 43 L CA 1.538 56.414 54.840 0.061 0.000 0.747 43 L CB -0.560 41.560 42.059 0.100 0.000 0.896 43 L HN 0.283 nan 8.230 nan 0.000 0.432 44 K N 0.554 121.020 120.400 0.110 0.000 2.032 44 K HA -0.231 4.090 4.320 0.000 0.000 0.209 44 K C 1.931 178.586 176.600 0.091 0.000 1.048 44 K CA 1.789 58.132 56.287 0.095 0.000 0.927 44 K CB -0.021 32.527 32.500 0.080 0.000 0.712 44 K HN 0.323 nan 8.250 nan 0.000 0.441 45 E N -0.339 119.913 120.200 0.087 0.000 2.153 45 E HA -0.142 4.209 4.350 0.000 0.000 0.194 45 E C 1.605 178.262 176.600 0.096 0.000 0.988 45 E CA 0.970 57.415 56.400 0.076 0.000 0.811 45 E CB -0.021 29.717 29.700 0.063 0.000 0.746 45 E HN 0.427 nan 8.360 nan 0.000 0.466 46 A N 0.093 123.005 122.820 0.154 0.000 2.238 46 A HA 0.245 4.565 4.320 0.000 0.000 0.208 46 A C 1.682 179.379 177.584 0.188 0.000 1.177 46 A CA 0.757 52.926 52.037 0.220 0.000 0.804 46 A CB -0.326 18.895 19.000 0.369 0.000 0.823 46 A HN 0.326 nan 8.150 nan 0.000 0.482 47 G N -2.057 106.822 108.800 0.131 0.000 2.148 47 G HA2 -0.314 3.646 3.960 0.000 0.000 0.254 47 G HA3 -0.314 3.646 3.960 0.000 0.000 0.254 47 G C 0.045 174.921 174.900 -0.039 0.000 0.981 47 G CA 0.315 45.432 45.100 0.027 0.000 0.670 47 G HN 0.492 nan 8.290 nan 0.000 0.528 48 Y N 0.223 120.470 120.300 -0.089 0.000 2.480 48 Y HA 0.495 5.045 4.550 0.000 0.000 0.338 48 Y C 1.212 176.901 175.900 -0.352 0.000 1.220 48 Y CA 1.241 59.207 58.100 -0.224 0.000 1.430 48 Y CB 1.184 39.504 38.460 -0.233 0.000 1.311 48 Y HN 0.172 nan 8.280 nan 0.000 0.575 49 T N 2.463 116.776 114.554 -0.402 0.000 2.841 49 T HA 0.707 5.057 4.350 0.000 0.000 0.296 49 T C -1.773 172.486 174.700 -0.736 0.000 1.166 49 T CA -0.688 61.149 62.100 -0.439 0.000 1.007 49 T CB 0.631 69.414 68.868 -0.142 0.000 1.253 49 T HN 0.304 nan 8.240 nan 0.000 0.511 50 F N 0.731 120.723 119.950 0.069 0.000 2.599 50 F HA 0.475 5.002 4.527 0.000 0.000 0.311 50 F C 0.859 176.668 175.800 0.015 0.000 1.076 50 F CA -0.955 57.076 58.000 0.051 0.000 0.937 50 F CB 1.905 40.926 39.000 0.035 0.000 1.282 50 F HN 0.499 nan 8.300 nan 0.000 0.460 51 D N 0.930 121.466 120.400 0.226 0.000 2.338 51 D HA 0.226 4.866 4.640 0.000 0.000 0.208 51 D C 0.025 176.362 176.300 0.062 0.000 0.997 51 D CA 1.064 55.138 54.000 0.122 0.000 0.880 51 D CB 1.568 42.433 40.800 0.109 0.000 0.980 51 D HN 0.356 nan 8.370 nan 0.000 0.509 52 I N -0.348 120.257 120.570 0.060 0.000 2.908 52 I HA 0.487 4.657 4.170 0.000 0.000 0.300 52 I C -2.084 173.968 176.117 -0.108 0.000 1.385 52 I CA -0.749 60.512 61.300 -0.065 0.000 1.004 52 I CB 2.135 40.082 38.000 -0.090 0.000 1.309 52 I HN -0.158 nan 8.210 nan 0.000 0.449 53 A N 4.855 127.526 122.820 -0.248 0.000 2.454 53 A HA 0.815 5.135 4.320 0.000 0.000 0.302 53 A C -2.196 175.137 177.584 -0.417 0.000 1.079 53 A CA -0.320 51.569 52.037 -0.247 0.000 0.731 53 A CB 1.328 20.190 19.000 -0.229 0.000 1.299 53 A HN 0.622 nan 8.150 nan 0.000 0.413 54 Y N -0.035 120.168 120.300 -0.162 0.000 2.429 54 Y HA 0.740 5.291 4.550 0.001 0.000 0.342 54 Y C 0.827 176.637 175.900 -0.150 0.000 1.004 54 Y CA -0.011 57.998 58.100 -0.151 0.000 1.075 54 Y CB 2.709 41.109 38.460 -0.100 0.000 1.214 54 Y HN 0.813 nan 8.280 nan 0.000 0.455 55 T N 0.205 114.745 114.554 -0.023 0.000 2.731 55 T HA 0.475 4.825 4.350 0.000 0.000 0.300 55 T C -0.399 174.323 174.700 0.037 0.000 1.283 55 T CA -0.502 61.588 62.100 -0.018 0.000 1.005 55 T CB 0.703 69.526 68.868 -0.076 0.000 1.420 55 T HN 0.713 nan 8.240 nan 0.000 0.503 56 S N 0.016 115.761 115.700 0.074 0.000 2.607 56 S HA 0.373 4.843 4.470 0.000 0.000 0.272 56 S C 1.336 175.989 174.600 0.089 0.000 1.166 56 S CA 0.261 58.518 58.200 0.096 0.000 1.021 56 S CB 0.177 63.502 63.200 0.209 0.000 1.113 56 S HN 1.173 nan 8.310 nan 0.000 0.531 57 V N -1.834 118.098 119.914 0.029 0.000 3.542 57 V HA 0.461 4.581 4.120 0.000 0.000 0.296 57 V C -0.060 175.983 176.094 -0.085 0.000 1.364 57 V CA -0.222 62.061 62.300 -0.030 0.000 1.118 57 V CB -1.279 30.495 31.823 -0.083 0.000 0.972 57 V HN 0.563 nan 8.190 nan 0.000 0.430 58 L N 1.855 123.053 121.223 -0.041 0.000 2.282 58 L HA 0.465 4.805 4.340 0.000 0.000 0.288 58 L C 1.510 178.326 176.870 -0.090 0.000 1.033 58 L CA -0.568 54.234 54.840 -0.063 0.000 0.807 58 L CB 1.907 43.956 42.059 -0.016 0.000 1.209 58 L HN 0.244 nan 8.230 nan 0.000 0.423 59 K N 3.566 123.867 120.400 -0.166 0.000 2.283 59 K HA -0.129 4.191 4.320 0.000 0.000 0.202 59 K C 1.711 178.164 176.600 -0.244 0.000 1.048 59 K CA 0.965 57.106 56.287 -0.244 0.000 0.948 59 K CB -0.019 32.328 32.500 -0.254 0.000 0.742 59 K HN 0.638 nan 8.250 nan 0.000 0.458 60 R N 0.798 121.171 120.500 -0.211 0.000 2.096 60 R HA -0.011 4.329 4.340 0.000 0.000 0.235 60 R C 2.233 178.421 176.300 -0.186 0.000 1.127 60 R CA 1.270 57.229 56.100 -0.234 0.000 0.968 60 R CB -0.565 29.488 30.300 -0.412 0.000 0.861 60 R HN 0.219 nan 8.270 nan 0.000 0.440 61 A N 1.706 124.404 122.820 -0.203 0.000 1.898 61 A HA 0.050 4.370 4.320 0.000 0.000 0.214 61 A C 2.258 179.744 177.584 -0.163 0.000 1.183 61 A CA 0.869 52.786 52.037 -0.201 0.000 0.622 61 A CB -0.316 18.484 19.000 -0.333 0.000 0.824 61 A HN 0.266 nan 8.150 nan 0.000 0.444 62 I N -0.975 119.468 120.570 -0.211 0.000 2.226 62 I HA -0.221 3.949 4.170 0.000 0.000 0.245 62 I C 2.698 178.501 176.117 -0.524 0.000 1.100 62 I CA 1.517 62.628 61.300 -0.316 0.000 1.374 62 I CB -0.287 37.481 38.000 -0.386 0.000 1.057 62 I HN 0.306 nan 8.210 nan 0.000 0.413 63 R N 0.430 120.624 120.500 -0.511 0.000 2.092 63 R HA -0.138 4.202 4.340 0.000 0.000 0.231 63 R C 2.278 178.556 176.300 -0.037 0.000 1.119 63 R CA 1.786 57.650 56.100 -0.395 0.000 0.970 63 R CB -0.208 29.939 30.300 -0.256 0.000 0.864 63 R HN 0.285 nan 8.270 nan 0.000 0.440 64 T N 1.795 116.349 114.554 -0.000 0.000 2.684 64 T HA -0.192 4.158 4.350 0.000 0.000 0.267 64 T C 1.663 176.423 174.700 0.100 0.000 1.036 64 T CA 1.464 63.620 62.100 0.093 0.000 1.148 64 T CB -0.278 68.614 68.868 0.039 0.000 0.863 64 T HN 0.174 nan 8.240 nan 0.000 0.436 65 L N -0.047 121.194 121.223 0.031 0.000 2.012 65 L HA -0.062 4.278 4.340 0.000 0.000 0.210 65 L C 2.055 179.046 176.870 0.202 0.000 1.073 65 L CA 1.702 56.582 54.840 0.067 0.000 0.748 65 L CB -0.891 41.179 42.059 0.018 0.000 0.891 65 L HN 0.307 nan 8.230 nan 0.000 0.431 66 W N 0.033 121.303 121.300 -0.050 0.000 2.318 66 W HA -0.222 4.439 4.660 0.001 0.000 0.313 66 W C 2.994 179.456 176.519 -0.094 0.000 1.221 66 W CA 1.751 59.036 57.345 -0.100 0.000 1.266 66 W CB -1.367 27.987 29.460 -0.177 0.000 1.150 66 W HN 0.351 nan 8.180 nan 0.000 0.496 67 H N -0.934 118.282 119.070 0.243 0.000 2.353 67 H HA -0.111 4.445 4.556 0.000 0.000 0.300 67 H C 2.274 177.664 175.328 0.104 0.000 1.090 67 H CA 2.099 58.231 56.048 0.140 0.000 1.327 67 H CB -0.885 28.939 29.762 0.103 0.000 1.383 67 H HN -0.037 nan 8.280 nan 0.000 0.508 68 V N 1.314 121.360 119.914 0.219 0.000 2.261 68 V HA -0.277 3.843 4.120 0.000 0.000 0.246 68 V C 2.507 178.684 176.094 0.139 0.000 1.047 68 V CA 1.791 64.184 62.300 0.156 0.000 1.015 68 V CB -0.523 31.368 31.823 0.113 0.000 0.642 68 V HN 0.419 nan 8.190 nan 0.000 0.446 69 Q N -0.683 119.185 119.800 0.114 0.000 2.096 69 Q HA -0.277 4.063 4.340 0.000 0.000 0.204 69 Q C 2.150 178.180 176.000 0.050 0.000 0.982 69 Q CA 1.970 57.810 55.803 0.063 0.000 0.850 69 Q CB -0.308 28.441 28.738 0.019 0.000 0.901 69 Q HN 0.639 nan 8.270 nan 0.000 0.422 70 D N 0.155 120.591 120.400 0.059 0.000 2.084 70 D HA -0.164 4.476 4.640 0.000 0.000 0.194 70 D C 1.933 178.279 176.300 0.076 0.000 0.990 70 D CA 1.146 55.174 54.000 0.048 0.000 0.826 70 D CB 0.093 40.926 40.800 0.056 0.000 0.971 70 D HN 0.093 nan 8.370 nan 0.000 0.453 71 Q N -0.483 119.380 119.800 0.105 0.000 2.170 71 Q HA -0.066 4.274 4.340 0.000 0.000 0.203 71 Q C 2.176 178.229 176.000 0.089 0.000 0.976 71 Q CA 0.832 56.693 55.803 0.097 0.000 0.858 71 Q CB -0.244 28.557 28.738 0.105 0.000 0.907 71 Q HN 0.498 nan 8.270 nan 0.000 0.433 72 M N -0.164 119.495 119.600 0.098 0.000 2.502 72 M HA 0.000 4.481 4.480 0.000 0.000 0.243 72 M C -0.232 176.122 176.300 0.090 0.000 1.130 72 M CA 0.128 55.488 55.300 0.100 0.000 1.055 72 M CB 0.270 32.950 32.600 0.134 0.000 1.457 72 M HN -0.024 nan 8.290 nan 0.000 0.488 73 D N 1.571 122.022 120.400 0.084 0.000 2.699 73 D HA -0.173 4.467 4.640 0.000 0.000 0.239 73 D C -0.559 175.819 176.300 0.130 0.000 1.136 73 D CA 0.635 54.699 54.000 0.106 0.000 0.668 73 D CB -1.073 39.795 40.800 0.114 0.000 1.060 73 D HN 0.408 nan 8.370 nan 0.000 0.429 74 L N 0.117 121.345 121.223 0.008 0.000 3.255 74 L HA 0.310 4.650 4.340 0.000 0.000 0.293 74 L C 1.802 178.476 176.870 -0.326 0.000 1.302 74 L CA -0.402 54.288 54.840 -0.251 0.000 0.977 74 L CB 0.085 42.067 42.059 -0.129 0.000 1.390 74 L HN 0.119 nan 8.230 nan 0.000 0.588 75 M N -0.559 118.961 119.600 -0.133 0.000 2.557 75 M HA -0.123 4.357 4.480 0.000 0.000 0.259 75 M C 1.670 177.911 176.300 -0.099 0.000 1.086 75 M CA 1.774 57.009 55.300 -0.108 0.000 1.096 75 M CB -0.160 32.401 32.600 -0.065 0.000 1.424 75 M HN 0.475 nan 8.290 nan 0.000 0.488 76 Y N -0.802 119.487 120.300 -0.019 0.000 2.482 76 Y HA 0.390 4.940 4.550 0.000 0.000 0.270 76 Y C 0.643 176.540 175.900 -0.005 0.000 1.152 76 Y CA -1.181 56.909 58.100 -0.017 0.000 1.292 76 Y CB -1.251 37.201 38.460 -0.012 0.000 1.070 76 Y HN -0.019 nan 8.280 nan 0.000 0.528 77 V N -0.521 119.122 119.914 -0.451 0.000 2.881 77 V HA 0.406 4.526 4.120 0.000 0.000 0.303 77 V C -2.408 173.622 176.094 -0.105 0.000 1.070 77 V CA -2.598 59.552 62.300 -0.250 0.000 1.074 77 V CB 0.400 32.053 31.823 -0.283 0.000 1.012 77 V HN -0.028 nan 8.190 nan 0.000 0.482 78 P HA 0.349 nan 4.420 nan 0.000 0.268 78 P C -0.799 176.398 177.300 -0.170 0.000 1.204 78 P CA 0.008 63.055 63.100 -0.087 0.000 0.768 78 P CB 0.806 32.457 31.700 -0.081 0.000 0.842 79 V N 4.046 123.851 119.914 -0.182 0.000 2.531 79 V HA 0.253 4.373 4.120 0.000 0.000 0.301 79 V C -0.076 175.769 176.094 -0.416 0.000 1.034 79 V CA -0.724 61.374 62.300 -0.337 0.000 0.865 79 V CB 2.374 34.006 31.823 -0.318 0.000 0.995 79 V HN 0.193 nan 8.190 nan 0.000 0.424 80 V N 4.679 124.273 119.914 -0.534 0.000 2.350 80 V HA 0.391 4.511 4.120 0.000 0.000 0.276 80 V C -0.522 175.381 176.094 -0.318 0.000 1.028 80 V CA -0.605 61.479 62.300 -0.360 0.000 0.860 80 V CB 0.947 32.520 31.823 -0.418 0.000 0.990 80 V HN 0.924 nan 8.190 nan 0.000 0.453 81 H N 2.229 121.285 119.070 -0.023 0.000 2.552 81 H HA 0.629 5.185 4.556 -0.000 0.000 0.311 81 H C 0.071 175.421 175.328 0.037 0.000 1.071 81 H CA -0.041 56.009 56.048 0.004 0.000 1.307 81 H CB 1.416 31.173 29.762 -0.008 0.000 1.416 81 H HN 0.588 nan 8.280 nan 0.000 0.464 82 S N 3.877 119.652 115.700 0.125 0.000 2.594 82 S HA 0.078 4.548 4.470 0.000 0.000 0.296 82 S C 0.838 175.450 174.600 0.020 0.000 1.124 82 S CA -1.025 57.216 58.200 0.067 0.000 1.011 82 S CB 0.530 63.714 63.200 -0.028 0.000 1.016 82 S HN 0.857 nan 8.310 nan 0.000 0.485 83 W N 5.724 127.042 121.300 0.030 0.000 2.341 83 W HA -0.138 4.521 4.660 -0.001 0.000 0.283 83 W C 0.902 177.384 176.519 -0.062 0.000 1.215 83 W CA 0.706 58.031 57.345 -0.033 0.000 1.211 83 W CB -0.746 28.790 29.460 0.127 0.000 1.131 83 W HN 0.713 nan 8.180 nan 0.000 0.552 84 R N 0.881 120.810 120.500 -0.951 0.000 2.241 84 R HA -0.038 4.302 4.340 0.000 0.000 0.224 84 R C 2.136 178.242 176.300 -0.324 0.000 1.101 84 R CA 1.196 56.806 56.100 -0.816 0.000 0.995 84 R CB -0.376 29.445 30.300 -0.799 0.000 0.870 84 R HN 0.307 nan 8.270 nan 0.000 0.463 85 L N 0.550 121.660 121.223 -0.188 0.000 2.592 85 L HA 0.074 4.414 4.340 0.000 0.000 0.227 85 L C -0.042 176.829 176.870 0.002 0.000 1.127 85 L CA -0.390 54.421 54.840 -0.049 0.000 0.884 85 L CB -0.142 41.926 42.059 0.014 0.000 1.065 85 L HN 0.049 nan 8.230 nan 0.000 0.457 86 N N 1.403 120.016 118.700 -0.145 0.000 2.345 86 N HA -0.069 4.671 4.740 0.000 0.000 0.243 86 N C 0.313 175.671 175.510 -0.253 0.000 1.246 86 N CA 0.231 53.053 53.050 -0.380 0.000 0.863 86 N CB 0.290 38.282 38.487 -0.824 0.000 1.096 86 N HN 0.040 nan 8.380 nan 0.000 0.446 87 E N 0.926 120.795 120.200 -0.552 0.000 2.458 87 E HA -0.129 4.221 4.350 0.000 0.000 0.264 87 E C -0.129 176.598 176.600 0.212 0.000 1.097 87 E CA -0.076 56.253 56.400 -0.119 0.000 0.973 87 E CB 0.446 30.058 29.700 -0.146 0.000 0.963 87 E HN 0.372 nan 8.360 nan 0.000 0.451 88 R N 2.850 123.486 120.500 0.227 0.000 2.537 88 R HA -0.089 4.251 4.340 0.000 0.000 0.281 88 R C -0.197 176.249 176.300 0.244 0.000 0.988 88 R CA -0.072 56.152 56.100 0.206 0.000 1.077 88 R CB 0.201 30.547 30.300 0.077 0.000 0.932 88 R HN 0.580 nan 8.270 nan 0.000 0.409 89 H N 4.342 123.419 119.070 0.012 0.000 2.899 89 H HA -0.055 4.501 4.556 0.000 0.000 0.303 89 H C -0.421 174.781 175.328 -0.210 0.000 1.042 89 H CA 0.605 56.507 56.048 -0.244 0.000 1.479 89 H CB 0.504 29.829 29.762 -0.728 0.000 1.493 89 H HN 0.683 nan 8.280 nan 0.000 0.534 90 Y N 3.712 123.937 120.300 -0.125 0.000 2.461 90 Y HA 0.076 4.627 4.550 0.001 0.000 0.277 90 Y C 1.772 177.588 175.900 -0.140 0.000 1.182 90 Y CA 0.813 58.846 58.100 -0.110 0.000 1.276 90 Y CB 0.248 38.656 38.460 -0.086 0.000 1.087 90 Y HN 1.082 nan 8.280 nan 0.000 0.519 91 G N 0.953 109.843 108.800 0.149 0.000 2.574 91 G HA2 -0.403 3.557 3.960 0.000 0.000 0.286 91 G HA3 -0.403 3.557 3.960 0.000 0.000 0.286 91 G C 1.251 176.129 174.900 -0.036 0.000 1.212 91 G CA 0.274 45.393 45.100 0.032 0.000 0.979 91 G HN 0.576 nan 8.290 nan 0.000 0.557 92 A N -0.508 122.230 122.820 -0.136 0.000 2.209 92 A HA 0.450 4.770 4.320 0.000 0.000 0.212 92 A C 2.400 179.893 177.584 -0.152 0.000 1.158 92 A CA 1.706 53.666 52.037 -0.129 0.000 0.742 92 A CB -0.324 18.582 19.000 -0.157 0.000 0.790 92 A HN 0.814 nan 8.150 nan 0.000 0.472 93 L N -0.177 120.916 121.223 -0.216 0.000 2.492 93 L HA 0.027 4.367 4.340 0.000 0.000 0.223 93 L C 0.550 177.402 176.870 -0.031 0.000 1.132 93 L CA -0.134 54.578 54.840 -0.214 0.000 0.850 93 L CB -0.323 41.425 42.059 -0.520 0.000 0.966 93 L HN 0.142 nan 8.230 nan 0.000 0.454 94 S N 0.942 116.660 115.700 0.029 0.000 2.555 94 S HA 0.272 4.742 4.470 0.000 0.000 0.293 94 S C 1.219 175.888 174.600 0.114 0.000 1.248 94 S CA 0.697 58.980 58.200 0.137 0.000 1.096 94 S CB 0.541 63.819 63.200 0.129 0.000 0.881 94 S HN 0.613 nan 8.310 nan 0.000 0.498 95 G N 2.447 111.232 108.800 -0.027 0.000 2.213 95 G HA2 -0.199 3.761 3.960 0.000 0.000 0.226 95 G HA3 -0.199 3.761 3.960 0.000 0.000 0.226 95 G C -0.020 174.614 174.900 -0.443 0.000 0.992 95 G CA -0.478 44.290 45.100 -0.554 0.000 0.632 95 G HN 0.584 nan 8.290 nan 0.000 0.511 96 L N 1.432 122.572 121.223 -0.138 0.000 2.350 96 L HA 0.345 4.685 4.340 0.000 0.000 0.275 96 L C 0.806 177.612 176.870 -0.107 0.000 1.099 96 L CA -0.867 53.948 54.840 -0.043 0.000 0.808 96 L CB 0.932 43.075 42.059 0.141 0.000 1.149 96 L HN 0.256 nan 8.230 nan 0.000 0.442 97 N N 2.592 121.205 118.700 -0.143 0.000 2.483 97 N HA -0.025 4.715 4.740 0.000 0.000 0.264 97 N C 0.619 176.041 175.510 -0.147 0.000 1.197 97 N CA 0.148 53.085 53.050 -0.188 0.000 0.927 97 N CB 1.051 39.455 38.487 -0.138 0.000 1.065 97 N HN 0.599 nan 8.380 nan 0.000 0.461 98 K N 2.976 123.170 120.400 -0.343 0.000 2.097 98 K HA -0.112 4.208 4.320 0.000 0.000 0.205 98 K C 1.740 178.311 176.600 -0.048 0.000 1.050 98 K CA 1.489 57.563 56.287 -0.355 0.000 0.938 98 K CB -0.039 32.084 32.500 -0.627 0.000 0.718 98 K HN 0.630 nan 8.250 nan 0.000 0.442 99 A N 1.829 124.611 122.820 -0.064 0.000 1.897 99 A HA -0.167 4.153 4.320 0.000 0.000 0.215 99 A C 1.877 179.474 177.584 0.023 0.000 1.181 99 A CA 1.267 53.297 52.037 -0.012 0.000 0.620 99 A CB -0.304 18.676 19.000 -0.033 0.000 0.821 99 A HN 0.268 nan 8.150 nan 0.000 0.443 100 E N -0.677 119.531 120.200 0.013 0.000 2.153 100 E HA -0.115 4.235 4.350 0.000 0.000 0.194 100 E C 1.934 178.587 176.600 0.089 0.000 0.988 100 E CA 1.467 57.883 56.400 0.028 0.000 0.811 100 E CB -0.262 29.442 29.700 0.006 0.000 0.746 100 E HN 0.596 nan 8.360 nan 0.000 0.466 101 T N 0.814 115.477 114.554 0.183 0.000 2.770 101 T HA -0.097 4.253 4.350 0.000 0.000 0.263 101 T C 2.049 176.966 174.700 0.361 0.000 1.039 101 T CA 1.157 63.479 62.100 0.370 0.000 1.142 101 T CB -0.178 69.022 68.868 0.555 0.000 0.868 101 T HN 0.239 nan 8.240 nan 0.000 0.435 102 A N 1.418 124.391 122.820 0.255 0.000 1.972 102 A HA 0.181 4.501 4.320 0.000 0.000 0.219 102 A C 2.602 180.244 177.584 0.097 0.000 1.169 102 A CA 1.747 53.889 52.037 0.176 0.000 0.635 102 A CB -1.000 18.076 19.000 0.126 0.000 0.810 102 A HN 0.496 nan 8.150 nan 0.000 0.446 103 A N -0.374 122.483 122.820 0.062 0.000 1.902 103 A HA -0.153 4.167 4.320 0.000 0.000 0.217 103 A C 2.141 179.705 177.584 -0.033 0.000 1.181 103 A CA 1.956 53.999 52.037 0.011 0.000 0.623 103 A CB -0.371 18.628 19.000 -0.001 0.000 0.818 103 A HN 0.541 nan 8.150 nan 0.000 0.443 104 K N -1.893 118.463 120.400 -0.075 0.000 2.021 104 K HA -0.083 4.237 4.320 0.000 0.000 0.205 104 K C 1.563 177.972 176.600 -0.318 0.000 1.047 104 K CA 1.508 57.630 56.287 -0.275 0.000 0.943 104 K CB -0.196 32.003 32.500 -0.502 0.000 0.725 104 K HN 0.533 nan 8.250 nan 0.000 0.439 105 Y N -0.369 119.976 120.300 0.075 0.000 2.497 105 Y HA 0.268 4.818 4.550 0.000 0.000 0.265 105 Y C 0.709 176.581 175.900 -0.047 0.000 1.111 105 Y CA 0.383 58.503 58.100 0.033 0.000 1.288 105 Y CB 0.942 39.448 38.460 0.077 0.000 1.082 105 Y HN 0.283 nan 8.280 nan 0.000 0.536 106 G N 0.409 109.260 108.800 0.084 0.000 2.712 106 G HA2 -0.204 3.756 3.960 0.000 0.000 0.686 106 G HA3 -0.204 3.756 3.960 0.000 0.000 0.686 106 G C -0.296 174.605 174.900 0.003 0.000 1.181 106 G CA -0.354 44.759 45.100 0.022 0.000 0.762 106 G HN 0.095 nan 8.290 nan 0.000 0.641 107 D N 0.868 121.270 120.400 0.004 0.000 2.182 107 D HA -0.061 4.579 4.640 0.000 0.000 0.201 107 D C 2.233 178.511 176.300 -0.037 0.000 0.986 107 D CA 1.861 55.863 54.000 0.003 0.000 0.847 107 D CB 0.121 40.926 40.800 0.010 0.000 0.942 107 D HN 0.658 nan 8.370 nan 0.000 0.467 108 E N 0.249 120.412 120.200 -0.062 0.000 2.047 108 E HA -0.177 4.173 4.350 0.000 0.000 0.191 108 E C 1.970 178.459 176.600 -0.185 0.000 0.987 108 E CA 0.865 57.211 56.400 -0.091 0.000 0.799 108 E CB -0.208 29.447 29.700 -0.074 0.000 0.752 108 E HN 0.116 nan 8.360 nan 0.000 0.449 109 Q N 0.464 120.102 119.800 -0.270 0.000 2.084 109 Q HA -0.088 4.252 4.340 0.000 0.000 0.202 109 Q C 1.954 177.443 176.000 -0.850 0.000 0.978 109 Q CA 1.308 56.759 55.803 -0.587 0.000 0.844 109 Q CB -0.168 28.209 28.738 -0.602 0.000 0.898 109 Q HN 0.200 nan 8.270 nan 0.000 0.426 110 V N 0.572 120.225 119.914 -0.435 0.000 2.548 110 V HA -0.167 3.953 4.120 0.000 0.000 0.249 110 V C 2.184 178.280 176.094 0.004 0.000 1.055 110 V CA 1.249 63.477 62.300 -0.120 0.000 1.065 110 V CB -0.624 31.301 31.823 0.170 0.000 0.681 110 V HN 0.379 nan 8.190 nan 0.000 0.462 111 L N 0.089 121.284 121.223 -0.046 0.000 2.042 111 L HA -0.143 4.197 4.340 0.000 0.000 0.210 111 L C 2.347 179.217 176.870 -0.000 0.000 1.076 111 L CA 1.927 56.771 54.840 0.007 0.000 0.749 111 L CB -0.400 41.650 42.059 -0.015 0.000 0.893 111 L HN 0.134 nan 8.230 nan 0.000 0.432 112 V N -1.370 118.478 119.914 -0.110 0.000 2.261 112 V HA -0.266 3.854 4.120 0.000 0.000 0.246 112 V C 2.264 178.388 176.094 0.049 0.000 1.047 112 V CA 1.925 64.175 62.300 -0.083 0.000 1.015 112 V CB -0.935 30.767 31.823 -0.202 0.000 0.642 112 V HN 0.555 nan 8.190 nan 0.000 0.446 113 W N 0.701 121.992 121.300 -0.015 0.000 2.374 113 W HA -0.055 4.604 4.660 -0.002 0.000 0.288 113 W C 2.629 179.141 176.519 -0.011 0.000 1.218 113 W CA 0.963 58.273 57.345 -0.058 0.000 1.245 113 W CB -0.847 28.555 29.460 -0.097 0.000 1.126 113 W HN 0.273 nan 8.180 nan 0.000 0.545 114 R N -0.394 120.290 120.500 0.307 0.000 2.140 114 R HA 0.052 4.392 4.340 0.000 0.000 0.213 114 R C 1.983 178.402 176.300 0.198 0.000 1.059 114 R CA 0.792 57.081 56.100 0.315 0.000 1.000 114 R CB -0.125 30.390 30.300 0.358 0.000 0.910 114 R HN 0.116 nan 8.270 nan 0.000 0.455 115 R N -0.489 120.099 120.500 0.146 0.000 2.469 115 R HA 0.163 4.503 4.340 0.000 0.000 0.250 115 R C 0.353 176.720 176.300 0.111 0.000 0.909 115 R CA -0.064 56.109 56.100 0.121 0.000 1.050 115 R CB 0.943 31.302 30.300 0.100 0.000 1.256 115 R HN -0.108 nan 8.270 nan 0.000 0.550 116 S N 0.819 116.574 115.700 0.091 0.000 2.481 116 S HA -0.052 4.418 4.470 0.000 0.000 0.282 116 S C 0.794 175.458 174.600 0.107 0.000 1.243 116 S CA -0.395 57.858 58.200 0.088 0.000 1.078 116 S CB 0.228 63.461 63.200 0.056 0.000 0.916 116 S HN 0.298 nan 8.310 nan 0.000 0.495 117 Y N 4.586 124.891 120.300 0.008 0.000 2.207 117 Y HA -0.140 4.409 4.550 -0.002 0.000 0.287 117 Y C 1.745 177.640 175.900 -0.008 0.000 1.156 117 Y CA 2.428 60.529 58.100 0.001 0.000 1.182 117 Y CB 0.102 38.563 38.460 0.003 0.000 0.979 117 Y HN 0.829 nan 8.280 nan 0.000 0.521 118 D N -2.548 117.837 120.400 -0.025 0.000 2.469 118 D HA 0.119 4.759 4.640 0.000 0.000 0.215 118 D C -0.373 175.886 176.300 -0.068 0.000 1.154 118 D CA 0.109 54.048 54.000 -0.101 0.000 0.832 118 D CB -0.407 40.394 40.800 0.002 0.000 1.008 118 D HN 0.095 nan 8.370 nan 0.000 0.506 119 T N 3.012 117.542 114.554 -0.040 0.000 2.815 119 T HA 0.467 4.818 4.350 0.000 0.000 0.289 119 T C -2.712 171.972 174.700 -0.027 0.000 1.000 119 T CA -1.186 60.903 62.100 -0.019 0.000 0.958 119 T CB 2.522 71.403 68.868 0.023 0.000 0.944 119 T HN 0.002 nan 8.240 nan 0.000 0.442 120 P HA 0.451 nan 4.420 nan 0.000 0.278 120 P C -2.763 174.466 177.300 -0.117 0.000 1.258 120 P CA -1.962 61.062 63.100 -0.126 0.000 0.811 120 P CB -0.156 31.445 31.700 -0.165 0.000 1.063 121 P HA 0.193 nan 4.420 nan 0.000 0.271 121 P C -2.270 174.755 177.300 -0.457 0.000 1.244 121 P CA -1.319 61.453 63.100 -0.545 0.000 0.793 121 P CB -1.537 29.790 31.700 -0.622 0.000 0.984 122 P HA 0.058 nan 4.420 nan 0.000 0.266 122 P C -0.589 176.537 177.300 -0.290 0.000 1.195 122 P CA 0.266 63.144 63.100 -0.371 0.000 0.768 122 P CB 0.152 31.603 31.700 -0.416 0.000 0.838 123 A N 4.332 127.029 122.820 -0.205 0.000 2.351 123 A HA 0.312 4.632 4.320 0.000 0.000 0.257 123 A C 0.508 178.008 177.584 -0.140 0.000 1.087 123 A CA -0.612 51.317 52.037 -0.180 0.000 0.798 123 A CB -0.239 18.666 19.000 -0.160 0.000 1.033 123 A HN 0.552 nan 8.150 nan 0.000 0.488 124 L N 1.895 123.046 121.223 -0.119 0.000 2.485 124 L HA 0.061 4.401 4.340 0.000 0.000 0.275 124 L C 0.560 177.391 176.870 -0.064 0.000 1.207 124 L CA -0.330 54.467 54.840 -0.073 0.000 0.855 124 L CB 0.165 42.194 42.059 -0.051 0.000 1.114 124 L HN 0.659 nan 8.230 nan 0.000 0.485 125 E N 3.764 123.943 120.200 -0.036 0.000 2.413 125 E HA -0.012 4.338 4.350 0.000 0.000 0.263 125 E C -1.525 175.083 176.600 0.015 0.000 1.015 125 E CA -1.561 54.830 56.400 -0.015 0.000 0.916 125 E CB 0.258 29.954 29.700 -0.005 0.000 0.947 125 E HN 0.360 nan 8.360 nan 0.000 0.440 126 P HA -0.109 nan 4.420 nan 0.000 0.218 126 P C 1.015 178.396 177.300 0.135 0.000 1.148 126 P CA 1.392 64.568 63.100 0.126 0.000 0.822 126 P CB 0.247 31.983 31.700 0.060 0.000 0.784 127 G N -1.279 107.561 108.800 0.066 0.000 3.141 127 G HA2 -0.054 3.906 3.960 0.000 0.000 0.218 127 G HA3 -0.054 3.906 3.960 0.000 0.000 0.218 127 G C 0.294 175.225 174.900 0.052 0.000 1.170 127 G CA -0.144 44.992 45.100 0.059 0.000 0.769 127 G HN 0.198 nan 8.290 nan 0.000 0.546 128 D N 0.109 120.535 120.400 0.045 0.000 2.423 128 D HA 0.227 4.867 4.640 0.000 0.000 0.238 128 D C 1.621 177.948 176.300 0.044 0.000 1.142 128 D CA 0.614 54.634 54.000 0.035 0.000 0.884 128 D CB 1.055 41.868 40.800 0.022 0.000 1.199 128 D HN 0.259 nan 8.370 nan 0.000 0.438 129 E N 3.546 123.772 120.200 0.044 0.000 2.204 129 E HA -0.199 4.151 4.350 0.000 0.000 0.195 129 E C 1.982 178.614 176.600 0.053 0.000 0.990 129 E CA 1.225 57.655 56.400 0.049 0.000 0.821 129 E CB -0.426 29.303 29.700 0.048 0.000 0.750 129 E HN 0.578 nan 8.360 nan 0.000 0.477 130 R N -0.163 120.369 120.500 0.053 0.000 2.313 130 R HA 0.376 4.716 4.340 0.000 0.000 0.199 130 R C 1.326 177.651 176.300 0.042 0.000 0.958 130 R CA 0.244 56.380 56.100 0.060 0.000 1.047 130 R CB -0.015 30.327 30.300 0.069 0.000 0.955 130 R HN 0.398 nan 8.270 nan 0.000 0.481 131 A N 2.452 125.272 122.820 0.000 0.000 2.425 131 A HA 0.159 4.479 4.320 0.000 0.000 0.242 131 A C -1.473 176.024 177.584 -0.144 0.000 1.077 131 A CA -0.980 50.983 52.037 -0.123 0.000 0.781 131 A CB 0.067 19.006 19.000 -0.101 0.000 1.020 131 A HN 0.037 nan 8.150 nan 0.000 0.494 132 P HA 0.056 nan 4.420 nan 0.000 0.261 132 P C 0.196 177.480 177.300 -0.028 0.000 1.268 132 P CA 0.630 63.660 63.100 -0.117 0.000 0.833 132 P CB 0.040 31.579 31.700 -0.269 0.000 1.231 133 Y N 1.016 121.358 120.300 0.070 0.000 2.373 133 Y HA 0.109 4.659 4.550 -0.001 0.000 0.293 133 Y C 2.526 178.457 175.900 0.052 0.000 1.129 133 Y CA 1.011 59.135 58.100 0.040 0.000 1.226 133 Y CB -1.233 37.225 38.460 -0.003 0.000 1.000 133 Y HN -0.007 nan 8.280 nan 0.000 0.549 134 A N -1.003 121.930 122.820 0.188 0.000 2.345 134 A HA 0.055 4.375 4.320 0.000 0.000 0.225 134 A C 0.220 177.852 177.584 0.080 0.000 1.243 134 A CA -0.108 51.998 52.037 0.114 0.000 0.875 134 A CB -0.216 18.837 19.000 0.089 0.000 0.929 134 A HN 0.118 nan 8.150 nan 0.000 0.502 135 D N 0.873 121.338 120.400 0.108 0.000 2.295 135 D HA 0.204 4.844 4.640 0.000 0.000 0.248 135 D C -1.544 174.721 176.300 -0.058 0.000 1.154 135 D CA -1.785 52.238 54.000 0.038 0.000 0.857 135 D CB 1.577 42.449 40.800 0.121 0.000 1.117 135 D HN 0.046 nan 8.370 nan 0.000 0.468 136 P HA -0.121 nan 4.420 nan 0.000 0.221 136 P C 1.091 178.264 177.300 -0.212 0.000 1.145 136 P CA 0.716 63.748 63.100 -0.113 0.000 0.795 136 P CB 0.384 32.030 31.700 -0.091 0.000 0.775 137 R N -1.059 119.196 120.500 -0.408 0.000 2.127 137 R HA -0.133 4.207 4.340 0.000 0.000 0.238 137 R C 1.166 177.103 176.300 -0.605 0.000 1.134 137 R CA 1.328 57.049 56.100 -0.631 0.000 0.975 137 R CB -0.559 29.088 30.300 -1.088 0.000 0.865 137 R HN 0.341 nan 8.270 nan 0.000 0.447 138 Y N -1.508 118.750 120.300 -0.070 0.000 2.636 138 Y HA 0.403 4.954 4.550 0.001 0.000 0.260 138 Y C 1.435 177.260 175.900 -0.125 0.000 1.177 138 Y CA -0.634 57.374 58.100 -0.154 0.000 1.209 138 Y CB -0.032 38.353 38.460 -0.126 0.000 1.166 138 Y HN -0.018 nan 8.280 nan 0.000 0.531 139 A N 0.599 123.416 122.820 -0.005 0.000 2.070 139 A HA -0.120 4.200 4.320 0.000 0.000 0.220 139 A C 1.956 179.539 177.584 -0.002 0.000 1.159 139 A CA 1.391 53.430 52.037 0.004 0.000 0.656 139 A CB -0.164 18.828 19.000 -0.012 0.000 0.800 139 A HN 0.305 nan 8.150 nan 0.000 0.453 140 K N -0.494 119.898 120.400 -0.013 0.000 2.358 140 K HA 0.252 4.572 4.320 0.000 0.000 0.200 140 K C -0.566 176.021 176.600 -0.022 0.000 1.030 140 K CA -0.088 56.198 56.287 -0.002 0.000 1.097 140 K CB 0.844 33.358 32.500 0.023 0.000 0.862 140 K HN 0.247 nan 8.250 nan 0.000 0.534 141 V N 4.038 123.891 119.914 -0.102 0.000 2.461 141 V HA 0.135 4.255 4.120 0.000 0.000 0.275 141 V C -2.224 173.803 176.094 -0.112 0.000 1.047 141 V CA -1.880 60.295 62.300 -0.209 0.000 0.955 141 V CB 0.719 32.181 31.823 -0.603 0.000 0.988 141 V HN 0.058 nan 8.190 nan 0.000 0.471 142 P HA 0.175 nan 4.420 nan 0.000 0.265 142 P C 0.808 178.089 177.300 -0.031 0.000 1.193 142 P CA -0.027 63.058 63.100 -0.026 0.000 0.765 142 P CB 0.541 32.241 31.700 0.000 0.000 0.823 143 R N 2.493 122.991 120.500 -0.004 0.000 2.117 143 R HA -0.201 4.139 4.340 0.000 0.000 0.243 143 R C 2.024 178.349 176.300 0.042 0.000 1.143 143 R CA 1.654 57.781 56.100 0.044 0.000 0.968 143 R CB -0.190 30.088 30.300 -0.037 0.000 0.863 143 R HN 0.645 nan 8.270 nan 0.000 0.444 144 E N 0.614 120.813 120.200 -0.003 0.000 2.153 144 E HA -0.251 4.099 4.350 0.000 0.000 0.194 144 E C 1.307 177.901 176.600 -0.009 0.000 0.988 144 E CA 1.326 57.722 56.400 -0.008 0.000 0.811 144 E CB -0.261 29.432 29.700 -0.012 0.000 0.746 144 E HN 0.523 nan 8.360 nan 0.000 0.466 145 Q N 0.354 120.147 119.800 -0.012 0.000 2.451 145 Q HA 0.213 4.553 4.340 0.000 0.000 0.206 145 Q C 0.534 176.501 176.000 -0.056 0.000 0.947 145 Q CA -0.008 55.800 55.803 0.008 0.000 0.937 145 Q CB 0.315 29.094 28.738 0.068 0.000 1.025 145 Q HN 0.267 nan 8.270 nan 0.000 0.511 146 L N 3.842 124.990 121.223 -0.126 0.000 2.319 146 L HA 0.261 4.601 4.340 0.000 0.000 0.280 146 L C -1.993 174.668 176.870 -0.349 0.000 1.099 146 L CA -1.791 52.893 54.840 -0.260 0.000 0.828 146 L CB 0.417 42.316 42.059 -0.266 0.000 1.150 146 L HN -0.065 nan 8.230 nan 0.000 0.442 147 P HA 0.188 nan 4.420 nan 0.000 0.282 147 P C 0.046 176.739 177.300 -1.013 0.000 1.249 147 P CA -0.460 62.225 63.100 -0.692 0.000 0.806 147 P CB 1.694 32.948 31.700 -0.744 0.000 0.984 148 L N 0.210 120.968 121.223 -0.775 0.000 2.693 148 L HA 0.259 4.599 4.340 0.000 0.000 0.235 148 L C 1.029 177.462 176.870 -0.728 0.000 1.127 148 L CA 0.485 54.887 54.840 -0.730 0.000 0.914 148 L CB 0.367 42.224 42.059 -0.338 0.000 1.193 148 L HN 0.526 nan 8.230 nan 0.000 0.502 149 T N -0.608 113.499 114.554 -0.745 0.000 2.770 149 T HA 0.317 4.667 4.350 0.000 0.000 0.323 149 T C -1.913 172.571 174.700 -0.360 0.000 1.683 149 T CA -0.510 61.344 62.100 -0.410 0.000 1.024 149 T CB 1.756 70.459 68.868 -0.275 0.000 1.557 149 T HN 0.086 nan 8.240 nan 0.000 0.494 150 E N 0.845 120.893 120.200 -0.254 0.000 2.321 150 E HA 0.517 4.867 4.350 0.000 0.000 0.278 150 E C -0.703 175.758 176.600 -0.232 0.000 0.902 150 E CA -0.952 55.318 56.400 -0.217 0.000 0.758 150 E CB 1.693 31.306 29.700 -0.145 0.000 1.213 150 E HN 0.931 nan 8.360 nan 0.000 0.426 151 C N 0.909 120.084 119.300 -0.209 0.000 2.335 151 C HA 0.451 4.911 4.460 0.000 0.000 0.363 151 C C 1.777 176.626 174.990 -0.235 0.000 1.198 151 C CA -0.801 58.088 59.018 -0.216 0.000 2.279 151 C CB 0.061 27.677 27.740 -0.208 0.000 2.334 151 C HN 0.984 nan 8.230 nan 0.000 0.559 152 L N 1.364 122.446 121.223 -0.234 0.000 2.079 152 L HA -0.106 4.234 4.340 0.000 0.000 0.210 152 L C 2.656 179.298 176.870 -0.379 0.000 1.081 152 L CA 2.019 56.745 54.840 -0.190 0.000 0.752 152 L CB -0.936 41.131 42.059 0.013 0.000 0.896 152 L HN 0.950 nan 8.230 nan 0.000 0.433 153 K N -0.648 119.248 120.400 -0.839 0.000 2.074 153 K HA -0.230 4.091 4.320 0.000 0.000 0.209 153 K C 1.743 178.169 176.600 -0.290 0.000 1.048 153 K CA 1.928 57.762 56.287 -0.754 0.000 0.926 153 K CB -0.185 31.863 32.500 -0.755 0.000 0.713 153 K HN 0.446 nan 8.250 nan 0.000 0.444 154 D N -0.210 120.051 120.400 -0.232 0.000 2.097 154 D HA -0.128 4.512 4.640 0.000 0.000 0.195 154 D C 1.849 178.104 176.300 -0.075 0.000 0.989 154 D CA 1.613 55.537 54.000 -0.127 0.000 0.827 154 D CB -0.439 40.286 40.800 -0.126 0.000 0.966 154 D HN 0.295 nan 8.370 nan 0.000 0.456 155 T N 1.033 115.544 114.554 -0.072 0.000 2.708 155 T HA -0.106 4.244 4.350 0.000 0.000 0.266 155 T C 2.339 177.023 174.700 -0.025 0.000 1.037 155 T CA 0.827 62.920 62.100 -0.013 0.000 1.146 155 T CB -0.486 68.387 68.868 0.009 0.000 0.865 155 T HN -0.036 nan 8.240 nan 0.000 0.435 156 V N 1.925 121.821 119.914 -0.031 0.000 2.252 156 V HA -0.251 3.869 4.120 0.000 0.000 0.249 156 V C 2.936 179.000 176.094 -0.049 0.000 1.056 156 V CA 1.918 64.205 62.300 -0.021 0.000 1.022 156 V CB -1.288 30.568 31.823 0.055 0.000 0.641 156 V HN 0.573 nan 8.190 nan 0.000 0.445 157 A N 0.244 123.038 122.820 -0.043 0.000 1.978 157 A HA -0.271 4.049 4.320 0.000 0.000 0.220 157 A C 2.386 179.942 177.584 -0.046 0.000 1.170 157 A CA 2.154 54.169 52.037 -0.038 0.000 0.636 157 A CB -0.567 18.418 19.000 -0.026 0.000 0.810 157 A HN 0.629 nan 8.150 nan 0.000 0.448 158 R N -0.666 119.807 120.500 -0.046 0.000 2.153 158 R HA 0.018 4.358 4.340 0.000 0.000 0.218 158 R C 1.470 177.657 176.300 -0.188 0.000 1.072 158 R CA 1.499 57.550 56.100 -0.082 0.000 0.990 158 R CB -0.302 29.997 30.300 -0.003 0.000 0.889 158 R HN 0.234 nan 8.270 nan 0.000 0.452 159 V N 1.263 121.090 119.914 -0.146 0.000 2.446 159 V HA -0.115 4.005 4.120 0.000 0.000 0.244 159 V C 2.355 178.352 176.094 -0.161 0.000 1.039 159 V CA 1.169 63.369 62.300 -0.166 0.000 1.045 159 V CB -0.301 31.448 31.823 -0.122 0.000 0.681 159 V HN 0.294 nan 8.190 nan 0.000 0.459 160 L N 0.013 121.136 121.223 -0.167 0.000 2.127 160 L HA -0.126 4.214 4.340 0.000 0.000 0.211 160 L C -0.084 176.715 176.870 -0.118 0.000 1.089 160 L CA 1.660 56.378 54.840 -0.204 0.000 0.757 160 L CB -1.780 40.111 42.059 -0.281 0.000 0.899 160 L HN 0.374 nan 8.230 nan 0.000 0.434 161 P HA -0.195 nan 4.420 nan 0.000 0.218 161 P C 1.744 178.993 177.300 -0.084 0.000 1.148 161 P CA 1.064 64.119 63.100 -0.075 0.000 0.822 161 P CB 0.081 31.742 31.700 -0.064 0.000 0.784 162 L N -1.154 120.000 121.223 -0.116 0.000 2.083 162 L HA -0.098 4.242 4.340 0.000 0.000 0.209 162 L C 2.176 178.965 176.870 -0.134 0.000 1.083 162 L CA 1.671 56.436 54.840 -0.126 0.000 0.752 162 L CB -1.341 40.623 42.059 -0.158 0.000 0.899 162 L HN 0.090 nan 8.230 nan 0.000 0.433 163 W N 0.425 121.559 121.300 -0.278 0.000 2.354 163 W HA -0.241 4.419 4.660 0.001 0.000 0.315 163 W C 2.127 178.516 176.519 -0.216 0.000 1.206 163 W CA 1.713 58.885 57.345 -0.287 0.000 1.290 163 W CB -0.386 28.880 29.460 -0.324 0.000 1.152 163 W HN 0.300 nan 8.180 nan 0.000 0.489 164 N N 0.764 119.416 118.700 -0.080 0.000 2.104 164 N HA -0.197 4.543 4.740 0.000 0.000 0.190 164 N C 1.511 176.917 175.510 -0.173 0.000 1.024 164 N CA 2.170 55.150 53.050 -0.117 0.000 0.853 164 N CB -0.746 37.729 38.487 -0.021 0.000 1.008 164 N HN 0.452 nan 8.380 nan 0.000 0.424 165 E N -0.717 119.400 120.200 -0.139 0.000 2.250 165 E HA 0.065 4.415 4.350 0.000 0.000 0.192 165 E C 1.385 177.912 176.600 -0.121 0.000 0.986 165 E CA 0.528 56.867 56.400 -0.101 0.000 0.849 165 E CB 0.297 29.965 29.700 -0.053 0.000 0.797 165 E HN 0.141 nan 8.360 nan 0.000 0.482 166 S N -0.787 114.805 115.700 -0.180 0.000 3.325 166 S HA 0.139 4.609 4.470 0.000 0.000 0.254 166 S C 1.671 176.115 174.600 -0.259 0.000 1.084 166 S CA -0.312 57.812 58.200 -0.127 0.000 0.786 166 S CB -0.012 63.202 63.200 0.024 0.000 0.849 166 S HN 0.055 nan 8.310 nan 0.000 0.483 167 I N 2.498 122.740 120.570 -0.546 0.000 2.233 167 I HA 0.004 4.175 4.170 0.000 0.000 0.243 167 I C 2.816 178.398 176.117 -0.892 0.000 1.093 167 I CA 1.232 62.060 61.300 -0.786 0.000 1.380 167 I CB -0.483 36.983 38.000 -0.890 0.000 1.067 167 I HN 0.395 nan 8.210 nan 0.000 0.413 168 A N 1.515 123.556 122.820 -1.298 0.000 1.877 168 A HA -0.106 4.215 4.320 0.000 0.000 0.216 168 A C 0.065 177.305 177.584 -0.574 0.000 1.186 168 A CA 1.734 53.060 52.037 -1.186 0.000 0.620 168 A CB -1.958 16.343 19.000 -1.165 0.000 0.822 168 A HN 0.264 nan 8.150 nan 0.000 0.443 169 P HA -0.120 nan 4.420 nan 0.000 0.216 169 P C 1.730 178.916 177.300 -0.190 0.000 1.150 169 P CA 1.866 64.826 63.100 -0.234 0.000 0.837 169 P CB -0.149 31.452 31.700 -0.165 0.000 0.786 170 A N -0.407 122.302 122.820 -0.185 0.000 1.865 170 A HA -0.203 4.117 4.320 0.000 0.000 0.217 170 A C 2.356 179.860 177.584 -0.133 0.000 1.191 170 A CA 2.297 54.277 52.037 -0.095 0.000 0.623 170 A CB -1.781 17.227 19.000 0.013 0.000 0.826 170 A HN 0.041 nan 8.150 nan 0.000 0.444 171 V N 0.164 119.926 119.914 -0.252 0.000 2.295 171 V HA -0.284 3.836 4.120 0.000 0.000 0.246 171 V C 2.428 178.231 176.094 -0.486 0.000 1.049 171 V CA 2.378 64.484 62.300 -0.323 0.000 1.024 171 V CB -0.748 30.833 31.823 -0.404 0.000 0.648 171 V HN 0.537 nan 8.190 nan 0.000 0.447 172 K N 0.285 120.412 120.400 -0.455 0.000 2.209 172 K HA -0.081 4.239 4.320 0.000 0.000 0.204 172 K C 2.001 178.551 176.600 -0.083 0.000 1.048 172 K CA 1.348 57.442 56.287 -0.321 0.000 0.940 172 K CB -0.312 32.074 32.500 -0.191 0.000 0.729 172 K HN 0.493 nan 8.250 nan 0.000 0.451 173 A N 0.294 123.071 122.820 -0.072 0.000 2.235 173 A HA 0.152 4.472 4.320 0.000 0.000 0.208 173 A C 1.351 178.963 177.584 0.045 0.000 1.172 173 A CA 0.892 52.928 52.037 -0.002 0.000 0.786 173 A CB -0.290 18.702 19.000 -0.013 0.000 0.804 173 A HN 0.418 nan 8.150 nan 0.000 0.479 174 G N -0.730 108.113 108.800 0.072 0.000 2.141 174 G HA2 -0.248 3.712 3.960 0.000 0.000 0.242 174 G HA3 -0.248 3.712 3.960 0.000 0.000 0.242 174 G C 0.119 175.085 174.900 0.109 0.000 0.982 174 G CA 0.329 45.515 45.100 0.143 0.000 0.662 174 G HN 0.570 nan 8.290 nan 0.000 0.527 175 K N 0.629 121.073 120.400 0.073 0.000 2.350 175 K HA 0.377 4.697 4.320 0.000 0.000 0.279 175 K C 0.611 177.289 176.600 0.130 0.000 1.027 175 K CA 0.081 56.420 56.287 0.087 0.000 0.969 175 K CB 0.519 33.057 32.500 0.064 0.000 0.954 175 K HN 0.405 nan 8.250 nan 0.000 0.474 176 Q N 2.031 121.932 119.800 0.168 0.000 2.337 176 Q HA 0.206 4.547 4.340 0.000 0.000 0.255 176 Q C -0.818 175.403 176.000 0.367 0.000 0.997 176 Q CA -0.488 55.465 55.803 0.250 0.000 0.925 176 Q CB 1.129 29.983 28.738 0.192 0.000 1.212 176 Q HN 0.254 nan 8.270 nan 0.000 0.436 177 V N 3.992 124.110 119.914 0.340 0.000 2.483 177 V HA 0.391 4.511 4.120 0.000 0.000 0.295 177 V C -0.572 175.599 176.094 0.127 0.000 1.035 177 V CA -0.833 61.611 62.300 0.240 0.000 0.896 177 V CB 1.462 33.399 31.823 0.191 0.000 0.986 177 V HN 0.548 nan 8.190 nan 0.000 0.447 178 L N 6.416 127.502 121.223 -0.227 0.000 2.346 178 L HA 0.695 5.035 4.340 0.000 0.000 0.276 178 L C -0.732 176.033 176.870 -0.175 0.000 1.006 178 L CA 0.044 54.569 54.840 -0.525 0.000 0.817 178 L CB 1.493 42.760 42.059 -1.321 0.000 1.272 178 L HN 0.558 nan 8.230 nan 0.000 0.421 179 I N 5.134 125.644 120.570 -0.099 0.000 2.382 179 I HA 0.598 4.768 4.170 0.000 0.000 0.286 179 I C -0.313 175.768 176.117 -0.059 0.000 1.002 179 I CA -0.605 60.682 61.300 -0.021 0.000 1.135 179 I CB 1.806 39.810 38.000 0.006 0.000 1.288 179 I HN 0.784 nan 8.210 nan 0.000 0.448 180 A N 5.493 128.274 122.820 -0.064 0.000 2.273 180 A HA 0.904 5.224 4.320 0.000 0.000 0.320 180 A C -0.086 177.445 177.584 -0.089 0.000 1.358 180 A CA -0.074 51.916 52.037 -0.078 0.000 0.910 180 A CB 0.725 19.675 19.000 -0.083 0.000 1.159 180 A HN 0.862 nan 8.150 nan 0.000 0.526 181 A N 2.467 125.220 122.820 -0.111 0.000 4.106 181 A HA 0.884 5.205 4.320 0.000 0.000 0.175 181 A C -0.433 176.972 177.584 -0.298 0.000 0.668 181 A CA -0.442 51.512 52.037 -0.139 0.000 0.819 181 A CB 0.714 19.740 19.000 0.044 0.000 1.738 181 A HN 0.804 nan 8.150 nan 0.000 0.848 182 H N -1.629 117.489 119.070 0.081 0.000 2.894 182 H HA 0.428 4.984 4.556 0.000 0.000 0.368 182 H C 1.292 176.656 175.328 0.061 0.000 1.181 182 H CA -0.227 55.898 56.048 0.129 0.000 1.146 182 H CB 1.629 31.500 29.762 0.183 0.000 1.839 182 H HN 0.814 nan 8.280 nan 0.000 0.557 183 G N 0.708 109.614 108.800 0.177 0.000 2.553 183 G HA2 -0.313 3.647 3.960 0.000 0.000 0.218 183 G HA3 -0.313 3.647 3.960 0.000 0.000 0.218 183 G C 1.153 176.134 174.900 0.135 0.000 1.195 183 G CA 0.807 45.977 45.100 0.118 0.000 0.779 183 G HN 0.524 nan 8.290 nan 0.000 0.577 184 N N 0.640 119.445 118.700 0.175 0.000 2.354 184 N HA -0.067 4.673 4.740 0.000 0.000 0.179 184 N C 2.636 178.208 175.510 0.104 0.000 1.021 184 N CA 1.321 54.456 53.050 0.141 0.000 0.887 184 N CB -0.121 38.460 38.487 0.157 0.000 0.974 184 N HN 0.466 nan 8.380 nan 0.000 0.437 185 S N 0.796 116.567 115.700 0.119 0.000 2.387 185 S HA 0.038 4.508 4.470 0.000 0.000 0.226 185 S C 2.119 176.734 174.600 0.025 0.000 1.026 185 S CA 0.456 58.698 58.200 0.070 0.000 0.972 185 S CB -0.523 62.735 63.200 0.095 0.000 0.814 185 S HN 0.175 nan 8.310 nan 0.000 0.477 186 L N 0.902 122.148 121.223 0.037 0.000 2.072 186 L HA 0.040 4.380 4.340 0.000 0.000 0.205 186 L C 3.119 179.968 176.870 -0.034 0.000 1.079 186 L CA 1.020 55.851 54.840 -0.015 0.000 0.752 186 L CB -0.450 41.611 42.059 0.003 0.000 0.906 186 L HN 0.266 nan 8.230 nan 0.000 0.436 187 R N 0.184 120.691 120.500 0.012 0.000 2.091 187 R HA -0.173 4.167 4.340 0.000 0.000 0.238 187 R C 2.401 178.698 176.300 -0.004 0.000 1.136 187 R CA 1.415 57.523 56.100 0.012 0.000 0.959 187 R CB -0.544 29.791 30.300 0.059 0.000 0.856 187 R HN 0.356 nan 8.270 nan 0.000 0.437 188 A N 1.253 124.077 122.820 0.006 0.000 1.908 188 A HA -0.174 4.146 4.320 0.000 0.000 0.218 188 A C 2.112 179.654 177.584 -0.069 0.000 1.181 188 A CA 1.149 53.185 52.037 -0.001 0.000 0.627 188 A CB -0.449 18.547 19.000 -0.007 0.000 0.818 188 A HN 0.208 nan 8.150 nan 0.000 0.445 189 L N -0.220 120.924 121.223 -0.132 0.000 2.056 189 L HA -0.031 4.309 4.340 0.000 0.000 0.207 189 L C 2.255 178.953 176.870 -0.287 0.000 1.078 189 L CA 1.552 56.242 54.840 -0.250 0.000 0.749 189 L CB -0.375 41.514 42.059 -0.284 0.000 0.901 189 L HN 0.434 nan 8.230 nan 0.000 0.433 190 I N -0.669 119.746 120.570 -0.259 0.000 2.286 190 I HA -0.317 3.853 4.170 0.000 0.000 0.248 190 I C 2.523 178.532 176.117 -0.181 0.000 1.115 190 I CA 1.273 62.399 61.300 -0.290 0.000 1.392 190 I CB -0.387 37.493 38.000 -0.199 0.000 1.065 190 I HN 0.295 nan 8.210 nan 0.000 0.418 191 K N 0.587 120.927 120.400 -0.101 0.000 2.032 191 K HA -0.279 4.041 4.320 0.000 0.000 0.209 191 K C 2.388 178.952 176.600 -0.060 0.000 1.048 191 K CA 1.920 58.170 56.287 -0.062 0.000 0.927 191 K CB -0.304 32.188 32.500 -0.014 0.000 0.712 191 K HN 0.267 nan 8.250 nan 0.000 0.441 192 Y N 1.326 121.506 120.300 -0.200 0.000 2.163 192 Y HA -0.157 4.393 4.550 -0.001 0.000 0.288 192 Y C 1.794 177.540 175.900 -0.257 0.000 1.136 192 Y CA 1.402 59.368 58.100 -0.222 0.000 1.147 192 Y CB -0.214 38.071 38.460 -0.293 0.000 0.987 192 Y HN -0.000 nan 8.280 nan 0.000 0.509 193 L N -0.092 120.916 121.223 -0.357 0.000 1.994 193 L HA -0.229 4.111 4.340 0.000 0.000 0.208 193 L C 1.636 178.343 176.870 -0.271 0.000 1.071 193 L CA 1.814 56.396 54.840 -0.431 0.000 0.745 193 L CB -0.506 41.249 42.059 -0.505 0.000 0.892 193 L HN 0.198 nan 8.230 nan 0.000 0.431 194 D N -0.388 119.908 120.400 -0.174 0.000 2.340 194 D HA 0.073 4.713 4.640 0.000 0.000 0.220 194 D C 1.253 177.500 176.300 -0.088 0.000 1.039 194 D CA 0.847 54.808 54.000 -0.065 0.000 0.866 194 D CB 0.320 41.120 40.800 0.001 0.000 0.913 194 D HN 0.373 nan 8.370 nan 0.000 0.523 195 G N 1.739 110.454 108.800 -0.141 0.000 2.295 195 G HA2 -0.299 3.661 3.960 0.000 0.000 0.287 195 G HA3 -0.299 3.661 3.960 0.000 0.000 0.287 195 G C 0.307 175.158 174.900 -0.081 0.000 1.055 195 G CA -0.042 44.987 45.100 -0.118 0.000 0.922 195 G HN 0.350 nan 8.290 nan 0.000 0.503 196 I N 1.181 121.704 120.570 -0.079 0.000 2.519 196 I HA 0.308 4.478 4.170 0.000 0.000 0.287 196 I C 1.472 177.528 176.117 -0.102 0.000 1.047 196 I CA -0.040 61.218 61.300 -0.071 0.000 1.381 196 I CB 1.190 39.154 38.000 -0.061 0.000 1.417 196 I HN 0.435 nan 8.210 nan 0.000 0.540 197 S N 3.099 118.738 115.700 -0.102 0.000 2.608 197 S HA 0.071 4.541 4.470 0.000 0.000 0.261 197 S C 0.675 175.132 174.600 -0.237 0.000 1.314 197 S CA -0.558 57.559 58.200 -0.137 0.000 0.992 197 S CB 1.020 64.162 63.200 -0.096 0.000 0.935 197 S HN 0.587 nan 8.310 nan 0.000 0.564 198 D N 1.290 121.492 120.400 -0.329 0.000 2.123 198 D HA -0.048 4.592 4.640 0.000 0.000 0.196 198 D C 2.177 178.282 176.300 -0.324 0.000 0.992 198 D CA 1.891 55.538 54.000 -0.588 0.000 0.833 198 D CB -0.868 39.638 40.800 -0.491 0.000 0.954 198 D HN 0.692 nan 8.370 nan 0.000 0.455 199 A N 0.752 123.474 122.820 -0.163 0.000 1.898 199 A HA -0.157 4.163 4.320 0.000 0.000 0.216 199 A C 1.856 179.406 177.584 -0.056 0.000 1.181 199 A CA 1.536 53.527 52.037 -0.076 0.000 0.620 199 A CB -0.325 18.647 19.000 -0.047 0.000 0.819 199 A HN 0.003 nan 8.150 nan 0.000 0.442 200 D N -0.528 119.832 120.400 -0.067 0.000 2.144 200 D HA -0.088 4.552 4.640 0.000 0.000 0.200 200 D C 1.691 177.974 176.300 -0.027 0.000 0.978 200 D CA 0.886 54.864 54.000 -0.037 0.000 0.833 200 D CB -0.272 40.507 40.800 -0.036 0.000 0.961 200 D HN 0.353 nan 8.370 nan 0.000 0.470 201 I N 0.773 121.307 120.570 -0.059 0.000 2.361 201 I HA -0.171 3.999 4.170 0.000 0.000 0.251 201 I C 2.272 178.405 176.117 0.027 0.000 1.133 201 I CA 0.734 62.018 61.300 -0.026 0.000 1.413 201 I CB -0.519 37.447 38.000 -0.058 0.000 1.073 201 I HN -0.032 nan 8.210 nan 0.000 0.424 202 V N 0.110 120.045 119.914 0.035 0.000 2.688 202 V HA -0.156 3.965 4.120 0.000 0.000 0.256 202 V C 2.203 178.342 176.094 0.074 0.000 1.084 202 V CA 2.313 64.660 62.300 0.079 0.000 1.103 202 V CB -1.557 30.314 31.823 0.080 0.000 0.688 202 V HN 0.463 nan 8.190 nan 0.000 0.480 203 G N -1.053 107.779 108.800 0.054 0.000 3.088 203 G HA2 0.350 4.310 3.960 0.000 0.000 0.217 203 G HA3 0.350 4.310 3.960 0.000 0.000 0.217 203 G C 0.465 175.402 174.900 0.061 0.000 1.159 203 G CA 0.251 45.384 45.100 0.056 0.000 0.760 203 G HN 0.502 nan 8.290 nan 0.000 0.550 204 L N 1.806 123.067 121.223 0.062 0.000 2.361 204 L HA 0.412 4.752 4.340 0.000 0.000 0.278 204 L C -1.017 175.903 176.870 0.084 0.000 1.113 204 L CA -0.757 54.125 54.840 0.070 0.000 0.849 204 L CB 0.416 42.509 42.059 0.056 0.000 1.155 204 L HN -0.114 nan 8.230 nan 0.000 0.452 205 N N 6.353 125.107 118.700 0.090 0.000 2.372 205 N HA 0.470 5.210 4.740 0.000 0.000 0.291 205 N C -0.980 174.591 175.510 0.101 0.000 1.024 205 N CA -0.240 52.861 53.050 0.086 0.000 0.873 205 N CB 2.044 40.571 38.487 0.067 0.000 1.206 205 N HN 0.551 nan 8.380 nan 0.000 0.486 206 I N 3.298 123.921 120.570 0.088 0.000 2.362 206 I HA 0.312 4.482 4.170 0.000 0.000 0.289 206 I C -1.904 174.217 176.117 0.006 0.000 0.994 206 I CA -1.870 59.492 61.300 0.103 0.000 1.158 206 I CB 1.853 39.922 38.000 0.115 0.000 1.315 206 I HN 0.215 nan 8.210 nan 0.000 0.451 207 P HA 0.157 nan 4.420 nan 0.000 0.274 207 P C -0.986 176.245 177.300 -0.116 0.000 1.237 207 P CA -0.485 62.547 63.100 -0.113 0.000 0.793 207 P CB 0.475 32.056 31.700 -0.198 0.000 0.977 208 N N 0.052 118.683 118.700 -0.114 0.000 2.447 208 N HA 0.313 5.053 4.740 0.000 0.000 0.263 208 N C 1.120 176.576 175.510 -0.091 0.000 1.226 208 N CA 1.105 54.079 53.050 -0.128 0.000 0.906 208 N CB -0.352 38.086 38.487 -0.081 0.000 1.060 208 N HN 0.760 nan 8.380 nan 0.000 0.468 209 G N 0.866 109.619 108.800 -0.079 0.000 2.273 209 G HA2 -0.233 3.727 3.960 0.000 0.000 0.280 209 G HA3 -0.233 3.727 3.960 0.000 0.000 0.280 209 G C -0.448 174.433 174.900 -0.031 0.000 1.047 209 G CA 0.007 45.084 45.100 -0.039 0.000 0.869 209 G HN 0.432 nan 8.290 nan 0.000 0.502 210 V N 0.543 120.440 119.914 -0.030 0.000 2.378 210 V HA 0.434 4.554 4.120 0.000 0.000 0.288 210 V C -1.866 174.295 176.094 0.112 0.000 1.016 210 V CA -1.994 60.299 62.300 -0.011 0.000 0.840 210 V CB 2.099 33.817 31.823 -0.176 0.000 0.994 210 V HN 0.125 nan 8.190 nan 0.000 0.431 211 P HA 0.169 nan 4.420 nan 0.000 0.267 211 P C -0.822 176.597 177.300 0.197 0.000 1.209 211 P CA -0.114 63.051 63.100 0.108 0.000 0.763 211 P CB 0.558 32.273 31.700 0.025 0.000 0.816 212 L N 5.984 127.287 121.223 0.134 0.000 2.319 212 L HA 0.376 4.716 4.340 0.000 0.000 0.281 212 L C -1.051 175.792 176.870 -0.046 0.000 1.005 212 L CA -0.510 54.328 54.840 -0.004 0.000 0.828 212 L CB 1.397 43.430 42.059 -0.043 0.000 1.227 212 L HN 0.025 nan 8.230 nan 0.000 0.415 213 V N 6.071 125.844 119.914 -0.235 0.000 2.407 213 V HA 0.343 4.463 4.120 0.000 0.000 0.278 213 V C -0.632 175.210 176.094 -0.420 0.000 1.037 213 V CA -0.376 61.746 62.300 -0.297 0.000 0.900 213 V CB 0.928 32.450 31.823 -0.502 0.000 0.983 213 V HN 0.600 nan 8.190 nan 0.000 0.459 214 Y N 2.616 122.813 120.300 -0.171 0.000 2.341 214 Y HA 0.417 4.967 4.550 0.000 0.000 0.337 214 Y C 0.629 176.532 175.900 0.004 0.000 1.014 214 Y CA -0.482 57.569 58.100 -0.082 0.000 1.111 214 Y CB 1.616 40.057 38.460 -0.032 0.000 1.194 214 Y HN 0.613 nan 8.280 nan 0.000 0.462 215 E N 5.233 125.492 120.200 0.099 0.000 2.134 215 E HA 0.446 4.796 4.350 0.000 0.000 0.278 215 E C -1.203 175.520 176.600 0.207 0.000 0.959 215 E CA -0.451 56.048 56.400 0.165 0.000 0.783 215 E CB 1.340 31.128 29.700 0.147 0.000 1.095 215 E HN 0.484 nan 8.360 nan 0.000 0.399 216 L N 2.603 123.977 121.223 0.252 0.000 2.342 216 L HA 0.385 4.725 4.340 0.000 0.000 0.271 216 L C 0.208 177.223 176.870 0.241 0.000 1.008 216 L CA -1.165 53.839 54.840 0.273 0.000 0.818 216 L CB 1.229 43.502 42.059 0.356 0.000 1.296 216 L HN 0.567 nan 8.230 nan 0.000 0.427 217 D N -0.306 120.209 120.400 0.191 0.000 2.469 217 D HA 0.007 4.647 4.640 0.000 0.000 0.278 217 D C 0.762 177.188 176.300 0.210 0.000 1.231 217 D CA -0.395 53.680 54.000 0.124 0.000 1.075 217 D CB 0.498 41.347 40.800 0.082 0.000 1.121 217 D HN 0.618 nan 8.370 nan 0.000 0.571 218 E N -1.239 119.040 120.200 0.132 0.000 2.209 218 E HA -0.118 4.232 4.350 0.000 0.000 0.196 218 E C 0.807 177.543 176.600 0.227 0.000 0.993 218 E CA 0.836 57.352 56.400 0.193 0.000 0.819 218 E CB 0.019 29.774 29.700 0.091 0.000 0.745 218 E HN 0.349 nan 8.360 nan 0.000 0.477 219 S N -0.136 115.665 115.700 0.169 0.000 2.582 219 S HA 0.197 4.667 4.470 0.000 0.000 0.234 219 S C 0.526 175.221 174.600 0.158 0.000 0.961 219 S CA -0.160 58.123 58.200 0.137 0.000 0.953 219 S CB 0.205 63.459 63.200 0.090 0.000 0.800 219 S HN 0.329 nan 8.310 nan 0.000 0.471 220 L N 0.605 121.960 121.223 0.221 0.000 4.232 220 L HA -0.182 4.158 4.340 0.000 0.000 0.415 220 L C -0.215 176.761 176.870 0.177 0.000 1.168 220 L CA 0.173 55.160 54.840 0.247 0.000 0.966 220 L CB -2.410 39.825 42.059 0.294 0.000 2.052 220 L HN 0.224 nan 8.230 nan 0.000 0.887 221 T N 0.808 115.439 114.554 0.129 0.000 2.780 221 T HA 0.409 4.759 4.350 0.000 0.000 0.294 221 T C -2.095 172.670 174.700 0.108 0.000 0.949 221 T CA -1.042 61.100 62.100 0.070 0.000 1.074 221 T CB 1.369 70.263 68.868 0.043 0.000 0.910 221 T HN -0.092 nan 8.240 nan 0.000 0.501 222 P HA 0.183 nan 4.420 nan 0.000 0.265 222 P C 0.278 177.650 177.300 0.121 0.000 1.193 222 P CA 0.094 63.303 63.100 0.182 0.000 0.765 222 P CB 0.547 32.404 31.700 0.261 0.000 0.823 223 I N 2.392 123.030 120.570 0.113 0.000 2.729 223 I HA 0.096 4.266 4.170 0.000 0.000 0.256 223 I C 1.181 177.326 176.117 0.047 0.000 1.115 223 I CA 0.824 62.167 61.300 0.072 0.000 1.446 223 I CB 0.045 38.088 38.000 0.070 0.000 1.176 223 I HN 0.418 nan 8.210 nan 0.000 0.446 224 R N 0.637 121.160 120.500 0.038 0.000 2.712 224 R HA 0.397 4.737 4.340 0.000 0.000 0.272 224 R C -1.357 174.846 176.300 -0.161 0.000 1.032 224 R CA -0.828 55.249 56.100 -0.039 0.000 0.874 224 R CB 1.178 31.488 30.300 0.017 0.000 1.256 224 R HN 0.077 nan 8.270 nan 0.000 0.468 225 H N -0.387 118.474 119.070 -0.348 0.000 2.980 225 H HA 0.637 5.193 4.556 0.000 0.000 0.367 225 H C -1.513 173.602 175.328 -0.355 0.000 1.206 225 H CA -0.885 54.719 56.048 -0.740 0.000 1.126 225 H CB 2.255 31.096 29.762 -1.536 0.000 1.838 225 H HN 0.789 nan 8.280 nan 0.000 0.552 226 Y N -1.080 119.071 120.300 -0.249 0.000 2.573 226 Y HA 0.416 4.966 4.550 0.000 0.000 0.328 226 Y C -2.059 173.760 175.900 -0.134 0.000 1.170 226 Y CA -1.449 56.537 58.100 -0.190 0.000 1.078 226 Y CB 0.220 38.614 38.460 -0.109 0.000 1.341 226 Y HN 0.454 nan 8.280 nan 0.000 0.459 227 Y N 2.474 122.881 120.300 0.178 0.000 2.336 227 Y HA 0.487 5.037 4.550 -0.000 0.000 0.331 227 Y C 0.344 176.344 175.900 0.168 0.000 1.211 227 Y CA -0.629 57.544 58.100 0.121 0.000 1.346 227 Y CB 0.718 39.227 38.460 0.082 0.000 1.271 227 Y HN 0.579 nan 8.280 nan 0.000 0.538 228 L N 1.985 123.381 121.223 0.289 0.000 2.343 228 L HA 0.687 5.027 4.340 0.000 0.000 0.275 228 L C 0.728 177.675 176.870 0.129 0.000 1.056 228 L CA -0.070 54.882 54.840 0.186 0.000 0.804 228 L CB 1.047 43.160 42.059 0.090 0.000 1.203 228 L HN 0.929 nan 8.230 nan 0.000 0.440 229 G N 2.036 110.892 108.800 0.094 0.000 2.416 229 G HA2 -0.191 3.769 3.960 0.000 0.000 0.203 229 G HA3 -0.191 3.769 3.960 0.000 0.000 0.203 229 G C -0.940 173.987 174.900 0.046 0.000 1.227 229 G CA -0.353 44.781 45.100 0.056 0.000 1.041 229 G HN 0.616 nan 8.290 nan 0.000 0.546 230 D N 0.000 120.414 120.400 0.023 0.000 6.856 230 D HA 0.000 4.640 4.640 0.000 0.000 0.175 230 D CA 0.000 54.009 54.000 0.015 0.000 0.868 230 D CB 0.000 40.801 40.800 0.002 0.000 0.688 230 D HN 0.000 nan 8.370 nan 0.000 0.683