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 2az4_1_A DATA FIRST_RESID 5 DATA SEQUENCE AKTTVTFHSG ILTIGGTVIE VAYKDAHIFF DFGTEFRPEL DLPDDHIETL DATA SEQUENCE INNRLVPELK DLYDPRLGYE YHGAEDKDYQ HTAVFLSHAH LDHSRMINYL DATA SEQUENCE DPAVPLYTLK ETKMILNSLN RKGDFLIPSP FEEKNFTREM IGLNKNDVIK DATA SEQUENCE VGEISVEIVP VDHDAYGASA LLIRTPDHFI TYTGDLRLHG HNREETLAFC DATA SEQUENCE EKAKHTELLM MEGVSISFPE REPDPAQIAV VSEEDLVQHL VRLELENPNR DATA SEQUENCE QITFNGYPAN VERFAKIIEK SPRTVVLEAN MAALLLEVFG IEVRYYYAES DATA SEQUENCE GKIPELNPAL EIPYDTLLKD KTDYLWQVVN QFDNLQEGSL YIHSDAQPLG DATA SEQUENCE DFDPQYRVFL DLLAKKDITF VRLACSGHAI PEDLDKIIAL IEPQVLVPIH DATA SEQUENCE TLKPEKLENP YGERILPERG EQIVL 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 5 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.654 177.584 0.117 0.000 1.274 5 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 5 A CB 0.000 18.836 19.000 -0.273 0.000 0.831 6 K N 1.124 121.574 120.400 0.083 0.000 2.118 6 K HA 0.618 4.950 4.320 0.021 0.000 0.267 6 K C -0.344 176.401 176.600 0.241 0.000 0.991 6 K CA -0.168 56.213 56.287 0.155 0.000 0.916 6 K CB 1.359 33.908 32.500 0.082 0.000 1.041 6 K HN 0.671 nan 8.250 nan 0.000 0.455 7 T N 2.179 116.873 114.554 0.233 0.000 2.733 7 T HA 0.257 4.620 4.350 0.021 0.000 0.294 7 T C -0.310 174.411 174.700 0.034 0.000 0.956 7 T CA -0.303 61.911 62.100 0.190 0.000 0.987 7 T CB 0.629 69.555 68.868 0.096 0.000 0.920 7 T HN 0.325 nan 8.240 nan 0.000 0.470 8 T N 3.191 117.770 114.554 0.043 0.000 2.797 8 T HA 0.514 4.876 4.350 0.021 0.000 0.279 8 T C -0.126 174.528 174.700 -0.077 0.000 0.991 8 T CA -0.596 61.497 62.100 -0.011 0.000 0.979 8 T CB 1.220 70.097 68.868 0.015 0.000 0.943 8 T HN 0.311 nan 8.240 nan 0.000 0.444 9 V N 3.692 123.537 119.914 -0.116 0.000 2.398 9 V HA 0.543 4.675 4.120 0.021 0.000 0.286 9 V C 0.169 176.062 176.094 -0.335 0.000 1.026 9 V CA -0.682 61.464 62.300 -0.257 0.000 0.868 9 V CB 1.529 33.215 31.823 -0.228 0.000 0.982 9 V HN 0.984 nan 8.190 nan 0.000 0.443 10 T N 5.021 119.261 114.554 -0.524 0.000 2.812 10 T HA 0.564 4.926 4.350 0.021 0.000 0.282 10 T C -0.544 173.705 174.700 -0.751 0.000 0.990 10 T CA -0.132 61.652 62.100 -0.527 0.000 0.960 10 T CB 0.862 69.354 68.868 -0.627 0.000 0.948 10 T HN 0.329 nan 8.240 nan 0.000 0.438 11 F N 3.486 123.268 119.950 -0.280 0.000 2.425 11 F HA 0.266 4.805 4.527 0.021 0.000 0.354 11 F C 1.777 177.497 175.800 -0.133 0.000 1.162 11 F CA -0.697 57.201 58.000 -0.171 0.000 1.250 11 F CB 0.075 39.028 39.000 -0.078 0.000 1.579 11 F HN 0.717 nan 8.300 nan 0.000 0.589 12 H N -0.066 119.036 119.070 0.053 0.000 2.387 12 H HA -0.016 4.553 4.556 0.021 0.000 0.299 12 H C 0.993 176.375 175.328 0.089 0.000 1.090 12 H CA 1.043 57.138 56.048 0.078 0.000 1.332 12 H CB 0.508 30.310 29.762 0.067 0.000 1.386 12 H HN 0.442 nan 8.280 nan 0.000 0.516 13 S N -2.924 112.893 115.700 0.195 0.000 2.567 13 S HA 0.432 4.914 4.470 0.021 0.000 0.270 13 S C 0.139 174.815 174.600 0.127 0.000 1.152 13 S CA 0.250 58.532 58.200 0.136 0.000 0.835 13 S CB 1.488 64.745 63.200 0.096 0.000 1.115 13 S HN 0.577 nan 8.310 nan 0.000 0.459 14 G N 1.443 110.307 108.800 0.107 0.000 2.141 14 G HA2 -0.159 3.813 3.960 0.021 0.000 0.231 14 G HA3 -0.159 3.813 3.960 0.021 0.000 0.231 14 G C -0.142 174.836 174.900 0.130 0.000 0.984 14 G CA 0.097 45.271 45.100 0.124 0.000 0.660 14 G HN 0.689 nan 8.290 nan 0.000 0.525 15 I N 1.372 122.001 120.570 0.099 0.000 2.371 15 I HA 0.321 4.504 4.170 0.021 0.000 0.290 15 I C 1.464 177.597 176.117 0.027 0.000 1.028 15 I CA -0.584 60.753 61.300 0.061 0.000 1.345 15 I CB 1.049 39.073 38.000 0.039 0.000 1.407 15 I HN 0.231 nan 8.210 nan 0.000 0.501 16 L N 4.449 125.676 121.223 0.006 0.000 3.608 16 L HA -0.229 4.123 4.340 0.021 0.000 0.422 16 L C -0.055 176.800 176.870 -0.025 0.000 1.260 16 L CA 0.906 55.731 54.840 -0.025 0.000 0.889 16 L CB -1.717 40.322 42.059 -0.032 0.000 1.821 16 L HN 0.995 nan 8.230 nan 0.000 0.884 17 T N -0.250 114.300 114.554 -0.007 0.000 2.957 17 T HA 0.506 4.868 4.350 0.021 0.000 0.336 17 T C -0.070 174.627 174.700 -0.005 0.000 1.462 17 T CA -0.512 61.585 62.100 -0.005 0.000 1.073 17 T CB 1.328 70.209 68.868 0.022 0.000 1.319 17 T HN 0.151 nan 8.240 nan 0.000 0.485 18 I N 4.070 124.611 120.570 -0.048 0.000 2.241 18 I HA 0.563 4.745 4.170 0.021 0.000 0.294 18 I C 0.815 176.936 176.117 0.006 0.000 1.145 18 I CA -0.042 61.142 61.300 -0.193 0.000 1.261 18 I CB 0.089 37.950 38.000 -0.231 0.000 1.475 18 I HN 0.909 nan 8.210 nan 0.000 0.533 19 G N 2.512 111.426 108.800 0.191 0.000 2.306 19 G HA2 0.366 4.338 3.960 0.021 0.000 0.340 19 G HA3 0.366 4.338 3.960 0.021 0.000 0.340 19 G C 0.063 175.029 174.900 0.110 0.000 1.630 19 G CA -0.312 44.900 45.100 0.187 0.000 0.937 19 G HN 0.802 nan 8.290 nan 0.000 0.693 20 G N -0.095 108.715 108.800 0.017 0.000 2.132 20 G HA2 0.016 3.988 3.960 0.021 0.000 0.228 20 G HA3 0.016 3.988 3.960 0.021 0.000 0.228 20 G C 0.518 175.436 174.900 0.031 0.000 1.000 20 G CA 0.809 45.912 45.100 0.006 0.000 0.693 20 G HN 1.790 nan 8.290 nan 0.000 0.515 21 T N 0.555 115.136 114.554 0.045 0.000 2.792 21 T HA 0.390 4.752 4.350 0.021 0.000 0.286 21 T C 0.343 175.068 174.700 0.042 0.000 0.970 21 T CA 0.607 62.759 62.100 0.087 0.000 1.187 21 T CB 1.632 70.587 68.868 0.145 0.000 0.915 21 T HN 0.718 nan 8.240 nan 0.000 0.529 22 V N 6.079 126.009 119.914 0.025 0.000 2.488 22 V HA 0.470 4.602 4.120 0.021 0.000 0.293 22 V C -0.182 175.860 176.094 -0.085 0.000 1.027 22 V CA -0.741 61.556 62.300 -0.005 0.000 0.862 22 V CB 1.359 33.204 31.823 0.037 0.000 1.008 22 V HN 0.769 nan 8.190 nan 0.000 0.428 23 I N 3.467 123.778 120.570 -0.432 0.000 2.530 23 I HA 0.537 4.719 4.170 0.021 0.000 0.297 23 I C -0.139 175.482 176.117 -0.825 0.000 1.011 23 I CA -0.495 60.370 61.300 -0.724 0.000 1.107 23 I CB 2.378 39.749 38.000 -1.049 0.000 1.285 23 I HN 0.627 nan 8.210 nan 0.000 0.436 24 E N 5.066 124.877 120.200 -0.648 0.000 2.183 24 E HA 0.594 4.957 4.350 0.021 0.000 0.271 24 E C -1.739 174.513 176.600 -0.579 0.000 0.919 24 E CA -0.635 55.296 56.400 -0.782 0.000 0.781 24 E CB 2.039 31.351 29.700 -0.646 0.000 1.140 24 E HN 0.340 nan 8.360 nan 0.000 0.402 25 V N 2.979 122.623 119.914 -0.450 0.000 2.444 25 V HA 0.680 4.812 4.120 0.021 0.000 0.294 25 V C -0.458 175.552 176.094 -0.140 0.000 1.022 25 V CA -0.582 61.599 62.300 -0.200 0.000 0.850 25 V CB 1.165 32.973 31.823 -0.024 0.000 0.992 25 V HN 0.766 nan 8.190 nan 0.000 0.426 26 A N 4.614 127.400 122.820 -0.056 0.000 2.386 26 A HA 0.903 5.236 4.320 0.021 0.000 0.311 26 A C -1.683 176.026 177.584 0.208 0.000 1.068 26 A CA -0.602 51.460 52.037 0.041 0.000 0.743 26 A CB 1.566 20.573 19.000 0.011 0.000 1.258 26 A HN 0.957 nan 8.150 nan 0.000 0.429 27 Y N 2.088 122.457 120.300 0.116 0.000 2.358 27 Y HA 0.417 4.979 4.550 0.020 0.000 0.324 27 Y C 0.396 176.392 175.900 0.160 0.000 1.123 27 Y CA -0.477 57.696 58.100 0.122 0.000 1.067 27 Y CB 1.077 39.595 38.460 0.096 0.000 1.230 27 Y HN 1.079 nan 8.280 nan 0.000 0.429 28 K N 1.135 121.304 120.400 -0.384 0.000 1.779 28 K HA -0.286 4.046 4.320 0.021 0.000 0.128 28 K C -0.038 176.562 176.600 0.001 0.000 1.288 28 K CA 2.082 58.218 56.287 -0.251 0.000 0.398 28 K CB -0.892 31.428 32.500 -0.299 0.000 0.609 28 K HN 0.858 nan 8.250 nan 0.000 0.874 29 D N 0.756 121.194 120.400 0.063 0.000 2.370 29 D HA 0.363 5.016 4.640 0.021 0.000 0.230 29 D C -0.338 176.205 176.300 0.406 0.000 1.143 29 D CA 0.293 54.363 54.000 0.117 0.000 0.834 29 D CB 0.211 41.024 40.800 0.023 0.000 0.944 29 D HN 0.581 nan 8.370 nan 0.000 0.504 30 A N 0.804 123.891 122.820 0.444 0.000 2.374 30 A HA 0.716 5.048 4.320 0.021 0.000 0.317 30 A C -1.013 176.696 177.584 0.208 0.000 1.094 30 A CA -0.818 51.457 52.037 0.397 0.000 0.765 30 A CB 1.419 20.624 19.000 0.342 0.000 1.268 30 A HN 0.470 nan 8.150 nan 0.000 0.438 31 H N -0.473 118.549 119.070 -0.079 0.000 3.046 31 H HA 0.709 5.277 4.556 0.021 0.000 0.363 31 H C -1.234 174.030 175.328 -0.106 0.000 1.203 31 H CA -1.367 54.505 56.048 -0.292 0.000 1.169 31 H CB 0.285 29.544 29.762 -0.837 0.000 1.851 31 H HN 0.919 nan 8.280 nan 0.000 0.546 32 I N -0.763 119.730 120.570 -0.128 0.000 2.846 32 I HA 0.811 4.994 4.170 0.021 0.000 0.307 32 I C -1.512 174.437 176.117 -0.279 0.000 1.053 32 I CA -1.089 60.240 61.300 0.048 0.000 1.050 32 I CB 2.215 40.413 38.000 0.330 0.000 1.239 32 I HN 0.312 nan 8.210 nan 0.000 0.439 33 F N 3.304 123.295 119.950 0.068 0.000 2.588 33 F HA 0.799 5.338 4.527 0.021 0.000 0.314 33 F C -0.809 175.089 175.800 0.163 0.000 1.069 33 F CA -0.613 57.331 58.000 -0.093 0.000 0.931 33 F CB 2.341 41.275 39.000 -0.110 0.000 1.260 33 F HN 0.601 nan 8.300 nan 0.000 0.465 34 F N -1.073 118.994 119.950 0.195 0.000 2.704 34 F HA 0.462 5.001 4.527 0.020 0.000 0.312 34 F C -1.198 174.590 175.800 -0.020 0.000 1.108 34 F CA -1.228 56.840 58.000 0.113 0.000 1.005 34 F CB 0.412 39.407 39.000 -0.008 0.000 1.277 34 F HN 0.286 nan 8.300 nan 0.000 0.445 35 D N 0.804 121.354 120.400 0.251 0.000 2.261 35 D HA 0.300 4.953 4.640 0.021 0.000 0.289 35 D C -0.737 175.809 176.300 0.410 0.000 1.162 35 D CA 0.606 54.846 54.000 0.400 0.000 1.089 35 D CB 0.372 41.444 40.800 0.454 0.000 1.162 35 D HN 0.542 nan 8.370 nan 0.000 0.521 36 F N -0.108 119.916 119.950 0.125 0.000 2.453 36 F HA 0.353 4.892 4.527 0.020 0.000 0.382 36 F C 0.209 176.040 175.800 0.052 0.000 1.495 36 F CA -0.337 57.706 58.000 0.071 0.000 1.071 36 F CB 0.609 39.643 39.000 0.057 0.000 1.577 36 F HN 0.183 nan 8.300 nan 0.000 0.508 37 G N 0.035 108.836 108.800 0.000 0.000 2.642 37 G HA2 0.557 4.530 3.960 0.021 0.000 0.291 37 G HA3 0.557 4.530 3.960 0.021 0.000 0.291 37 G C -0.343 174.489 174.900 -0.114 0.000 1.345 37 G CA -0.233 44.837 45.100 -0.050 0.000 1.043 37 G HN 0.224 nan 8.290 nan 0.000 0.528 38 T N -2.038 112.468 114.554 -0.080 0.000 2.940 38 T HA 0.565 4.927 4.350 0.021 0.000 0.288 38 T C -0.142 174.565 174.700 0.013 0.000 1.033 38 T CA -0.624 61.445 62.100 -0.051 0.000 1.033 38 T CB 2.058 70.900 68.868 -0.043 0.000 1.079 38 T HN 0.477 nan 8.240 nan 0.000 0.496 39 E N 0.312 120.536 120.200 0.039 0.000 2.392 39 E HA 0.370 4.732 4.350 0.021 0.000 0.259 39 E C -1.272 175.428 176.600 0.167 0.000 1.108 39 E CA -0.387 56.065 56.400 0.087 0.000 0.916 39 E CB 0.537 30.273 29.700 0.059 0.000 0.989 39 E HN 0.542 nan 8.360 nan 0.000 0.432 40 F N 1.573 121.524 119.950 0.002 0.000 2.507 40 F HA 0.335 4.875 4.527 0.022 0.000 0.328 40 F C -0.780 175.029 175.800 0.016 0.000 1.136 40 F CA -0.863 57.141 58.000 0.007 0.000 0.930 40 F CB 1.035 40.043 39.000 0.013 0.000 1.166 40 F HN 0.163 nan 8.300 nan 0.000 0.436 41 R N 7.829 127.982 120.500 -0.578 0.000 2.363 41 R HA 0.264 4.616 4.340 0.021 0.000 0.297 41 R C -2.126 173.710 176.300 -0.773 0.000 1.208 41 R CA -1.702 54.096 56.100 -0.503 0.000 1.121 41 R CB 1.147 31.312 30.300 -0.226 0.000 1.124 41 R HN 0.426 nan 8.270 nan 0.000 0.561 42 P HA -0.181 nan 4.420 nan 0.000 0.221 42 P C 0.825 177.971 177.300 -0.256 0.000 1.145 42 P CA 1.147 63.824 63.100 -0.705 0.000 0.795 42 P CB 0.409 31.924 31.700 -0.309 0.000 0.775 43 E N -0.773 119.306 120.200 -0.201 0.000 2.481 43 E HA -0.023 4.340 4.350 0.021 0.000 0.195 43 E C 0.252 176.803 176.600 -0.082 0.000 1.047 43 E CA 0.161 56.501 56.400 -0.099 0.000 0.867 43 E CB -0.379 29.278 29.700 -0.073 0.000 0.858 43 E HN 0.193 nan 8.360 nan 0.000 0.513 44 L N 2.446 123.599 121.223 -0.116 0.000 2.309 44 L HA 0.325 4.678 4.340 0.021 0.000 0.282 44 L C -0.511 176.338 176.870 -0.034 0.000 1.036 44 L CA -0.302 54.497 54.840 -0.068 0.000 0.806 44 L CB 1.618 43.632 42.059 -0.074 0.000 1.220 44 L HN -0.116 nan 8.230 nan 0.000 0.429 45 D N 4.796 125.194 120.400 -0.004 0.000 2.502 45 D HA 0.506 5.158 4.640 0.021 0.000 0.249 45 D C -0.715 175.599 176.300 0.024 0.000 1.092 45 D CA -0.194 53.820 54.000 0.023 0.000 0.839 45 D CB 2.227 43.042 40.800 0.025 0.000 1.264 45 D HN 0.263 nan 8.370 nan 0.000 0.511 46 L N 2.692 123.938 121.223 0.038 0.000 2.362 46 L HA 0.375 4.728 4.340 0.021 0.000 0.271 46 L C -1.164 175.728 176.870 0.037 0.000 1.002 46 L CA -1.556 53.304 54.840 0.035 0.000 0.818 46 L CB 2.249 44.334 42.059 0.043 0.000 1.298 46 L HN 0.203 nan 8.230 nan 0.000 0.420 47 P HA 0.017 nan 4.420 nan 0.000 0.236 47 P C -0.757 176.563 177.300 0.034 0.000 1.177 47 P CA 0.668 63.783 63.100 0.026 0.000 0.773 47 P CB 0.101 31.811 31.700 0.016 0.000 0.878 48 D N -2.654 117.773 120.400 0.045 0.000 2.692 48 D HA 0.162 4.814 4.640 0.021 0.000 0.290 48 D C -0.807 175.540 176.300 0.078 0.000 1.281 48 D CA -0.620 53.416 54.000 0.061 0.000 0.804 48 D CB -0.159 40.685 40.800 0.073 0.000 1.331 48 D HN -0.405 nan 8.370 nan 0.000 0.432 49 D N -1.382 119.073 120.400 0.091 0.000 2.462 49 D HA 0.102 4.754 4.640 0.021 0.000 0.221 49 D C -0.446 175.973 176.300 0.200 0.000 1.173 49 D CA -0.178 53.883 54.000 0.101 0.000 0.831 49 D CB -0.411 40.407 40.800 0.030 0.000 1.001 49 D HN 0.466 nan 8.370 nan 0.000 0.499 50 H N 0.580 119.702 119.070 0.086 0.000 3.038 50 H HA -0.052 4.516 4.556 0.021 0.000 0.338 50 H C 1.778 177.121 175.328 0.025 0.000 1.041 50 H CA 0.087 56.170 56.048 0.058 0.000 1.394 50 H CB 0.766 30.532 29.762 0.007 0.000 1.357 50 H HN -0.009 nan 8.280 nan 0.000 0.600 51 I N 3.506 123.987 120.570 -0.149 0.000 2.185 51 I HA -0.312 3.870 4.170 0.021 0.000 0.246 51 I C 1.829 177.968 176.117 0.038 0.000 1.088 51 I CA 1.847 63.032 61.300 -0.192 0.000 1.347 51 I CB -0.068 37.551 38.000 -0.636 0.000 1.041 51 I HN 0.768 nan 8.210 nan 0.000 0.415 52 E N -0.069 120.320 120.200 0.314 0.000 2.077 52 E HA -0.197 4.165 4.350 0.021 0.000 0.193 52 E C 2.125 178.780 176.600 0.092 0.000 0.989 52 E CA 1.988 58.497 56.400 0.181 0.000 0.800 52 E CB -0.293 29.465 29.700 0.097 0.000 0.746 52 E HN 0.513 nan 8.360 nan 0.000 0.452 53 T N 0.569 115.181 114.554 0.097 0.000 2.708 53 T HA -0.099 4.264 4.350 0.021 0.000 0.266 53 T C 1.842 176.574 174.700 0.052 0.000 1.037 53 T CA 0.983 63.117 62.100 0.056 0.000 1.146 53 T CB -0.220 68.688 68.868 0.068 0.000 0.865 53 T HN 0.093 nan 8.240 nan 0.000 0.435 54 L N 0.322 121.579 121.223 0.057 0.000 2.093 54 L HA -0.051 4.301 4.340 0.021 0.000 0.208 54 L C 2.514 179.390 176.870 0.011 0.000 1.085 54 L CA 0.738 55.594 54.840 0.027 0.000 0.755 54 L CB -0.590 41.477 42.059 0.015 0.000 0.904 54 L HN 0.220 nan 8.230 nan 0.000 0.435 55 I N 0.399 120.974 120.570 0.008 0.000 2.113 55 I HA -0.261 3.922 4.170 0.021 0.000 0.238 55 I C 2.225 178.377 176.117 0.057 0.000 1.070 55 I CA 1.485 62.807 61.300 0.037 0.000 1.332 55 I CB -1.267 36.786 38.000 0.088 0.000 1.044 55 I HN 0.332 nan 8.210 nan 0.000 0.402 56 N N 1.391 120.124 118.700 0.055 0.000 2.205 56 N HA -0.169 4.583 4.740 0.021 0.000 0.186 56 N C 1.240 176.769 175.510 0.031 0.000 1.015 56 N CA 1.002 54.078 53.050 0.043 0.000 0.862 56 N CB -0.415 38.090 38.487 0.031 0.000 0.986 56 N HN 0.432 nan 8.380 nan 0.000 0.429 57 N N 0.537 119.254 118.700 0.028 0.000 2.270 57 N HA 0.067 4.820 4.740 0.021 0.000 0.198 57 N C -0.088 175.435 175.510 0.021 0.000 1.117 57 N CA -0.041 53.021 53.050 0.020 0.000 0.845 57 N CB 0.517 39.014 38.487 0.017 0.000 0.980 57 N HN 0.166 nan 8.380 nan 0.000 0.486 58 R N 0.584 121.102 120.500 0.031 0.000 3.770 58 R HA -0.162 4.190 4.340 0.021 0.000 0.305 58 R C 0.328 176.646 176.300 0.031 0.000 1.184 58 R CA 0.259 56.382 56.100 0.037 0.000 0.823 58 R CB -1.822 28.499 30.300 0.035 0.000 1.285 58 R HN 0.275 nan 8.270 nan 0.000 0.499 59 L N -0.236 121.001 121.223 0.024 0.000 2.375 59 L HA 0.083 4.436 4.340 0.021 0.000 0.215 59 L C 1.141 178.015 176.870 0.007 0.000 1.108 59 L CA 0.792 55.645 54.840 0.022 0.000 0.830 59 L CB 0.300 42.377 42.059 0.030 0.000 0.959 59 L HN 0.159 nan 8.230 nan 0.000 0.457 60 V N -4.248 115.664 119.914 -0.003 0.000 3.040 60 V HA 0.675 4.807 4.120 0.021 0.000 0.312 60 V C -2.767 173.347 176.094 0.033 0.000 1.115 60 V CA -2.140 60.148 62.300 -0.020 0.000 0.998 60 V CB 1.951 33.723 31.823 -0.086 0.000 1.042 60 V HN -0.196 nan 8.190 nan 0.000 0.433 61 P HA 0.359 nan 4.420 nan 0.000 0.279 61 P C -0.717 176.691 177.300 0.179 0.000 1.252 61 P CA -0.278 62.895 63.100 0.121 0.000 0.811 61 P CB 0.788 32.558 31.700 0.117 0.000 1.035 62 E N 1.455 121.802 120.200 0.245 0.000 2.299 62 E HA 0.229 4.591 4.350 0.021 0.000 0.272 62 E C -0.337 176.529 176.600 0.444 0.000 1.043 62 E CA 0.172 56.823 56.400 0.417 0.000 0.895 62 E CB 0.230 30.149 29.700 0.365 0.000 1.011 62 E HN 0.392 nan 8.360 nan 0.000 0.432 63 L N 2.659 124.134 121.223 0.420 0.000 2.431 63 L HA 0.376 4.729 4.340 0.021 0.000 0.266 63 L C -0.048 176.731 176.870 -0.153 0.000 0.978 63 L CA -0.782 54.017 54.840 -0.068 0.000 0.822 63 L CB 2.354 44.086 42.059 -0.545 0.000 1.310 63 L HN 0.249 nan 8.230 nan 0.000 0.409 64 K N 2.621 122.668 120.400 -0.589 0.000 2.227 64 K HA 0.159 4.492 4.320 0.021 0.000 0.280 64 K C -0.604 175.879 176.600 -0.196 0.000 1.041 64 K CA -0.270 55.650 56.287 -0.612 0.000 0.905 64 K CB 0.690 32.665 32.500 -0.874 0.000 1.068 64 K HN 0.604 nan 8.250 nan 0.000 0.470 65 D N 3.280 123.641 120.400 -0.065 0.000 2.689 65 D HA -0.209 4.444 4.640 0.021 0.000 0.237 65 D C 0.038 176.287 176.300 -0.085 0.000 1.148 65 D CA 0.724 54.715 54.000 -0.016 0.000 0.656 65 D CB -0.372 40.444 40.800 0.027 0.000 1.050 65 D HN 0.497 nan 8.370 nan 0.000 0.426 66 L N -1.132 119.965 121.223 -0.210 0.000 2.815 66 L HA 0.160 4.513 4.340 0.021 0.000 0.241 66 L C 0.029 176.734 176.870 -0.275 0.000 1.047 66 L CA 0.346 54.954 54.840 -0.387 0.000 0.939 66 L CB 0.257 41.846 42.059 -0.785 0.000 1.490 66 L HN -0.044 nan 8.230 nan 0.000 0.510 67 Y N 1.293 121.566 120.300 -0.044 0.000 2.326 67 Y HA 0.246 4.808 4.550 0.020 0.000 0.333 67 Y C 0.466 176.370 175.900 0.006 0.000 1.240 67 Y CA -0.946 57.147 58.100 -0.012 0.000 1.365 67 Y CB -0.034 38.353 38.460 -0.121 0.000 1.289 67 Y HN 0.026 nan 8.280 nan 0.000 0.548 68 D N 4.519 125.037 120.400 0.197 0.000 2.502 68 D HA -0.042 4.610 4.640 0.021 0.000 0.249 68 D C -1.557 174.781 176.300 0.063 0.000 1.188 68 D CA -1.363 52.694 54.000 0.094 0.000 0.890 68 D CB 0.926 41.799 40.800 0.122 0.000 1.140 68 D HN 0.261 nan 8.370 nan 0.000 0.505 69 P HA -0.167 nan 4.420 nan 0.000 0.218 69 P C 1.026 178.305 177.300 -0.035 0.000 1.148 69 P CA 1.002 64.112 63.100 0.015 0.000 0.822 69 P CB 0.179 31.869 31.700 -0.017 0.000 0.784 70 R N -0.414 119.994 120.500 -0.152 0.000 2.193 70 R HA -0.009 4.344 4.340 0.021 0.000 0.229 70 R C 2.389 178.672 176.300 -0.028 0.000 1.110 70 R CA 0.714 56.625 56.100 -0.315 0.000 0.988 70 R CB -0.846 28.876 30.300 -0.963 0.000 0.871 70 R HN 0.278 nan 8.270 nan 0.000 0.458 71 L N -0.206 121.073 121.223 0.093 0.000 2.362 71 L HA 0.006 4.359 4.340 0.021 0.000 0.219 71 L C 1.355 178.276 176.870 0.085 0.000 1.134 71 L CA 0.851 55.758 54.840 0.110 0.000 0.807 71 L CB -0.394 41.594 42.059 -0.118 0.000 0.927 71 L HN 0.463 nan 8.230 nan 0.000 0.447 72 G N -0.594 108.258 108.800 0.087 0.000 2.160 72 G HA2 -0.364 3.609 3.960 0.021 0.000 0.251 72 G HA3 -0.364 3.609 3.960 0.021 0.000 0.251 72 G C 0.089 175.050 174.900 0.100 0.000 1.008 72 G CA 0.198 45.347 45.100 0.081 0.000 0.724 72 G HN 0.407 nan 8.290 nan 0.000 0.514 73 Y N 0.772 121.070 120.300 -0.003 0.000 2.359 73 Y HA 0.558 5.121 4.550 0.021 0.000 0.330 73 Y C 0.331 176.238 175.900 0.012 0.000 1.143 73 Y CA -0.488 57.612 58.100 -0.000 0.000 1.318 73 Y CB 0.920 39.363 38.460 -0.029 0.000 1.234 73 Y HN 0.264 nan 8.280 nan 0.000 0.522 74 E N 6.155 125.886 120.200 -0.782 0.000 2.114 74 E HA 0.135 4.497 4.350 0.021 0.000 0.266 74 E C -1.770 174.089 176.600 -1.236 0.000 0.896 74 E CA -0.976 54.966 56.400 -0.763 0.000 0.750 74 E CB 0.539 29.990 29.700 -0.415 0.000 1.121 74 E HN 0.718 nan 8.360 nan 0.000 0.413 75 Y N 5.118 124.803 120.300 -1.025 0.000 2.526 75 Y HA 0.066 4.628 4.550 0.021 0.000 0.330 75 Y C -0.864 174.651 175.900 -0.642 0.000 1.156 75 Y CA 0.352 58.099 58.100 -0.589 0.000 1.419 75 Y CB 0.388 38.800 38.460 -0.079 0.000 1.250 75 Y HN 0.502 nan 8.280 nan 0.000 0.540 76 H N 4.607 123.162 119.070 -0.857 0.000 2.689 76 H HA 0.674 5.243 4.556 0.021 0.000 0.346 76 H C 0.154 174.927 175.328 -0.925 0.000 1.037 76 H CA -0.345 55.269 56.048 -0.725 0.000 1.234 76 H CB 1.416 30.991 29.762 -0.313 0.000 1.572 76 H HN 0.952 nan 8.280 nan 0.000 0.524 77 G N 0.131 108.613 108.800 -0.530 0.000 2.323 77 G HA2 0.340 4.313 3.960 0.021 0.000 0.291 77 G HA3 0.340 4.313 3.960 0.021 0.000 0.291 77 G C -0.099 174.897 174.900 0.160 0.000 1.278 77 G CA -0.066 44.948 45.100 -0.143 0.000 0.860 77 G HN 0.515 nan 8.290 nan 0.000 0.504 78 A N -0.918 122.050 122.820 0.248 0.000 2.123 78 A HA 0.448 4.780 4.320 0.021 0.000 0.214 78 A C 1.035 178.769 177.584 0.251 0.000 1.152 78 A CA 1.587 53.749 52.037 0.210 0.000 0.728 78 A CB -0.259 18.838 19.000 0.160 0.000 0.814 78 A HN 0.737 nan 8.150 nan 0.000 0.464 79 E N 1.672 122.095 120.200 0.371 0.000 2.493 79 E HA 0.089 4.451 4.350 0.021 0.000 0.255 79 E C -0.216 176.495 176.600 0.185 0.000 0.999 79 E CA 0.635 57.186 56.400 0.252 0.000 0.934 79 E CB 0.404 30.196 29.700 0.153 0.000 0.940 79 E HN 0.492 nan 8.360 nan 0.000 0.473 80 D N 3.054 123.522 120.400 0.112 0.000 2.503 80 D HA 0.101 4.753 4.640 0.021 0.000 0.218 80 D C -0.441 175.850 176.300 -0.014 0.000 1.183 80 D CA -0.211 53.825 54.000 0.060 0.000 0.827 80 D CB 0.105 40.937 40.800 0.053 0.000 1.034 80 D HN 0.192 nan 8.370 nan 0.000 0.510 81 K N 0.535 120.903 120.400 -0.054 0.000 2.207 81 K HA 0.385 4.717 4.320 0.021 0.000 0.255 81 K C -0.982 175.438 176.600 -0.299 0.000 0.941 81 K CA -0.802 55.342 56.287 -0.239 0.000 0.825 81 K CB 1.774 34.023 32.500 -0.418 0.000 1.119 81 K HN -0.103 nan 8.250 nan 0.000 0.430 82 D N 1.181 121.372 120.400 -0.348 0.000 2.193 82 D HA 0.261 4.914 4.640 0.021 0.000 0.249 82 D C -0.885 175.108 176.300 -0.512 0.000 1.034 82 D CA -0.013 53.823 54.000 -0.273 0.000 0.902 82 D CB 0.781 41.491 40.800 -0.150 0.000 1.182 82 D HN 0.260 nan 8.370 nan 0.000 0.436 83 Y N 1.052 121.253 120.300 -0.166 0.000 2.364 83 Y HA 0.139 4.701 4.550 0.021 0.000 0.340 83 Y C 1.405 177.229 175.900 -0.127 0.000 0.975 83 Y CA -0.636 57.339 58.100 -0.208 0.000 1.089 83 Y CB 1.775 39.927 38.460 -0.513 0.000 1.192 83 Y HN 0.125 nan 8.280 nan 0.000 0.454 84 Q N 1.258 121.040 119.800 -0.030 0.000 2.245 84 Q HA 0.002 4.354 4.340 0.021 0.000 0.201 84 Q C -0.313 175.469 176.000 -0.362 0.000 0.955 84 Q CA 1.106 56.761 55.803 -0.246 0.000 0.870 84 Q CB 0.270 28.759 28.738 -0.414 0.000 0.945 84 Q HN 0.621 nan 8.270 nan 0.000 0.461 85 H N -0.321 118.860 119.070 0.186 0.000 2.744 85 H HA 0.453 5.021 4.556 0.020 0.000 0.339 85 H C -0.614 174.883 175.328 0.282 0.000 1.004 85 H CA -0.190 55.976 56.048 0.197 0.000 1.257 85 H CB 1.582 31.450 29.762 0.176 0.000 1.552 85 H HN -0.153 nan 8.280 nan 0.000 0.522 86 T N 1.847 116.613 114.554 0.354 0.000 2.912 86 T HA 0.744 5.106 4.350 0.021 0.000 0.299 86 T C -0.548 174.284 174.700 0.219 0.000 1.052 86 T CA -0.714 61.590 62.100 0.340 0.000 0.996 86 T CB 2.233 71.282 68.868 0.303 0.000 1.070 86 T HN 0.786 nan 8.240 nan 0.000 0.465 87 A N 1.683 124.627 122.820 0.207 0.000 2.612 87 A HA 0.848 5.180 4.320 0.021 0.000 0.293 87 A C -1.654 175.997 177.584 0.112 0.000 1.075 87 A CA -0.679 51.435 52.037 0.128 0.000 0.680 87 A CB 1.419 20.562 19.000 0.239 0.000 1.279 87 A HN 0.663 nan 8.150 nan 0.000 0.411 88 V N 0.690 120.541 119.914 -0.105 0.000 2.735 88 V HA 0.689 4.821 4.120 0.021 0.000 0.310 88 V C -1.188 174.802 176.094 -0.173 0.000 1.061 88 V CA -0.342 61.940 62.300 -0.030 0.000 0.913 88 V CB 1.534 33.201 31.823 -0.260 0.000 1.005 88 V HN 0.731 nan 8.190 nan 0.000 0.428 89 F N 3.926 124.020 119.950 0.240 0.000 2.546 89 F HA 0.746 5.286 4.527 0.021 0.000 0.320 89 F C -0.418 175.525 175.800 0.238 0.000 1.076 89 F CA -0.871 57.271 58.000 0.236 0.000 0.928 89 F CB 2.003 41.120 39.000 0.195 0.000 1.189 89 F HN 0.290 nan 8.300 nan 0.000 0.465 90 L N 2.059 123.497 121.223 0.357 0.000 2.372 90 L HA 0.373 4.726 4.340 0.021 0.000 0.273 90 L C 0.865 177.897 176.870 0.270 0.000 0.989 90 L CA -0.256 54.760 54.840 0.294 0.000 0.841 90 L CB 1.349 43.520 42.059 0.187 0.000 1.225 90 L HN 0.689 nan 8.230 nan 0.000 0.414 91 S N 3.352 119.243 115.700 0.318 0.000 2.356 91 S HA -0.039 4.443 4.470 0.021 0.000 0.223 91 S C 0.645 175.379 174.600 0.222 0.000 1.032 91 S CA 1.420 59.767 58.200 0.245 0.000 1.005 91 S CB -0.536 62.824 63.200 0.266 0.000 0.867 91 S HN 0.875 nan 8.310 nan 0.000 0.449 92 H N -2.591 116.473 119.070 -0.010 0.000 2.932 92 H HA 0.657 5.225 4.556 0.020 0.000 0.307 92 H C 0.570 175.930 175.328 0.054 0.000 1.391 92 H CA -0.365 55.658 56.048 -0.043 0.000 1.130 92 H CB 0.837 30.514 29.762 -0.141 0.000 1.836 92 H HN 0.101 nan 8.280 nan 0.000 0.522 93 A N -0.154 122.666 122.820 0.000 0.000 2.066 93 A HA -0.009 4.323 4.320 0.021 0.000 0.218 93 A C 0.565 178.301 177.584 0.254 0.000 1.157 93 A CA 0.267 52.359 52.037 0.092 0.000 0.670 93 A CB -1.388 17.665 19.000 0.089 0.000 0.804 93 A HN 0.685 nan 8.150 nan 0.000 0.453 94 H N -1.199 117.935 119.070 0.107 0.000 3.092 94 H HA 0.007 4.575 4.556 0.020 0.000 0.332 94 H C 1.333 176.831 175.328 0.283 0.000 1.029 94 H CA -0.091 56.127 56.048 0.282 0.000 1.376 94 H CB 0.649 30.591 29.762 0.301 0.000 1.329 94 H HN 0.267 nan 8.280 nan 0.000 0.598 95 L N 2.874 124.333 121.223 0.394 0.000 2.043 95 L HA -0.235 4.117 4.340 0.021 0.000 0.212 95 L C 2.035 178.906 176.870 0.002 0.000 1.075 95 L CA 2.025 56.840 54.840 -0.041 0.000 0.752 95 L CB -0.480 41.412 42.059 -0.278 0.000 0.891 95 L HN 0.815 nan 8.230 nan 0.000 0.432 96 D N -2.850 117.611 120.400 0.101 0.000 2.378 96 D HA -0.192 4.461 4.640 0.021 0.000 0.227 96 D C 1.358 177.545 176.300 -0.189 0.000 1.012 96 D CA 1.073 55.080 54.000 0.012 0.000 0.905 96 D CB -0.436 40.423 40.800 0.098 0.000 0.895 96 D HN 0.581 nan 8.370 nan 0.000 0.532 97 H N -0.399 118.719 119.070 0.080 0.000 2.855 97 H HA 0.156 4.724 4.556 0.020 0.000 0.259 97 H C 1.374 176.760 175.328 0.096 0.000 0.972 97 H CA 0.888 56.976 56.048 0.067 0.000 1.213 97 H CB 0.917 30.643 29.762 -0.059 0.000 1.451 97 H HN 0.245 nan 8.280 nan 0.000 0.484 98 S N 0.085 115.889 115.700 0.174 0.000 2.604 98 S HA 0.067 4.549 4.470 0.021 0.000 0.235 98 S C 1.745 176.402 174.600 0.095 0.000 1.043 98 S CA -0.454 57.850 58.200 0.174 0.000 0.997 98 S CB 0.658 63.989 63.200 0.219 0.000 0.956 98 S HN 0.076 nan 8.310 nan 0.000 0.535 99 R N 1.826 122.315 120.500 -0.019 0.000 2.117 99 R HA -0.064 4.288 4.340 0.021 0.000 0.243 99 R C 2.038 178.270 176.300 -0.113 0.000 1.143 99 R CA 2.055 58.073 56.100 -0.136 0.000 0.968 99 R CB -0.382 29.806 30.300 -0.186 0.000 0.863 99 R HN 0.741 nan 8.270 nan 0.000 0.444 100 M N -0.423 119.146 119.600 -0.053 0.000 2.475 100 M HA 0.199 4.692 4.480 0.021 0.000 0.261 100 M C 1.187 177.619 176.300 0.220 0.000 1.177 100 M CA 0.189 55.440 55.300 -0.081 0.000 0.979 100 M CB 0.228 32.724 32.600 -0.173 0.000 1.482 100 M HN 0.100 nan 8.290 nan 0.000 0.484 101 I N -1.404 119.328 120.570 0.269 0.000 2.423 101 I HA -0.207 3.975 4.170 0.021 0.000 0.254 101 I C 1.342 177.574 176.117 0.191 0.000 1.151 101 I CA 1.699 63.166 61.300 0.277 0.000 1.421 101 I CB -0.965 37.108 38.000 0.122 0.000 1.079 101 I HN 0.461 nan 8.210 nan 0.000 0.431 102 N N -0.203 118.582 118.700 0.141 0.000 2.453 102 N HA -0.117 4.636 4.740 0.021 0.000 0.183 102 N C 1.065 176.796 175.510 0.368 0.000 1.041 102 N CA 0.529 53.708 53.050 0.215 0.000 0.900 102 N CB -0.054 38.541 38.487 0.179 0.000 0.961 102 N HN 0.345 nan 8.380 nan 0.000 0.443 103 Y N 0.676 121.110 120.300 0.224 0.000 2.511 103 Y HA 0.170 4.732 4.550 0.021 0.000 0.279 103 Y C 0.501 176.595 175.900 0.324 0.000 1.157 103 Y CA -0.656 57.585 58.100 0.234 0.000 1.300 103 Y CB -0.533 38.017 38.460 0.150 0.000 1.052 103 Y HN 0.062 nan 8.280 nan 0.000 0.529 104 L N 2.009 123.474 121.223 0.404 0.000 2.477 104 L HA 0.067 4.419 4.340 0.021 0.000 0.272 104 L C 0.278 177.172 176.870 0.040 0.000 1.157 104 L CA -0.260 54.617 54.840 0.061 0.000 0.889 104 L CB -0.060 41.764 42.059 -0.391 0.000 1.158 104 L HN -0.000 nan 8.230 nan 0.000 0.473 105 D N 7.699 128.103 120.400 0.006 0.000 2.793 105 D HA -0.092 4.560 4.640 0.021 0.000 0.230 105 D C -1.574 174.705 176.300 -0.034 0.000 1.139 105 D CA -0.875 53.119 54.000 -0.011 0.000 0.838 105 D CB 1.075 41.848 40.800 -0.044 0.000 1.149 105 D HN 0.430 nan 8.370 nan 0.000 0.526 106 P HA -0.200 nan 4.420 nan 0.000 0.217 106 P C 0.900 178.180 177.300 -0.034 0.000 1.151 106 P CA 1.927 65.027 63.100 -0.001 0.000 0.849 106 P CB 0.053 31.762 31.700 0.015 0.000 0.787 107 A N -1.086 121.712 122.820 -0.037 0.000 2.119 107 A HA 0.003 4.335 4.320 0.021 0.000 0.217 107 A C 1.076 178.629 177.584 -0.052 0.000 1.153 107 A CA 0.654 52.668 52.037 -0.038 0.000 0.692 107 A CB -0.866 18.118 19.000 -0.026 0.000 0.799 107 A HN 0.078 nan 8.150 nan 0.000 0.458 108 V N 3.039 122.905 119.914 -0.080 0.000 2.432 108 V HA 0.226 4.358 4.120 0.021 0.000 0.271 108 V C -2.100 173.892 176.094 -0.170 0.000 1.046 108 V CA -1.743 60.493 62.300 -0.106 0.000 0.945 108 V CB 1.038 32.773 31.823 -0.148 0.000 0.992 108 V HN 0.298 nan 8.190 nan 0.000 0.471 109 P HA 0.225 nan 4.420 nan 0.000 0.271 109 P C -0.953 176.038 177.300 -0.515 0.000 1.218 109 P CA -0.379 62.490 63.100 -0.384 0.000 0.780 109 P CB 1.297 32.728 31.700 -0.448 0.000 0.901 110 L N 3.916 124.771 121.223 -0.613 0.000 2.376 110 L HA 0.475 4.827 4.340 0.021 0.000 0.275 110 L C -1.548 174.981 176.870 -0.569 0.000 0.987 110 L CA -0.821 53.722 54.840 -0.494 0.000 0.828 110 L CB 0.881 42.751 42.059 -0.314 0.000 1.249 110 L HN 0.188 nan 8.230 nan 0.000 0.409 111 Y N 3.143 123.232 120.300 -0.351 0.000 2.377 111 Y HA 0.818 5.380 4.550 0.021 0.000 0.339 111 Y C 0.554 176.416 175.900 -0.063 0.000 1.011 111 Y CA -0.440 57.504 58.100 -0.261 0.000 1.093 111 Y CB 2.374 40.544 38.460 -0.482 0.000 1.201 111 Y HN 0.675 nan 8.280 nan 0.000 0.455 112 T N 2.380 117.030 114.554 0.160 0.000 2.749 112 T HA 0.460 4.822 4.350 0.021 0.000 0.310 112 T C -1.360 173.400 174.700 0.101 0.000 1.496 112 T CA -0.779 61.404 62.100 0.139 0.000 1.006 112 T CB 0.701 69.618 68.868 0.082 0.000 1.457 112 T HN 0.527 nan 8.240 nan 0.000 0.497 113 L N 3.525 124.786 121.223 0.062 0.000 2.461 113 L HA 0.309 4.661 4.340 0.021 0.000 0.272 113 L C 2.137 179.006 176.870 -0.002 0.000 1.197 113 L CA -0.200 54.650 54.840 0.017 0.000 0.836 113 L CB 0.711 42.749 42.059 -0.035 0.000 1.105 113 L HN 0.850 nan 8.230 nan 0.000 0.477 114 K N 1.159 121.555 120.400 -0.007 0.000 2.160 114 K HA -0.238 4.094 4.320 0.021 0.000 0.206 114 K C 1.146 177.728 176.600 -0.030 0.000 1.047 114 K CA 1.835 58.113 56.287 -0.016 0.000 0.930 114 K CB -0.044 32.450 32.500 -0.011 0.000 0.720 114 K HN 0.573 nan 8.250 nan 0.000 0.450 115 E N 0.921 121.095 120.200 -0.044 0.000 2.072 115 E HA -0.088 4.274 4.350 0.021 0.000 0.191 115 E C 2.062 178.647 176.600 -0.024 0.000 0.985 115 E CA 1.792 58.172 56.400 -0.033 0.000 0.801 115 E CB -0.432 29.226 29.700 -0.070 0.000 0.750 115 E HN 0.339 nan 8.360 nan 0.000 0.452 116 T N 0.869 115.404 114.554 -0.033 0.000 2.720 116 T HA -0.222 4.140 4.350 0.021 0.000 0.268 116 T C 1.754 176.448 174.700 -0.011 0.000 1.037 116 T CA 1.622 63.719 62.100 -0.005 0.000 1.144 116 T CB -0.174 68.705 68.868 0.019 0.000 0.864 116 T HN 0.141 nan 8.240 nan 0.000 0.444 117 K N 0.558 120.945 120.400 -0.021 0.000 2.032 117 K HA -0.093 4.239 4.320 0.021 0.000 0.209 117 K C 2.370 178.936 176.600 -0.058 0.000 1.048 117 K CA 1.392 57.656 56.287 -0.038 0.000 0.927 117 K CB -0.237 32.237 32.500 -0.043 0.000 0.712 117 K HN 0.319 nan 8.250 nan 0.000 0.441 118 M N 0.672 120.236 119.600 -0.060 0.000 2.065 118 M HA -0.224 4.269 4.480 0.021 0.000 0.259 118 M C 2.152 178.395 176.300 -0.095 0.000 1.069 118 M CA 1.378 56.630 55.300 -0.080 0.000 1.110 118 M CB -0.393 32.157 32.600 -0.084 0.000 1.328 118 M HN 0.146 nan 8.290 nan 0.000 0.405 119 I N 0.218 120.741 120.570 -0.078 0.000 2.118 119 I HA -0.288 3.894 4.170 0.021 0.000 0.241 119 I C 2.454 178.487 176.117 -0.141 0.000 1.070 119 I CA 1.591 62.832 61.300 -0.098 0.000 1.327 119 I CB -1.472 36.505 38.000 -0.038 0.000 1.034 119 I HN 0.302 nan 8.210 nan 0.000 0.405 120 L N 0.938 122.104 121.223 -0.095 0.000 2.017 120 L HA -0.189 4.163 4.340 0.021 0.000 0.208 120 L C 2.073 178.873 176.870 -0.116 0.000 1.073 120 L CA 1.832 56.619 54.840 -0.089 0.000 0.745 120 L CB -1.315 40.747 42.059 0.004 0.000 0.894 120 L HN 0.261 nan 8.230 nan 0.000 0.432 121 N N -1.739 116.897 118.700 -0.106 0.000 2.223 121 N HA -0.177 4.575 4.740 0.021 0.000 0.185 121 N C 1.999 177.432 175.510 -0.127 0.000 1.016 121 N CA 1.278 54.262 53.050 -0.111 0.000 0.863 121 N CB -0.062 38.359 38.487 -0.111 0.000 0.983 121 N HN 0.321 nan 8.380 nan 0.000 0.429 122 S N 0.065 115.671 115.700 -0.157 0.000 2.362 122 S HA 0.084 4.566 4.470 0.021 0.000 0.221 122 S C 1.771 176.233 174.600 -0.231 0.000 1.032 122 S CA 0.447 58.538 58.200 -0.180 0.000 0.973 122 S CB -0.276 62.808 63.200 -0.194 0.000 0.849 122 S HN 0.208 nan 8.310 nan 0.000 0.465 123 L N 1.442 122.462 121.223 -0.337 0.000 2.081 123 L HA -0.114 4.238 4.340 0.021 0.000 0.212 123 L C 1.754 178.427 176.870 -0.329 0.000 1.080 123 L CA 1.421 55.935 54.840 -0.544 0.000 0.754 123 L CB -0.514 40.848 42.059 -1.161 0.000 0.893 123 L HN 0.344 nan 8.230 nan 0.000 0.433 124 N N -0.171 118.431 118.700 -0.162 0.000 2.320 124 N HA -0.006 4.746 4.740 0.021 0.000 0.237 124 N C 1.531 177.034 175.510 -0.012 0.000 1.129 124 N CA -0.160 52.899 53.050 0.015 0.000 0.854 124 N CB 0.162 38.704 38.487 0.092 0.000 1.083 124 N HN 0.238 nan 8.380 nan 0.000 0.504 125 R N -0.468 119.999 120.500 -0.055 0.000 2.120 125 R HA -0.016 4.337 4.340 0.021 0.000 0.234 125 R C 0.983 177.272 176.300 -0.019 0.000 1.123 125 R CA 1.189 57.259 56.100 -0.049 0.000 0.975 125 R CB -0.150 30.105 30.300 -0.075 0.000 0.866 125 R HN 0.059 nan 8.270 nan 0.000 0.446 126 K N -0.179 120.218 120.400 -0.006 0.000 2.374 126 K HA 0.149 4.481 4.320 0.021 0.000 0.196 126 K C 0.483 177.102 176.600 0.032 0.000 1.023 126 K CA 0.439 56.732 56.287 0.009 0.000 1.103 126 K CB 0.915 33.419 32.500 0.006 0.000 0.848 126 K HN 0.486 nan 8.250 nan 0.000 0.528 127 G N 3.038 111.868 108.800 0.050 0.000 2.160 127 G HA2 -0.248 3.724 3.960 0.021 0.000 0.251 127 G HA3 -0.248 3.724 3.960 0.021 0.000 0.251 127 G C 0.115 175.055 174.900 0.067 0.000 1.008 127 G CA 0.782 45.921 45.100 0.065 0.000 0.724 127 G HN 0.531 nan 8.290 nan 0.000 0.514 128 D N -1.349 119.102 120.400 0.085 0.000 2.440 128 D HA 0.294 4.946 4.640 0.021 0.000 0.216 128 D C 1.211 177.586 176.300 0.125 0.000 1.150 128 D CA -0.350 53.697 54.000 0.078 0.000 0.832 128 D CB -0.186 40.651 40.800 0.062 0.000 0.992 128 D HN 0.311 nan 8.370 nan 0.000 0.502 129 F N 1.065 121.015 119.950 -0.000 0.000 2.289 129 F HA 0.348 4.888 4.527 0.022 0.000 0.280 129 F C 0.395 176.195 175.800 0.000 0.000 1.045 129 F CA 0.145 58.153 58.000 0.012 0.000 1.236 129 F CB 0.172 39.185 39.000 0.022 0.000 1.116 129 F HN -0.232 nan 8.300 nan 0.000 0.550 130 L N 1.611 122.888 121.223 0.091 0.000 2.375 130 L HA 0.264 4.617 4.340 0.021 0.000 0.271 130 L C -0.158 176.667 176.870 -0.075 0.000 1.107 130 L CA -0.817 53.999 54.840 -0.040 0.000 0.806 130 L CB 1.174 43.276 42.059 0.070 0.000 1.146 130 L HN -0.027 nan 8.230 nan 0.000 0.447 131 I N 3.619 124.087 120.570 -0.170 0.000 2.741 131 I HA -0.021 4.161 4.170 0.021 0.000 0.288 131 I C -1.893 174.131 176.117 -0.154 0.000 1.192 131 I CA -1.126 60.038 61.300 -0.226 0.000 1.426 131 I CB 0.144 37.851 38.000 -0.489 0.000 1.367 131 I HN 0.320 nan 8.210 nan 0.000 0.563 132 P HA 0.038 nan 4.420 nan 0.000 0.275 132 P C -0.484 176.846 177.300 0.051 0.000 1.228 132 P CA -0.383 62.732 63.100 0.026 0.000 0.786 132 P CB 0.789 32.502 31.700 0.020 0.000 0.927 133 S N 2.790 118.565 115.700 0.126 0.000 2.531 133 S HA 0.198 4.680 4.470 0.021 0.000 0.279 133 S C -1.536 172.992 174.600 -0.121 0.000 1.305 133 S CA -1.209 57.060 58.200 0.115 0.000 1.058 133 S CB -0.304 62.981 63.200 0.143 0.000 0.899 133 S HN 0.236 nan 8.310 nan 0.000 0.493 134 P HA 0.080 nan 4.420 nan 0.000 0.239 134 P C -0.117 176.700 177.300 -0.805 0.000 1.184 134 P CA 0.722 63.430 63.100 -0.654 0.000 0.760 134 P CB -0.070 31.100 31.700 -0.884 0.000 0.884 135 F N -1.102 118.803 119.950 -0.075 0.000 2.639 135 F HA 0.384 4.923 4.527 0.020 0.000 0.302 135 F C 0.841 176.518 175.800 -0.205 0.000 1.097 135 F CA -0.269 57.659 58.000 -0.120 0.000 1.294 135 F CB 0.041 38.971 39.000 -0.117 0.000 1.027 135 F HN -0.164 nan 8.300 nan 0.000 0.550 136 E N -0.775 119.334 120.200 -0.152 0.000 2.456 136 E HA 0.361 4.724 4.350 0.021 0.000 0.276 136 E C -0.926 175.625 176.600 -0.082 0.000 0.981 136 E CA -0.934 55.326 56.400 -0.234 0.000 0.814 136 E CB 1.184 30.442 29.700 -0.737 0.000 1.382 136 E HN -0.108 nan 8.360 nan 0.000 0.459 137 E N 0.857 121.052 120.200 -0.008 0.000 2.436 137 E HA -0.039 4.323 4.350 0.021 0.000 0.262 137 E C 0.539 177.191 176.600 0.086 0.000 1.063 137 E CA 0.439 56.868 56.400 0.048 0.000 0.944 137 E CB 0.587 30.334 29.700 0.077 0.000 0.950 137 E HN 0.427 nan 8.360 nan 0.000 0.444 138 K N 2.246 122.680 120.400 0.057 0.000 2.103 138 K HA -0.200 4.133 4.320 0.021 0.000 0.207 138 K C 0.871 177.524 176.600 0.089 0.000 1.048 138 K CA 1.736 58.057 56.287 0.057 0.000 0.930 138 K CB -0.034 32.485 32.500 0.032 0.000 0.716 138 K HN 0.519 nan 8.250 nan 0.000 0.444 139 N N 0.184 118.939 118.700 0.092 0.000 2.322 139 N HA -0.092 4.661 4.740 0.021 0.000 0.194 139 N C -0.024 175.553 175.510 0.112 0.000 1.126 139 N CA -0.360 52.740 53.050 0.083 0.000 0.845 139 N CB -0.551 37.962 38.487 0.044 0.000 0.976 139 N HN 0.132 nan 8.380 nan 0.000 0.475 140 F N 2.060 122.017 119.950 0.011 0.000 2.608 140 F HA 0.193 4.732 4.527 0.020 0.000 0.380 140 F C -0.245 175.567 175.800 0.020 0.000 1.083 140 F CA 0.327 58.337 58.000 0.015 0.000 1.266 140 F CB 0.543 39.558 39.000 0.024 0.000 1.076 140 F HN -0.114 nan 8.300 nan 0.000 0.574 141 T N 6.724 120.823 114.554 -0.758 0.000 2.807 141 T HA 0.406 4.769 4.350 0.021 0.000 0.279 141 T C -0.505 173.528 174.700 -1.111 0.000 0.993 141 T CA -0.866 60.852 62.100 -0.637 0.000 0.970 141 T CB 1.184 69.872 68.868 -0.300 0.000 0.950 141 T HN 0.743 nan 8.240 nan 0.000 0.441 142 R N 2.103 122.213 120.500 -0.649 0.000 2.827 142 R HA 0.242 4.594 4.340 0.021 0.000 0.269 142 R C -0.238 175.920 176.300 -0.237 0.000 1.048 142 R CA -0.187 55.720 56.100 -0.321 0.000 1.173 142 R CB -0.137 30.222 30.300 0.098 0.000 1.070 142 R HN 0.532 nan 8.270 nan 0.000 0.498 143 E N 0.935 121.063 120.200 -0.121 0.000 2.452 143 E HA 0.003 4.365 4.350 0.021 0.000 0.261 143 E C -0.352 176.161 176.600 -0.145 0.000 0.987 143 E CA 0.614 56.941 56.400 -0.121 0.000 0.926 143 E CB 0.504 30.157 29.700 -0.079 0.000 0.934 143 E HN 0.425 nan 8.360 nan 0.000 0.452 144 M N 2.725 122.239 119.600 -0.144 0.000 2.395 144 M HA 0.358 4.850 4.480 0.021 0.000 0.307 144 M C -0.684 175.528 176.300 -0.148 0.000 1.091 144 M CA -0.635 54.572 55.300 -0.156 0.000 0.919 144 M CB 1.852 34.388 32.600 -0.107 0.000 1.662 144 M HN 0.341 nan 8.290 nan 0.000 0.440 145 I N 2.603 123.050 120.570 -0.206 0.000 2.294 145 I HA 0.206 4.388 4.170 0.021 0.000 0.295 145 I C 0.898 177.007 176.117 -0.014 0.000 1.098 145 I CA -0.155 61.071 61.300 -0.124 0.000 1.277 145 I CB 0.419 38.300 38.000 -0.198 0.000 1.434 145 I HN 0.765 nan 8.210 nan 0.000 0.498 146 G N 7.633 116.429 108.800 -0.007 0.000 2.361 146 G HA2 0.466 4.439 3.960 0.021 0.000 0.260 146 G HA3 0.466 4.439 3.960 0.021 0.000 0.260 146 G C -0.303 174.625 174.900 0.046 0.000 1.261 146 G CA -0.328 44.780 45.100 0.014 0.000 0.897 146 G HN 0.452 nan 8.290 nan 0.000 0.499 147 L N 1.839 123.101 121.223 0.065 0.000 2.304 147 L HA 0.414 4.766 4.340 0.021 0.000 0.268 147 L C 0.279 177.170 176.870 0.035 0.000 1.010 147 L CA -1.076 53.806 54.840 0.070 0.000 0.813 147 L CB 1.934 44.059 42.059 0.109 0.000 1.315 147 L HN 0.488 nan 8.230 nan 0.000 0.445 148 N N -0.325 118.392 118.700 0.028 0.000 2.476 148 N HA 0.275 5.027 4.740 0.021 0.000 0.275 148 N C -1.073 174.441 175.510 0.006 0.000 1.190 148 N CA -0.867 52.190 53.050 0.012 0.000 0.977 148 N CB 0.847 39.342 38.487 0.013 0.000 1.200 148 N HN 0.396 nan 8.380 nan 0.000 0.515 149 K N 1.703 122.100 120.400 -0.005 0.000 2.489 149 K HA -0.045 4.287 4.320 0.021 0.000 0.278 149 K C -0.114 176.484 176.600 -0.003 0.000 1.000 149 K CA 0.230 56.511 56.287 -0.011 0.000 1.012 149 K CB 0.089 32.580 32.500 -0.015 0.000 0.903 149 K HN 0.589 nan 8.250 nan 0.000 0.485 150 N N 1.062 119.759 118.700 -0.004 0.000 2.800 150 N HA -0.181 4.571 4.740 0.021 0.000 0.250 150 N C -0.936 174.568 175.510 -0.010 0.000 1.078 150 N CA 1.008 54.055 53.050 -0.005 0.000 0.804 150 N CB -1.097 37.387 38.487 -0.005 0.000 1.135 150 N HN 0.654 nan 8.380 nan 0.000 0.565 151 D N 0.598 120.996 120.400 -0.003 0.000 2.399 151 D HA 0.267 4.920 4.640 0.021 0.000 0.241 151 D C 0.457 176.745 176.300 -0.020 0.000 1.133 151 D CA 0.179 54.177 54.000 -0.003 0.000 0.890 151 D CB 1.219 42.028 40.800 0.015 0.000 1.201 151 D HN -0.120 nan 8.370 nan 0.000 0.432 152 V N 3.548 123.443 119.914 -0.031 0.000 2.417 152 V HA 0.296 4.428 4.120 0.021 0.000 0.291 152 V C 0.045 176.104 176.094 -0.059 0.000 1.024 152 V CA -0.823 61.446 62.300 -0.053 0.000 0.861 152 V CB 1.574 33.363 31.823 -0.055 0.000 0.985 152 V HN 0.323 nan 8.190 nan 0.000 0.436 153 I N 4.403 124.925 120.570 -0.081 0.000 2.412 153 I HA 0.498 4.680 4.170 0.021 0.000 0.296 153 I C 0.065 176.145 176.117 -0.062 0.000 0.987 153 I CA -0.885 60.348 61.300 -0.111 0.000 1.180 153 I CB 1.822 39.663 38.000 -0.265 0.000 1.340 153 I HN 0.561 nan 8.210 nan 0.000 0.455 154 K N 4.589 124.962 120.400 -0.044 0.000 2.265 154 K HA 0.585 4.917 4.320 0.021 0.000 0.267 154 K C -1.005 175.594 176.600 -0.003 0.000 0.994 154 K CA -0.445 55.827 56.287 -0.026 0.000 0.860 154 K CB 1.986 34.466 32.500 -0.034 0.000 1.099 154 K HN 0.287 nan 8.250 nan 0.000 0.448 155 V N 3.635 123.563 119.914 0.024 0.000 2.325 155 V HA 0.344 4.477 4.120 0.021 0.000 0.280 155 V C 0.841 176.928 176.094 -0.012 0.000 1.016 155 V CA -0.177 62.163 62.300 0.066 0.000 0.818 155 V CB 0.414 32.357 31.823 0.200 0.000 1.019 155 V HN 1.119 nan 8.190 nan 0.000 0.434 156 G N 4.893 113.511 108.800 -0.304 0.000 2.651 156 G HA2 -0.305 3.667 3.960 0.021 0.000 0.315 156 G HA3 -0.305 3.667 3.960 0.021 0.000 0.315 156 G C 0.584 175.441 174.900 -0.072 0.000 1.258 156 G CA 0.828 45.727 45.100 -0.335 0.000 1.002 156 G HN 0.654 nan 8.290 nan 0.000 0.551 157 E N 0.442 120.689 120.200 0.077 0.000 2.437 157 E HA 0.254 4.617 4.350 0.021 0.000 0.189 157 E C 0.574 177.185 176.600 0.019 0.000 1.054 157 E CA -0.188 56.263 56.400 0.085 0.000 0.874 157 E CB 0.092 29.925 29.700 0.222 0.000 1.011 157 E HN 0.447 nan 8.360 nan 0.000 0.474 158 I N 1.197 121.795 120.570 0.046 0.000 2.365 158 I HA 0.073 4.255 4.170 0.021 0.000 0.291 158 I C 0.327 176.432 176.117 -0.021 0.000 1.004 158 I CA -0.394 60.910 61.300 0.006 0.000 1.311 158 I CB 1.388 39.426 38.000 0.063 0.000 1.401 158 I HN -0.136 nan 8.210 nan 0.000 0.491 159 S N 6.338 122.004 115.700 -0.056 0.000 2.449 159 S HA 0.659 5.142 4.470 0.021 0.000 0.310 159 S C -0.828 173.706 174.600 -0.110 0.000 1.096 159 S CA -0.523 57.633 58.200 -0.073 0.000 1.095 159 S CB 1.233 64.387 63.200 -0.077 0.000 1.007 159 S HN 0.352 nan 8.310 nan 0.000 0.474 160 V N 4.895 124.715 119.914 -0.157 0.000 2.444 160 V HA 0.490 4.623 4.120 0.021 0.000 0.294 160 V C -0.121 175.846 176.094 -0.212 0.000 1.022 160 V CA -0.735 61.393 62.300 -0.286 0.000 0.850 160 V CB 1.419 32.835 31.823 -0.679 0.000 0.992 160 V HN 0.954 nan 8.190 nan 0.000 0.426 161 E N 3.961 124.066 120.200 -0.157 0.000 2.156 161 E HA 0.525 4.888 4.350 0.021 0.000 0.279 161 E C -1.055 175.491 176.600 -0.090 0.000 0.965 161 E CA -0.641 55.702 56.400 -0.094 0.000 0.789 161 E CB 1.791 31.459 29.700 -0.053 0.000 1.098 161 E HN 0.733 nan 8.360 nan 0.000 0.397 162 I N 5.506 126.044 120.570 -0.053 0.000 2.307 162 I HA 0.250 4.433 4.170 0.021 0.000 0.289 162 I C -1.413 174.692 176.117 -0.019 0.000 1.021 162 I CA -0.631 60.651 61.300 -0.030 0.000 1.224 162 I CB 0.750 38.774 38.000 0.039 0.000 1.376 162 I HN 0.269 nan 8.210 nan 0.000 0.470 163 V N 9.683 129.579 119.914 -0.030 0.000 2.448 163 V HA 0.474 4.607 4.120 0.021 0.000 0.295 163 V C -2.141 173.910 176.094 -0.072 0.000 1.025 163 V CA -1.670 60.626 62.300 -0.007 0.000 0.859 163 V CB 1.679 33.563 31.823 0.101 0.000 0.988 163 V HN 0.634 nan 8.190 nan 0.000 0.431 164 P HA 0.245 nan 4.420 nan 0.000 0.271 164 P C -0.842 176.382 177.300 -0.126 0.000 1.216 164 P CA 0.145 63.181 63.100 -0.106 0.000 0.776 164 P CB 1.778 33.431 31.700 -0.079 0.000 0.881 165 V N 2.367 122.170 119.914 -0.186 0.000 2.925 165 V HA 0.219 4.352 4.120 0.021 0.000 0.311 165 V C -0.538 175.468 176.094 -0.147 0.000 1.104 165 V CA -0.657 61.514 62.300 -0.216 0.000 0.954 165 V CB 2.392 33.958 31.823 -0.429 0.000 1.022 165 V HN 0.532 nan 8.190 nan 0.000 0.427 166 D N 3.188 123.529 120.400 -0.098 0.000 2.343 166 D HA 0.390 5.043 4.640 0.021 0.000 0.255 166 D C -0.675 175.598 176.300 -0.045 0.000 1.187 166 D CA 0.741 54.710 54.000 -0.051 0.000 0.875 166 D CB 0.332 41.106 40.800 -0.044 0.000 1.136 166 D HN 0.678 nan 8.370 nan 0.000 0.469 167 H N 1.172 120.144 119.070 -0.162 0.000 3.017 167 H HA 0.201 4.770 4.556 0.021 0.000 0.346 167 H C -0.122 175.162 175.328 -0.073 0.000 1.286 167 H CA -0.771 55.153 56.048 -0.208 0.000 1.120 167 H CB 1.406 30.953 29.762 -0.359 0.000 1.860 167 H HN 0.285 nan 8.280 nan 0.000 0.542 168 D N 0.781 120.838 120.400 -0.573 0.000 2.363 168 D HA 0.114 4.767 4.640 0.021 0.000 0.226 168 D C 0.202 176.455 176.300 -0.078 0.000 1.020 168 D CA 0.400 54.270 54.000 -0.216 0.000 0.892 168 D CB -0.185 40.530 40.800 -0.143 0.000 0.900 168 D HN 0.500 nan 8.370 nan 0.000 0.531 169 A N 0.389 123.041 122.820 -0.280 0.000 2.276 169 A HA 0.347 4.680 4.320 0.021 0.000 0.300 169 A C -0.807 176.800 177.584 0.039 0.000 1.235 169 A CA -0.726 51.251 52.037 -0.100 0.000 0.867 169 A CB 0.038 18.835 19.000 -0.338 0.000 1.137 169 A HN 0.199 nan 8.150 nan 0.000 0.527 170 Y N 2.197 122.503 120.300 0.010 0.000 2.597 170 Y HA 0.327 4.890 4.550 0.021 0.000 0.336 170 Y C 1.436 177.328 175.900 -0.013 0.000 1.216 170 Y CA 1.381 59.489 58.100 0.014 0.000 1.463 170 Y CB 0.590 39.056 38.460 0.010 0.000 1.303 170 Y HN 1.433 nan 8.280 nan 0.000 0.576 171 G N 2.937 111.358 108.800 -0.631 0.000 2.143 171 G HA2 -0.197 3.776 3.960 0.021 0.000 0.249 171 G HA3 -0.197 3.776 3.960 0.021 0.000 0.249 171 G C 0.141 174.925 174.900 -0.194 0.000 0.981 171 G CA -0.008 44.845 45.100 -0.412 0.000 0.665 171 G HN 1.210 nan 8.290 nan 0.000 0.528 172 A N -0.073 122.647 122.820 -0.167 0.000 2.462 172 A HA 0.760 5.093 4.320 0.021 0.000 0.243 172 A C 0.833 178.306 177.584 -0.186 0.000 1.076 172 A CA 1.165 53.114 52.037 -0.147 0.000 0.773 172 A CB 0.489 19.365 19.000 -0.207 0.000 1.010 172 A HN 2.092 nan 8.150 nan 0.000 0.493 173 S N 0.274 115.863 115.700 -0.184 0.000 2.651 173 S HA 0.880 5.362 4.470 0.021 0.000 0.279 173 S C -0.439 173.983 174.600 -0.296 0.000 1.148 173 S CA -0.169 57.911 58.200 -0.200 0.000 0.837 173 S CB 1.602 64.746 63.200 -0.093 0.000 1.138 173 S HN 2.064 nan 8.310 nan 0.000 0.478 174 A N 0.637 123.245 122.820 -0.354 0.000 2.386 174 A HA 0.880 5.212 4.320 0.021 0.000 0.308 174 A C -1.132 176.338 177.584 -0.189 0.000 1.128 174 A CA -1.027 50.755 52.037 -0.426 0.000 0.789 174 A CB 0.954 19.413 19.000 -0.901 0.000 1.325 174 A HN 0.867 nan 8.150 nan 0.000 0.437 175 L N 0.843 121.983 121.223 -0.139 0.000 2.341 175 L HA 0.504 4.856 4.340 0.021 0.000 0.278 175 L C -1.081 175.763 176.870 -0.044 0.000 1.005 175 L CA -0.341 54.402 54.840 -0.162 0.000 0.818 175 L CB 1.563 43.386 42.059 -0.394 0.000 1.259 175 L HN 0.529 nan 8.230 nan 0.000 0.418 176 L N 4.884 126.109 121.223 0.003 0.000 2.280 176 L HA 0.557 4.909 4.340 0.021 0.000 0.287 176 L C -0.621 176.286 176.870 0.062 0.000 1.023 176 L CA -0.369 54.563 54.840 0.154 0.000 0.819 176 L CB 1.721 43.930 42.059 0.250 0.000 1.212 176 L HN 0.501 nan 8.230 nan 0.000 0.420 177 I N 3.931 124.564 120.570 0.104 0.000 2.389 177 I HA 0.433 4.615 4.170 0.021 0.000 0.288 177 I C -0.154 176.040 176.117 0.127 0.000 0.999 177 I CA -0.348 60.963 61.300 0.019 0.000 1.129 177 I CB 1.516 39.486 38.000 -0.051 0.000 1.288 177 I HN 0.524 nan 8.210 nan 0.000 0.444 178 R N 3.749 124.272 120.500 0.038 0.000 2.534 178 R HA 0.613 4.965 4.340 0.021 0.000 0.301 178 R C -0.467 175.797 176.300 -0.060 0.000 0.961 178 R CA -0.701 55.415 56.100 0.026 0.000 0.871 178 R CB 2.395 32.671 30.300 -0.041 0.000 1.170 178 R HN 0.701 nan 8.270 nan 0.000 0.446 179 T N -1.100 113.395 114.554 -0.097 0.000 2.948 179 T HA 0.354 4.717 4.350 0.021 0.000 0.285 179 T C -1.935 172.595 174.700 -0.282 0.000 1.019 179 T CA -2.084 59.824 62.100 -0.320 0.000 1.013 179 T CB 1.792 70.335 68.868 -0.542 0.000 1.117 179 T HN 0.167 nan 8.240 nan 0.000 0.533 180 P HA -0.035 nan 4.420 nan 0.000 0.218 180 P C 0.490 177.688 177.300 -0.171 0.000 1.146 180 P CA 1.097 64.079 63.100 -0.196 0.000 0.813 180 P CB 0.061 31.687 31.700 -0.123 0.000 0.778 181 D N -3.715 116.550 120.400 -0.224 0.000 2.441 181 D HA 0.077 4.729 4.640 0.021 0.000 0.210 181 D C 0.406 176.326 176.300 -0.633 0.000 1.102 181 D CA 0.400 54.171 54.000 -0.383 0.000 0.840 181 D CB 0.197 40.737 40.800 -0.433 0.000 0.990 181 D HN 0.285 nan 8.370 nan 0.000 0.505 182 H N -0.404 118.655 119.070 -0.019 0.000 2.895 182 H HA 0.335 4.903 4.556 0.020 0.000 0.373 182 H C -1.346 174.055 175.328 0.122 0.000 1.174 182 H CA -0.655 55.419 56.048 0.044 0.000 1.144 182 H CB 2.157 31.935 29.762 0.027 0.000 1.793 182 H HN -0.157 nan 8.280 nan 0.000 0.551 183 F N 4.208 124.216 119.950 0.098 0.000 2.612 183 F HA 0.478 5.017 4.527 0.020 0.000 0.332 183 F C -1.138 174.693 175.800 0.052 0.000 1.167 183 F CA -1.248 56.772 58.000 0.035 0.000 0.970 183 F CB 0.302 39.306 39.000 0.007 0.000 1.234 183 F HN 0.498 nan 8.300 nan 0.000 0.453 184 I N 1.922 122.448 120.570 -0.074 0.000 3.002 184 I HA 0.867 5.050 4.170 0.021 0.000 0.310 184 I C -1.255 174.737 176.117 -0.209 0.000 1.087 184 I CA -0.730 60.443 61.300 -0.211 0.000 1.017 184 I CB 2.704 40.687 38.000 -0.029 0.000 1.226 184 I HN 0.425 nan 8.210 nan 0.000 0.443 185 T N 2.500 116.969 114.554 -0.143 0.000 2.971 185 T HA 0.374 4.736 4.350 0.021 0.000 0.304 185 T C -1.713 173.058 174.700 0.118 0.000 1.038 185 T CA -0.308 61.772 62.100 -0.033 0.000 1.007 185 T CB 1.208 70.015 68.868 -0.100 0.000 1.055 185 T HN 0.555 nan 8.240 nan 0.000 0.451 186 Y N 2.554 122.820 120.300 -0.057 0.000 2.328 186 Y HA 0.412 4.975 4.550 0.020 0.000 0.333 186 Y C 1.452 177.317 175.900 -0.059 0.000 0.958 186 Y CA -1.134 56.937 58.100 -0.048 0.000 1.167 186 Y CB 1.351 39.638 38.460 -0.288 0.000 1.151 186 Y HN 0.752 nan 8.280 nan 0.000 0.470 187 T N 1.880 116.170 114.554 -0.439 0.000 3.023 187 T HA 0.330 4.692 4.350 0.021 0.000 0.266 187 T C 1.247 175.463 174.700 -0.807 0.000 1.093 187 T CA 0.720 62.508 62.100 -0.521 0.000 1.129 187 T CB -0.744 67.981 68.868 -0.237 0.000 0.899 187 T HN 1.354 nan 8.240 nan 0.000 0.491 188 G N 1.657 109.701 108.800 -1.260 0.000 2.575 188 G HA2 -0.196 3.776 3.960 0.021 0.000 0.267 188 G HA3 -0.196 3.776 3.960 0.021 0.000 0.267 188 G C -1.047 173.541 174.900 -0.520 0.000 1.264 188 G CA -0.003 44.580 45.100 -0.861 0.000 0.935 188 G HN 0.566 nan 8.290 nan 0.000 0.568 189 D N 0.903 120.948 120.400 -0.592 0.000 2.175 189 D HA 0.687 5.340 4.640 0.021 0.000 0.248 189 D C 0.426 176.244 176.300 -0.804 0.000 1.047 189 D CA 0.385 53.996 54.000 -0.649 0.000 0.883 189 D CB 1.482 41.619 40.800 -1.104 0.000 1.180 189 D HN 0.912 nan 8.370 nan 0.000 0.438 190 L N -0.906 120.053 121.223 -0.440 0.000 2.869 190 L HA 0.685 5.038 4.340 0.021 0.000 0.265 190 L C -0.794 176.036 176.870 -0.066 0.000 1.011 190 L CA -1.254 53.430 54.840 -0.260 0.000 0.913 190 L CB 0.806 42.703 42.059 -0.271 0.000 1.490 190 L HN 0.578 nan 8.230 nan 0.000 0.410 191 R N 0.014 120.481 120.500 -0.055 0.000 2.766 191 R HA 0.832 5.184 4.340 0.021 0.000 0.270 191 R C -1.192 175.092 176.300 -0.027 0.000 1.035 191 R CA -0.950 55.137 56.100 -0.021 0.000 0.911 191 R CB 1.417 31.619 30.300 -0.164 0.000 1.243 191 R HN 0.621 nan 8.270 nan 0.000 0.460 192 L N 0.738 121.981 121.223 0.034 0.000 3.069 192 L HA 0.277 4.630 4.340 0.021 0.000 0.271 192 L C 0.562 177.476 176.870 0.073 0.000 1.201 192 L CA -0.266 54.605 54.840 0.051 0.000 1.015 192 L CB 0.331 42.443 42.059 0.088 0.000 1.371 192 L HN 0.770 nan 8.230 nan 0.000 0.574 193 H N -2.290 116.781 119.070 0.003 0.000 2.662 193 H HA 0.376 4.944 4.556 0.021 0.000 0.268 193 H C 0.496 175.788 175.328 -0.059 0.000 1.152 193 H CA 0.097 56.136 56.048 -0.016 0.000 1.072 193 H CB 0.315 30.073 29.762 -0.006 0.000 1.660 193 H HN 0.119 nan 8.280 nan 0.000 0.584 194 G N 0.526 109.149 108.800 -0.295 0.000 2.630 194 G HA2 0.054 4.026 3.960 0.021 0.000 0.223 194 G HA3 0.054 4.026 3.960 0.021 0.000 0.223 194 G C 0.673 175.435 174.900 -0.231 0.000 1.434 194 G CA -0.460 44.436 45.100 -0.340 0.000 1.057 194 G HN 0.347 nan 8.290 nan 0.000 0.570 195 H N -0.064 119.003 119.070 -0.005 0.000 2.423 195 H HA 0.020 4.589 4.556 0.022 0.000 0.297 195 H C 0.202 175.546 175.328 0.027 0.000 1.075 195 H CA 0.991 57.053 56.048 0.023 0.000 1.342 195 H CB 0.310 30.107 29.762 0.057 0.000 1.395 195 H HN 0.233 nan 8.280 nan 0.000 0.530 196 N N 0.943 119.718 118.700 0.125 0.000 2.765 196 N HA 0.037 4.789 4.740 0.021 0.000 0.277 196 N C 1.330 176.863 175.510 0.039 0.000 1.750 196 N CA -0.067 53.035 53.050 0.086 0.000 0.827 196 N CB 1.287 39.836 38.487 0.103 0.000 1.200 196 N HN 0.400 nan 8.380 nan 0.000 0.494 197 R N 0.629 121.144 120.500 0.025 0.000 2.127 197 R HA -0.129 4.223 4.340 0.021 0.000 0.238 197 R C 0.374 176.692 176.300 0.029 0.000 1.134 197 R CA 1.625 57.736 56.100 0.018 0.000 0.975 197 R CB 0.148 30.461 30.300 0.023 0.000 0.865 197 R HN -0.001 nan 8.270 nan 0.000 0.447 198 E N 0.995 121.214 120.200 0.031 0.000 2.204 198 E HA -0.129 4.233 4.350 0.021 0.000 0.194 198 E C 1.641 178.264 176.600 0.037 0.000 0.989 198 E CA 1.488 57.907 56.400 0.031 0.000 0.824 198 E CB 0.002 29.718 29.700 0.028 0.000 0.756 198 E HN 0.592 nan 8.360 nan 0.000 0.477 199 E N -0.184 120.037 120.200 0.036 0.000 2.106 199 E HA -0.121 4.242 4.350 0.021 0.000 0.192 199 E C 1.814 178.454 176.600 0.067 0.000 0.984 199 E CA 1.428 57.850 56.400 0.037 0.000 0.806 199 E CB -0.099 29.607 29.700 0.010 0.000 0.750 199 E HN 0.175 nan 8.360 nan 0.000 0.458 200 T N 1.773 116.362 114.554 0.057 0.000 2.737 200 T HA -0.104 4.258 4.350 0.021 0.000 0.265 200 T C 1.982 176.781 174.700 0.164 0.000 1.038 200 T CA 0.760 62.928 62.100 0.113 0.000 1.144 200 T CB -0.201 68.703 68.868 0.059 0.000 0.866 200 T HN 0.074 nan 8.240 nan 0.000 0.434 201 L N 0.846 122.119 121.223 0.083 0.000 2.012 201 L HA -0.162 4.190 4.340 0.021 0.000 0.210 201 L C 3.076 179.963 176.870 0.028 0.000 1.073 201 L CA 1.489 56.355 54.840 0.044 0.000 0.748 201 L CB -0.773 41.300 42.059 0.024 0.000 0.891 201 L HN 0.256 nan 8.230 nan 0.000 0.431 202 A N -0.212 122.635 122.820 0.045 0.000 1.972 202 A HA -0.270 4.062 4.320 0.021 0.000 0.219 202 A C 2.146 179.758 177.584 0.046 0.000 1.169 202 A CA 1.627 53.683 52.037 0.031 0.000 0.635 202 A CB -0.789 18.233 19.000 0.037 0.000 0.810 202 A HN 0.471 nan 8.150 nan 0.000 0.446 203 F N 0.449 120.376 119.950 -0.038 0.000 2.113 203 F HA -0.199 4.341 4.527 0.021 0.000 0.297 203 F C 2.324 178.102 175.800 -0.037 0.000 1.103 203 F CA 1.498 59.474 58.000 -0.040 0.000 1.248 203 F CB -0.909 38.058 39.000 -0.056 0.000 0.999 203 F HN 0.264 nan 8.300 nan 0.000 0.475 204 C N 0.734 119.784 119.300 -0.415 0.000 2.413 204 C HA -0.178 4.294 4.460 0.021 0.000 0.276 204 C C 2.721 177.490 174.990 -0.369 0.000 1.248 204 C CA 1.520 60.238 59.018 -0.500 0.000 1.742 204 C CB -1.216 26.403 27.740 -0.201 0.000 2.017 204 C HN 0.639 nan 8.230 nan 0.000 0.481 205 E N 1.350 121.414 120.200 -0.226 0.000 2.110 205 E HA -0.161 4.202 4.350 0.021 0.000 0.193 205 E C 2.067 178.568 176.600 -0.165 0.000 0.988 205 E CA 1.524 57.820 56.400 -0.173 0.000 0.804 205 E CB -0.256 29.380 29.700 -0.106 0.000 0.745 205 E HN 0.521 nan 8.360 nan 0.000 0.458 206 K N -0.552 119.753 120.400 -0.160 0.000 2.155 206 K HA 0.038 4.371 4.320 0.021 0.000 0.203 206 K C 1.853 178.422 176.600 -0.051 0.000 1.052 206 K CA 0.950 57.176 56.287 -0.101 0.000 0.948 206 K CB 0.006 32.478 32.500 -0.046 0.000 0.728 206 K HN 0.167 nan 8.250 nan 0.000 0.448 207 A N 1.389 124.069 122.820 -0.234 0.000 2.218 207 A HA -0.008 4.324 4.320 0.021 0.000 0.209 207 A C 0.629 178.141 177.584 -0.119 0.000 1.168 207 A CA -0.021 51.902 52.037 -0.189 0.000 0.804 207 A CB -0.065 18.516 19.000 -0.697 0.000 0.834 207 A HN 0.049 nan 8.150 nan 0.000 0.482 208 K N 0.600 120.894 120.400 -0.178 0.000 2.511 208 K HA -0.081 4.251 4.320 0.021 0.000 0.277 208 K C 0.025 176.544 176.600 -0.135 0.000 1.025 208 K CA 1.143 57.243 56.287 -0.311 0.000 1.112 208 K CB -0.718 31.525 32.500 -0.429 0.000 0.859 208 K HN 0.651 nan 8.250 nan 0.000 0.485 209 H N 0.024 119.073 119.070 -0.035 0.000 3.109 209 H HA -0.208 4.360 4.556 0.021 0.000 0.245 209 H C -0.171 175.162 175.328 0.009 0.000 1.187 209 H CA 0.592 56.641 56.048 0.002 0.000 1.136 209 H CB -1.669 28.117 29.762 0.041 0.000 1.243 209 H HN 0.693 nan 8.280 nan 0.000 0.328 210 T N 0.063 114.575 114.554 -0.071 0.000 2.946 210 T HA -0.018 4.344 4.350 0.021 0.000 0.311 210 T C 1.445 176.025 174.700 -0.201 0.000 1.063 210 T CA 0.635 62.453 62.100 -0.470 0.000 1.139 210 T CB 0.750 69.091 68.868 -0.878 0.000 0.994 210 T HN 0.441 nan 8.240 nan 0.000 0.547 211 E N 2.051 122.154 120.200 -0.162 0.000 2.208 211 E HA 0.076 4.438 4.350 0.021 0.000 0.193 211 E C 0.119 176.702 176.600 -0.028 0.000 0.988 211 E CA 0.448 56.838 56.400 -0.016 0.000 0.828 211 E CB 0.173 29.921 29.700 0.080 0.000 0.763 211 E HN 0.305 nan 8.360 nan 0.000 0.478 212 L N 0.960 122.131 121.223 -0.087 0.000 2.541 212 L HA 0.281 4.634 4.340 0.021 0.000 0.266 212 L C -1.806 175.045 176.870 -0.032 0.000 0.966 212 L CA -0.665 54.163 54.840 -0.020 0.000 0.871 212 L CB 1.754 43.829 42.059 0.026 0.000 1.232 212 L HN -0.086 nan 8.230 nan 0.000 0.408 213 L N 5.587 126.811 121.223 0.003 0.000 2.264 213 L HA 0.568 4.920 4.340 0.021 0.000 0.287 213 L C -0.628 176.314 176.870 0.119 0.000 1.039 213 L CA 0.065 54.925 54.840 0.032 0.000 0.829 213 L CB 0.969 43.035 42.059 0.011 0.000 1.211 213 L HN 0.651 nan 8.230 nan 0.000 0.427 214 M N 6.910 126.629 119.600 0.199 0.000 2.151 214 M HA 0.363 4.855 4.480 0.021 0.000 0.349 214 M C -0.403 176.057 176.300 0.266 0.000 1.284 214 M CA 0.391 55.877 55.300 0.311 0.000 1.173 214 M CB 0.634 33.530 32.600 0.494 0.000 1.469 214 M HN 0.644 nan 8.290 nan 0.000 0.439 215 M N 3.550 123.264 119.600 0.191 0.000 2.326 215 M HA 0.386 4.878 4.480 0.021 0.000 0.306 215 M C -0.394 175.989 176.300 0.139 0.000 1.054 215 M CA -0.681 54.694 55.300 0.125 0.000 0.922 215 M CB 1.887 34.549 32.600 0.103 0.000 1.632 215 M HN 0.686 nan 8.290 nan 0.000 0.436 216 E N 2.676 122.952 120.200 0.126 0.000 2.436 216 E HA 0.388 4.750 4.350 0.021 0.000 0.262 216 E C 0.099 176.776 176.600 0.129 0.000 1.063 216 E CA -0.003 56.510 56.400 0.189 0.000 0.944 216 E CB 0.397 30.240 29.700 0.239 0.000 0.950 216 E HN 0.814 nan 8.360 nan 0.000 0.444 217 G N 1.677 110.537 108.800 0.100 0.000 4.917 217 G HA2 0.247 4.219 3.960 0.021 0.000 0.244 217 G HA3 0.247 4.219 3.960 0.021 0.000 0.244 217 G C 0.375 175.254 174.900 -0.035 0.000 1.072 217 G CA -0.324 44.796 45.100 0.033 0.000 0.850 217 G HN 0.372 nan 8.290 nan 0.000 0.559 218 V N 1.255 121.133 119.914 -0.061 0.000 2.270 218 V HA -0.188 3.944 4.120 0.021 0.000 0.245 218 V C 3.114 179.193 176.094 -0.025 0.000 1.043 218 V CA 2.750 64.946 62.300 -0.174 0.000 1.014 218 V CB -0.334 31.126 31.823 -0.605 0.000 0.645 218 V HN 0.634 nan 8.190 nan 0.000 0.447 219 S N 1.648 117.371 115.700 0.038 0.000 2.399 219 S HA -0.163 4.320 4.470 0.021 0.000 0.231 219 S C 1.887 176.538 174.600 0.086 0.000 1.022 219 S CA 1.742 60.012 58.200 0.117 0.000 0.983 219 S CB -0.911 62.367 63.200 0.130 0.000 0.803 219 S HN 0.744 nan 8.310 nan 0.000 0.480 220 I N -0.333 120.247 120.570 0.017 0.000 3.444 220 I HA 0.154 4.336 4.170 0.021 0.000 0.287 220 I C 1.693 177.741 176.117 -0.115 0.000 1.302 220 I CA 0.474 61.760 61.300 -0.023 0.000 1.368 220 I CB -0.449 37.537 38.000 -0.023 0.000 1.048 220 I HN 0.095 nan 8.210 nan 0.000 0.487 221 S N 0.582 116.137 115.700 -0.241 0.000 2.489 221 S HA 0.197 4.679 4.470 0.021 0.000 0.228 221 S C 0.220 174.350 174.600 -0.783 0.000 0.995 221 S CA 0.669 58.515 58.200 -0.591 0.000 0.934 221 S CB -0.253 62.385 63.200 -0.937 0.000 0.771 221 S HN 0.416 nan 8.310 nan 0.000 0.522 222 F N 1.526 121.441 119.950 -0.059 0.000 2.499 222 F HA 0.439 4.979 4.527 0.021 0.000 0.333 222 F C -2.650 173.131 175.800 -0.032 0.000 1.138 222 F CA -2.623 55.346 58.000 -0.052 0.000 0.945 222 F CB 0.748 39.708 39.000 -0.068 0.000 1.181 222 F HN -0.178 nan 8.300 nan 0.000 0.435 223 P HA -0.001 nan 4.420 nan 0.000 0.269 223 P C -0.364 176.983 177.300 0.077 0.000 1.209 223 P CA -0.352 62.788 63.100 0.067 0.000 0.776 223 P CB 0.620 32.346 31.700 0.043 0.000 0.876 224 E N 2.709 122.941 120.200 0.053 0.000 2.480 224 E HA -0.057 4.305 4.350 0.021 0.000 0.258 224 E C -0.157 176.465 176.600 0.038 0.000 0.984 224 E CA 0.042 56.467 56.400 0.043 0.000 0.930 224 E CB 0.380 30.097 29.700 0.029 0.000 0.936 224 E HN 0.248 nan 8.360 nan 0.000 0.466 225 R N 2.798 123.319 120.500 0.035 0.000 2.541 225 R HA 0.208 4.560 4.340 0.021 0.000 0.263 225 R C -0.035 176.280 176.300 0.026 0.000 1.112 225 R CA -0.856 55.263 56.100 0.031 0.000 1.170 225 R CB 0.457 30.775 30.300 0.030 0.000 1.167 225 R HN 0.525 nan 8.270 nan 0.000 0.582 226 E N 1.959 122.175 120.200 0.025 0.000 2.373 226 E HA 0.117 4.479 4.350 0.021 0.000 0.267 226 E C -2.035 174.580 176.600 0.025 0.000 1.032 226 E CA -1.648 54.766 56.400 0.023 0.000 0.889 226 E CB 0.299 30.012 29.700 0.022 0.000 0.984 226 E HN 0.281 nan 8.360 nan 0.000 0.425 227 P HA -0.029 nan 4.420 nan 0.000 0.262 227 P C -0.421 176.898 177.300 0.032 0.000 1.199 227 P CA 0.061 63.175 63.100 0.023 0.000 0.763 227 P CB 0.303 32.014 31.700 0.017 0.000 0.790 228 D N 4.777 125.203 120.400 0.043 0.000 2.358 228 D HA 0.049 4.701 4.640 0.021 0.000 0.258 228 D C -1.459 174.876 176.300 0.058 0.000 1.223 228 D CA -1.957 52.081 54.000 0.063 0.000 0.886 228 D CB 0.704 41.559 40.800 0.092 0.000 1.120 228 D HN 0.156 nan 8.370 nan 0.000 0.482 229 P HA -0.011 nan 4.420 nan 0.000 0.222 229 P C 0.695 178.030 177.300 0.058 0.000 1.147 229 P CA 0.686 63.812 63.100 0.045 0.000 0.790 229 P CB 0.241 31.963 31.700 0.037 0.000 0.780 230 A N -0.998 121.882 122.820 0.100 0.000 2.167 230 A HA -0.068 4.264 4.320 0.021 0.000 0.214 230 A C 1.329 178.970 177.584 0.096 0.000 1.151 230 A CA 0.370 52.494 52.037 0.146 0.000 0.735 230 A CB -0.776 18.404 19.000 0.301 0.000 0.802 230 A HN 0.223 nan 8.150 nan 0.000 0.467 231 Q N 0.092 119.934 119.800 0.070 0.000 2.271 231 Q HA 0.581 4.934 4.340 0.021 0.000 0.258 231 Q C -1.163 174.813 176.000 -0.039 0.000 0.936 231 Q CA -0.512 55.305 55.803 0.025 0.000 0.909 231 Q CB 0.805 29.575 28.738 0.053 0.000 1.253 231 Q HN 0.455 nan 8.270 nan 0.000 0.440 232 I N 3.065 123.571 120.570 -0.106 0.000 2.395 232 I HA 0.266 4.448 4.170 0.021 0.000 0.289 232 I C 0.043 176.054 176.117 -0.178 0.000 1.023 232 I CA -0.434 60.747 61.300 -0.199 0.000 1.350 232 I CB 1.421 39.191 38.000 -0.383 0.000 1.409 232 I HN 0.712 nan 8.210 nan 0.000 0.507 233 A N 7.198 129.937 122.820 -0.134 0.000 2.396 233 A HA 0.487 4.819 4.320 0.021 0.000 0.279 233 A C -0.330 177.205 177.584 -0.081 0.000 1.165 233 A CA -0.162 51.828 52.037 -0.078 0.000 0.824 233 A CB 0.059 19.040 19.000 -0.032 0.000 1.100 233 A HN 0.480 nan 8.150 nan 0.000 0.516 234 V N 3.678 123.556 119.914 -0.061 0.000 2.555 234 V HA 0.380 4.512 4.120 0.021 0.000 0.302 234 V C 0.961 177.046 176.094 -0.016 0.000 1.038 234 V CA 0.105 62.398 62.300 -0.011 0.000 0.887 234 V CB 1.871 33.680 31.823 -0.023 0.000 0.991 234 V HN 1.041 nan 8.190 nan 0.000 0.434 235 V N 0.973 120.892 119.914 0.009 0.000 3.605 235 V HA 0.520 4.652 4.120 0.021 0.000 0.284 235 V C 0.363 176.444 176.094 -0.021 0.000 1.386 235 V CA 0.748 63.023 62.300 -0.043 0.000 1.053 235 V CB 0.163 31.977 31.823 -0.015 0.000 0.857 235 V HN 0.939 nan 8.190 nan 0.000 0.436 236 S N -1.935 113.802 115.700 0.062 0.000 2.611 236 S HA 0.384 4.867 4.470 0.021 0.000 0.270 236 S C 0.209 174.849 174.600 0.067 0.000 1.131 236 S CA -0.212 58.069 58.200 0.136 0.000 0.826 236 S CB 1.378 64.627 63.200 0.082 0.000 1.095 236 S HN 0.057 nan 8.310 nan 0.000 0.461 237 E N 0.872 121.059 120.200 -0.020 0.000 2.085 237 E HA -0.180 4.182 4.350 0.021 0.000 0.194 237 E C 1.646 178.229 176.600 -0.027 0.000 0.994 237 E CA 1.834 58.166 56.400 -0.113 0.000 0.801 237 E CB -0.255 29.160 29.700 -0.475 0.000 0.743 237 E HN 0.770 nan 8.360 nan 0.000 0.453 238 E N 1.501 121.695 120.200 -0.011 0.000 2.085 238 E HA -0.202 4.160 4.350 0.021 0.000 0.194 238 E C 1.707 178.308 176.600 0.002 0.000 0.994 238 E CA 1.698 58.102 56.400 0.007 0.000 0.801 238 E CB -0.283 29.421 29.700 0.007 0.000 0.743 238 E HN 0.108 nan 8.360 nan 0.000 0.453 239 D N -0.551 119.859 120.400 0.016 0.000 2.117 239 D HA -0.155 4.498 4.640 0.021 0.000 0.197 239 D C 2.105 178.461 176.300 0.093 0.000 0.987 239 D CA 1.139 55.158 54.000 0.032 0.000 0.829 239 D CB -0.292 40.547 40.800 0.064 0.000 0.961 239 D HN 0.304 nan 8.370 nan 0.000 0.460 240 L N -0.268 121.003 121.223 0.081 0.000 2.013 240 L HA -0.196 4.157 4.340 0.021 0.000 0.212 240 L C 2.272 179.164 176.870 0.037 0.000 1.073 240 L CA 1.255 56.136 54.840 0.069 0.000 0.753 240 L CB -0.191 41.876 42.059 0.014 0.000 0.890 240 L HN -0.007 nan 8.230 nan 0.000 0.432 241 V N -0.499 119.414 119.914 -0.002 0.000 2.427 241 V HA -0.235 3.897 4.120 0.021 0.000 0.248 241 V C 2.557 178.626 176.094 -0.042 0.000 1.051 241 V CA 1.432 63.709 62.300 -0.038 0.000 1.048 241 V CB -0.635 31.165 31.823 -0.039 0.000 0.666 241 V HN 0.519 nan 8.190 nan 0.000 0.456 242 Q N -0.734 119.038 119.800 -0.047 0.000 2.084 242 Q HA -0.185 4.167 4.340 0.021 0.000 0.202 242 Q C 2.253 178.187 176.000 -0.111 0.000 0.978 242 Q CA 1.504 57.250 55.803 -0.095 0.000 0.844 242 Q CB -0.517 28.138 28.738 -0.138 0.000 0.898 242 Q HN 0.697 nan 8.270 nan 0.000 0.426 243 H N 0.499 119.538 119.070 -0.052 0.000 2.321 243 H HA -0.082 4.486 4.556 0.020 0.000 0.300 243 H C 2.254 177.539 175.328 -0.072 0.000 1.087 243 H CA 1.179 57.194 56.048 -0.056 0.000 1.319 243 H CB -0.290 29.439 29.762 -0.055 0.000 1.379 243 H HN 0.171 nan 8.280 nan 0.000 0.501 244 L N 0.430 121.671 121.223 0.031 0.000 2.042 244 L HA -0.177 4.175 4.340 0.021 0.000 0.210 244 L C 2.441 179.275 176.870 -0.059 0.000 1.076 244 L CA 0.946 55.753 54.840 -0.056 0.000 0.749 244 L CB -0.341 41.641 42.059 -0.129 0.000 0.893 244 L HN -0.029 nan 8.230 nan 0.000 0.432 245 V N 0.073 119.953 119.914 -0.056 0.000 2.255 245 V HA -0.350 3.783 4.120 0.021 0.000 0.247 245 V C 2.716 178.786 176.094 -0.040 0.000 1.051 245 V CA 2.340 64.608 62.300 -0.053 0.000 1.018 245 V CB -0.815 30.975 31.823 -0.056 0.000 0.641 245 V HN 0.549 nan 8.190 nan 0.000 0.445 246 R N -0.158 120.320 120.500 -0.037 0.000 2.096 246 R HA -0.203 4.149 4.340 0.021 0.000 0.240 246 R C 2.310 178.605 176.300 -0.008 0.000 1.139 246 R CA 1.996 58.082 56.100 -0.024 0.000 0.952 246 R CB -0.417 29.871 30.300 -0.021 0.000 0.854 246 R HN 0.469 nan 8.270 nan 0.000 0.436 247 L N 0.499 121.721 121.223 -0.001 0.000 2.079 247 L HA -0.181 4.172 4.340 0.021 0.000 0.210 247 L C 2.449 179.311 176.870 -0.015 0.000 1.081 247 L CA 1.590 56.425 54.840 -0.008 0.000 0.752 247 L CB -0.398 41.648 42.059 -0.022 0.000 0.896 247 L HN 0.347 nan 8.230 nan 0.000 0.433 248 E N 0.062 120.248 120.200 -0.023 0.000 2.072 248 E HA -0.197 4.166 4.350 0.021 0.000 0.191 248 E C 2.310 178.903 176.600 -0.012 0.000 0.985 248 E CA 1.054 57.444 56.400 -0.017 0.000 0.801 248 E CB -0.120 29.565 29.700 -0.025 0.000 0.750 248 E HN 0.484 nan 8.360 nan 0.000 0.452 249 L N 0.836 122.049 121.223 -0.016 0.000 2.217 249 L HA -0.128 4.225 4.340 0.021 0.000 0.211 249 L C 2.025 178.890 176.870 -0.009 0.000 1.107 249 L CA 0.891 55.722 54.840 -0.014 0.000 0.783 249 L CB -0.239 41.809 42.059 -0.018 0.000 0.919 249 L HN 0.091 nan 8.230 nan 0.000 0.442 250 E N 0.028 120.224 120.200 -0.006 0.000 2.358 250 E HA -0.025 4.338 4.350 0.021 0.000 0.195 250 E C 0.212 176.813 176.600 0.001 0.000 1.010 250 E CA 0.341 56.740 56.400 -0.002 0.000 0.856 250 E CB 0.161 29.862 29.700 0.001 0.000 0.795 250 E HN 0.460 nan 8.360 nan 0.000 0.504 251 N N 1.050 119.751 118.700 0.002 0.000 2.723 251 N HA 0.092 4.844 4.740 0.021 0.000 0.290 251 N C -2.202 173.313 175.510 0.009 0.000 1.882 251 N CA -0.741 52.313 53.050 0.007 0.000 0.851 251 N CB 1.285 39.778 38.487 0.011 0.000 1.234 251 N HN 0.081 nan 8.380 nan 0.000 0.491 252 P HA -0.041 nan 4.420 nan 0.000 0.226 252 P C 0.070 177.373 177.300 0.005 0.000 1.153 252 P CA 1.013 64.113 63.100 0.001 0.000 0.777 252 P CB 0.409 32.106 31.700 -0.004 0.000 0.794 253 N N 0.468 119.174 118.700 0.011 0.000 2.762 253 N HA 0.268 5.021 4.740 0.021 0.000 0.252 253 N C -1.110 174.415 175.510 0.025 0.000 1.269 253 N CA -0.437 52.622 53.050 0.015 0.000 0.799 253 N CB 0.251 38.744 38.487 0.010 0.000 1.173 253 N HN -0.103 nan 8.380 nan 0.000 0.516 254 R N 1.286 121.809 120.500 0.038 0.000 2.907 254 R HA 0.077 4.429 4.340 0.021 0.000 0.246 254 R C -1.523 174.821 176.300 0.074 0.000 1.082 254 R CA -0.579 55.551 56.100 0.049 0.000 1.003 254 R CB 0.787 31.110 30.300 0.038 0.000 1.261 254 R HN 0.453 nan 8.270 nan 0.000 0.474 255 Q N 4.443 124.299 119.800 0.094 0.000 2.274 255 Q HA 0.245 4.597 4.340 0.021 0.000 0.280 255 Q C -0.878 175.177 176.000 0.091 0.000 1.047 255 Q CA 0.433 56.317 55.803 0.135 0.000 0.907 255 Q CB 0.544 29.379 28.738 0.161 0.000 1.171 255 Q HN 0.432 nan 8.270 nan 0.000 0.381 256 I N 3.945 124.569 120.570 0.090 0.000 2.466 256 I HA 0.396 4.578 4.170 0.021 0.000 0.289 256 I C -0.285 175.808 176.117 -0.040 0.000 1.026 256 I CA -0.719 60.605 61.300 0.040 0.000 1.078 256 I CB 2.118 40.148 38.000 0.050 0.000 1.249 256 I HN 0.695 nan 8.210 nan 0.000 0.429 257 T N 2.309 116.825 114.554 -0.063 0.000 2.887 257 T HA 0.845 5.208 4.350 0.021 0.000 0.292 257 T C -0.720 174.098 174.700 0.196 0.000 1.087 257 T CA -0.745 61.267 62.100 -0.147 0.000 1.009 257 T CB 2.393 70.910 68.868 -0.585 0.000 1.203 257 T HN 0.543 nan 8.240 nan 0.000 0.518 258 F N -0.906 119.049 119.950 0.009 0.000 2.745 258 F HA 0.881 5.420 4.527 0.020 0.000 0.316 258 F C -1.667 174.269 175.800 0.226 0.000 1.155 258 F CA -1.014 56.971 58.000 -0.026 0.000 0.937 258 F CB 1.478 40.419 39.000 -0.099 0.000 1.361 258 F HN 0.807 nan 8.300 nan 0.000 0.472 259 N N -0.792 117.905 118.700 -0.006 0.000 2.591 259 N HA 0.730 5.482 4.740 0.021 0.000 0.263 259 N C -1.140 174.440 175.510 0.116 0.000 1.308 259 N CA -0.012 53.026 53.050 -0.020 0.000 0.837 259 N CB 2.497 41.167 38.487 0.304 0.000 1.548 259 N HN 1.274 nan 8.380 nan 0.000 0.493 260 G N -0.402 108.536 108.800 0.230 0.000 2.866 260 G HA2 0.396 4.369 3.960 0.021 0.000 0.289 260 G HA3 0.396 4.369 3.960 0.021 0.000 0.289 260 G C -1.991 173.162 174.900 0.421 0.000 1.396 260 G CA -0.397 44.832 45.100 0.215 0.000 0.848 260 G HN 0.391 nan 8.290 nan 0.000 0.515 261 Y N 0.985 121.459 120.300 0.291 0.000 2.320 261 Y HA 0.475 5.039 4.550 0.023 0.000 0.334 261 Y C -1.518 174.583 175.900 0.334 0.000 1.055 261 Y CA -2.069 56.185 58.100 0.257 0.000 1.143 261 Y CB 2.521 41.088 38.460 0.179 0.000 1.193 261 Y HN 0.261 nan 8.280 nan 0.000 0.477 262 P HA -0.131 nan 4.420 nan 0.000 0.220 262 P C 0.968 178.195 177.300 -0.122 0.000 1.148 262 P CA 1.890 64.816 63.100 -0.290 0.000 0.803 262 P CB 0.159 31.584 31.700 -0.459 0.000 0.782 263 A N -0.480 122.317 122.820 -0.039 0.000 2.070 263 A HA -0.145 4.187 4.320 0.021 0.000 0.220 263 A C 1.682 179.421 177.584 0.259 0.000 1.159 263 A CA 1.005 53.144 52.037 0.170 0.000 0.656 263 A CB -1.260 17.966 19.000 0.377 0.000 0.800 263 A HN 0.108 nan 8.150 nan 0.000 0.453 264 N N 0.971 119.884 118.700 0.354 0.000 3.245 264 N HA 0.186 4.938 4.740 0.021 0.000 0.296 264 N C 0.869 176.604 175.510 0.374 0.000 1.254 264 N CA 0.042 53.303 53.050 0.352 0.000 1.190 264 N CB 0.182 38.879 38.487 0.351 0.000 1.460 264 N HN 0.107 nan 8.380 nan 0.000 0.538 265 V N 0.742 120.801 119.914 0.240 0.000 2.427 265 V HA -0.162 3.970 4.120 0.021 0.000 0.248 265 V C 2.006 178.226 176.094 0.210 0.000 1.051 265 V CA 1.397 63.812 62.300 0.191 0.000 1.048 265 V CB -0.285 31.506 31.823 -0.053 0.000 0.666 265 V HN 0.513 nan 8.190 nan 0.000 0.456 266 E N 0.014 120.218 120.200 0.006 0.000 2.150 266 E HA -0.219 4.144 4.350 0.021 0.000 0.193 266 E C 2.426 178.827 176.600 -0.333 0.000 0.985 266 E CA 0.904 57.099 56.400 -0.343 0.000 0.814 266 E CB -0.121 29.100 29.700 -0.799 0.000 0.752 266 E HN 0.501 nan 8.360 nan 0.000 0.466 267 R N 0.235 120.707 120.500 -0.047 0.000 2.073 267 R HA -0.153 4.199 4.340 0.021 0.000 0.234 267 R C 2.037 178.325 176.300 -0.020 0.000 1.134 267 R CA 1.289 57.444 56.100 0.092 0.000 0.952 267 R CB -0.225 30.139 30.300 0.106 0.000 0.850 267 R HN 0.076 nan 8.270 nan 0.000 0.433 268 F N 0.808 120.798 119.950 0.068 0.000 2.095 268 F HA -0.179 4.362 4.527 0.023 0.000 0.298 268 F C 2.637 178.444 175.800 0.011 0.000 1.104 268 F CA 1.522 59.575 58.000 0.089 0.000 1.232 268 F CB -0.704 38.372 39.000 0.126 0.000 0.987 268 F HN 0.191 nan 8.300 nan 0.000 0.475 269 A N 0.107 123.010 122.820 0.138 0.000 1.892 269 A HA -0.232 4.101 4.320 0.021 0.000 0.218 269 A C 2.308 179.835 177.584 -0.096 0.000 1.188 269 A CA 1.822 53.821 52.037 -0.063 0.000 0.631 269 A CB -0.537 18.246 19.000 -0.363 0.000 0.822 269 A HN 0.180 nan 8.150 nan 0.000 0.447 270 K N -0.363 119.978 120.400 -0.099 0.000 2.057 270 K HA -0.018 4.314 4.320 0.021 0.000 0.206 270 K C 1.877 178.438 176.600 -0.065 0.000 1.050 270 K CA 1.244 57.487 56.287 -0.073 0.000 0.935 270 K CB -0.637 31.852 32.500 -0.019 0.000 0.715 270 K HN 0.627 nan 8.250 nan 0.000 0.439 271 I N 1.102 121.624 120.570 -0.080 0.000 2.163 271 I HA -0.290 3.892 4.170 0.021 0.000 0.243 271 I C 2.333 178.406 176.117 -0.074 0.000 1.085 271 I CA 1.203 62.423 61.300 -0.133 0.000 1.347 271 I CB -0.330 37.499 38.000 -0.284 0.000 1.044 271 I HN 0.027 nan 8.210 nan 0.000 0.408 272 I N 0.407 120.972 120.570 -0.009 0.000 2.194 272 I HA -0.342 3.840 4.170 0.021 0.000 0.246 272 I C 2.643 178.757 176.117 -0.005 0.000 1.093 272 I CA 1.595 62.910 61.300 0.025 0.000 1.355 272 I CB -0.477 37.560 38.000 0.063 0.000 1.046 272 I HN 0.348 nan 8.210 nan 0.000 0.413 273 E N 1.238 121.419 120.200 -0.032 0.000 2.077 273 E HA -0.230 4.132 4.350 0.021 0.000 0.193 273 E C 1.905 178.484 176.600 -0.034 0.000 0.989 273 E CA 1.322 57.698 56.400 -0.040 0.000 0.800 273 E CB 0.185 29.848 29.700 -0.062 0.000 0.746 273 E HN 0.449 nan 8.360 nan 0.000 0.452 274 K N 0.016 120.391 120.400 -0.042 0.000 2.367 274 K HA 0.103 4.435 4.320 0.021 0.000 0.195 274 K C 0.654 177.228 176.600 -0.044 0.000 1.060 274 K CA -0.065 56.197 56.287 -0.042 0.000 1.022 274 K CB 0.740 33.211 32.500 -0.048 0.000 0.894 274 K HN -0.111 nan 8.250 nan 0.000 0.540 275 S N 2.645 118.315 115.700 -0.049 0.000 2.546 275 S HA 0.041 4.523 4.470 0.021 0.000 0.290 275 S C -1.774 172.812 174.600 -0.023 0.000 1.262 275 S CA -1.211 56.960 58.200 -0.049 0.000 1.083 275 S CB 0.657 63.825 63.200 -0.054 0.000 0.859 275 S HN -0.044 nan 8.310 nan 0.000 0.495 276 P HA -0.052 nan 4.420 nan 0.000 0.216 276 P C 0.003 177.297 177.300 -0.009 0.000 1.150 276 P CA 1.069 64.158 63.100 -0.018 0.000 0.837 276 P CB 0.152 31.839 31.700 -0.022 0.000 0.786 277 R N -0.329 120.171 120.500 0.000 0.000 2.490 277 R HA 0.295 4.647 4.340 0.021 0.000 0.278 277 R C 0.091 176.427 176.300 0.060 0.000 1.069 277 R CA -0.241 55.868 56.100 0.015 0.000 1.080 277 R CB 0.012 30.337 30.300 0.041 0.000 1.030 277 R HN -0.042 nan 8.270 nan 0.000 0.491 278 T N 2.391 116.989 114.554 0.074 0.000 2.866 278 T HA 0.018 4.380 4.350 0.021 0.000 0.293 278 T C 0.311 175.190 174.700 0.298 0.000 1.005 278 T CA -0.085 62.120 62.100 0.175 0.000 1.162 278 T CB 0.243 69.246 68.868 0.226 0.000 0.968 278 T HN 0.160 nan 8.240 nan 0.000 0.530 279 V N 4.908 124.967 119.914 0.242 0.000 2.546 279 V HA 0.343 4.475 4.120 0.021 0.000 0.284 279 V C 0.262 176.541 176.094 0.308 0.000 1.050 279 V CA -0.494 61.980 62.300 0.289 0.000 0.981 279 V CB 1.451 33.409 31.823 0.226 0.000 0.990 279 V HN 0.667 nan 8.190 nan 0.000 0.474 280 V N 6.232 126.367 119.914 0.368 0.000 2.483 280 V HA 0.493 4.625 4.120 0.021 0.000 0.297 280 V C -0.244 176.102 176.094 0.421 0.000 1.027 280 V CA -0.454 62.016 62.300 0.283 0.000 0.855 280 V CB 1.566 33.426 31.823 0.062 0.000 0.995 280 V HN 0.623 nan 8.190 nan 0.000 0.424 281 L N 2.364 123.794 121.223 0.344 0.000 2.334 281 L HA 0.599 4.952 4.340 0.021 0.000 0.270 281 L C 0.583 177.547 176.870 0.158 0.000 1.018 281 L CA -0.696 54.317 54.840 0.290 0.000 0.811 281 L CB 1.540 43.699 42.059 0.167 0.000 1.271 281 L HN 0.602 nan 8.230 nan 0.000 0.443 282 E N 0.812 120.989 120.200 -0.038 0.000 2.415 282 E HA -0.009 4.354 4.350 0.021 0.000 0.262 282 E C 0.564 176.948 176.600 -0.359 0.000 1.038 282 E CA 0.446 56.558 56.400 -0.479 0.000 0.921 282 E CB 1.630 31.102 29.700 -0.379 0.000 0.950 282 E HN 0.709 nan 8.360 nan 0.000 0.438 283 A N 5.549 128.092 122.820 -0.460 0.000 1.908 283 A HA -0.236 4.096 4.320 0.021 0.000 0.218 283 A C 1.733 179.084 177.584 -0.388 0.000 1.181 283 A CA 1.679 53.416 52.037 -0.499 0.000 0.627 283 A CB -0.358 18.168 19.000 -0.789 0.000 0.818 283 A HN 0.759 nan 8.150 nan 0.000 0.445 284 N N -1.178 117.348 118.700 -0.290 0.000 2.244 284 N HA -0.133 4.619 4.740 0.021 0.000 0.183 284 N C 1.667 177.014 175.510 -0.271 0.000 1.016 284 N CA 1.685 54.590 53.050 -0.241 0.000 0.866 284 N CB -0.261 38.109 38.487 -0.195 0.000 0.980 284 N HN 0.496 nan 8.380 nan 0.000 0.430 285 M N 1.488 120.906 119.600 -0.304 0.000 2.132 285 M HA 0.020 4.512 4.480 0.021 0.000 0.263 285 M C 2.020 178.141 176.300 -0.299 0.000 1.065 285 M CA 1.028 56.106 55.300 -0.370 0.000 1.122 285 M CB -0.452 31.858 32.600 -0.483 0.000 1.365 285 M HN 0.121 nan 8.290 nan 0.000 0.411 286 A N -0.249 122.426 122.820 -0.243 0.000 1.908 286 A HA -0.032 4.301 4.320 0.021 0.000 0.218 286 A C 2.356 179.811 177.584 -0.216 0.000 1.181 286 A CA 2.174 54.097 52.037 -0.190 0.000 0.627 286 A CB -1.446 17.432 19.000 -0.204 0.000 0.818 286 A HN 0.622 nan 8.150 nan 0.000 0.445 287 A N -0.675 121.985 122.820 -0.267 0.000 1.902 287 A HA -0.012 4.320 4.320 0.021 0.000 0.217 287 A C 2.115 179.589 177.584 -0.183 0.000 1.181 287 A CA 1.703 53.604 52.037 -0.227 0.000 0.623 287 A CB -0.624 18.241 19.000 -0.225 0.000 0.818 287 A HN 0.643 nan 8.150 nan 0.000 0.443 288 L N -0.709 120.394 121.223 -0.202 0.000 2.042 288 L HA -0.137 4.215 4.340 0.021 0.000 0.210 288 L C 2.271 179.031 176.870 -0.184 0.000 1.076 288 L CA 2.038 56.759 54.840 -0.198 0.000 0.749 288 L CB -0.712 41.207 42.059 -0.233 0.000 0.893 288 L HN 0.364 nan 8.230 nan 0.000 0.432 289 L N -1.242 119.889 121.223 -0.154 0.000 2.046 289 L HA -0.191 4.162 4.340 0.021 0.000 0.208 289 L C 2.310 179.161 176.870 -0.033 0.000 1.077 289 L CA 1.716 56.520 54.840 -0.059 0.000 0.747 289 L CB -0.627 41.427 42.059 -0.007 0.000 0.896 289 L HN 0.405 nan 8.230 nan 0.000 0.432 290 L N -0.558 120.625 121.223 -0.066 0.000 2.056 290 L HA -0.191 4.161 4.340 0.021 0.000 0.207 290 L C 2.422 179.252 176.870 -0.066 0.000 1.078 290 L CA 1.974 56.785 54.840 -0.049 0.000 0.749 290 L CB -0.795 41.219 42.059 -0.074 0.000 0.901 290 L HN 0.476 nan 8.230 nan 0.000 0.433 291 E N -0.963 119.173 120.200 -0.107 0.000 2.051 291 E HA -0.179 4.183 4.350 0.021 0.000 0.192 291 E C 2.001 178.515 176.600 -0.143 0.000 0.991 291 E CA 1.758 58.091 56.400 -0.113 0.000 0.799 291 E CB 0.020 29.645 29.700 -0.124 0.000 0.748 291 E HN 0.410 nan 8.360 nan 0.000 0.449 292 V N -0.108 119.662 119.914 -0.239 0.000 2.407 292 V HA -0.141 3.992 4.120 0.021 0.000 0.245 292 V C 1.477 177.281 176.094 -0.483 0.000 1.041 292 V CA 1.401 63.441 62.300 -0.434 0.000 1.040 292 V CB -0.266 31.128 31.823 -0.715 0.000 0.671 292 V HN 0.267 nan 8.190 nan 0.000 0.455 293 F N -0.206 119.690 119.950 -0.090 0.000 2.728 293 F HA 0.495 5.033 4.527 0.019 0.000 0.314 293 F C 1.824 177.593 175.800 -0.051 0.000 1.094 293 F CA 0.176 58.127 58.000 -0.082 0.000 1.217 293 F CB -0.121 38.806 39.000 -0.122 0.000 1.056 293 F HN 0.226 nan 8.300 nan 0.000 0.577 294 G N 1.592 110.450 108.800 0.097 0.000 2.168 294 G HA2 -0.329 3.643 3.960 0.021 0.000 0.257 294 G HA3 -0.329 3.643 3.960 0.021 0.000 0.257 294 G C 0.307 175.243 174.900 0.061 0.000 0.997 294 G CA 0.124 45.259 45.100 0.058 0.000 0.708 294 G HN 0.326 nan 8.290 nan 0.000 0.520 295 I N 0.766 121.388 120.570 0.087 0.000 2.395 295 I HA 0.273 4.455 4.170 0.021 0.000 0.289 295 I C 0.428 176.571 176.117 0.044 0.000 1.023 295 I CA -0.126 61.212 61.300 0.063 0.000 1.350 295 I CB 0.946 38.986 38.000 0.068 0.000 1.409 295 I HN 0.096 nan 8.210 nan 0.000 0.507 296 E N 5.800 126.026 120.200 0.043 0.000 2.129 296 E HA 0.442 4.805 4.350 0.021 0.000 0.268 296 E C -1.155 175.488 176.600 0.073 0.000 0.900 296 E CA -0.397 56.032 56.400 0.049 0.000 0.755 296 E CB 2.712 32.441 29.700 0.047 0.000 1.117 296 E HN 0.297 nan 8.360 nan 0.000 0.410 297 V N 3.490 123.461 119.914 0.095 0.000 2.960 297 V HA 0.424 4.557 4.120 0.021 0.000 0.315 297 V C -0.415 175.789 176.094 0.183 0.000 1.087 297 V CA -0.832 61.543 62.300 0.126 0.000 0.982 297 V CB 1.990 33.892 31.823 0.132 0.000 1.039 297 V HN 0.649 nan 8.190 nan 0.000 0.437 298 R N 3.023 123.613 120.500 0.151 0.000 2.734 298 R HA 0.396 4.748 4.340 0.021 0.000 0.266 298 R C -1.194 175.198 176.300 0.154 0.000 1.044 298 R CA 0.507 56.661 56.100 0.089 0.000 1.128 298 R CB 0.411 30.719 30.300 0.013 0.000 1.010 298 R HN 0.754 nan 8.270 nan 0.000 0.461 299 Y N -0.951 119.325 120.300 -0.040 0.000 2.638 299 Y HA 0.520 5.073 4.550 0.004 0.000 0.335 299 Y C -1.470 174.398 175.900 -0.054 0.000 1.155 299 Y CA -1.747 56.313 58.100 -0.066 0.000 1.046 299 Y CB 0.979 39.312 38.460 -0.212 0.000 1.303 299 Y HN 0.622 nan 8.280 nan 0.000 0.460 300 Y N -0.803 119.447 120.300 -0.083 0.000 2.545 300 Y HA 0.750 5.312 4.550 0.020 0.000 0.348 300 Y C -2.021 173.817 175.900 -0.102 0.000 1.002 300 Y CA -2.096 55.920 58.100 -0.139 0.000 1.039 300 Y CB 1.381 39.764 38.460 -0.127 0.000 1.271 300 Y HN 0.636 nan 8.280 nan 0.000 0.467 301 Y N 1.979 122.261 120.300 -0.031 0.000 2.336 301 Y HA 0.530 5.085 4.550 0.008 0.000 0.335 301 Y C 0.722 176.489 175.900 -0.222 0.000 1.046 301 Y CA -0.018 57.996 58.100 -0.145 0.000 1.198 301 Y CB 1.929 40.375 38.460 -0.023 0.000 1.182 301 Y HN 0.901 nan 8.280 nan 0.000 0.502 302 A N 2.857 125.572 122.820 -0.174 0.000 2.387 302 A HA 0.306 4.638 4.320 0.021 0.000 0.234 302 A C 0.195 177.736 177.584 -0.072 0.000 1.253 302 A CA 0.013 51.956 52.037 -0.157 0.000 0.894 302 A CB -0.068 18.800 19.000 -0.219 0.000 0.963 302 A HN 0.801 nan 8.150 nan 0.000 0.508 303 E N -1.082 119.116 120.200 -0.005 0.000 2.429 303 E HA 0.482 4.844 4.350 0.021 0.000 0.276 303 E C -0.895 175.671 176.600 -0.056 0.000 0.953 303 E CA -0.780 55.605 56.400 -0.025 0.000 0.787 303 E CB 1.736 31.422 29.700 -0.024 0.000 1.307 303 E HN 0.137 nan 8.360 nan 0.000 0.458 304 S N 0.252 115.902 115.700 -0.083 0.000 2.603 304 S HA 0.673 5.156 4.470 0.021 0.000 0.268 304 S C 0.272 174.756 174.600 -0.194 0.000 1.317 304 S CA 0.283 58.404 58.200 -0.132 0.000 1.012 304 S CB 1.081 64.229 63.200 -0.086 0.000 0.926 304 S HN 0.830 nan 8.310 nan 0.000 0.539 305 G N 1.772 110.421 108.800 -0.251 0.000 2.660 305 G HA2 -0.066 3.907 3.960 0.021 0.000 0.247 305 G HA3 -0.066 3.907 3.960 0.021 0.000 0.247 305 G C -1.572 173.040 174.900 -0.480 0.000 1.328 305 G CA -0.748 44.196 45.100 -0.260 0.000 0.884 305 G HN 0.591 nan 8.290 nan 0.000 0.531 306 K N -0.655 119.560 120.400 -0.309 0.000 2.469 306 K HA 0.583 4.915 4.320 0.021 0.000 0.254 306 K C -0.601 175.984 176.600 -0.025 0.000 0.939 306 K CA -0.816 55.324 56.287 -0.244 0.000 0.812 306 K CB 2.476 34.912 32.500 -0.106 0.000 1.301 306 K HN 0.503 nan 8.250 nan 0.000 0.433 307 I N 4.268 124.925 120.570 0.144 0.000 2.304 307 I HA 0.142 4.325 4.170 0.021 0.000 0.291 307 I C -1.211 174.917 176.117 0.019 0.000 1.018 307 I CA -2.088 59.242 61.300 0.049 0.000 1.260 307 I CB 1.355 39.358 38.000 0.005 0.000 1.390 307 I HN 0.322 nan 8.210 nan 0.000 0.475 308 P HA -0.157 nan 4.420 nan 0.000 0.218 308 P C 0.966 178.258 177.300 -0.014 0.000 1.148 308 P CA 1.275 64.373 63.100 -0.004 0.000 0.822 308 P CB 0.349 32.041 31.700 -0.012 0.000 0.784 309 E N -0.522 119.654 120.200 -0.041 0.000 2.204 309 E HA -0.003 4.360 4.350 0.021 0.000 0.194 309 E C 0.861 177.423 176.600 -0.063 0.000 0.989 309 E CA 0.314 56.683 56.400 -0.053 0.000 0.824 309 E CB -0.573 29.081 29.700 -0.075 0.000 0.756 309 E HN 0.296 nan 8.360 nan 0.000 0.477 310 L N 1.630 122.795 121.223 -0.096 0.000 2.397 310 L HA 0.127 4.479 4.340 0.021 0.000 0.271 310 L C 0.492 177.374 176.870 0.020 0.000 1.148 310 L CA -0.648 54.107 54.840 -0.142 0.000 0.825 310 L CB 0.383 42.173 42.059 -0.449 0.000 1.117 310 L HN 0.037 nan 8.230 nan 0.000 0.456 311 N N 3.953 122.704 118.700 0.085 0.000 2.431 311 N HA 0.082 4.835 4.740 0.021 0.000 0.265 311 N C -1.834 173.816 175.510 0.234 0.000 1.184 311 N CA -1.608 51.523 53.050 0.135 0.000 0.943 311 N CB 1.299 39.854 38.487 0.114 0.000 1.080 311 N HN 0.248 nan 8.380 nan 0.000 0.477 312 P HA -0.097 nan 4.420 nan 0.000 0.217 312 P C 0.559 177.914 177.300 0.093 0.000 1.148 312 P CA 1.143 64.352 63.100 0.180 0.000 0.828 312 P CB 0.165 31.934 31.700 0.115 0.000 0.783 313 A N -1.205 121.655 122.820 0.067 0.000 2.209 313 A HA -0.023 4.310 4.320 0.021 0.000 0.212 313 A C 1.798 179.372 177.584 -0.016 0.000 1.158 313 A CA 0.826 52.875 52.037 0.021 0.000 0.742 313 A CB -1.229 17.788 19.000 0.029 0.000 0.790 313 A HN 0.181 nan 8.150 nan 0.000 0.472 314 L N -0.438 120.779 121.223 -0.009 0.000 2.628 314 L HA 0.162 4.515 4.340 0.021 0.000 0.229 314 L C 0.776 177.343 176.870 -0.505 0.000 1.137 314 L CA -0.136 54.653 54.840 -0.085 0.000 0.909 314 L CB 0.078 42.211 42.059 0.123 0.000 1.137 314 L HN 0.425 nan 8.230 nan 0.000 0.470 315 E N 1.644 121.483 120.200 -0.601 0.000 2.313 315 E HA 0.224 4.586 4.350 0.021 0.000 0.276 315 E C -0.689 175.652 176.600 -0.432 0.000 1.031 315 E CA -0.457 55.419 56.400 -0.873 0.000 0.857 315 E CB 0.963 30.392 29.700 -0.453 0.000 1.040 315 E HN 0.010 nan 8.360 nan 0.000 0.408 316 I N 5.905 126.230 120.570 -0.409 0.000 2.404 316 I HA 0.303 4.485 4.170 0.021 0.000 0.293 316 I C -2.226 173.777 176.117 -0.190 0.000 0.992 316 I CA -2.988 58.140 61.300 -0.286 0.000 1.149 316 I CB 0.878 38.634 38.000 -0.407 0.000 1.315 316 I HN 0.391 nan 8.210 nan 0.000 0.446 317 P HA 0.020 nan 4.420 nan 0.000 0.268 317 P C 0.638 177.865 177.300 -0.123 0.000 1.204 317 P CA -0.007 63.052 63.100 -0.069 0.000 0.768 317 P CB 0.536 32.196 31.700 -0.067 0.000 0.842 318 Y N 3.739 123.931 120.300 -0.180 0.000 2.139 318 Y HA -0.329 4.232 4.550 0.019 0.000 0.282 318 Y C 1.957 177.646 175.900 -0.352 0.000 1.179 318 Y CA 2.384 60.283 58.100 -0.334 0.000 1.161 318 Y CB -0.926 37.459 38.460 -0.125 0.000 0.970 318 Y HN 0.395 nan 8.280 nan 0.000 0.511 319 D N -1.204 119.014 120.400 -0.304 0.000 2.133 319 D HA -0.181 4.472 4.640 0.021 0.000 0.195 319 D C 1.948 178.060 176.300 -0.314 0.000 0.997 319 D CA 2.235 56.035 54.000 -0.332 0.000 0.840 319 D CB -0.203 40.505 40.800 -0.153 0.000 0.947 319 D HN 0.440 nan 8.370 nan 0.000 0.452 320 T N 0.055 114.449 114.554 -0.265 0.000 2.777 320 T HA -0.099 4.263 4.350 0.021 0.000 0.266 320 T C 1.719 176.238 174.700 -0.303 0.000 1.040 320 T CA 0.494 62.463 62.100 -0.219 0.000 1.141 320 T CB -0.205 68.565 68.868 -0.163 0.000 0.868 320 T HN 0.067 nan 8.240 nan 0.000 0.444 321 L N 0.991 121.878 121.223 -0.561 0.000 2.042 321 L HA 0.041 4.394 4.340 0.021 0.000 0.210 321 L C 2.300 178.805 176.870 -0.608 0.000 1.076 321 L CA 1.374 55.694 54.840 -0.867 0.000 0.749 321 L CB -1.186 39.864 42.059 -1.682 0.000 0.893 321 L HN 0.300 nan 8.230 nan 0.000 0.432 322 L N -1.041 119.832 121.223 -0.583 0.000 2.191 322 L HA -0.235 4.117 4.340 0.021 0.000 0.212 322 L C 2.195 179.016 176.870 -0.082 0.000 1.103 322 L CA 1.142 55.814 54.840 -0.280 0.000 0.769 322 L CB -0.408 41.390 42.059 -0.434 0.000 0.908 322 L HN 0.280 nan 8.230 nan 0.000 0.438 323 K N -0.559 119.777 120.400 -0.106 0.000 2.400 323 K HA -0.026 4.306 4.320 0.021 0.000 0.194 323 K C 0.341 176.962 176.600 0.035 0.000 1.033 323 K CA -0.051 56.218 56.287 -0.030 0.000 1.021 323 K CB -0.040 32.431 32.500 -0.048 0.000 0.808 323 K HN 0.178 nan 8.250 nan 0.000 0.505 324 D N 1.060 121.509 120.400 0.082 0.000 2.382 324 D HA 0.021 4.673 4.640 0.021 0.000 0.245 324 D C 0.369 176.762 176.300 0.155 0.000 1.120 324 D CA 0.436 54.525 54.000 0.147 0.000 0.890 324 D CB 0.805 41.776 40.800 0.285 0.000 1.201 324 D HN -0.136 nan 8.370 nan 0.000 0.433 325 K N 1.054 121.513 120.400 0.098 0.000 2.521 325 K HA 0.083 4.415 4.320 0.021 0.000 0.213 325 K C 0.683 177.314 176.600 0.051 0.000 1.223 325 K CA 0.352 56.688 56.287 0.081 0.000 1.013 325 K CB 1.010 33.542 32.500 0.052 0.000 1.017 325 K HN 0.604 nan 8.250 nan 0.000 0.591 326 T N -3.148 111.418 114.554 0.020 0.000 3.098 326 T HA 0.100 4.462 4.350 0.021 0.000 0.256 326 T C 0.952 175.605 174.700 -0.079 0.000 0.921 326 T CA -0.009 62.077 62.100 -0.022 0.000 0.916 326 T CB 0.163 69.008 68.868 -0.038 0.000 1.246 326 T HN -0.220 nan 8.240 nan 0.000 0.511 327 D N 0.157 120.449 120.400 -0.181 0.000 2.324 327 D HA 0.263 4.915 4.640 0.021 0.000 0.212 327 D C -0.564 175.439 176.300 -0.495 0.000 0.984 327 D CA 0.594 54.326 54.000 -0.446 0.000 0.885 327 D CB 0.261 40.574 40.800 -0.811 0.000 0.996 327 D HN 0.433 nan 8.370 nan 0.000 0.505 328 Y N -0.057 120.318 120.300 0.123 0.000 2.468 328 Y HA 0.501 5.065 4.550 0.023 0.000 0.342 328 Y C -0.393 175.657 175.900 0.249 0.000 1.021 328 Y CA -1.393 56.821 58.100 0.190 0.000 1.079 328 Y CB 1.576 40.169 38.460 0.222 0.000 1.226 328 Y HN -0.274 nan 8.280 nan 0.000 0.460 329 L N 5.325 126.797 121.223 0.415 0.000 2.280 329 L HA 0.530 4.882 4.340 0.021 0.000 0.287 329 L C -1.211 175.993 176.870 0.556 0.000 1.023 329 L CA -0.706 54.345 54.840 0.352 0.000 0.819 329 L CB 0.252 42.402 42.059 0.152 0.000 1.212 329 L HN 0.685 nan 8.230 nan 0.000 0.420 330 W N 4.052 125.580 121.300 0.380 0.000 2.781 330 W HA 0.472 5.146 4.660 0.024 0.000 0.345 330 W C -1.188 175.502 176.519 0.285 0.000 1.085 330 W CA -0.977 56.568 57.345 0.334 0.000 1.198 330 W CB 1.146 30.666 29.460 0.100 0.000 1.423 330 W HN 0.712 nan 8.180 nan 0.000 0.532 331 Q N 2.494 122.522 119.800 0.380 0.000 2.337 331 Q HA 0.347 4.699 4.340 0.021 0.000 0.255 331 Q C -1.262 174.849 176.000 0.185 0.000 0.997 331 Q CA -0.242 55.476 55.803 -0.142 0.000 0.925 331 Q CB 1.584 30.250 28.738 -0.119 0.000 1.212 331 Q HN 0.473 nan 8.270 nan 0.000 0.436 332 V N 5.855 125.726 119.914 -0.072 0.000 2.439 332 V HA 0.276 4.408 4.120 0.021 0.000 0.282 332 V C 0.407 176.485 176.094 -0.027 0.000 1.039 332 V CA 0.089 62.342 62.300 -0.078 0.000 0.913 332 V CB 1.474 33.003 31.823 -0.491 0.000 0.983 332 V HN 0.791 nan 8.190 nan 0.000 0.460 333 V N 2.898 122.783 119.914 -0.048 0.000 3.562 333 V HA 0.531 4.663 4.120 0.021 0.000 0.270 333 V C 0.154 176.231 176.094 -0.028 0.000 1.418 333 V CA 0.752 63.067 62.300 0.024 0.000 1.033 333 V CB -0.254 31.591 31.823 0.037 0.000 0.820 333 V HN 0.931 nan 8.190 nan 0.000 0.441 334 N N -0.895 117.621 118.700 -0.307 0.000 3.387 334 N HA 0.162 4.914 4.740 0.021 0.000 0.294 334 N C -0.486 174.836 175.510 -0.313 0.000 1.519 334 N CA -0.175 52.763 53.050 -0.187 0.000 0.875 334 N CB 0.239 38.720 38.487 -0.009 0.000 1.657 334 N HN 0.095 nan 8.380 nan 0.000 0.527 335 Q N -0.648 119.134 119.800 -0.031 0.000 2.439 335 Q HA -0.189 4.163 4.340 0.021 0.000 0.325 335 Q C -0.406 175.627 176.000 0.055 0.000 1.372 335 Q CA 0.425 56.262 55.803 0.058 0.000 0.909 335 Q CB -1.887 26.911 28.738 0.101 0.000 1.167 335 Q HN 0.517 nan 8.270 nan 0.000 0.418 336 F N -0.384 119.630 119.950 0.107 0.000 2.451 336 F HA -0.116 4.424 4.527 0.023 0.000 0.299 336 F C 2.020 177.869 175.800 0.082 0.000 1.101 336 F CA 1.296 59.349 58.000 0.090 0.000 1.436 336 F CB 0.022 39.078 39.000 0.093 0.000 1.074 336 F HN 0.244 nan 8.300 nan 0.000 0.553 337 D N -0.110 120.427 120.400 0.228 0.000 2.350 337 D HA -0.135 4.518 4.640 0.021 0.000 0.216 337 D C 1.567 177.941 176.300 0.124 0.000 0.968 337 D CA 0.873 54.962 54.000 0.149 0.000 0.894 337 D CB -0.209 40.662 40.800 0.119 0.000 0.909 337 D HN 0.049 nan 8.370 nan 0.000 0.520 338 N N -0.446 118.339 118.700 0.142 0.000 2.353 338 N HA 0.072 4.824 4.740 0.021 0.000 0.185 338 N C 0.203 175.785 175.510 0.119 0.000 1.098 338 N CA 0.023 53.145 53.050 0.119 0.000 0.872 338 N CB 0.318 38.892 38.487 0.146 0.000 0.970 338 N HN 0.298 nan 8.380 nan 0.000 0.467 339 L N 1.435 122.744 121.223 0.143 0.000 2.473 339 L HA 0.069 4.421 4.340 0.021 0.000 0.268 339 L C 0.766 177.701 176.870 0.107 0.000 1.215 339 L CA -0.129 54.797 54.840 0.144 0.000 0.823 339 L CB 0.413 42.543 42.059 0.119 0.000 1.099 339 L HN -0.030 nan 8.230 nan 0.000 0.483 340 Q N 1.126 120.990 119.800 0.105 0.000 2.327 340 Q HA 0.099 4.451 4.340 0.021 0.000 0.254 340 Q C -0.338 175.701 176.000 0.064 0.000 0.952 340 Q CA -0.221 55.628 55.803 0.077 0.000 0.884 340 Q CB 0.836 29.622 28.738 0.079 0.000 1.224 340 Q HN 0.396 nan 8.270 nan 0.000 0.422 341 E N 0.463 120.693 120.200 0.049 0.000 2.465 341 E HA 0.060 4.423 4.350 0.021 0.000 0.260 341 E C 0.544 177.166 176.600 0.038 0.000 0.980 341 E CA 0.997 57.420 56.400 0.038 0.000 0.927 341 E CB -0.008 29.709 29.700 0.029 0.000 0.934 341 E HN 0.790 nan 8.360 nan 0.000 0.459 342 G N 3.080 111.901 108.800 0.035 0.000 2.176 342 G HA2 -0.329 3.643 3.960 0.021 0.000 0.253 342 G HA3 -0.329 3.643 3.960 0.021 0.000 0.253 342 G C 0.278 175.203 174.900 0.043 0.000 0.979 342 G CA 0.448 45.568 45.100 0.034 0.000 0.641 342 G HN 0.856 nan 8.290 nan 0.000 0.530 343 S N -0.760 114.972 115.700 0.054 0.000 2.641 343 S HA 0.767 5.249 4.470 0.021 0.000 0.261 343 S C -0.048 174.593 174.600 0.068 0.000 1.257 343 S CA -0.172 58.066 58.200 0.064 0.000 0.983 343 S CB 2.090 65.337 63.200 0.078 0.000 0.990 343 S HN 1.371 nan 8.310 nan 0.000 0.572 344 L N 1.200 122.465 121.223 0.070 0.000 2.341 344 L HA 0.614 4.966 4.340 0.021 0.000 0.278 344 L C -1.439 175.500 176.870 0.114 0.000 1.005 344 L CA -0.783 54.097 54.840 0.067 0.000 0.818 344 L CB 1.419 43.495 42.059 0.029 0.000 1.259 344 L HN 0.805 nan 8.230 nan 0.000 0.418 345 Y N 5.547 125.840 120.300 -0.011 0.000 2.350 345 Y HA 0.688 5.250 4.550 0.020 0.000 0.338 345 Y C -1.143 174.725 175.900 -0.052 0.000 0.961 345 Y CA -1.105 56.999 58.100 0.008 0.000 1.100 345 Y CB 1.313 39.818 38.460 0.075 0.000 1.179 345 Y HN 0.553 nan 8.280 nan 0.000 0.454 346 I N 6.628 126.797 120.570 -0.668 0.000 2.328 346 I HA 0.194 4.377 4.170 0.021 0.000 0.287 346 I C -0.450 175.206 176.117 -0.768 0.000 1.012 346 I CA -0.455 60.499 61.300 -0.576 0.000 1.195 346 I CB 0.735 38.588 38.000 -0.245 0.000 1.350 346 I HN 0.625 nan 8.210 nan 0.000 0.464 347 H N 5.650 124.215 119.070 -0.842 0.000 2.690 347 H HA 0.268 4.837 4.556 0.020 0.000 0.289 347 H C -0.588 174.653 175.328 -0.145 0.000 1.089 347 H CA -0.080 55.711 56.048 -0.429 0.000 1.299 347 H CB 1.211 30.832 29.762 -0.235 0.000 1.405 347 H HN 0.480 nan 8.280 nan 0.000 0.463 348 S N 5.098 120.669 115.700 -0.215 0.000 2.252 348 S HA 0.095 4.577 4.470 0.021 0.000 0.180 348 S C -0.095 174.449 174.600 -0.093 0.000 1.534 348 S CA -0.596 57.531 58.200 -0.121 0.000 1.141 348 S CB -0.283 62.874 63.200 -0.072 0.000 1.122 348 S HN 0.870 nan 8.310 nan 0.000 0.475 349 D N 0.814 121.149 120.400 -0.108 0.000 3.012 349 D HA -0.174 4.479 4.640 0.021 0.000 0.222 349 D C 0.379 176.690 176.300 0.020 0.000 1.167 349 D CA 1.212 55.198 54.000 -0.023 0.000 0.854 349 D CB -1.333 39.490 40.800 0.039 0.000 1.107 349 D HN 0.669 nan 8.370 nan 0.000 0.421 350 A N 0.004 122.745 122.820 -0.131 0.000 2.287 350 A HA 0.390 4.722 4.320 0.021 0.000 0.273 350 A C 0.741 178.422 177.584 0.161 0.000 1.091 350 A CA -0.250 51.833 52.037 0.077 0.000 0.817 350 A CB 0.666 19.738 19.000 0.121 0.000 1.069 350 A HN 0.101 nan 8.150 nan 0.000 0.492 351 Q N 0.931 120.910 119.800 0.299 0.000 2.340 351 Q HA 0.304 4.657 4.340 0.021 0.000 0.249 351 Q C -2.160 174.015 176.000 0.292 0.000 0.957 351 Q CA -1.605 54.368 55.803 0.283 0.000 0.882 351 Q CB 0.257 29.122 28.738 0.211 0.000 1.235 351 Q HN 0.522 nan 8.270 nan 0.000 0.439 352 P HA -0.026 nan 4.420 nan 0.000 0.271 352 P C 0.038 177.608 177.300 0.451 0.000 1.216 352 P CA -0.183 63.059 63.100 0.237 0.000 0.776 352 P CB 0.768 32.578 31.700 0.183 0.000 0.881 353 L N 1.729 123.075 121.223 0.204 0.000 2.072 353 L HA 0.206 4.558 4.340 0.021 0.000 0.205 353 L C 1.546 178.479 176.870 0.105 0.000 1.079 353 L CA 1.853 56.841 54.840 0.247 0.000 0.752 353 L CB -1.437 40.817 42.059 0.326 0.000 0.906 353 L HN 0.735 nan 8.230 nan 0.000 0.436 354 G N -2.772 105.819 108.800 -0.349 0.000 2.430 354 G HA2 0.078 4.051 3.960 0.021 0.000 0.300 354 G HA3 0.078 4.051 3.960 0.021 0.000 0.300 354 G C -0.421 173.910 174.900 -0.947 0.000 1.330 354 G CA -0.075 44.499 45.100 -0.877 0.000 0.813 354 G HN -0.181 nan 8.290 nan 0.000 0.487 355 D N -0.482 119.543 120.400 -0.625 0.000 2.312 355 D HA -0.047 4.605 4.640 0.021 0.000 0.211 355 D C 2.224 178.464 176.300 -0.101 0.000 0.964 355 D CA 1.058 54.915 54.000 -0.240 0.000 0.877 355 D CB -0.001 40.769 40.800 -0.049 0.000 0.924 355 D HN 0.329 nan 8.370 nan 0.000 0.515 356 F N 0.249 120.132 119.950 -0.112 0.000 2.408 356 F HA -0.004 4.535 4.527 0.020 0.000 0.300 356 F C 0.594 176.399 175.800 0.009 0.000 1.090 356 F CA 0.093 58.070 58.000 -0.038 0.000 1.427 356 F CB -0.352 38.618 39.000 -0.051 0.000 1.070 356 F HN -0.274 nan 8.300 nan 0.000 0.549 357 D N 1.607 121.507 120.400 -0.833 0.000 2.280 357 D HA 0.227 4.879 4.640 0.021 0.000 0.236 357 D C -1.909 174.283 176.300 -0.181 0.000 1.082 357 D CA -2.815 50.855 54.000 -0.550 0.000 0.834 357 D CB 1.827 42.215 40.800 -0.686 0.000 1.100 357 D HN -0.138 nan 8.370 nan 0.000 0.486 358 P HA -0.114 nan 4.420 nan 0.000 0.219 358 P C 1.108 178.402 177.300 -0.010 0.000 1.146 358 P CA 1.027 64.115 63.100 -0.020 0.000 0.808 358 P CB 0.322 32.019 31.700 -0.004 0.000 0.779 359 Q N -2.226 117.561 119.800 -0.021 0.000 2.291 359 Q HA -0.202 4.150 4.340 0.021 0.000 0.206 359 Q C 1.898 177.909 176.000 0.019 0.000 0.976 359 Q CA 0.988 56.781 55.803 -0.016 0.000 0.875 359 Q CB -0.544 28.171 28.738 -0.040 0.000 0.927 359 Q HN 0.312 nan 8.270 nan 0.000 0.450 360 Y N 1.218 121.458 120.300 -0.100 0.000 2.097 360 Y HA -0.301 4.261 4.550 0.020 0.000 0.282 360 Y C 2.481 178.322 175.900 -0.100 0.000 1.152 360 Y CA 1.887 59.940 58.100 -0.078 0.000 1.136 360 Y CB -0.029 38.361 38.460 -0.117 0.000 0.975 360 Y HN -0.069 nan 8.280 nan 0.000 0.498 361 R N 0.432 120.931 120.500 -0.001 0.000 2.096 361 R HA -0.170 4.183 4.340 0.021 0.000 0.240 361 R C 2.503 178.721 176.300 -0.137 0.000 1.139 361 R CA 1.778 57.823 56.100 -0.093 0.000 0.952 361 R CB -1.444 28.841 30.300 -0.025 0.000 0.854 361 R HN 0.458 nan 8.270 nan 0.000 0.436 362 V N 0.026 119.894 119.914 -0.078 0.000 2.407 362 V HA -0.157 3.975 4.120 0.021 0.000 0.248 362 V C 1.996 178.046 176.094 -0.073 0.000 1.055 362 V CA 2.056 64.316 62.300 -0.066 0.000 1.049 362 V CB -0.693 31.111 31.823 -0.032 0.000 0.662 362 V HN 0.331 nan 8.190 nan 0.000 0.455 363 F N 1.054 120.818 119.950 -0.310 0.000 2.075 363 F HA -0.091 4.448 4.527 0.021 0.000 0.297 363 F C 2.055 177.561 175.800 -0.490 0.000 1.113 363 F CA 2.164 59.907 58.000 -0.429 0.000 1.218 363 F CB -0.677 38.017 39.000 -0.510 0.000 0.984 363 F HN 0.156 nan 8.300 nan 0.000 0.472 364 L N -0.270 120.537 121.223 -0.692 0.000 2.083 364 L HA -0.217 4.136 4.340 0.021 0.000 0.209 364 L C 2.117 178.708 176.870 -0.464 0.000 1.083 364 L CA 1.661 56.012 54.840 -0.814 0.000 0.752 364 L CB -1.151 40.395 42.059 -0.855 0.000 0.899 364 L HN 0.098 nan 8.230 nan 0.000 0.433 365 D N 0.464 120.680 120.400 -0.306 0.000 2.097 365 D HA -0.177 4.476 4.640 0.021 0.000 0.195 365 D C 2.077 178.280 176.300 -0.162 0.000 0.989 365 D CA 1.013 54.900 54.000 -0.189 0.000 0.827 365 D CB -0.293 40.432 40.800 -0.125 0.000 0.966 365 D HN 0.174 nan 8.370 nan 0.000 0.456 366 L N 0.631 121.759 121.223 -0.159 0.000 2.012 366 L HA -0.139 4.214 4.340 0.021 0.000 0.210 366 L C 1.951 178.740 176.870 -0.134 0.000 1.073 366 L CA 1.613 56.390 54.840 -0.105 0.000 0.748 366 L CB -1.025 41.008 42.059 -0.044 0.000 0.891 366 L HN 0.050 nan 8.230 nan 0.000 0.431 367 L N -0.192 120.873 121.223 -0.264 0.000 2.046 367 L HA -0.142 4.211 4.340 0.021 0.000 0.208 367 L C 2.794 179.581 176.870 -0.139 0.000 1.077 367 L CA 1.200 55.901 54.840 -0.231 0.000 0.747 367 L CB -1.080 40.747 42.059 -0.387 0.000 0.896 367 L HN 0.432 nan 8.230 nan 0.000 0.432 368 A N 0.035 122.757 122.820 -0.163 0.000 1.865 368 A HA -0.226 4.107 4.320 0.021 0.000 0.217 368 A C 2.309 179.855 177.584 -0.064 0.000 1.191 368 A CA 1.651 53.624 52.037 -0.105 0.000 0.623 368 A CB -0.414 18.514 19.000 -0.119 0.000 0.826 368 A HN 0.228 nan 8.150 nan 0.000 0.444 369 K N -0.067 120.296 120.400 -0.062 0.000 2.218 369 K HA -0.128 4.204 4.320 0.021 0.000 0.205 369 K C 1.332 177.921 176.600 -0.018 0.000 1.046 369 K CA 1.467 57.733 56.287 -0.034 0.000 0.933 369 K CB -0.202 32.281 32.500 -0.029 0.000 0.728 369 K HN 0.529 nan 8.250 nan 0.000 0.454 370 K N 0.598 120.988 120.400 -0.017 0.000 2.417 370 K HA -0.034 4.298 4.320 0.021 0.000 0.196 370 K C -0.270 176.334 176.600 0.006 0.000 1.023 370 K CA -0.005 56.284 56.287 0.004 0.000 1.122 370 K CB 0.246 32.757 32.500 0.019 0.000 0.850 370 K HN -0.003 nan 8.250 nan 0.000 0.521 371 D N 1.291 121.688 120.400 -0.005 0.000 2.751 371 D HA -0.189 4.463 4.640 0.021 0.000 0.233 371 D C -0.913 175.396 176.300 0.015 0.000 1.149 371 D CA 0.559 54.561 54.000 0.003 0.000 0.682 371 D CB -1.170 39.635 40.800 0.008 0.000 1.068 371 D HN 0.261 nan 8.370 nan 0.000 0.429 372 I N 0.837 121.415 120.570 0.013 0.000 2.312 372 I HA 0.121 4.303 4.170 0.021 0.000 0.291 372 I C 0.876 177.023 176.117 0.051 0.000 1.031 372 I CA -0.477 60.847 61.300 0.039 0.000 1.293 372 I CB 1.297 39.323 38.000 0.044 0.000 1.403 372 I HN -0.107 nan 8.210 nan 0.000 0.484 373 T N 7.038 121.630 114.554 0.063 0.000 2.817 373 T HA 0.067 4.429 4.350 0.021 0.000 0.295 373 T C -0.392 174.383 174.700 0.125 0.000 0.958 373 T CA 0.193 62.337 62.100 0.074 0.000 1.157 373 T CB -0.124 68.771 68.868 0.045 0.000 0.898 373 T HN 0.257 nan 8.240 nan 0.000 0.536 374 F N 5.038 124.969 119.950 -0.033 0.000 2.410 374 F HA 0.575 5.115 4.527 0.020 0.000 0.349 374 F C -0.722 175.061 175.800 -0.027 0.000 1.117 374 F CA -0.843 57.139 58.000 -0.029 0.000 1.104 374 F CB 0.833 39.747 39.000 -0.142 0.000 1.122 374 F HN 0.238 nan 8.300 nan 0.000 0.483 375 V N 7.296 126.826 119.914 -0.640 0.000 2.443 375 V HA 0.382 4.515 4.120 0.021 0.000 0.293 375 V C -0.273 175.411 176.094 -0.684 0.000 1.021 375 V CA -0.924 61.092 62.300 -0.473 0.000 0.848 375 V CB 1.547 33.218 31.823 -0.254 0.000 0.998 375 V HN 0.731 nan 8.190 nan 0.000 0.424 376 R N 3.996 124.253 120.500 -0.404 0.000 2.242 376 R HA 0.446 4.798 4.340 0.021 0.000 0.334 376 R C -0.963 175.264 176.300 -0.121 0.000 1.071 376 R CA -0.467 55.534 56.100 -0.165 0.000 0.922 376 R CB 0.488 30.881 30.300 0.154 0.000 1.023 376 R HN 0.563 nan 8.270 nan 0.000 0.458 377 L N 4.927 126.072 121.223 -0.130 0.000 2.445 377 L HA 0.474 4.826 4.340 0.021 0.000 0.252 377 L C -1.074 175.755 176.870 -0.068 0.000 1.105 377 L CA -0.043 54.725 54.840 -0.119 0.000 0.943 377 L CB 1.179 43.153 42.059 -0.143 0.000 1.277 377 L HN 0.703 nan 8.230 nan 0.000 0.465 378 A N 2.658 125.458 122.820 -0.034 0.000 2.325 378 A HA 0.774 5.107 4.320 0.021 0.000 0.333 378 A C -0.922 176.668 177.584 0.009 0.000 1.155 378 A CA -0.510 51.527 52.037 0.001 0.000 0.814 378 A CB 1.421 20.442 19.000 0.035 0.000 1.206 378 A HN 0.668 nan 8.150 nan 0.000 0.482 379 C N 1.934 121.254 119.300 0.034 0.000 2.522 379 C HA 0.638 5.111 4.460 0.021 0.000 0.344 379 C C 0.479 175.544 174.990 0.125 0.000 1.104 379 C CA -0.410 58.655 59.018 0.079 0.000 1.317 379 C CB -0.094 27.690 27.740 0.074 0.000 1.896 379 C HN 1.067 nan 8.230 nan 0.000 0.443 380 S N 3.297 119.106 115.700 0.181 0.000 2.552 380 S HA 0.287 4.770 4.470 0.021 0.000 0.289 380 S C 1.473 176.178 174.600 0.175 0.000 1.304 380 S CA 0.845 59.164 58.200 0.199 0.000 1.063 380 S CB 0.760 64.100 63.200 0.235 0.000 0.848 380 S HN 1.193 nan 8.310 nan 0.000 0.499 381 G N 3.686 112.512 108.800 0.043 0.000 2.679 381 G HA2 0.023 3.995 3.960 0.021 0.000 0.212 381 G HA3 0.023 3.995 3.960 0.021 0.000 0.212 381 G C 0.507 175.383 174.900 -0.041 0.000 1.137 381 G CA 0.265 45.288 45.100 -0.128 0.000 0.787 381 G HN 0.813 nan 8.290 nan 0.000 0.534 382 H N -0.104 119.116 119.070 0.249 0.000 2.499 382 H HA 0.522 5.091 4.556 0.021 0.000 0.340 382 H C 0.169 175.636 175.328 0.231 0.000 1.148 382 H CA -0.659 55.522 56.048 0.223 0.000 1.215 382 H CB 1.696 31.580 29.762 0.203 0.000 1.529 382 H HN 0.115 nan 8.280 nan 0.000 0.510 383 A N 3.670 126.662 122.820 0.286 0.000 2.546 383 A HA 0.147 4.479 4.320 0.021 0.000 0.243 383 A C 1.042 178.756 177.584 0.218 0.000 1.063 383 A CA -0.305 51.873 52.037 0.235 0.000 0.757 383 A CB -0.783 18.310 19.000 0.156 0.000 0.991 383 A HN 0.703 nan 8.150 nan 0.000 0.503 384 I N 0.834 121.514 120.570 0.183 0.000 2.938 384 I HA 0.224 4.407 4.170 0.021 0.000 0.285 384 I C -1.876 174.291 176.117 0.084 0.000 1.182 384 I CA -1.648 59.712 61.300 0.098 0.000 1.388 384 I CB 0.135 38.144 38.000 0.016 0.000 1.390 384 I HN 0.344 nan 8.210 nan 0.000 0.600 385 P HA -0.214 nan 4.420 nan 0.000 0.216 385 P C 1.390 178.721 177.300 0.051 0.000 1.157 385 P CA 1.669 64.801 63.100 0.053 0.000 0.880 385 P CB 0.071 31.794 31.700 0.038 0.000 0.791 386 E N -0.770 119.456 120.200 0.044 0.000 2.114 386 E HA -0.239 4.123 4.350 0.021 0.000 0.199 386 E C 1.381 178.014 176.600 0.056 0.000 1.008 386 E CA 1.545 57.971 56.400 0.043 0.000 0.810 386 E CB -0.323 29.397 29.700 0.033 0.000 0.739 386 E HN 0.203 nan 8.360 nan 0.000 0.456 387 D N -0.334 120.108 120.400 0.069 0.000 2.234 387 D HA -0.062 4.591 4.640 0.021 0.000 0.205 387 D C 1.941 178.291 176.300 0.084 0.000 0.962 387 D CA 0.385 54.434 54.000 0.082 0.000 0.855 387 D CB -0.025 40.842 40.800 0.111 0.000 0.951 387 D HN 0.223 nan 8.370 nan 0.000 0.500 388 L N 0.907 122.181 121.223 0.085 0.000 2.017 388 L HA -0.181 4.172 4.340 0.021 0.000 0.208 388 L C 1.921 178.837 176.870 0.077 0.000 1.073 388 L CA 1.152 56.041 54.840 0.082 0.000 0.745 388 L CB -0.300 41.805 42.059 0.077 0.000 0.894 388 L HN -0.060 nan 8.230 nan 0.000 0.432 389 D N 0.170 120.613 120.400 0.071 0.000 2.149 389 D HA -0.185 4.468 4.640 0.021 0.000 0.198 389 D C 2.180 178.532 176.300 0.088 0.000 0.990 389 D CA 1.272 55.320 54.000 0.079 0.000 0.839 389 D CB -0.070 40.769 40.800 0.065 0.000 0.948 389 D HN 0.295 nan 8.370 nan 0.000 0.460 390 K N 0.146 120.589 120.400 0.071 0.000 2.097 390 K HA -0.016 4.316 4.320 0.021 0.000 0.205 390 K C 2.279 178.905 176.600 0.045 0.000 1.050 390 K CA 0.456 56.779 56.287 0.060 0.000 0.938 390 K CB 0.043 32.574 32.500 0.052 0.000 0.718 390 K HN 0.137 nan 8.250 nan 0.000 0.442 391 I N 0.791 121.394 120.570 0.055 0.000 2.202 391 I HA -0.280 3.902 4.170 0.021 0.000 0.242 391 I C 2.071 178.196 176.117 0.012 0.000 1.091 391 I CA 1.259 62.587 61.300 0.046 0.000 1.368 391 I CB -0.198 37.856 38.000 0.090 0.000 1.058 391 I HN 0.099 nan 8.210 nan 0.000 0.410 392 I N 0.732 121.330 120.570 0.047 0.000 2.208 392 I HA -0.307 3.875 4.170 0.021 0.000 0.245 392 I C 2.780 178.889 176.117 -0.013 0.000 1.097 392 I CA 1.394 62.725 61.300 0.053 0.000 1.363 392 I CB -0.530 37.550 38.000 0.132 0.000 1.051 392 I HN 0.189 nan 8.210 nan 0.000 0.413 393 A N 0.914 123.765 122.820 0.052 0.000 1.908 393 A HA -0.174 4.158 4.320 0.021 0.000 0.218 393 A C 2.294 179.726 177.584 -0.254 0.000 1.181 393 A CA 1.543 53.550 52.037 -0.050 0.000 0.627 393 A CB -0.906 18.172 19.000 0.129 0.000 0.818 393 A HN 0.390 nan 8.150 nan 0.000 0.445 394 L N -0.914 120.220 121.223 -0.149 0.000 2.083 394 L HA -0.138 4.214 4.340 0.021 0.000 0.209 394 L C 2.382 179.097 176.870 -0.257 0.000 1.083 394 L CA 1.148 55.884 54.840 -0.174 0.000 0.752 394 L CB -0.346 41.647 42.059 -0.111 0.000 0.899 394 L HN 0.380 nan 8.230 nan 0.000 0.433 395 I N -0.944 119.469 120.570 -0.262 0.000 2.400 395 I HA -0.122 4.061 4.170 0.021 0.000 0.248 395 I C 0.311 176.240 176.117 -0.314 0.000 1.109 395 I CA 0.255 61.381 61.300 -0.290 0.000 1.425 395 I CB 0.058 37.915 38.000 -0.238 0.000 1.094 395 I HN 0.194 nan 8.210 nan 0.000 0.425 396 E N 0.948 120.914 120.200 -0.391 0.000 2.302 396 E HA -0.156 4.206 4.350 0.021 0.000 0.186 396 E C -2.251 174.308 176.600 -0.068 0.000 1.444 396 E CA -0.369 55.778 56.400 -0.422 0.000 0.671 396 E CB -1.422 28.024 29.700 -0.423 0.000 1.122 396 E HN 0.324 nan 8.360 nan 0.000 0.366 397 P HA -0.043 nan 4.420 nan 0.000 0.275 397 P C 0.279 177.623 177.300 0.073 0.000 1.227 397 P CA 0.163 63.272 63.100 0.014 0.000 0.781 397 P CB 0.935 32.641 31.700 0.010 0.000 0.906 398 Q N 0.736 120.569 119.800 0.055 0.000 2.079 398 Q HA 0.010 4.362 4.340 0.021 0.000 0.200 398 Q C 0.243 176.277 176.000 0.057 0.000 0.974 398 Q CA 1.203 57.044 55.803 0.064 0.000 0.840 398 Q CB 0.034 28.804 28.738 0.052 0.000 0.898 398 Q HN 0.314 nan 8.270 nan 0.000 0.430 399 V N 1.110 121.049 119.914 0.042 0.000 2.638 399 V HA 0.305 4.438 4.120 0.021 0.000 0.306 399 V C -0.865 175.254 176.094 0.041 0.000 1.052 399 V CA -0.664 61.660 62.300 0.041 0.000 0.885 399 V CB 2.339 34.184 31.823 0.038 0.000 0.999 399 V HN 0.194 nan 8.190 nan 0.000 0.424 400 L N 5.349 126.598 121.223 0.044 0.000 2.307 400 L HA 0.691 5.044 4.340 0.021 0.000 0.284 400 L C -1.027 175.866 176.870 0.037 0.000 1.023 400 L CA -0.468 54.401 54.840 0.048 0.000 0.810 400 L CB 1.945 44.036 42.059 0.054 0.000 1.231 400 L HN 0.515 nan 8.230 nan 0.000 0.423 401 V N 6.081 126.029 119.914 0.056 0.000 2.284 401 V HA 0.306 4.438 4.120 0.021 0.000 0.274 401 V C -2.220 173.899 176.094 0.043 0.000 1.023 401 V CA -1.659 60.655 62.300 0.024 0.000 0.808 401 V CB 1.285 33.142 31.823 0.057 0.000 1.035 401 V HN 0.689 nan 8.190 nan 0.000 0.445 402 P HA 0.363 nan 4.420 nan 0.000 0.268 402 P C -0.354 176.969 177.300 0.040 0.000 1.204 402 P CA 0.286 63.406 63.100 0.034 0.000 0.768 402 P CB 0.609 32.312 31.700 0.005 0.000 0.842 403 I N -2.123 118.519 120.570 0.119 0.000 3.279 403 I HA 0.604 4.786 4.170 0.021 0.000 0.315 403 I C -0.506 175.758 176.117 0.244 0.000 1.187 403 I CA -1.437 59.969 61.300 0.177 0.000 0.953 403 I CB 1.696 39.871 38.000 0.290 0.000 1.279 403 I HN 0.157 nan 8.210 nan 0.000 0.465 404 H N 0.158 119.299 119.070 0.118 0.000 2.672 404 H HA -0.127 4.441 4.556 0.020 0.000 0.325 404 H C -0.922 174.426 175.328 0.033 0.000 1.158 404 H CA 1.271 57.382 56.048 0.105 0.000 1.134 404 H CB -1.124 28.748 29.762 0.184 0.000 1.553 404 H HN 0.995 nan 8.280 nan 0.000 0.419 405 T N 0.242 114.783 114.554 -0.022 0.000 3.047 405 T HA 0.416 4.778 4.350 0.021 0.000 0.340 405 T C 0.769 175.388 174.700 -0.136 0.000 1.421 405 T CA -0.432 61.607 62.100 -0.102 0.000 1.090 405 T CB 0.648 69.488 68.868 -0.048 0.000 1.292 405 T HN 0.207 nan 8.240 nan 0.000 0.480 406 L N 2.592 123.678 121.223 -0.227 0.000 2.567 406 L HA 0.410 4.762 4.340 0.021 0.000 0.225 406 L C 0.900 177.667 176.870 -0.173 0.000 1.119 406 L CA 0.313 55.022 54.840 -0.219 0.000 0.871 406 L CB -0.051 41.809 42.059 -0.331 0.000 1.036 406 L HN 0.463 nan 8.230 nan 0.000 0.459 407 K N 0.423 120.731 120.400 -0.155 0.000 3.029 407 K HA 0.214 4.546 4.320 0.021 0.000 0.169 407 K C -1.988 174.566 176.600 -0.076 0.000 1.090 407 K CA -1.076 55.145 56.287 -0.111 0.000 0.883 407 K CB 1.226 33.654 32.500 -0.119 0.000 1.080 407 K HN -0.188 nan 8.250 nan 0.000 0.613 408 P HA -0.161 nan 4.420 nan 0.000 0.222 408 P C 0.537 177.815 177.300 -0.037 0.000 1.147 408 P CA 1.073 64.147 63.100 -0.044 0.000 0.790 408 P CB 0.397 32.068 31.700 -0.048 0.000 0.780 409 E N 0.355 120.530 120.200 -0.041 0.000 2.338 409 E HA -0.109 4.253 4.350 0.021 0.000 0.197 409 E C 1.724 178.307 176.600 -0.027 0.000 1.007 409 E CA 0.720 57.100 56.400 -0.033 0.000 0.849 409 E CB -0.159 29.520 29.700 -0.034 0.000 0.774 409 E HN 0.422 nan 8.360 nan 0.000 0.506 410 K N 0.313 120.695 120.400 -0.030 0.000 2.366 410 K HA -0.021 4.311 4.320 0.021 0.000 0.198 410 K C 0.415 177.009 176.600 -0.009 0.000 1.044 410 K CA 0.109 56.383 56.287 -0.022 0.000 0.973 410 K CB 0.189 32.671 32.500 -0.029 0.000 0.767 410 K HN -0.035 nan 8.250 nan 0.000 0.475 411 L N 2.439 123.658 121.223 -0.006 0.000 2.268 411 L HA 0.112 4.464 4.340 0.021 0.000 0.289 411 L C -0.666 176.211 176.870 0.012 0.000 1.064 411 L CA 0.280 55.127 54.840 0.010 0.000 0.824 411 L CB 0.504 42.575 42.059 0.019 0.000 1.202 411 L HN -0.017 nan 8.230 nan 0.000 0.433 412 E N 2.746 122.955 120.200 0.015 0.000 2.202 412 E HA 0.300 4.662 4.350 0.021 0.000 0.272 412 E C -0.728 175.887 176.600 0.026 0.000 0.951 412 E CA -0.696 55.709 56.400 0.008 0.000 0.813 412 E CB 1.349 31.044 29.700 -0.009 0.000 1.151 412 E HN 0.331 nan 8.360 nan 0.000 0.398 413 N N 3.002 121.713 118.700 0.018 0.000 2.707 413 N HA 0.239 4.992 4.740 0.021 0.000 0.235 413 N C -2.228 173.254 175.510 -0.047 0.000 1.028 413 N CA -2.229 50.849 53.050 0.046 0.000 0.906 413 N CB 1.074 39.604 38.487 0.073 0.000 1.131 413 N HN 0.178 nan 8.380 nan 0.000 0.509 414 P HA -0.067 nan 4.420 nan 0.000 0.221 414 P C 0.090 177.090 177.300 -0.502 0.000 1.145 414 P CA 1.201 64.035 63.100 -0.443 0.000 0.795 414 P CB 0.067 31.314 31.700 -0.755 0.000 0.775 415 Y N -1.875 118.434 120.300 0.015 0.000 2.462 415 Y HA 0.412 4.975 4.550 0.021 0.000 0.261 415 Y C 1.711 177.623 175.900 0.019 0.000 1.146 415 Y CA 0.396 58.509 58.100 0.021 0.000 1.283 415 Y CB 0.166 38.644 38.460 0.030 0.000 1.090 415 Y HN -0.065 nan 8.280 nan 0.000 0.526 416 G N -1.272 107.589 108.800 0.101 0.000 2.512 416 G HA2 0.205 4.178 3.960 0.021 0.000 0.186 416 G HA3 0.205 4.178 3.960 0.021 0.000 0.186 416 G C -1.183 173.741 174.900 0.040 0.000 1.189 416 G CA -0.703 44.440 45.100 0.072 0.000 0.994 416 G HN -0.196 nan 8.290 nan 0.000 0.506 417 E N -0.000 120.223 120.200 0.039 0.000 2.254 417 E HA 0.661 5.023 4.350 0.021 0.000 0.258 417 E C -0.539 176.075 176.600 0.023 0.000 1.033 417 E CA -0.576 55.838 56.400 0.023 0.000 0.893 417 E CB 2.171 31.883 29.700 0.021 0.000 1.204 417 E HN 0.495 nan 8.360 nan 0.000 0.425 418 R N 0.675 121.181 120.500 0.010 0.000 2.651 418 R HA 0.519 4.871 4.340 0.021 0.000 0.278 418 R C -1.233 175.060 176.300 -0.012 0.000 1.010 418 R CA -0.459 55.643 56.100 0.003 0.000 0.896 418 R CB 1.057 31.356 30.300 -0.002 0.000 1.211 418 R HN 0.430 nan 8.270 nan 0.000 0.456 419 I N 5.320 125.874 120.570 -0.026 0.000 2.436 419 I HA 0.301 4.483 4.170 0.021 0.000 0.289 419 I C -0.628 175.431 176.117 -0.098 0.000 1.010 419 I CA -0.803 60.463 61.300 -0.057 0.000 1.098 419 I CB 2.005 39.969 38.000 -0.060 0.000 1.266 419 I HN 0.414 nan 8.210 nan 0.000 0.434 420 L N 8.305 129.468 121.223 -0.100 0.000 2.264 420 L HA 0.442 4.795 4.340 0.021 0.000 0.287 420 L C -2.100 174.669 176.870 -0.168 0.000 1.039 420 L CA -1.666 53.102 54.840 -0.119 0.000 0.829 420 L CB 0.443 42.455 42.059 -0.079 0.000 1.211 420 L HN 0.320 nan 8.230 nan 0.000 0.427 421 P HA 0.219 nan 4.420 nan 0.000 0.277 421 P C -1.055 176.123 177.300 -0.204 0.000 1.240 421 P CA -0.465 62.412 63.100 -0.371 0.000 0.798 421 P CB 1.230 32.402 31.700 -0.880 0.000 0.979 422 E N 0.726 120.848 120.200 -0.130 0.000 2.281 422 E HA 0.407 4.769 4.350 0.021 0.000 0.262 422 E C -0.373 176.228 176.600 0.001 0.000 0.933 422 E CA -1.334 55.035 56.400 -0.052 0.000 0.809 422 E CB 1.457 31.140 29.700 -0.028 0.000 1.242 422 E HN 0.285 nan 8.360 nan 0.000 0.418 423 R N 0.110 120.628 120.500 0.030 0.000 2.538 423 R HA 0.126 4.479 4.340 0.021 0.000 0.282 423 R C 0.692 177.040 176.300 0.080 0.000 1.009 423 R CA 1.639 57.783 56.100 0.072 0.000 1.063 423 R CB -0.331 30.010 30.300 0.068 0.000 0.945 423 R HN 0.947 nan 8.270 nan 0.000 0.414 424 G N 2.789 111.649 108.800 0.100 0.000 2.217 424 G HA2 -0.314 3.658 3.960 0.021 0.000 0.246 424 G HA3 -0.314 3.658 3.960 0.021 0.000 0.246 424 G C 0.071 175.007 174.900 0.060 0.000 0.990 424 G CA 0.302 45.450 45.100 0.080 0.000 0.627 424 G HN 0.689 nan 8.290 nan 0.000 0.522 425 E N 1.113 121.369 120.200 0.093 0.000 2.415 425 E HA 0.332 4.695 4.350 0.021 0.000 0.263 425 E C 0.308 177.000 176.600 0.153 0.000 0.995 425 E CA 0.202 56.665 56.400 0.105 0.000 0.915 425 E CB 0.171 29.915 29.700 0.074 0.000 0.951 425 E HN 0.546 nan 8.360 nan 0.000 0.449 426 Q N 3.577 123.431 119.800 0.090 0.000 2.293 426 Q HA 0.436 4.788 4.340 0.021 0.000 0.261 426 Q C -0.596 175.456 176.000 0.087 0.000 0.960 426 Q CA -0.521 55.319 55.803 0.062 0.000 0.882 426 Q CB 1.882 30.633 28.738 0.021 0.000 1.275 426 Q HN 0.514 nan 8.270 nan 0.000 0.445 427 I N 2.475 123.105 120.570 0.100 0.000 2.339 427 I HA 0.262 4.445 4.170 0.021 0.000 0.290 427 I C -0.624 175.506 176.117 0.022 0.000 0.994 427 I CA -0.911 60.438 61.300 0.083 0.000 1.191 427 I CB 1.561 39.649 38.000 0.147 0.000 1.343 427 I HN 0.273 nan 8.210 nan 0.000 0.458 428 V N 7.451 127.373 119.914 0.013 0.000 2.364 428 V HA 0.328 4.461 4.120 0.021 0.000 0.272 428 V C 0.540 176.612 176.094 -0.037 0.000 1.036 428 V CA -0.472 61.824 62.300 -0.007 0.000 0.880 428 V CB 1.080 32.913 31.823 0.016 0.000 0.991 428 V HN 0.538 nan 8.190 nan 0.000 0.460 429 L N 0.000 121.146 121.223 -0.129 0.000 2.949 429 L HA 0.000 4.352 4.340 0.021 0.000 0.249 429 L CA 0.000 54.684 54.840 -0.259 0.000 0.813 429 L CB 0.000 41.606 42.059 -0.756 0.000 0.961 429 L HN 0.000 nan 8.230 nan 0.000 0.502