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 2fyf_1_B DATA FIRST_RESID 8 DATA SEQUENCE HLEIPTAIKP RDGRFGSGPS KVRLEQLQTL TTTAAALFGT SHRQAPVKNL DATA SEQUENCE VGRVRSGLAE LFSLPDGYEV ILGNGGATAF WDAAAFGLID KRSLHLTYGE DATA SEQUENCE FSAKFASAVS KNPFVGEPII ITSDPGSAPE PQTDPSVDVI AWAHNETSTG DATA SEQUENCE VAVAVRRPEG SDXALVVIDA TSGAGGLPVD IAETDAYYFA PQKNFASDGG DATA SEQUENCE LWLAIMSPAA LSRIEAIAAT GRWVPDFLSL PIAVENSLKN QTYNTPAIAT DATA SEQUENCE LALLAEQIDW LVGNGGLDWA VKRTADSSQR LYSWAQERPY TTPFVTDPGL DATA SEQUENCE RSQVVGTIDF VDDVDAGTVA KILRANGIVD TEPYRKLGRN QLRVAMFPAV DATA SEQUENCE EPDDVSALTE CVDWVVERL 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 8 H HA 0.000 nan 4.556 nan 0.000 0.296 8 H C 0.000 175.375 175.328 0.078 0.000 0.993 8 H CA 0.000 56.077 56.048 0.049 0.000 1.023 8 H CB 0.000 29.787 29.762 0.041 0.000 1.292 9 L N 4.065 125.084 121.223 -0.340 0.000 2.282 9 L HA 0.363 4.703 4.340 0.001 0.000 0.288 9 L C 0.175 176.839 176.870 -0.343 0.000 1.033 9 L CA -0.437 54.319 54.840 -0.140 0.000 0.807 9 L CB 1.477 43.580 42.059 0.073 0.000 1.209 9 L HN 0.635 nan 8.230 nan 0.000 0.423 10 E N 4.672 124.837 120.200 -0.058 0.000 2.055 10 E HA 0.333 4.684 4.350 0.001 0.000 0.274 10 E C -0.604 175.866 176.600 -0.217 0.000 0.949 10 E CA -0.643 55.714 56.400 -0.072 0.000 0.775 10 E CB 0.875 30.616 29.700 0.069 0.000 1.097 10 E HN 0.468 nan 8.360 nan 0.000 0.404 11 I N 6.543 126.876 120.570 -0.396 0.000 2.556 11 I HA 0.112 4.282 4.170 0.001 0.000 0.284 11 I C -1.910 173.833 176.117 -0.623 0.000 1.114 11 I CA -1.945 58.832 61.300 -0.871 0.000 1.418 11 I CB 0.459 38.137 38.000 -0.537 0.000 1.394 11 I HN 0.406 nan 8.210 nan 0.000 0.552 12 P HA 0.026 nan 4.420 nan 0.000 0.264 12 P C 0.665 177.801 177.300 -0.272 0.000 1.193 12 P CA 0.066 62.935 63.100 -0.384 0.000 0.763 12 P CB 0.500 31.993 31.700 -0.345 0.000 0.810 13 T N 2.258 116.715 114.554 -0.161 0.000 2.737 13 T HA -0.224 4.126 4.350 0.001 0.000 0.269 13 T C 1.770 176.411 174.700 -0.099 0.000 1.040 13 T CA 1.956 63.989 62.100 -0.111 0.000 1.142 13 T CB -0.512 68.315 68.868 -0.068 0.000 0.861 13 T HN 0.482 nan 8.240 nan 0.000 0.456 14 A N 1.499 124.263 122.820 -0.095 0.000 2.019 14 A HA -0.013 4.308 4.320 0.001 0.000 0.219 14 A C 2.171 179.710 177.584 -0.074 0.000 1.164 14 A CA 1.368 53.364 52.037 -0.068 0.000 0.644 14 A CB -0.764 18.205 19.000 -0.052 0.000 0.805 14 A HN 0.782 nan 8.150 nan 0.000 0.449 15 I N -4.178 116.321 120.570 -0.118 0.000 3.956 15 I HA 0.245 4.415 4.170 0.001 0.000 0.333 15 I C 0.136 176.192 176.117 -0.101 0.000 1.302 15 I CA -0.341 60.895 61.300 -0.106 0.000 1.122 15 I CB 0.114 38.037 38.000 -0.129 0.000 1.013 15 I HN -0.092 nan 8.210 nan 0.000 0.405 16 K N 3.478 123.817 120.400 -0.101 0.000 2.237 16 K HA 0.339 4.659 4.320 0.001 0.000 0.270 16 K C -2.160 174.427 176.600 -0.022 0.000 1.015 16 K CA -1.676 54.570 56.287 -0.069 0.000 0.949 16 K CB 0.171 32.629 32.500 -0.072 0.000 0.976 16 K HN 0.050 nan 8.250 nan 0.000 0.472 17 P HA 0.049 nan 4.420 nan 0.000 0.272 17 P C -0.206 177.108 177.300 0.023 0.000 1.230 17 P CA -0.083 63.053 63.100 0.060 0.000 0.788 17 P CB 0.716 32.533 31.700 0.195 0.000 0.949 18 R N 0.164 120.670 120.500 0.010 0.000 2.092 18 R HA -0.016 4.324 4.340 0.001 0.000 0.231 18 R C 0.722 177.002 176.300 -0.032 0.000 1.119 18 R CA 1.103 57.196 56.100 -0.012 0.000 0.970 18 R CB -0.017 30.277 30.300 -0.010 0.000 0.864 18 R HN 0.583 nan 8.270 nan 0.000 0.440 19 D N -1.233 119.132 120.400 -0.059 0.000 2.629 19 D HA 0.131 4.771 4.640 0.001 0.000 0.250 19 D C 0.101 176.290 176.300 -0.186 0.000 1.126 19 D CA -0.252 53.677 54.000 -0.119 0.000 0.852 19 D CB 1.932 42.638 40.800 -0.156 0.000 1.335 19 D HN 0.131 nan 8.370 nan 0.000 0.518 20 G N 3.000 111.726 108.800 -0.123 0.000 2.985 20 G HA2 -0.019 3.942 3.960 0.001 0.000 0.209 20 G HA3 -0.019 3.942 3.960 0.001 0.000 0.209 20 G C 0.652 175.443 174.900 -0.182 0.000 1.165 20 G CA -0.187 44.887 45.100 -0.043 0.000 0.776 20 G HN 0.324 nan 8.290 nan 0.000 0.541 21 R N 0.304 120.577 120.500 -0.378 0.000 2.220 21 R HA 0.301 4.641 4.340 0.001 0.000 0.340 21 R C -0.573 175.389 176.300 -0.562 0.000 1.076 21 R CA -0.320 55.601 56.100 -0.299 0.000 0.920 21 R CB 0.265 30.459 30.300 -0.177 0.000 1.062 21 R HN 0.171 nan 8.270 nan 0.000 0.469 22 F N 0.490 120.442 119.950 0.003 0.000 2.668 22 F HA 0.247 4.774 4.527 0.001 0.000 0.301 22 F C 1.547 177.347 175.800 -0.001 0.000 1.106 22 F CA -0.573 57.415 58.000 -0.020 0.000 1.289 22 F CB 0.699 39.676 39.000 -0.038 0.000 1.006 22 F HN 0.548 nan 8.300 nan 0.000 0.535 23 G N 0.258 109.136 108.800 0.130 0.000 2.544 23 G HA2 0.259 4.220 3.960 0.001 0.000 0.242 23 G HA3 0.259 4.220 3.960 0.001 0.000 0.242 23 G C 0.711 175.730 174.900 0.198 0.000 1.247 23 G CA -0.058 45.132 45.100 0.150 0.000 0.840 23 G HN 0.283 nan 8.290 nan 0.000 0.578 24 S N -0.203 115.633 115.700 0.228 0.000 2.573 24 S HA 0.535 5.006 4.470 0.001 0.000 0.244 24 S C 0.708 175.548 174.600 0.401 0.000 0.984 24 S CA 0.162 58.569 58.200 0.345 0.000 1.001 24 S CB -0.028 63.315 63.200 0.237 0.000 0.788 24 S HN 2.136 nan 8.310 nan 0.000 0.456 25 G N 1.844 110.817 108.800 0.289 0.000 3.160 25 G HA2 0.200 4.161 3.960 0.001 0.000 0.573 25 G HA3 0.200 4.161 3.960 0.001 0.000 0.573 25 G C -3.040 171.935 174.900 0.125 0.000 1.286 25 G CA -1.167 44.025 45.100 0.154 0.000 1.151 25 G HN 0.264 nan 8.290 nan 0.000 0.555 26 P HA 0.438 nan 4.420 nan 0.000 0.269 26 P C 0.384 177.751 177.300 0.112 0.000 1.211 26 P CA 0.402 63.548 63.100 0.076 0.000 0.781 26 P CB 0.802 32.537 31.700 0.058 0.000 0.877 27 S N -0.699 115.059 115.700 0.097 0.000 2.651 27 S HA 0.412 4.883 4.470 0.001 0.000 0.279 27 S C -0.702 173.936 174.600 0.064 0.000 1.148 27 S CA -1.213 57.072 58.200 0.142 0.000 0.837 27 S CB 1.090 64.490 63.200 0.333 0.000 1.138 27 S HN 0.425 nan 8.310 nan 0.000 0.478 28 K N 1.025 121.448 120.400 0.038 0.000 2.477 28 K HA 0.134 4.455 4.320 0.001 0.000 0.275 28 K C -1.082 175.498 176.600 -0.034 0.000 1.054 28 K CA 0.118 56.386 56.287 -0.032 0.000 1.135 28 K CB -0.203 32.249 32.500 -0.079 0.000 0.854 28 K HN 0.478 nan 8.250 nan 0.000 0.484 29 V N 6.589 126.472 119.914 -0.052 0.000 2.370 29 V HA 0.250 4.371 4.120 0.001 0.000 0.283 29 V C 0.196 176.229 176.094 -0.103 0.000 1.023 29 V CA -0.774 61.486 62.300 -0.067 0.000 0.857 29 V CB 1.221 33.020 31.823 -0.040 0.000 0.985 29 V HN 0.801 nan 8.190 nan 0.000 0.443 30 R N 3.647 124.050 120.500 -0.162 0.000 2.623 30 R HA 0.221 4.561 4.340 0.001 0.000 0.271 30 R C 1.136 177.353 176.300 -0.139 0.000 1.043 30 R CA -0.293 55.692 56.100 -0.191 0.000 1.083 30 R CB 0.549 30.647 30.300 -0.337 0.000 0.974 30 R HN 0.631 nan 8.270 nan 0.000 0.436 31 L N 2.428 123.585 121.223 -0.110 0.000 2.042 31 L HA -0.237 4.104 4.340 0.001 0.000 0.210 31 L C 2.537 179.360 176.870 -0.078 0.000 1.076 31 L CA 1.372 56.164 54.840 -0.079 0.000 0.749 31 L CB -0.504 41.517 42.059 -0.063 0.000 0.893 31 L HN 0.752 nan 8.230 nan 0.000 0.432 32 E N 0.437 120.581 120.200 -0.094 0.000 2.268 32 E HA -0.298 4.053 4.350 0.001 0.000 0.195 32 E C 1.888 178.437 176.600 -0.085 0.000 0.995 32 E CA 1.216 57.568 56.400 -0.080 0.000 0.836 32 E CB -0.346 29.307 29.700 -0.078 0.000 0.763 32 E HN 0.631 nan 8.360 nan 0.000 0.491 33 Q N 0.274 120.001 119.800 -0.121 0.000 2.049 33 Q HA -0.082 4.259 4.340 0.001 0.000 0.198 33 Q C 2.350 178.321 176.000 -0.048 0.000 0.971 33 Q CA 0.803 56.544 55.803 -0.103 0.000 0.833 33 Q CB -0.024 28.614 28.738 -0.166 0.000 0.896 33 Q HN 0.300 nan 8.270 nan 0.000 0.434 34 L N 1.305 122.499 121.223 -0.049 0.000 2.127 34 L HA -0.195 4.145 4.340 0.001 0.000 0.211 34 L C 1.993 178.856 176.870 -0.011 0.000 1.089 34 L CA 1.801 56.628 54.840 -0.022 0.000 0.757 34 L CB -0.291 41.748 42.059 -0.033 0.000 0.899 34 L HN 0.259 nan 8.230 nan 0.000 0.434 35 Q N -1.435 118.352 119.800 -0.023 0.000 2.437 35 Q HA -0.139 4.201 4.340 0.001 0.000 0.210 35 Q C 1.910 177.910 176.000 0.001 0.000 0.972 35 Q CA 1.507 57.301 55.803 -0.016 0.000 0.903 35 Q CB -0.235 28.489 28.738 -0.024 0.000 0.967 35 Q HN 0.735 nan 8.270 nan 0.000 0.486 36 T N -1.765 112.795 114.554 0.010 0.000 2.995 36 T HA -0.039 4.311 4.350 0.001 0.000 0.269 36 T C 1.709 176.451 174.700 0.070 0.000 1.091 36 T CA 0.479 62.596 62.100 0.030 0.000 1.128 36 T CB -0.171 68.713 68.868 0.025 0.000 0.891 36 T HN 0.198 nan 8.240 nan 0.000 0.492 37 L N 1.778 123.055 121.223 0.091 0.000 2.131 37 L HA -0.024 4.317 4.340 0.001 0.000 0.210 37 L C 2.918 179.848 176.870 0.101 0.000 1.092 37 L CA 1.691 56.645 54.840 0.191 0.000 0.759 37 L CB -1.041 41.115 42.059 0.161 0.000 0.903 37 L HN 0.530 nan 8.230 nan 0.000 0.435 38 T N -5.663 108.902 114.554 0.018 0.000 3.086 38 T HA 0.065 4.416 4.350 0.001 0.000 0.250 38 T C 1.229 175.933 174.700 0.007 0.000 1.074 38 T CA 0.514 62.602 62.100 -0.019 0.000 0.988 38 T CB -0.002 68.840 68.868 -0.044 0.000 0.988 38 T HN 0.441 nan 8.240 nan 0.000 0.530 39 T N 0.038 114.608 114.554 0.028 0.000 3.257 39 T HA 0.093 4.444 4.350 0.001 0.000 0.176 39 T C 2.083 176.806 174.700 0.038 0.000 0.892 39 T CA 0.814 62.929 62.100 0.024 0.000 1.147 39 T CB -0.379 68.498 68.868 0.013 0.000 1.840 39 T HN 0.223 nan 8.240 nan 0.000 0.375 40 T N 0.384 114.959 114.554 0.035 0.000 2.995 40 T HA 0.355 4.705 4.350 0.001 0.000 0.269 40 T C 1.978 176.704 174.700 0.042 0.000 1.091 40 T CA 0.810 62.929 62.100 0.031 0.000 1.128 40 T CB -0.555 68.326 68.868 0.021 0.000 0.891 40 T HN 0.616 nan 8.240 nan 0.000 0.492 41 A N 0.510 123.372 122.820 0.070 0.000 2.267 41 A HA 0.799 5.120 4.320 0.001 0.000 0.213 41 A C 2.492 180.188 177.584 0.188 0.000 1.192 41 A CA 0.631 52.720 52.037 0.088 0.000 0.851 41 A CB -0.660 18.390 19.000 0.083 0.000 0.881 41 A HN 0.581 nan 8.150 nan 0.000 0.494 42 A N 0.419 123.354 122.820 0.192 0.000 1.940 42 A HA 0.076 4.396 4.320 0.001 0.000 0.219 42 A C 2.330 180.050 177.584 0.227 0.000 1.176 42 A CA 1.942 54.121 52.037 0.236 0.000 0.631 42 A CB -0.774 18.280 19.000 0.090 0.000 0.814 42 A HN 1.072 nan 8.150 nan 0.000 0.446 43 A N -0.717 122.177 122.820 0.124 0.000 2.119 43 A HA 0.166 4.486 4.320 0.001 0.000 0.217 43 A C 2.007 179.634 177.584 0.072 0.000 1.153 43 A CA 1.040 53.128 52.037 0.085 0.000 0.692 43 A CB -0.470 18.557 19.000 0.045 0.000 0.799 43 A HN 0.487 nan 8.150 nan 0.000 0.458 44 L N -1.790 119.464 121.223 0.052 0.000 2.156 44 L HA 0.023 4.363 4.340 0.001 0.000 0.208 44 L C 0.429 177.263 176.870 -0.060 0.000 1.095 44 L CA -0.046 54.767 54.840 -0.045 0.000 0.770 44 L CB -0.467 41.505 42.059 -0.145 0.000 0.914 44 L HN 0.278 nan 8.230 nan 0.000 0.439 45 F N 0.657 120.602 119.950 -0.008 0.000 2.602 45 F HA 0.205 4.733 4.527 0.001 0.000 0.367 45 F C 1.569 177.365 175.800 -0.007 0.000 1.126 45 F CA 1.146 59.140 58.000 -0.010 0.000 1.321 45 F CB 0.270 39.263 39.000 -0.013 0.000 1.094 45 F HN 0.158 nan 8.300 nan 0.000 0.594 46 G N 1.525 110.425 108.800 0.167 0.000 2.153 46 G HA2 -0.237 3.724 3.960 0.001 0.000 0.252 46 G HA3 -0.237 3.724 3.960 0.001 0.000 0.252 46 G C 0.056 174.992 174.900 0.061 0.000 0.994 46 G CA 0.325 45.488 45.100 0.104 0.000 0.698 46 G HN 1.040 nan 8.290 nan 0.000 0.521 47 T N -2.813 111.765 114.554 0.039 0.000 2.930 47 T HA 0.735 5.086 4.350 0.001 0.000 0.290 47 T C 0.260 174.983 174.700 0.038 0.000 1.052 47 T CA 0.332 62.448 62.100 0.027 0.000 1.017 47 T CB 2.006 70.881 68.868 0.012 0.000 1.137 47 T HN 1.013 nan 8.240 nan 0.000 0.511 48 S N 0.777 116.496 115.700 0.031 0.000 2.531 48 S HA 0.092 4.562 4.470 0.001 0.000 0.279 48 S C 1.455 176.079 174.600 0.039 0.000 1.305 48 S CA -0.566 57.662 58.200 0.047 0.000 1.058 48 S CB -0.119 63.058 63.200 -0.039 0.000 0.899 48 S HN 0.921 nan 8.310 nan 0.000 0.493 49 H N 5.034 124.068 119.070 -0.059 0.000 2.563 49 H HA 0.178 4.735 4.556 0.001 0.000 0.272 49 H C 0.711 176.004 175.328 -0.058 0.000 1.005 49 H CA 0.237 56.244 56.048 -0.068 0.000 1.171 49 H CB -0.070 29.645 29.762 -0.078 0.000 1.351 49 H HN 0.480 nan 8.280 nan 0.000 0.602 50 R N 0.715 120.974 120.500 -0.402 0.000 2.393 50 R HA 0.242 4.583 4.340 0.001 0.000 0.244 50 R C 0.077 176.289 176.300 -0.147 0.000 0.920 50 R CA -0.051 55.877 56.100 -0.286 0.000 1.076 50 R CB 0.665 30.762 30.300 -0.338 0.000 1.119 50 R HN 0.396 nan 8.270 nan 0.000 0.524 51 Q N -1.067 118.671 119.800 -0.105 0.000 2.378 51 Q HA 0.504 4.844 4.340 0.001 0.000 0.276 51 Q C 0.703 176.674 176.000 -0.048 0.000 1.083 51 Q CA -0.412 55.352 55.803 -0.065 0.000 0.856 51 Q CB 1.649 30.356 28.738 -0.050 0.000 1.383 51 Q HN -0.051 nan 8.270 nan 0.000 0.458 52 A N 1.547 124.345 122.820 -0.038 0.000 1.908 52 A HA -0.116 4.204 4.320 0.001 0.000 0.218 52 A C -0.765 176.801 177.584 -0.030 0.000 1.181 52 A CA 1.767 53.785 52.037 -0.032 0.000 0.627 52 A CB -1.470 17.515 19.000 -0.025 0.000 0.818 52 A HN 0.513 nan 8.150 nan 0.000 0.445 53 P HA -0.103 nan 4.420 nan 0.000 0.215 53 P C 1.604 178.880 177.300 -0.040 0.000 1.157 53 P CA 1.347 64.429 63.100 -0.029 0.000 0.868 53 P CB -0.098 31.587 31.700 -0.024 0.000 0.788 54 V N -0.190 119.699 119.914 -0.041 0.000 2.488 54 V HA -0.171 3.949 4.120 0.001 0.000 0.246 54 V C 2.189 178.257 176.094 -0.044 0.000 1.046 54 V CA 1.629 63.899 62.300 -0.050 0.000 1.053 54 V CB -1.018 30.785 31.823 -0.033 0.000 0.679 54 V HN 0.108 nan 8.190 nan 0.000 0.458 55 K N 0.588 120.966 120.400 -0.037 0.000 2.103 55 K HA -0.248 4.072 4.320 0.001 0.000 0.207 55 K C 2.024 178.602 176.600 -0.037 0.000 1.048 55 K CA 1.963 58.227 56.287 -0.038 0.000 0.930 55 K CB -0.331 32.146 32.500 -0.039 0.000 0.716 55 K HN 0.480 nan 8.250 nan 0.000 0.444 56 N N 0.921 119.601 118.700 -0.035 0.000 2.166 56 N HA -0.170 4.570 4.740 0.001 0.000 0.186 56 N C 1.671 177.160 175.510 -0.034 0.000 1.019 56 N CA 0.628 53.660 53.050 -0.030 0.000 0.856 56 N CB -0.043 38.428 38.487 -0.026 0.000 0.993 56 N HN 0.051 nan 8.380 nan 0.000 0.426 57 L N 0.045 121.241 121.223 -0.045 0.000 2.046 57 L HA -0.045 4.295 4.340 0.001 0.000 0.208 57 L C 1.948 178.784 176.870 -0.056 0.000 1.077 57 L CA 1.385 56.192 54.840 -0.054 0.000 0.747 57 L CB -0.714 41.299 42.059 -0.077 0.000 0.896 57 L HN 0.067 nan 8.230 nan 0.000 0.432 58 V N 0.298 120.175 119.914 -0.060 0.000 2.332 58 V HA -0.232 3.888 4.120 0.001 0.000 0.248 58 V C 2.654 178.719 176.094 -0.050 0.000 1.055 58 V CA 1.794 64.055 62.300 -0.066 0.000 1.038 58 V CB -1.730 30.052 31.823 -0.070 0.000 0.651 58 V HN 0.648 nan 8.190 nan 0.000 0.450 59 G N -0.329 108.449 108.800 -0.037 0.000 2.440 59 G HA2 -0.265 3.695 3.960 0.001 0.000 0.218 59 G HA3 -0.265 3.695 3.960 0.001 0.000 0.218 59 G C 1.763 176.653 174.900 -0.017 0.000 1.154 59 G CA 0.809 45.894 45.100 -0.024 0.000 0.767 59 G HN 0.438 nan 8.290 nan 0.000 0.552 60 R N -0.410 120.078 120.500 -0.020 0.000 2.092 60 R HA 0.008 4.349 4.340 0.001 0.000 0.231 60 R C 2.689 178.985 176.300 -0.007 0.000 1.119 60 R CA 1.006 57.099 56.100 -0.010 0.000 0.970 60 R CB -0.428 29.865 30.300 -0.012 0.000 0.864 60 R HN 0.305 nan 8.270 nan 0.000 0.440 61 V N 0.971 120.871 119.914 -0.023 0.000 2.295 61 V HA -0.261 3.860 4.120 0.001 0.000 0.246 61 V C 2.285 178.372 176.094 -0.011 0.000 1.049 61 V CA 1.784 64.067 62.300 -0.029 0.000 1.024 61 V CB -0.441 31.343 31.823 -0.065 0.000 0.648 61 V HN 0.309 nan 8.190 nan 0.000 0.447 62 R N -0.085 120.407 120.500 -0.013 0.000 2.073 62 R HA -0.141 4.199 4.340 0.001 0.000 0.234 62 R C 2.666 178.989 176.300 0.038 0.000 1.134 62 R CA 1.660 57.766 56.100 0.009 0.000 0.952 62 R CB -0.626 29.671 30.300 -0.005 0.000 0.850 62 R HN 0.503 nan 8.270 nan 0.000 0.433 63 S N -0.024 115.692 115.700 0.026 0.000 2.383 63 S HA -0.081 4.390 4.470 0.001 0.000 0.227 63 S C 2.059 176.685 174.600 0.043 0.000 1.026 63 S CA 1.355 59.574 58.200 0.033 0.000 0.981 63 S CB -0.324 62.887 63.200 0.019 0.000 0.818 63 S HN 0.499 nan 8.310 nan 0.000 0.472 64 G N 1.545 110.369 108.800 0.039 0.000 2.402 64 G HA2 -0.064 3.896 3.960 0.001 0.000 0.216 64 G HA3 -0.064 3.896 3.960 0.001 0.000 0.216 64 G C 1.434 176.381 174.900 0.078 0.000 1.162 64 G CA 0.832 45.960 45.100 0.046 0.000 0.777 64 G HN 0.519 nan 8.290 nan 0.000 0.539 65 L N 0.704 121.996 121.223 0.115 0.000 2.083 65 L HA -0.030 4.310 4.340 0.001 0.000 0.209 65 L C 3.388 180.424 176.870 0.278 0.000 1.083 65 L CA 0.887 55.875 54.840 0.246 0.000 0.752 65 L CB -0.367 41.863 42.059 0.285 0.000 0.899 65 L HN 0.303 nan 8.230 nan 0.000 0.433 66 A N -0.152 122.771 122.820 0.171 0.000 1.933 66 A HA -0.261 4.060 4.320 0.001 0.000 0.218 66 A C 2.283 179.930 177.584 0.106 0.000 1.175 66 A CA 1.938 54.062 52.037 0.144 0.000 0.628 66 A CB -0.442 18.616 19.000 0.098 0.000 0.814 66 A HN 0.488 nan 8.150 nan 0.000 0.444 67 E N -0.671 119.569 120.200 0.067 0.000 2.046 67 E HA -0.165 4.186 4.350 0.001 0.000 0.190 67 E C 1.925 178.520 176.600 -0.008 0.000 0.982 67 E CA 1.149 57.564 56.400 0.025 0.000 0.800 67 E CB -0.217 29.488 29.700 0.008 0.000 0.756 67 E HN 0.396 nan 8.360 nan 0.000 0.449 68 L N 0.085 121.285 121.223 -0.038 0.000 2.042 68 L HA -0.139 4.202 4.340 0.001 0.000 0.210 68 L C 1.498 178.170 176.870 -0.330 0.000 1.076 68 L CA 1.719 56.434 54.840 -0.208 0.000 0.749 68 L CB -0.319 41.563 42.059 -0.295 0.000 0.893 68 L HN 0.167 nan 8.230 nan 0.000 0.432 69 F N -0.424 119.548 119.950 0.037 0.000 2.693 69 F HA 0.250 4.777 4.527 0.000 0.000 0.303 69 F C 1.404 177.169 175.800 -0.058 0.000 1.097 69 F CA 0.082 58.076 58.000 -0.010 0.000 1.330 69 F CB -0.584 38.421 39.000 0.009 0.000 1.067 69 F HN -0.062 nan 8.300 nan 0.000 0.565 70 S N 1.167 116.909 115.700 0.071 0.000 3.628 70 S HA -0.202 4.269 4.470 0.001 0.000 0.373 70 S C 0.079 174.666 174.600 -0.022 0.000 0.968 70 S CA -0.296 57.912 58.200 0.013 0.000 1.215 70 S CB -1.761 61.432 63.200 -0.012 0.000 0.912 70 S HN 0.128 nan 8.310 nan 0.000 0.495 71 L N 1.924 123.149 121.223 0.002 0.000 2.513 71 L HA 0.251 4.592 4.340 0.001 0.000 0.272 71 L C -1.293 175.518 176.870 -0.098 0.000 1.187 71 L CA -0.731 54.064 54.840 -0.076 0.000 0.895 71 L CB -0.440 41.647 42.059 0.047 0.000 1.147 71 L HN 0.114 nan 8.230 nan 0.000 0.483 72 P HA 0.049 nan 4.420 nan 0.000 0.271 72 P C -0.922 176.442 177.300 0.107 0.000 1.233 72 P CA -0.527 62.522 63.100 -0.084 0.000 0.789 72 P CB 0.342 31.950 31.700 -0.152 0.000 0.951 73 D N 0.401 120.867 120.400 0.109 0.000 2.583 73 D HA 0.198 4.838 4.640 0.001 0.000 0.232 73 D C 1.629 178.042 176.300 0.189 0.000 1.128 73 D CA 2.060 56.134 54.000 0.122 0.000 0.859 73 D CB -0.223 40.626 40.800 0.082 0.000 1.169 73 D HN 0.688 nan 8.370 nan 0.000 0.481 74 G N 1.395 110.281 108.800 0.144 0.000 2.225 74 G HA2 -0.306 3.654 3.960 0.001 0.000 0.254 74 G HA3 -0.306 3.654 3.960 0.001 0.000 0.254 74 G C 0.133 175.092 174.900 0.098 0.000 0.988 74 G CA -0.042 45.116 45.100 0.098 0.000 0.625 74 G HN 0.454 nan 8.290 nan 0.000 0.527 75 Y N 1.703 122.020 120.300 0.029 0.000 2.397 75 Y HA 0.565 5.115 4.550 0.000 0.000 0.335 75 Y C 0.883 176.806 175.900 0.037 0.000 1.213 75 Y CA -0.078 58.043 58.100 0.035 0.000 1.391 75 Y CB 0.719 39.201 38.460 0.037 0.000 1.293 75 Y HN 0.115 nan 8.280 nan 0.000 0.557 76 E N 1.113 121.403 120.200 0.151 0.000 2.317 76 E HA 0.373 4.724 4.350 0.001 0.000 0.270 76 E C -1.412 175.252 176.600 0.106 0.000 0.885 76 E CA -0.896 55.566 56.400 0.102 0.000 0.760 76 E CB 2.681 32.411 29.700 0.051 0.000 1.227 76 E HN 0.252 nan 8.360 nan 0.000 0.434 77 V N 3.782 123.744 119.914 0.081 0.000 2.385 77 V HA 0.215 4.336 4.120 0.001 0.000 0.269 77 V C 0.128 176.231 176.094 0.014 0.000 1.043 77 V CA -0.414 61.919 62.300 0.055 0.000 0.906 77 V CB 0.312 32.163 31.823 0.047 0.000 0.995 77 V HN 0.430 nan 8.190 nan 0.000 0.467 78 I N 6.730 127.316 120.570 0.027 0.000 2.460 78 I HA 0.642 4.812 4.170 0.001 0.000 0.298 78 I C -0.114 175.951 176.117 -0.087 0.000 0.989 78 I CA -0.541 60.780 61.300 0.035 0.000 1.173 78 I CB 1.561 39.672 38.000 0.185 0.000 1.338 78 I HN 0.566 nan 8.210 nan 0.000 0.456 79 L N 2.214 123.227 121.223 -0.350 0.000 2.469 79 L HA 1.116 5.456 4.340 0.001 0.000 0.256 79 L C -0.480 175.647 176.870 -1.239 0.000 1.006 79 L CA -0.562 53.776 54.840 -0.836 0.000 0.832 79 L CB 2.457 44.204 42.059 -0.521 0.000 1.421 79 L HN 0.676 nan 8.230 nan 0.000 0.410 80 G N 0.088 107.792 108.800 -1.826 0.000 2.547 80 G HA2 0.293 4.254 3.960 0.001 0.000 0.291 80 G HA3 0.293 4.254 3.960 0.001 0.000 0.291 80 G C -1.991 172.270 174.900 -1.066 0.000 1.471 80 G CA -0.980 43.343 45.100 -1.294 0.000 0.798 80 G HN 0.805 nan 8.290 nan 0.000 0.504 81 N N -0.732 117.700 118.700 -0.446 0.000 2.453 81 N HA 0.419 5.160 4.740 0.001 0.000 0.253 81 N C 1.183 176.791 175.510 0.164 0.000 1.252 81 N CA 1.361 54.352 53.050 -0.098 0.000 0.917 81 N CB 0.847 39.441 38.487 0.178 0.000 1.117 81 N HN 1.321 nan 8.380 nan 0.000 0.442 82 G N -0.046 108.899 108.800 0.242 0.000 2.551 82 G HA2 0.105 4.066 3.960 0.001 0.000 0.186 82 G HA3 0.105 4.066 3.960 0.001 0.000 0.186 82 G C 0.347 175.389 174.900 0.238 0.000 1.002 82 G CA 0.005 45.319 45.100 0.356 0.000 0.723 82 G HN 1.149 nan 8.290 nan 0.000 0.481 83 G N -0.500 108.436 108.800 0.227 0.000 2.796 83 G HA2 0.329 4.289 3.960 0.001 0.000 0.571 83 G HA3 0.329 4.289 3.960 0.001 0.000 0.571 83 G C 1.100 176.041 174.900 0.068 0.000 1.370 83 G CA 0.982 46.152 45.100 0.116 0.000 0.856 83 G HN 1.813 nan 8.290 nan 0.000 0.538 84 A N -1.136 121.620 122.820 -0.108 0.000 1.933 84 A HA 0.103 4.423 4.320 0.001 0.000 0.218 84 A C 2.631 179.785 177.584 -0.716 0.000 1.175 84 A CA 3.054 54.902 52.037 -0.314 0.000 0.628 84 A CB -0.928 17.884 19.000 -0.313 0.000 0.814 84 A HN 1.609 nan 8.150 nan 0.000 0.444 85 T N 0.381 114.539 114.554 -0.660 0.000 2.759 85 T HA -0.068 4.282 4.350 0.001 0.000 0.269 85 T C 2.194 176.755 174.700 -0.231 0.000 1.042 85 T CA 1.581 63.282 62.100 -0.665 0.000 1.140 85 T CB -0.432 68.304 68.868 -0.219 0.000 0.864 85 T HN 0.617 nan 8.240 nan 0.000 0.455 86 A N 0.981 123.745 122.820 -0.094 0.000 1.902 86 A HA -0.039 4.282 4.320 0.001 0.000 0.217 86 A C 2.003 179.451 177.584 -0.228 0.000 1.181 86 A CA 1.324 53.370 52.037 0.014 0.000 0.623 86 A CB -1.032 18.116 19.000 0.247 0.000 0.818 86 A HN 0.478 nan 8.150 nan 0.000 0.443 87 F N -0.376 119.182 119.950 -0.653 0.000 2.126 87 F HA -0.225 4.302 4.527 0.001 0.000 0.299 87 F C 2.042 177.445 175.800 -0.662 0.000 1.096 87 F CA 1.630 59.017 58.000 -1.022 0.000 1.255 87 F CB -0.228 37.986 39.000 -1.310 0.000 0.997 87 F HN 0.395 nan 8.300 nan 0.000 0.479 88 W N 1.157 122.159 121.300 -0.498 0.000 2.317 88 W HA -0.244 4.416 4.660 0.001 0.000 0.318 88 W C 2.393 178.788 176.519 -0.206 0.000 1.227 88 W CA 1.492 58.548 57.345 -0.481 0.000 1.269 88 W CB -1.508 27.860 29.460 -0.152 0.000 1.155 88 W HN 0.105 nan 8.180 nan 0.000 0.484 89 D N -0.498 119.973 120.400 0.119 0.000 2.117 89 D HA -0.088 4.553 4.640 0.001 0.000 0.198 89 D C 2.248 178.572 176.300 0.039 0.000 0.982 89 D CA 1.849 55.928 54.000 0.132 0.000 0.828 89 D CB -0.760 40.156 40.800 0.194 0.000 0.967 89 D HN 0.045 nan 8.370 nan 0.000 0.464 90 A N 1.292 123.970 122.820 -0.237 0.000 1.908 90 A HA -0.100 4.220 4.320 0.001 0.000 0.218 90 A C 2.333 179.651 177.584 -0.444 0.000 1.181 90 A CA 2.277 54.080 52.037 -0.389 0.000 0.627 90 A CB -0.630 17.959 19.000 -0.685 0.000 0.818 90 A HN 0.247 nan 8.150 nan 0.000 0.445 91 A N -0.306 122.103 122.820 -0.684 0.000 1.930 91 A HA 0.223 4.544 4.320 0.001 0.000 0.217 91 A C 2.486 180.013 177.584 -0.095 0.000 1.175 91 A CA 1.868 53.609 52.037 -0.494 0.000 0.627 91 A CB -0.946 17.701 19.000 -0.588 0.000 0.815 91 A HN 1.045 nan 8.150 nan 0.000 0.443 92 A N -1.167 121.665 122.820 0.020 0.000 1.902 92 A HA -0.033 4.287 4.320 0.001 0.000 0.217 92 A C 1.944 179.484 177.584 -0.074 0.000 1.181 92 A CA 1.571 53.613 52.037 0.009 0.000 0.623 92 A CB -0.695 18.297 19.000 -0.012 0.000 0.818 92 A HN 0.467 nan 8.150 nan 0.000 0.443 93 F N -0.450 119.430 119.950 -0.118 0.000 2.234 93 F HA 0.113 4.641 4.527 0.001 0.000 0.296 93 F C 2.444 178.143 175.800 -0.169 0.000 1.089 93 F CA 1.389 59.285 58.000 -0.173 0.000 1.343 93 F CB -0.164 38.651 39.000 -0.310 0.000 1.040 93 F HN 0.306 nan 8.300 nan 0.000 0.498 94 G N -1.758 107.043 108.800 0.001 0.000 2.848 94 G HA2 0.152 4.112 3.960 0.001 0.000 0.213 94 G HA3 0.152 4.112 3.960 0.001 0.000 0.213 94 G C 1.298 176.157 174.900 -0.068 0.000 1.101 94 G CA 0.042 45.099 45.100 -0.072 0.000 0.778 94 G HN 0.272 nan 8.290 nan 0.000 0.536 95 L N 0.081 121.268 121.223 -0.061 0.000 2.609 95 L HA 0.476 4.817 4.340 0.001 0.000 0.230 95 L C 0.402 177.276 176.870 0.007 0.000 1.064 95 L CA 0.045 54.870 54.840 -0.025 0.000 0.873 95 L CB 0.497 42.545 42.059 -0.019 0.000 1.139 95 L HN -0.002 nan 8.230 nan 0.000 0.490 96 I N 0.673 121.250 120.570 0.012 0.000 2.352 96 I HA -0.008 4.163 4.170 0.001 0.000 0.290 96 I C 0.808 176.937 176.117 0.020 0.000 1.036 96 I CA -0.010 61.301 61.300 0.018 0.000 1.336 96 I CB 1.321 39.331 38.000 0.016 0.000 1.407 96 I HN 0.040 nan 8.210 nan 0.000 0.497 97 D N 5.076 125.489 120.400 0.021 0.000 2.165 97 D HA -0.051 4.589 4.640 0.001 0.000 0.213 97 D C 1.575 177.892 176.300 0.028 0.000 0.983 97 D CA 1.725 55.740 54.000 0.026 0.000 0.881 97 D CB 0.497 41.310 40.800 0.022 0.000 1.028 97 D HN 0.430 nan 8.370 nan 0.000 0.457 98 K N -1.478 118.934 120.400 0.021 0.000 2.380 98 K HA 0.282 4.603 4.320 0.001 0.000 0.200 98 K C 0.693 177.299 176.600 0.010 0.000 1.201 98 K CA -0.176 56.121 56.287 0.017 0.000 0.916 98 K CB 1.616 34.124 32.500 0.014 0.000 1.187 98 K HN -0.087 nan 8.250 nan 0.000 0.498 99 R N 0.998 121.504 120.500 0.011 0.000 2.629 99 R HA 0.175 4.516 4.340 0.001 0.000 0.266 99 R C -1.671 174.637 176.300 0.012 0.000 1.051 99 R CA -0.268 55.837 56.100 0.009 0.000 0.895 99 R CB 2.008 32.313 30.300 0.008 0.000 1.246 99 R HN 0.139 nan 8.270 nan 0.000 0.459 100 S N 2.921 118.633 115.700 0.020 0.000 2.600 100 S HA 0.630 5.100 4.470 0.001 0.000 0.300 100 S C -0.947 173.672 174.600 0.031 0.000 1.087 100 S CA -0.912 57.287 58.200 -0.001 0.000 0.965 100 S CB 1.895 65.077 63.200 -0.030 0.000 1.089 100 S HN 0.534 nan 8.310 nan 0.000 0.496 101 L N 2.138 123.342 121.223 -0.031 0.000 2.322 101 L HA 0.596 4.936 4.340 0.001 0.000 0.281 101 L C -1.043 175.773 176.870 -0.090 0.000 1.014 101 L CA -0.438 54.412 54.840 0.017 0.000 0.815 101 L CB 1.067 43.145 42.059 0.031 0.000 1.247 101 L HN 0.817 nan 8.230 nan 0.000 0.421 102 H N 5.869 124.947 119.070 0.014 0.000 2.495 102 H HA 0.407 4.963 4.556 0.001 0.000 0.348 102 H C -0.905 174.486 175.328 0.105 0.000 1.113 102 H CA -0.742 55.334 56.048 0.047 0.000 1.195 102 H CB 2.163 31.879 29.762 -0.077 0.000 1.521 102 H HN 0.494 nan 8.280 nan 0.000 0.509 103 L N 2.646 124.048 121.223 0.299 0.000 2.326 103 L HA 0.297 4.638 4.340 0.001 0.000 0.278 103 L C 0.622 177.702 176.870 0.351 0.000 1.092 103 L CA -0.453 54.580 54.840 0.321 0.000 0.810 103 L CB 1.206 43.486 42.059 0.368 0.000 1.153 103 L HN 0.636 nan 8.230 nan 0.000 0.439 104 T N -0.573 114.162 114.554 0.302 0.000 2.881 104 T HA 0.587 4.937 4.350 0.001 0.000 0.290 104 T C -0.480 174.371 174.700 0.251 0.000 1.000 104 T CA -0.484 61.692 62.100 0.125 0.000 0.978 104 T CB 1.414 70.303 68.868 0.035 0.000 0.997 104 T HN 0.592 nan 8.240 nan 0.000 0.443 105 Y N 0.083 120.435 120.300 0.087 0.000 2.998 105 Y HA 0.677 5.227 4.550 0.001 0.000 0.264 105 Y C 0.142 176.101 175.900 0.098 0.000 1.092 105 Y CA -0.700 57.449 58.100 0.081 0.000 1.247 105 Y CB 0.076 38.582 38.460 0.078 0.000 1.283 105 Y HN 1.205 nan 8.280 nan 0.000 0.605 106 G N 0.057 108.819 108.800 -0.064 0.000 2.315 106 G HA2 0.225 4.185 3.960 0.001 0.000 0.294 106 G HA3 0.225 4.185 3.960 0.001 0.000 0.294 106 G C -0.502 174.304 174.900 -0.156 0.000 1.300 106 G CA -0.159 44.914 45.100 -0.046 0.000 0.843 106 G HN -0.040 nan 8.290 nan 0.000 0.527 107 E N -0.540 119.494 120.200 -0.278 0.000 2.049 107 E HA -0.069 4.281 4.350 0.001 0.000 0.198 107 E C 1.933 178.240 176.600 -0.489 0.000 1.007 107 E CA 2.482 58.580 56.400 -0.503 0.000 0.809 107 E CB -0.275 28.783 29.700 -1.069 0.000 0.749 107 E HN 0.401 nan 8.360 nan 0.000 0.450 108 F N 0.280 120.208 119.950 -0.036 0.000 2.219 108 F HA 0.023 4.551 4.527 0.001 0.000 0.294 108 F C 2.702 178.492 175.800 -0.016 0.000 1.086 108 F CA 1.011 59.076 58.000 0.108 0.000 1.330 108 F CB -0.835 38.307 39.000 0.238 0.000 1.047 108 F HN 0.084 nan 8.300 nan 0.000 0.495 109 S N 0.542 116.267 115.700 0.042 0.000 2.368 109 S HA -0.193 4.278 4.470 0.001 0.000 0.225 109 S C 2.239 176.782 174.600 -0.095 0.000 1.030 109 S CA 0.945 59.115 58.200 -0.050 0.000 0.999 109 S CB -1.073 61.890 63.200 -0.394 0.000 0.844 109 S HN 0.254 nan 8.310 nan 0.000 0.459 110 A N 1.951 124.682 122.820 -0.150 0.000 1.930 110 A HA 0.043 4.363 4.320 0.001 0.000 0.217 110 A C 2.201 179.654 177.584 -0.217 0.000 1.175 110 A CA 1.758 53.705 52.037 -0.151 0.000 0.627 110 A CB -0.627 18.302 19.000 -0.119 0.000 0.815 110 A HN 0.450 nan 8.150 nan 0.000 0.443 111 K N -0.881 119.352 120.400 -0.277 0.000 2.097 111 K HA -0.060 4.260 4.320 0.001 0.000 0.205 111 K C 1.554 177.817 176.600 -0.562 0.000 1.050 111 K CA 1.147 57.224 56.287 -0.350 0.000 0.938 111 K CB -0.583 31.757 32.500 -0.267 0.000 0.718 111 K HN 0.361 nan 8.250 nan 0.000 0.442 112 F N 0.903 120.209 119.950 -1.073 0.000 2.102 112 F HA -0.028 4.499 4.527 0.001 0.000 0.298 112 F C 1.849 177.310 175.800 -0.565 0.000 1.105 112 F CA 1.231 58.606 58.000 -1.042 0.000 1.239 112 F CB -1.037 37.391 39.000 -0.955 0.000 0.991 112 F HN 0.060 nan 8.300 nan 0.000 0.474 113 A N -0.464 121.994 122.820 -0.603 0.000 1.908 113 A HA -0.188 4.132 4.320 0.001 0.000 0.218 113 A C 2.439 179.696 177.584 -0.544 0.000 1.181 113 A CA 2.157 53.639 52.037 -0.926 0.000 0.627 113 A CB -1.271 17.375 19.000 -0.590 0.000 0.818 113 A HN 0.436 nan 8.150 nan 0.000 0.445 114 S N -0.226 115.276 115.700 -0.330 0.000 2.368 114 S HA -0.020 4.450 4.470 0.001 0.000 0.225 114 S C 2.329 176.837 174.600 -0.154 0.000 1.030 114 S CA 1.130 59.210 58.200 -0.199 0.000 0.999 114 S CB -0.502 62.620 63.200 -0.130 0.000 0.844 114 S HN 0.817 nan 8.310 nan 0.000 0.459 115 A N 1.186 123.927 122.820 -0.132 0.000 1.908 115 A HA -0.087 4.234 4.320 0.001 0.000 0.218 115 A C 2.341 179.881 177.584 -0.073 0.000 1.181 115 A CA 1.720 53.744 52.037 -0.023 0.000 0.627 115 A CB -0.948 18.123 19.000 0.118 0.000 0.818 115 A HN 0.353 nan 8.150 nan 0.000 0.445 116 V N -0.180 119.618 119.914 -0.194 0.000 2.358 116 V HA -0.200 3.920 4.120 0.001 0.000 0.246 116 V C 2.766 178.755 176.094 -0.175 0.000 1.047 116 V CA 2.195 64.369 62.300 -0.209 0.000 1.035 116 V CB -0.803 30.800 31.823 -0.367 0.000 0.658 116 V HN 0.567 nan 8.190 nan 0.000 0.452 117 S N -0.180 115.398 115.700 -0.204 0.000 2.370 117 S HA -0.246 4.225 4.470 0.001 0.000 0.226 117 S C 1.906 176.450 174.600 -0.093 0.000 1.033 117 S CA 1.637 59.752 58.200 -0.142 0.000 1.011 117 S CB -0.279 62.837 63.200 -0.140 0.000 0.852 117 S HN 0.612 nan 8.310 nan 0.000 0.457 118 K N 1.018 121.371 120.400 -0.077 0.000 2.365 118 K HA 0.092 4.413 4.320 0.001 0.000 0.197 118 K C 0.595 177.173 176.600 -0.037 0.000 1.042 118 K CA -0.060 56.201 56.287 -0.043 0.000 0.987 118 K CB -0.060 32.431 32.500 -0.016 0.000 0.779 118 K HN 0.164 nan 8.250 nan 0.000 0.484 119 N N 2.572 121.238 118.700 -0.057 0.000 2.431 119 N HA 0.001 4.742 4.740 0.001 0.000 0.265 119 N C -2.000 173.471 175.510 -0.065 0.000 1.184 119 N CA -1.204 51.808 53.050 -0.062 0.000 0.943 119 N CB 1.128 39.528 38.487 -0.144 0.000 1.080 119 N HN -0.029 nan 8.380 nan 0.000 0.477 120 P HA 0.074 nan 4.420 nan 0.000 0.255 120 P C 0.160 177.208 177.300 -0.420 0.000 1.301 120 P CA 0.310 63.273 63.100 -0.227 0.000 0.817 120 P CB -0.204 31.336 31.700 -0.267 0.000 1.259 121 F N 0.035 119.923 119.950 -0.104 0.000 2.721 121 F HA 0.092 4.619 4.527 0.001 0.000 0.301 121 F C 1.418 177.178 175.800 -0.067 0.000 1.096 121 F CA -0.067 57.894 58.000 -0.064 0.000 1.308 121 F CB 0.415 39.361 39.000 -0.088 0.000 1.086 121 F HN -0.208 nan 8.300 nan 0.000 0.587 122 V N -3.189 116.737 119.914 0.021 0.000 3.160 122 V HA 0.934 5.054 4.120 0.001 0.000 0.310 122 V C 0.341 176.418 176.094 -0.028 0.000 1.181 122 V CA -1.051 61.250 62.300 0.002 0.000 1.047 122 V CB 0.789 32.607 31.823 -0.009 0.000 1.068 122 V HN -0.031 nan 8.190 nan 0.000 0.441 123 G N 0.038 108.826 108.800 -0.020 0.000 2.653 123 G HA2 0.448 4.409 3.960 0.001 0.000 0.265 123 G HA3 0.448 4.409 3.960 0.001 0.000 0.265 123 G C -0.454 174.424 174.900 -0.035 0.000 1.237 123 G CA -0.222 44.863 45.100 -0.026 0.000 0.946 123 G HN 1.043 nan 8.290 nan 0.000 0.522 124 E N 1.005 121.185 120.200 -0.034 0.000 2.257 124 E HA 0.285 4.635 4.350 0.001 0.000 0.278 124 E C -1.844 174.737 176.600 -0.031 0.000 1.049 124 E CA -1.838 54.537 56.400 -0.042 0.000 0.876 124 E CB 0.814 30.492 29.700 -0.037 0.000 1.035 124 E HN 0.158 nan 8.360 nan 0.000 0.419 125 P HA 0.089 nan 4.420 nan 0.000 0.272 125 P C -0.292 177.013 177.300 0.008 0.000 1.230 125 P CA -0.016 63.083 63.100 -0.002 0.000 0.788 125 P CB 0.700 32.377 31.700 -0.038 0.000 0.949 126 I N 2.319 122.915 120.570 0.043 0.000 2.371 126 I HA 0.256 4.427 4.170 0.001 0.000 0.290 126 I C 0.562 176.715 176.117 0.061 0.000 1.028 126 I CA -0.321 61.000 61.300 0.035 0.000 1.345 126 I CB 0.279 38.298 38.000 0.032 0.000 1.407 126 I HN 0.121 nan 8.210 nan 0.000 0.501 127 I N 7.206 127.797 120.570 0.035 0.000 2.418 127 I HA 0.354 4.524 4.170 0.001 0.000 0.287 127 I C -0.627 175.517 176.117 0.044 0.000 1.008 127 I CA -0.572 60.755 61.300 0.045 0.000 1.104 127 I CB 1.653 39.652 38.000 -0.001 0.000 1.264 127 I HN 0.298 nan 8.210 nan 0.000 0.438 128 I N 5.453 126.063 120.570 0.066 0.000 2.362 128 I HA 0.414 4.584 4.170 0.001 0.000 0.289 128 I C 0.148 176.313 176.117 0.079 0.000 0.994 128 I CA -0.232 61.099 61.300 0.052 0.000 1.158 128 I CB 1.335 39.356 38.000 0.035 0.000 1.315 128 I HN 0.481 nan 8.210 nan 0.000 0.451 129 T N 4.594 119.186 114.554 0.064 0.000 2.932 129 T HA 0.672 5.023 4.350 0.001 0.000 0.289 129 T C 0.073 174.818 174.700 0.075 0.000 1.039 129 T CA -0.622 61.532 62.100 0.090 0.000 1.024 129 T CB 2.230 71.137 68.868 0.065 0.000 1.090 129 T HN 0.720 nan 8.240 nan 0.000 0.496 130 S N 0.780 116.546 115.700 0.110 0.000 2.667 130 S HA 0.634 5.104 4.470 0.001 0.000 0.292 130 S C -1.241 173.416 174.600 0.095 0.000 1.126 130 S CA -1.015 57.227 58.200 0.070 0.000 0.881 130 S CB 1.284 64.498 63.200 0.025 0.000 1.132 130 S HN 0.486 nan 8.310 nan 0.000 0.492 131 D N 2.692 123.130 120.400 0.063 0.000 2.400 131 D HA 0.318 4.958 4.640 0.001 0.000 0.238 131 D C -2.223 174.145 176.300 0.113 0.000 1.157 131 D CA -0.718 53.330 54.000 0.080 0.000 0.889 131 D CB 0.253 41.083 40.800 0.051 0.000 1.199 131 D HN 0.386 nan 8.370 nan 0.000 0.436 132 P HA 0.097 nan 4.420 nan 0.000 0.265 132 P C 0.797 178.176 177.300 0.133 0.000 1.193 132 P CA 0.199 63.449 63.100 0.250 0.000 0.765 132 P CB 0.721 32.626 31.700 0.342 0.000 0.823 133 G N 0.645 109.448 108.800 0.006 0.000 2.194 133 G HA2 -0.197 3.764 3.960 0.001 0.000 0.236 133 G HA3 -0.197 3.764 3.960 0.001 0.000 0.236 133 G C 0.309 175.048 174.900 -0.268 0.000 0.987 133 G CA 0.330 45.117 45.100 -0.522 0.000 0.635 133 G HN 0.828 nan 8.290 nan 0.000 0.520 134 S N -0.897 114.742 115.700 -0.101 0.000 2.841 134 S HA 0.996 5.466 4.470 0.001 0.000 0.318 134 S C -0.423 174.105 174.600 -0.121 0.000 1.127 134 S CA 0.757 58.893 58.200 -0.107 0.000 0.883 134 S CB 1.727 64.870 63.200 -0.095 0.000 1.271 134 S HN 2.001 nan 8.310 nan 0.000 0.567 135 A N 1.483 124.163 122.820 -0.233 0.000 2.589 135 A HA 0.777 5.098 4.320 0.001 0.000 0.296 135 A C -3.134 174.254 177.584 -0.328 0.000 1.062 135 A CA -1.222 50.522 52.037 -0.489 0.000 0.686 135 A CB 0.835 19.337 19.000 -0.830 0.000 1.282 135 A HN 0.549 nan 8.150 nan 0.000 0.404 136 P HA 0.386 nan 4.420 nan 0.000 0.276 136 P C -0.645 176.488 177.300 -0.277 0.000 1.261 136 P CA -0.324 62.655 63.100 -0.202 0.000 0.800 136 P CB 0.474 32.106 31.700 -0.114 0.000 1.066 137 E N 0.921 120.984 120.200 -0.228 0.000 2.354 137 E HA 0.206 4.556 4.350 0.001 0.000 0.269 137 E C -2.075 174.301 176.600 -0.373 0.000 1.036 137 E CA -1.784 54.455 56.400 -0.269 0.000 0.876 137 E CB -0.481 29.109 29.700 -0.183 0.000 1.009 137 E HN 0.278 nan 8.360 nan 0.000 0.416 138 P HA -0.097 nan 4.420 nan 0.000 0.261 138 P C -0.487 176.579 177.300 -0.390 0.000 1.173 138 P CA 0.783 63.392 63.100 -0.817 0.000 0.760 138 P CB 0.314 31.445 31.700 -0.947 0.000 0.783 139 Q N 0.371 120.001 119.800 -0.283 0.000 2.738 139 Q HA 0.740 5.081 4.340 0.001 0.000 0.301 139 Q C -1.352 174.629 176.000 -0.031 0.000 0.901 139 Q CA -0.942 54.791 55.803 -0.116 0.000 0.756 139 Q CB 1.441 30.117 28.738 -0.103 0.000 1.463 139 Q HN 0.283 nan 8.270 nan 0.000 0.432 140 T N -0.859 113.693 114.554 -0.004 0.000 2.716 140 T HA 0.497 4.848 4.350 0.001 0.000 0.286 140 T C -2.024 172.685 174.700 0.015 0.000 1.052 140 T CA -0.289 61.826 62.100 0.025 0.000 1.024 140 T CB 1.916 70.809 68.868 0.041 0.000 1.349 140 T HN 0.668 nan 8.240 nan 0.000 0.525 141 D N -0.131 120.281 120.400 0.021 0.000 2.886 141 D HA 0.294 4.934 4.640 0.001 0.000 0.216 141 D C -1.950 174.360 176.300 0.017 0.000 1.256 141 D CA -1.431 52.579 54.000 0.015 0.000 0.844 141 D CB 2.382 43.191 40.800 0.015 0.000 1.669 141 D HN 0.243 nan 8.370 nan 0.000 0.513 142 P HA -0.106 nan 4.420 nan 0.000 0.221 142 P C 1.074 178.382 177.300 0.013 0.000 1.145 142 P CA 0.851 63.959 63.100 0.013 0.000 0.795 142 P CB 0.128 31.834 31.700 0.010 0.000 0.775 143 S N -1.288 114.420 115.700 0.012 0.000 2.575 143 S HA 0.155 4.626 4.470 0.001 0.000 0.215 143 S C 0.759 175.367 174.600 0.013 0.000 0.966 143 S CA -0.248 57.958 58.200 0.011 0.000 0.911 143 S CB -1.039 62.166 63.200 0.008 0.000 0.780 143 S HN 0.072 nan 8.310 nan 0.000 0.514 144 V N -0.220 119.704 119.914 0.017 0.000 2.769 144 V HA 0.746 4.866 4.120 0.001 0.000 0.312 144 V C -0.073 176.034 176.094 0.021 0.000 1.058 144 V CA -0.510 61.800 62.300 0.018 0.000 0.952 144 V CB 1.783 33.617 31.823 0.019 0.000 1.019 144 V HN 0.299 nan 8.190 nan 0.000 0.445 145 D N 0.837 121.248 120.400 0.020 0.000 2.469 145 D HA 0.359 4.999 4.640 0.001 0.000 0.213 145 D C -0.078 176.239 176.300 0.027 0.000 1.135 145 D CA -0.026 53.988 54.000 0.023 0.000 0.834 145 D CB 0.942 41.755 40.800 0.020 0.000 1.009 145 D HN 0.450 nan 8.370 nan 0.000 0.507 146 V N 0.901 120.827 119.914 0.021 0.000 2.808 146 V HA 0.419 4.539 4.120 0.001 0.000 0.308 146 V C -0.988 175.108 176.094 0.003 0.000 1.099 146 V CA -0.803 61.509 62.300 0.020 0.000 0.920 146 V CB 2.331 34.160 31.823 0.009 0.000 1.014 146 V HN 0.098 nan 8.190 nan 0.000 0.425 147 I N 3.544 124.145 120.570 0.052 0.000 2.436 147 I HA 0.836 5.007 4.170 0.001 0.000 0.289 147 I C -0.007 176.195 176.117 0.141 0.000 1.010 147 I CA -0.561 60.806 61.300 0.112 0.000 1.098 147 I CB 2.010 40.160 38.000 0.249 0.000 1.266 147 I HN 0.701 nan 8.210 nan 0.000 0.434 148 A N 6.444 129.324 122.820 0.100 0.000 2.374 148 A HA 0.878 5.198 4.320 0.001 0.000 0.305 148 A C -1.514 176.336 177.584 0.444 0.000 1.053 148 A CA -0.432 51.688 52.037 0.138 0.000 0.726 148 A CB 0.956 19.889 19.000 -0.112 0.000 1.229 148 A HN 0.865 nan 8.150 nan 0.000 0.431 149 W N 0.475 121.903 121.300 0.214 0.000 2.988 149 W HA 0.756 5.416 4.660 0.001 0.000 0.355 149 W C -0.550 176.129 176.519 0.267 0.000 1.233 149 W CA -0.552 56.959 57.345 0.276 0.000 1.176 149 W CB 1.102 30.742 29.460 0.300 0.000 1.477 149 W HN 1.000 nan 8.180 nan 0.000 0.582 150 A N 0.907 124.043 122.820 0.527 0.000 2.274 150 A HA 0.277 4.598 4.320 0.001 0.000 0.309 150 A C 0.568 178.432 177.584 0.466 0.000 1.226 150 A CA -0.225 52.010 52.037 0.331 0.000 0.853 150 A CB 0.213 19.370 19.000 0.261 0.000 1.146 150 A HN 1.064 nan 8.150 nan 0.000 0.518 151 H N 2.276 121.427 119.070 0.134 0.000 2.352 151 H HA -0.082 4.475 4.556 0.001 0.000 0.299 151 H C 0.516 175.992 175.328 0.247 0.000 1.097 151 H CA 1.622 57.791 56.048 0.202 0.000 1.311 151 H CB 0.200 30.023 29.762 0.102 0.000 1.377 151 H HN 0.690 nan 8.280 nan 0.000 0.504 152 N N 0.353 119.223 118.700 0.283 0.000 2.430 152 N HA -0.015 4.726 4.740 0.001 0.000 0.290 152 N C -1.763 173.888 175.510 0.235 0.000 1.063 152 N CA -0.313 52.865 53.050 0.213 0.000 0.883 152 N CB 1.987 40.526 38.487 0.087 0.000 1.465 152 N HN 0.167 nan 8.380 nan 0.000 0.493 153 E N 2.477 122.859 120.200 0.303 0.000 2.001 153 E HA 0.221 4.571 4.350 0.001 0.000 0.279 153 E C 0.397 177.156 176.600 0.265 0.000 1.045 153 E CA -0.125 56.441 56.400 0.277 0.000 0.833 153 E CB 0.522 30.393 29.700 0.284 0.000 1.077 153 E HN 0.509 nan 8.360 nan 0.000 0.397 154 T N 1.567 116.275 114.554 0.257 0.000 2.881 154 T HA -0.173 4.178 4.350 0.001 0.000 0.270 154 T C 1.620 176.468 174.700 0.248 0.000 1.068 154 T CA 1.412 63.644 62.100 0.220 0.000 1.131 154 T CB -0.141 68.774 68.868 0.078 0.000 0.871 154 T HN 0.518 nan 8.240 nan 0.000 0.479 155 S N 1.614 117.444 115.700 0.218 0.000 2.453 155 S HA -0.068 4.402 4.470 0.001 0.000 0.231 155 S C 2.011 176.728 174.600 0.194 0.000 1.005 155 S CA 1.161 59.388 58.200 0.044 0.000 0.949 155 S CB -0.586 62.406 63.200 -0.347 0.000 0.774 155 S HN 0.673 nan 8.310 nan 0.000 0.510 156 T N -4.065 110.646 114.554 0.263 0.000 2.975 156 T HA 0.523 4.874 4.350 0.001 0.000 0.261 156 T C 1.393 176.333 174.700 0.400 0.000 0.984 156 T CA 0.522 62.860 62.100 0.396 0.000 0.911 156 T CB 0.050 69.178 68.868 0.433 0.000 1.127 156 T HN 1.202 nan 8.240 nan 0.000 0.514 157 G N 1.151 110.133 108.800 0.303 0.000 2.198 157 G HA2 -0.174 3.787 3.960 0.001 0.000 0.257 157 G HA3 -0.174 3.787 3.960 0.001 0.000 0.257 157 G C -0.112 174.930 174.900 0.236 0.000 1.042 157 G CA 0.047 45.311 45.100 0.273 0.000 0.791 157 G HN 0.754 nan 8.290 nan 0.000 0.502 158 V N 0.312 120.371 119.914 0.241 0.000 2.398 158 V HA 0.806 4.927 4.120 0.001 0.000 0.286 158 V C 0.583 176.814 176.094 0.228 0.000 1.026 158 V CA -0.144 62.275 62.300 0.198 0.000 0.868 158 V CB 1.637 33.588 31.823 0.213 0.000 0.982 158 V HN 1.150 nan 8.190 nan 0.000 0.443 159 A N 5.073 127.995 122.820 0.170 0.000 2.330 159 A HA 0.875 5.195 4.320 0.001 0.000 0.327 159 A C -0.796 176.905 177.584 0.195 0.000 1.155 159 A CA -0.507 51.652 52.037 0.203 0.000 0.803 159 A CB 1.492 20.580 19.000 0.146 0.000 1.208 159 A HN 0.631 nan 8.150 nan 0.000 0.477 160 V N 1.637 121.733 119.914 0.304 0.000 2.628 160 V HA 0.652 4.772 4.120 0.001 0.000 0.306 160 V C 0.867 177.154 176.094 0.322 0.000 1.045 160 V CA -0.489 61.944 62.300 0.223 0.000 0.905 160 V CB 1.573 33.522 31.823 0.210 0.000 0.997 160 V HN 1.284 nan 8.190 nan 0.000 0.436 161 A N 3.411 126.345 122.820 0.190 0.000 2.555 161 A HA 0.401 4.722 4.320 0.001 0.000 0.233 161 A C -0.099 177.679 177.584 0.324 0.000 1.060 161 A CA 0.121 52.272 52.037 0.191 0.000 0.759 161 A CB 0.136 19.191 19.000 0.091 0.000 0.995 161 A HN 0.849 nan 8.150 nan 0.000 0.506 162 V N 5.156 125.191 119.914 0.200 0.000 2.266 162 V HA 0.419 4.540 4.120 0.001 0.000 0.271 162 V C -0.122 176.082 176.094 0.183 0.000 1.032 162 V CA -0.419 62.002 62.300 0.200 0.000 0.806 162 V CB -0.112 31.626 31.823 -0.141 0.000 1.052 162 V HN 0.851 nan 8.190 nan 0.000 0.449 163 R N 2.578 123.269 120.500 0.319 0.000 2.673 163 R HA 0.488 4.829 4.340 0.001 0.000 0.281 163 R C -0.412 176.055 176.300 0.279 0.000 0.991 163 R CA -0.942 55.281 56.100 0.205 0.000 0.896 163 R CB 2.490 32.865 30.300 0.125 0.000 1.201 163 R HN 0.562 nan 8.270 nan 0.000 0.457 164 R N 2.988 123.599 120.500 0.186 0.000 2.296 164 R HA 0.215 4.555 4.340 0.001 0.000 0.323 164 R C -1.988 174.399 176.300 0.145 0.000 1.067 164 R CA -1.215 54.997 56.100 0.186 0.000 0.946 164 R CB 0.313 30.687 30.300 0.123 0.000 0.991 164 R HN 0.231 nan 8.270 nan 0.000 0.448 165 P HA -0.022 nan 4.420 nan 0.000 0.269 165 P C -0.923 176.411 177.300 0.055 0.000 1.209 165 P CA -0.009 63.134 63.100 0.072 0.000 0.776 165 P CB 0.544 32.273 31.700 0.047 0.000 0.876 166 E N 1.017 121.235 120.200 0.031 0.000 2.452 166 E HA 0.212 4.562 4.350 0.001 0.000 0.261 166 E C 1.181 177.796 176.600 0.025 0.000 0.987 166 E CA 0.894 57.310 56.400 0.026 0.000 0.926 166 E CB -0.228 29.480 29.700 0.013 0.000 0.934 166 E HN 0.791 nan 8.360 nan 0.000 0.452 167 G N 2.363 111.179 108.800 0.027 0.000 2.162 167 G HA2 -0.361 3.600 3.960 0.001 0.000 0.260 167 G HA3 -0.361 3.600 3.960 0.001 0.000 0.260 167 G C 0.823 175.742 174.900 0.033 0.000 0.976 167 G CA 0.617 45.732 45.100 0.025 0.000 0.655 167 G HN 0.617 nan 8.290 nan 0.000 0.533 168 S N -0.068 115.659 115.700 0.045 0.000 2.631 168 S HA 0.276 4.746 4.470 0.001 0.000 0.217 168 S C 0.738 175.369 174.600 0.052 0.000 0.958 168 S CA 0.490 58.724 58.200 0.057 0.000 0.920 168 S CB 0.488 63.740 63.200 0.086 0.000 0.776 168 S HN 0.377 nan 8.310 nan 0.000 0.517 172 L N 1.719 122.973 121.223 0.051 0.000 2.349 172 L HA 0.468 4.808 4.340 0.001 0.000 0.275 172 L C -0.109 176.801 176.870 0.067 0.000 1.115 172 L CA -0.870 54.003 54.840 0.055 0.000 0.820 172 L CB 1.370 43.459 42.059 0.049 0.000 1.135 172 L HN 0.462 nan 8.230 nan 0.000 0.445 173 V N 4.547 124.497 119.914 0.060 0.000 2.368 173 V HA 0.202 4.323 4.120 0.001 0.000 0.266 173 V C 0.097 176.180 176.094 -0.019 0.000 1.045 173 V CA -0.356 61.951 62.300 0.011 0.000 0.899 173 V CB 1.491 33.322 31.823 0.012 0.000 1.006 173 V HN 0.425 nan 8.190 nan 0.000 0.470 174 V N 6.985 126.885 119.914 -0.023 0.000 2.326 174 V HA 0.477 4.598 4.120 0.001 0.000 0.281 174 V C -0.321 175.801 176.094 0.047 0.000 1.015 174 V CA -0.446 61.931 62.300 0.128 0.000 0.823 174 V CB 1.593 33.585 31.823 0.282 0.000 1.009 174 V HN 0.573 nan 8.190 nan 0.000 0.436 175 I N 3.555 124.090 120.570 -0.057 0.000 2.389 175 I HA 0.346 4.516 4.170 0.001 0.000 0.288 175 I C -0.029 175.676 176.117 -0.687 0.000 0.999 175 I CA -0.531 60.556 61.300 -0.355 0.000 1.129 175 I CB 1.733 39.523 38.000 -0.349 0.000 1.288 175 I HN 0.546 nan 8.210 nan 0.000 0.444 176 D N 6.213 126.236 120.400 -0.629 0.000 2.383 176 D HA 0.277 4.918 4.640 0.001 0.000 0.245 176 D C 0.576 176.552 176.300 -0.540 0.000 1.263 176 D CA 0.003 53.441 54.000 -0.937 0.000 0.936 176 D CB 0.965 41.684 40.800 -0.135 0.000 1.053 176 D HN 0.623 nan 8.370 nan 0.000 0.507 177 A N 3.222 125.599 122.820 -0.738 0.000 2.507 177 A HA 0.119 4.440 4.320 0.001 0.000 0.270 177 A C 1.841 179.272 177.584 -0.255 0.000 1.318 177 A CA -0.267 51.476 52.037 -0.491 0.000 0.924 177 A CB -0.088 18.230 19.000 -1.137 0.000 1.061 177 A HN 0.516 nan 8.150 nan 0.000 0.516 178 T N 0.838 115.269 114.554 -0.205 0.000 2.665 178 T HA -0.185 4.166 4.350 0.001 0.000 0.268 178 T C 2.047 176.695 174.700 -0.086 0.000 1.035 178 T CA 2.342 64.388 62.100 -0.090 0.000 1.151 178 T CB -0.168 68.613 68.868 -0.145 0.000 0.862 178 T HN 0.791 nan 8.240 nan 0.000 0.438 179 S N -0.126 115.522 115.700 -0.087 0.000 2.540 179 S HA 0.358 4.829 4.470 0.001 0.000 0.218 179 S C 1.919 176.524 174.600 0.009 0.000 0.977 179 S CA 0.229 58.412 58.200 -0.028 0.000 0.918 179 S CB 0.407 63.663 63.200 0.094 0.000 0.806 179 S HN 0.475 nan 8.310 nan 0.000 0.496 180 G N 1.252 110.009 108.800 -0.071 0.000 2.576 180 G HA2 0.479 4.439 3.960 0.001 0.000 0.210 180 G HA3 0.479 4.439 3.960 0.001 0.000 0.210 180 G C 0.583 175.436 174.900 -0.078 0.000 1.143 180 G CA 0.137 45.147 45.100 -0.150 0.000 0.819 180 G HN 0.722 nan 8.290 nan 0.000 0.534 181 A N 0.250 123.030 122.820 -0.067 0.000 2.522 181 A HA 0.487 4.808 4.320 0.001 0.000 0.256 181 A C 1.593 179.163 177.584 -0.024 0.000 1.086 181 A CA 1.075 53.131 52.037 0.031 0.000 0.763 181 A CB -0.548 18.126 19.000 -0.544 0.000 1.024 181 A HN 1.709 nan 8.150 nan 0.000 0.502 182 G N 1.430 110.312 108.800 0.138 0.000 2.213 182 G HA2 -0.062 3.898 3.960 0.001 0.000 0.226 182 G HA3 -0.062 3.898 3.960 0.001 0.000 0.226 182 G C 0.972 175.754 174.900 -0.197 0.000 0.992 182 G CA 0.621 45.567 45.100 -0.257 0.000 0.632 182 G HN 1.926 nan 8.290 nan 0.000 0.511 183 G N -0.539 108.211 108.800 -0.083 0.000 2.958 183 G HA2 0.578 4.539 3.960 0.001 0.000 0.225 183 G HA3 0.578 4.539 3.960 0.001 0.000 0.225 183 G C 0.313 175.206 174.900 -0.011 0.000 1.036 183 G CA 0.232 45.313 45.100 -0.032 0.000 0.880 183 G HN 0.537 nan 8.290 nan 0.000 0.557 184 L N 1.424 122.650 121.223 0.006 0.000 2.341 184 L HA 0.495 4.835 4.340 0.001 0.000 0.267 184 L C -2.275 174.684 176.870 0.148 0.000 1.009 184 L CA -2.349 52.507 54.840 0.026 0.000 0.819 184 L CB 2.692 44.652 42.059 -0.166 0.000 1.323 184 L HN -0.145 nan 8.230 nan 0.000 0.425 185 P HA 0.200 nan 4.420 nan 0.000 0.274 185 P C -1.128 176.306 177.300 0.222 0.000 1.231 185 P CA -0.186 63.004 63.100 0.151 0.000 0.790 185 P CB 2.202 33.961 31.700 0.098 0.000 0.951 186 V N 1.229 121.216 119.914 0.121 0.000 3.000 186 V HA 0.285 4.406 4.120 0.001 0.000 0.300 186 V C -1.747 174.315 176.094 -0.054 0.000 1.251 186 V CA -0.686 61.613 62.300 -0.001 0.000 0.972 186 V CB 2.266 33.991 31.823 -0.164 0.000 1.065 186 V HN 0.530 nan 8.190 nan 0.000 0.431 187 D N 5.880 126.228 120.400 -0.085 0.000 2.443 187 D HA 0.304 4.945 4.640 0.001 0.000 0.221 187 D C 1.189 177.392 176.300 -0.162 0.000 1.097 187 D CA -0.420 53.525 54.000 -0.091 0.000 0.865 187 D CB 1.126 41.897 40.800 -0.048 0.000 1.034 187 D HN 0.416 nan 8.370 nan 0.000 0.511 188 I N 2.937 123.372 120.570 -0.224 0.000 2.423 188 I HA -0.226 3.945 4.170 0.001 0.000 0.254 188 I C 2.113 178.071 176.117 -0.266 0.000 1.151 188 I CA 0.761 61.871 61.300 -0.315 0.000 1.421 188 I CB -1.088 36.688 38.000 -0.373 0.000 1.079 188 I HN 0.448 nan 8.210 nan 0.000 0.431 189 A N 0.229 122.912 122.820 -0.228 0.000 2.125 189 A HA -0.148 4.172 4.320 0.001 0.000 0.219 189 A C 1.943 179.557 177.584 0.049 0.000 1.156 189 A CA 1.071 53.057 52.037 -0.085 0.000 0.671 189 A CB -0.354 18.613 19.000 -0.057 0.000 0.794 189 A HN 0.345 nan 8.150 nan 0.000 0.459 190 E N 0.240 120.445 120.200 0.007 0.000 2.482 190 E HA -0.013 4.337 4.350 0.001 0.000 0.196 190 E C 0.723 177.360 176.600 0.062 0.000 1.047 190 E CA 0.945 57.371 56.400 0.044 0.000 0.869 190 E CB -0.250 29.468 29.700 0.030 0.000 0.836 190 E HN 0.751 nan 8.360 nan 0.000 0.520 191 T N -2.634 111.966 114.554 0.076 0.000 2.930 191 T HA 0.385 4.736 4.350 0.001 0.000 0.290 191 T C 0.308 175.122 174.700 0.190 0.000 1.052 191 T CA -0.839 61.318 62.100 0.094 0.000 1.017 191 T CB 2.273 71.184 68.868 0.073 0.000 1.137 191 T HN -0.301 nan 8.240 nan 0.000 0.511 192 D N 0.339 120.816 120.400 0.128 0.000 2.482 192 D HA 0.309 4.949 4.640 0.001 0.000 0.251 192 D C 0.436 176.799 176.300 0.105 0.000 1.073 192 D CA 0.157 54.209 54.000 0.087 0.000 0.892 192 D CB 0.893 41.720 40.800 0.045 0.000 1.202 192 D HN 0.790 nan 8.370 nan 0.000 0.496 193 A N 0.859 123.773 122.820 0.155 0.000 2.446 193 A HA 0.425 4.746 4.320 0.001 0.000 0.282 193 A C -1.932 175.796 177.584 0.240 0.000 1.102 193 A CA -0.498 51.661 52.037 0.203 0.000 0.737 193 A CB 0.873 20.025 19.000 0.254 0.000 1.212 193 A HN 0.107 nan 8.150 nan 0.000 0.434 194 Y N 4.217 124.551 120.300 0.057 0.000 2.388 194 Y HA 0.587 5.137 4.550 0.001 0.000 0.328 194 Y C -0.967 174.951 175.900 0.031 0.000 0.963 194 Y CA -0.942 57.145 58.100 -0.021 0.000 1.240 194 Y CB 0.696 39.114 38.460 -0.070 0.000 1.118 194 Y HN 0.702 nan 8.280 nan 0.000 0.484 195 Y N 5.346 125.433 120.300 -0.356 0.000 2.524 195 Y HA 0.880 5.431 4.550 0.001 0.000 0.344 195 Y C -1.461 174.294 175.900 -0.241 0.000 1.012 195 Y CA -2.002 55.802 58.100 -0.493 0.000 1.068 195 Y CB 1.238 39.054 38.460 -1.073 0.000 1.249 195 Y HN 0.394 nan 8.280 nan 0.000 0.468 196 F N -0.878 118.955 119.950 -0.196 0.000 3.052 196 F HA 0.965 5.492 4.527 0.001 0.000 0.323 196 F C -1.512 174.260 175.800 -0.046 0.000 1.178 196 F CA -1.565 56.338 58.000 -0.160 0.000 0.892 196 F CB 0.810 39.724 39.000 -0.143 0.000 1.416 196 F HN 0.814 nan 8.300 nan 0.000 0.488 197 A N -0.277 122.637 122.820 0.156 0.000 2.527 197 A HA 0.868 5.189 4.320 0.001 0.000 0.293 197 A C -2.743 174.959 177.584 0.195 0.000 1.117 197 A CA -1.841 50.237 52.037 0.069 0.000 0.723 197 A CB 1.456 20.463 19.000 0.013 0.000 1.313 197 A HN 0.533 nan 8.150 nan 0.000 0.411 198 P HA 0.003 nan 4.420 nan 0.000 0.245 198 P C 0.684 178.066 177.300 0.137 0.000 1.206 198 P CA 0.556 63.766 63.100 0.182 0.000 0.781 198 P CB 0.401 32.147 31.700 0.077 0.000 0.994 199 Q N -1.053 118.777 119.800 0.048 0.000 2.320 199 Q HA 0.158 4.498 4.340 0.001 0.000 0.201 199 Q C 0.386 176.318 176.000 -0.113 0.000 0.910 199 Q CA 0.531 56.331 55.803 -0.005 0.000 0.946 199 Q CB 0.161 28.904 28.738 0.008 0.000 1.062 199 Q HN 0.104 nan 8.270 nan 0.000 0.503 200 K N 0.652 120.895 120.400 -0.261 0.000 4.501 200 K HA 0.273 4.593 4.320 0.001 0.000 0.199 200 K C 1.549 177.553 176.600 -0.994 0.000 1.152 200 K CA 0.052 55.828 56.287 -0.850 0.000 1.896 200 K CB -0.065 31.924 32.500 -0.851 0.000 2.663 200 K HN -0.065 nan 8.250 nan 0.000 0.544 201 N N 0.409 118.526 118.700 -0.971 0.000 2.272 201 N HA -0.113 4.627 4.740 0.001 0.000 0.185 201 N C 1.255 176.457 175.510 -0.514 0.000 1.014 201 N CA 1.217 53.883 53.050 -0.639 0.000 0.870 201 N CB -0.049 38.101 38.487 -0.562 0.000 0.975 201 N HN 0.101 nan 8.380 nan 0.000 0.433 202 F N 0.589 120.477 119.950 -0.103 0.000 2.811 202 F HA 0.280 4.807 4.527 0.001 0.000 0.301 202 F C 1.424 177.222 175.800 -0.004 0.000 1.151 202 F CA -0.045 57.959 58.000 0.007 0.000 1.412 202 F CB -0.315 38.727 39.000 0.071 0.000 1.113 202 F HN -0.090 nan 8.300 nan 0.000 0.579 203 A N 0.114 122.960 122.820 0.044 0.000 2.822 203 A HA -0.196 4.124 4.320 0.001 0.000 0.287 203 A C 0.939 178.548 177.584 0.041 0.000 1.479 203 A CA 0.929 52.977 52.037 0.018 0.000 0.779 203 A CB -1.926 17.068 19.000 -0.009 0.000 1.022 203 A HN 0.370 nan 8.150 nan 0.000 0.532 204 S N -1.346 114.392 115.700 0.063 0.000 2.998 204 S HA 0.682 5.152 4.470 0.001 0.000 0.307 204 S C -0.668 173.954 174.600 0.037 0.000 1.063 204 S CA -0.091 58.141 58.200 0.053 0.000 0.895 204 S CB 1.076 64.319 63.200 0.071 0.000 1.362 204 S HN 0.426 nan 8.310 nan 0.000 0.657 205 D N 0.352 120.770 120.400 0.030 0.000 2.268 205 D HA 0.568 5.208 4.640 0.001 0.000 0.249 205 D C 0.346 176.657 176.300 0.018 0.000 1.008 205 D CA -0.034 53.980 54.000 0.023 0.000 0.939 205 D CB 1.400 42.213 40.800 0.022 0.000 1.170 205 D HN 0.650 nan 8.370 nan 0.000 0.468 206 G N -1.331 107.481 108.800 0.019 0.000 2.653 206 G HA2 0.421 4.381 3.960 0.001 0.000 0.265 206 G HA3 0.421 4.381 3.960 0.001 0.000 0.265 206 G C 0.745 175.652 174.900 0.010 0.000 1.237 206 G CA 0.182 45.291 45.100 0.016 0.000 0.946 206 G HN 0.746 nan 8.290 nan 0.000 0.522 207 G N -2.236 106.573 108.800 0.016 0.000 2.159 207 G HA2 0.005 3.965 3.960 0.001 0.000 0.227 207 G HA3 0.005 3.965 3.960 0.001 0.000 0.227 207 G C -0.173 174.724 174.900 -0.004 0.000 0.986 207 G CA 0.487 45.600 45.100 0.022 0.000 0.651 207 G HN 1.312 nan 8.290 nan 0.000 0.523 208 L N 1.524 122.724 121.223 -0.038 0.000 2.408 208 L HA 0.851 5.192 4.340 0.001 0.000 0.268 208 L C -0.232 176.578 176.870 -0.100 0.000 0.986 208 L CA -1.470 53.284 54.840 -0.143 0.000 0.820 208 L CB 1.048 42.999 42.059 -0.181 0.000 1.303 208 L HN 0.326 nan 8.230 nan 0.000 0.411 209 W N 4.732 125.935 121.300 -0.162 0.000 2.578 209 W HA 0.755 5.416 4.660 0.000 0.000 0.346 209 W C -2.092 174.205 176.519 -0.371 0.000 1.075 209 W CA -1.143 56.045 57.345 -0.261 0.000 1.233 209 W CB 0.983 30.316 29.460 -0.211 0.000 1.358 209 W HN 0.363 nan 8.180 nan 0.000 0.574 210 L N 2.470 123.533 121.223 -0.268 0.000 2.381 210 L HA 0.787 5.128 4.340 0.001 0.000 0.268 210 L C -0.319 176.252 176.870 -0.498 0.000 0.997 210 L CA -0.807 53.730 54.840 -0.505 0.000 0.818 210 L CB 1.965 43.439 42.059 -0.975 0.000 1.310 210 L HN 0.630 nan 8.230 nan 0.000 0.416 211 A N 3.302 126.001 122.820 -0.202 0.000 2.414 211 A HA 0.729 5.050 4.320 0.001 0.000 0.286 211 A C -0.888 176.699 177.584 0.005 0.000 1.073 211 A CA -0.315 51.615 52.037 -0.178 0.000 0.727 211 A CB 0.652 19.482 19.000 -0.283 0.000 1.215 211 A HN 0.622 nan 8.150 nan 0.000 0.430 212 I N 3.787 124.413 120.570 0.093 0.000 2.396 212 I HA 0.216 4.387 4.170 0.001 0.000 0.289 212 I C -0.154 176.080 176.117 0.196 0.000 1.056 212 I CA 0.337 61.743 61.300 0.176 0.000 1.365 212 I CB 0.734 38.856 38.000 0.203 0.000 1.407 212 I HN 0.509 nan 8.210 nan 0.000 0.509 213 M N 5.529 125.221 119.600 0.152 0.000 2.383 213 M HA 0.322 4.802 4.480 0.001 0.000 0.325 213 M C 0.030 176.201 176.300 -0.215 0.000 1.092 213 M CA -0.591 54.731 55.300 0.037 0.000 0.961 213 M CB 1.901 34.518 32.600 0.029 0.000 1.672 213 M HN 0.579 nan 8.290 nan 0.000 0.438 214 S N 2.446 117.860 115.700 -0.477 0.000 2.632 214 S HA 0.432 4.902 4.470 0.001 0.000 0.267 214 S C -2.064 172.232 174.600 -0.507 0.000 1.276 214 S CA -0.941 56.601 58.200 -1.096 0.000 0.998 214 S CB 0.718 63.461 63.200 -0.762 0.000 0.953 214 S HN 0.437 nan 8.310 nan 0.000 0.547 215 P HA -0.111 nan 4.420 nan 0.000 0.216 215 P C 1.540 178.764 177.300 -0.127 0.000 1.150 215 P CA 2.065 65.053 63.100 -0.187 0.000 0.843 215 P CB -0.253 31.377 31.700 -0.117 0.000 0.787 216 A N -0.186 122.557 122.820 -0.128 0.000 1.902 216 A HA -0.103 4.218 4.320 0.001 0.000 0.217 216 A C 2.327 179.878 177.584 -0.055 0.000 1.181 216 A CA 2.089 54.087 52.037 -0.066 0.000 0.623 216 A CB -1.571 17.404 19.000 -0.042 0.000 0.818 216 A HN 0.201 nan 8.150 nan 0.000 0.443 217 A N -0.257 122.518 122.820 -0.074 0.000 1.902 217 A HA -0.013 4.307 4.320 0.001 0.000 0.217 217 A C 2.160 179.723 177.584 -0.035 0.000 1.181 217 A CA 1.471 53.486 52.037 -0.037 0.000 0.623 217 A CB -0.603 18.384 19.000 -0.022 0.000 0.818 217 A HN 0.466 nan 8.150 nan 0.000 0.443 218 L N -0.424 120.765 121.223 -0.055 0.000 2.046 218 L HA -0.152 4.189 4.340 0.001 0.000 0.208 218 L C 2.801 179.652 176.870 -0.032 0.000 1.077 218 L CA 1.462 56.279 54.840 -0.038 0.000 0.747 218 L CB -0.429 41.602 42.059 -0.045 0.000 0.896 218 L HN 0.300 nan 8.230 nan 0.000 0.432 219 S N -0.511 115.168 115.700 -0.035 0.000 2.383 219 S HA -0.185 4.285 4.470 0.001 0.000 0.227 219 S C 2.015 176.604 174.600 -0.018 0.000 1.026 219 S CA 1.151 59.337 58.200 -0.024 0.000 0.981 219 S CB -0.222 62.964 63.200 -0.022 0.000 0.818 219 S HN 0.282 nan 8.310 nan 0.000 0.472 220 R N 1.728 122.218 120.500 -0.017 0.000 2.081 220 R HA 0.086 4.427 4.340 0.001 0.000 0.235 220 R C 1.928 178.219 176.300 -0.015 0.000 1.131 220 R CA 1.366 57.460 56.100 -0.011 0.000 0.960 220 R CB -0.816 29.480 30.300 -0.005 0.000 0.856 220 R HN 0.411 nan 8.270 nan 0.000 0.436 221 I N 0.530 121.086 120.570 -0.023 0.000 2.163 221 I HA -0.277 3.893 4.170 0.001 0.000 0.243 221 I C 2.484 178.580 176.117 -0.034 0.000 1.085 221 I CA 1.931 63.211 61.300 -0.034 0.000 1.347 221 I CB -0.415 37.563 38.000 -0.037 0.000 1.044 221 I HN 0.437 nan 8.210 nan 0.000 0.408 222 E N 1.159 121.342 120.200 -0.028 0.000 2.077 222 E HA -0.244 4.106 4.350 0.001 0.000 0.193 222 E C 2.267 178.856 176.600 -0.017 0.000 0.989 222 E CA 1.329 57.714 56.400 -0.025 0.000 0.800 222 E CB -0.037 29.650 29.700 -0.021 0.000 0.746 222 E HN 0.481 nan 8.360 nan 0.000 0.452 223 A N 1.083 123.896 122.820 -0.011 0.000 1.902 223 A HA -0.157 4.164 4.320 0.001 0.000 0.217 223 A C 2.176 179.761 177.584 0.001 0.000 1.181 223 A CA 1.357 53.392 52.037 -0.003 0.000 0.623 223 A CB -0.632 18.368 19.000 0.000 0.000 0.818 223 A HN 0.343 nan 8.150 nan 0.000 0.443 224 I N -0.217 120.351 120.570 -0.002 0.000 2.226 224 I HA -0.289 3.881 4.170 0.001 0.000 0.245 224 I C 2.962 179.079 176.117 -0.000 0.000 1.100 224 I CA 1.051 62.354 61.300 0.005 0.000 1.374 224 I CB -0.341 37.660 38.000 0.002 0.000 1.057 224 I HN 0.363 nan 8.210 nan 0.000 0.413 225 A N 0.737 123.544 122.820 -0.021 0.000 1.933 225 A HA -0.155 4.166 4.320 0.001 0.000 0.218 225 A C 2.459 180.037 177.584 -0.010 0.000 1.175 225 A CA 1.797 53.815 52.037 -0.031 0.000 0.628 225 A CB -0.761 18.208 19.000 -0.051 0.000 0.814 225 A HN 0.441 nan 8.150 nan 0.000 0.444 226 A N -0.306 122.511 122.820 -0.004 0.000 2.172 226 A HA 0.025 4.345 4.320 0.001 0.000 0.216 226 A C 2.176 179.770 177.584 0.017 0.000 1.154 226 A CA 1.934 53.974 52.037 0.005 0.000 0.701 226 A CB -1.139 17.863 19.000 0.003 0.000 0.789 226 A HN 0.770 nan 8.150 nan 0.000 0.465 227 T N -4.351 110.218 114.554 0.025 0.000 3.085 227 T HA 0.315 4.666 4.350 0.001 0.000 0.263 227 T C 1.521 176.253 174.700 0.053 0.000 1.127 227 T CA 1.216 63.339 62.100 0.040 0.000 1.103 227 T CB -0.226 68.672 68.868 0.050 0.000 0.921 227 T HN 1.612 nan 8.240 nan 0.000 0.510 228 G N 1.607 110.436 108.800 0.049 0.000 2.176 228 G HA2 -0.300 3.661 3.960 0.001 0.000 0.253 228 G HA3 -0.300 3.661 3.960 0.001 0.000 0.253 228 G C 0.162 175.126 174.900 0.106 0.000 0.979 228 G CA 0.059 45.200 45.100 0.068 0.000 0.641 228 G HN 0.865 nan 8.290 nan 0.000 0.530 229 R N -0.300 120.264 120.500 0.106 0.000 2.504 229 R HA 0.203 4.543 4.340 0.001 0.000 0.291 229 R C 0.581 176.950 176.300 0.116 0.000 0.974 229 R CA -0.289 55.906 56.100 0.158 0.000 1.077 229 R CB 0.057 30.436 30.300 0.132 0.000 0.926 229 R HN 0.374 nan 8.270 nan 0.000 0.407 230 W N 5.667 126.952 121.300 -0.024 0.000 2.190 230 W HA 0.338 4.999 4.660 0.001 0.000 0.330 230 W C -1.095 175.211 176.519 -0.354 0.000 1.299 230 W CA -0.124 57.137 57.345 -0.140 0.000 1.215 230 W CB 0.715 30.140 29.460 -0.060 0.000 1.147 230 W HN 0.290 nan 8.180 nan 0.000 0.563 231 V N 8.673 127.724 119.914 -1.440 0.000 2.851 231 V HA 0.479 4.599 4.120 0.001 0.000 0.307 231 V C -2.154 172.747 176.094 -1.988 0.000 1.129 231 V CA -2.481 58.643 62.300 -1.960 0.000 0.932 231 V CB 2.158 33.274 31.823 -1.179 0.000 1.024 231 V HN 0.520 nan 8.190 nan 0.000 0.426 232 P HA 0.190 nan 4.420 nan 0.000 0.266 232 P C 0.062 177.039 177.300 -0.538 0.000 1.195 232 P CA 0.181 62.767 63.100 -0.857 0.000 0.768 232 P CB 0.621 32.030 31.700 -0.486 0.000 0.838 233 D N 1.532 121.773 120.400 -0.265 0.000 2.149 233 D HA -0.186 4.455 4.640 0.001 0.000 0.198 233 D C 1.478 177.643 176.300 -0.226 0.000 0.990 233 D CA 1.293 55.126 54.000 -0.279 0.000 0.839 233 D CB -0.485 40.253 40.800 -0.105 0.000 0.948 233 D HN 0.383 nan 8.370 nan 0.000 0.460 234 F N 1.006 120.916 119.950 -0.068 0.000 2.216 234 F HA -0.069 4.459 4.527 0.001 0.000 0.300 234 F C 1.807 177.588 175.800 -0.031 0.000 1.085 234 F CA 0.961 58.995 58.000 0.057 0.000 1.326 234 F CB 0.036 39.084 39.000 0.081 0.000 1.027 234 F HN -0.128 nan 8.300 nan 0.000 0.497 235 L N -0.551 120.545 121.223 -0.212 0.000 2.700 235 L HA 0.173 4.514 4.340 0.001 0.000 0.234 235 L C 0.789 177.426 176.870 -0.390 0.000 1.156 235 L CA -0.157 54.510 54.840 -0.289 0.000 0.946 235 L CB -0.299 41.611 42.059 -0.248 0.000 1.216 235 L HN -0.061 nan 8.230 nan 0.000 0.493 236 S N 0.381 115.837 115.700 -0.407 0.000 2.422 236 S HA 0.248 4.718 4.470 0.001 0.000 0.283 236 S C 1.254 175.698 174.600 -0.260 0.000 1.163 236 S CA -0.511 57.455 58.200 -0.390 0.000 1.054 236 S CB 0.563 63.503 63.200 -0.434 0.000 0.967 236 S HN 0.294 nan 8.310 nan 0.000 0.499 237 L N 6.143 127.232 121.223 -0.223 0.000 2.093 237 L HA 0.029 4.369 4.340 0.001 0.000 0.208 237 L C -0.800 176.016 176.870 -0.090 0.000 1.085 237 L CA 0.803 55.571 54.840 -0.119 0.000 0.755 237 L CB -1.412 40.558 42.059 -0.148 0.000 0.904 237 L HN 0.474 nan 8.230 nan 0.000 0.435 238 P HA -0.192 nan 4.420 nan 0.000 0.215 238 P C 1.834 179.063 177.300 -0.118 0.000 1.157 238 P CA 1.585 64.620 63.100 -0.109 0.000 0.868 238 P CB 0.076 31.701 31.700 -0.124 0.000 0.788 239 I N -0.967 119.489 120.570 -0.190 0.000 2.252 239 I HA -0.222 3.948 4.170 0.001 0.000 0.245 239 I C 2.296 178.331 176.117 -0.138 0.000 1.102 239 I CA 1.344 62.509 61.300 -0.225 0.000 1.385 239 I CB -0.730 36.984 38.000 -0.476 0.000 1.064 239 I HN -0.091 nan 8.210 nan 0.000 0.414 240 A N 0.398 123.160 122.820 -0.097 0.000 1.933 240 A HA -0.136 4.185 4.320 0.001 0.000 0.218 240 A C 2.426 180.008 177.584 -0.004 0.000 1.175 240 A CA 1.550 53.577 52.037 -0.018 0.000 0.628 240 A CB -0.860 18.236 19.000 0.159 0.000 0.814 240 A HN 0.235 nan 8.150 nan 0.000 0.444 241 V N 0.154 120.073 119.914 0.009 0.000 2.307 241 V HA -0.268 3.852 4.120 0.001 0.000 0.245 241 V C 2.553 178.638 176.094 -0.015 0.000 1.045 241 V CA 2.265 64.570 62.300 0.007 0.000 1.024 241 V CB -0.688 31.138 31.823 0.005 0.000 0.651 241 V HN 0.800 nan 8.190 nan 0.000 0.449 242 E N 0.283 120.466 120.200 -0.028 0.000 2.085 242 E HA -0.268 4.082 4.350 0.001 0.000 0.194 242 E C 2.049 178.638 176.600 -0.018 0.000 0.994 242 E CA 1.688 58.072 56.400 -0.026 0.000 0.801 242 E CB -0.132 29.547 29.700 -0.035 0.000 0.743 242 E HN 0.628 nan 8.360 nan 0.000 0.453 243 N N -0.025 118.664 118.700 -0.017 0.000 2.171 243 N HA -0.067 4.673 4.740 0.001 0.000 0.184 243 N C 2.015 177.507 175.510 -0.031 0.000 1.021 243 N CA 1.135 54.178 53.050 -0.011 0.000 0.854 243 N CB -0.115 38.379 38.487 0.011 0.000 0.994 243 N HN 0.065 nan 8.380 nan 0.000 0.426 244 S N 1.573 117.247 115.700 -0.043 0.000 2.368 244 S HA 0.012 4.483 4.470 0.001 0.000 0.225 244 S C 2.095 176.675 174.600 -0.034 0.000 1.030 244 S CA 0.628 58.795 58.200 -0.055 0.000 0.999 244 S CB -0.215 62.951 63.200 -0.058 0.000 0.844 244 S HN 0.265 nan 8.310 nan 0.000 0.459 245 L N 1.322 122.533 121.223 -0.020 0.000 2.353 245 L HA -0.079 4.262 4.340 0.001 0.000 0.220 245 L C 1.688 178.549 176.870 -0.015 0.000 1.133 245 L CA 0.997 55.830 54.840 -0.012 0.000 0.798 245 L CB -0.445 41.609 42.059 -0.008 0.000 0.922 245 L HN 0.402 nan 8.230 nan 0.000 0.445 246 K N -1.603 118.785 120.400 -0.020 0.000 2.699 246 K HA 0.182 4.502 4.320 0.001 0.000 0.210 246 K C -0.110 176.473 176.600 -0.028 0.000 1.076 246 K CA -0.375 55.899 56.287 -0.021 0.000 1.109 246 K CB 0.186 32.674 32.500 -0.020 0.000 0.862 246 K HN -0.042 nan 8.250 nan 0.000 0.470 247 N N 1.661 120.341 118.700 -0.032 0.000 2.735 247 N HA -0.175 4.565 4.740 0.001 0.000 0.248 247 N C -1.226 174.258 175.510 -0.043 0.000 1.083 247 N CA 1.111 54.137 53.050 -0.040 0.000 0.703 247 N CB -1.054 37.413 38.487 -0.035 0.000 1.005 247 N HN 0.681 nan 8.380 nan 0.000 0.550 248 Q N -1.282 118.491 119.800 -0.044 0.000 2.544 248 Q HA 0.672 5.012 4.340 0.001 0.000 0.291 248 Q C -0.039 175.931 176.000 -0.050 0.000 1.068 248 Q CA -0.823 54.961 55.803 -0.031 0.000 0.785 248 Q CB 1.802 30.532 28.738 -0.014 0.000 1.481 248 Q HN 0.291 nan 8.270 nan 0.000 0.430 249 T N -2.716 111.820 114.554 -0.031 0.000 2.942 249 T HA 0.256 4.607 4.350 0.001 0.000 0.289 249 T C 0.203 174.929 174.700 0.044 0.000 1.044 249 T CA -0.594 61.470 62.100 -0.060 0.000 1.023 249 T CB 0.703 69.487 68.868 -0.140 0.000 1.123 249 T HN 0.622 nan 8.240 nan 0.000 0.512 250 Y N 2.171 122.407 120.300 -0.106 0.000 2.145 250 Y HA -0.025 4.525 4.550 0.001 0.000 0.286 250 Y C 1.033 176.938 175.900 0.009 0.000 1.145 250 Y CA 1.869 59.934 58.100 -0.058 0.000 1.148 250 Y CB -0.284 38.117 38.460 -0.100 0.000 0.981 250 Y HN 0.891 nan 8.280 nan 0.000 0.507 251 N N -1.374 117.249 118.700 -0.128 0.000 2.906 251 N HA 0.139 4.880 4.740 0.001 0.000 0.327 251 N C -0.984 174.436 175.510 -0.150 0.000 1.344 251 N CA -0.258 52.683 53.050 -0.183 0.000 0.823 251 N CB 0.395 38.784 38.487 -0.163 0.000 1.351 251 N HN -0.073 nan 8.380 nan 0.000 0.604 252 T N 2.281 116.679 114.554 -0.261 0.000 2.779 252 T HA 0.324 4.675 4.350 0.001 0.000 0.296 252 T C -2.132 172.372 174.700 -0.327 0.000 0.938 252 T CA -0.484 61.276 62.100 -0.567 0.000 1.119 252 T CB 0.656 69.205 68.868 -0.533 0.000 0.891 252 T HN 0.471 nan 8.240 nan 0.000 0.526 253 P HA 0.495 nan 4.420 nan 0.000 0.281 253 P C -1.154 176.039 177.300 -0.179 0.000 1.264 253 P CA -0.889 62.093 63.100 -0.197 0.000 0.824 253 P CB 0.841 32.435 31.700 -0.177 0.000 1.092 254 A N 1.837 124.579 122.820 -0.130 0.000 2.354 254 A HA 0.239 4.559 4.320 0.001 0.000 0.281 254 A C 1.510 179.009 177.584 -0.142 0.000 1.174 254 A CA -0.472 51.503 52.037 -0.102 0.000 0.828 254 A CB -0.857 18.111 19.000 -0.053 0.000 1.099 254 A HN 0.511 nan 8.150 nan 0.000 0.516 255 I N 2.462 122.910 120.570 -0.205 0.000 2.315 255 I HA -0.273 3.897 4.170 0.001 0.000 0.248 255 I C 2.761 178.645 176.117 -0.388 0.000 1.117 255 I CA 1.594 62.673 61.300 -0.370 0.000 1.404 255 I CB -0.218 37.430 38.000 -0.586 0.000 1.071 255 I HN 0.734 nan 8.210 nan 0.000 0.419 256 A N 0.344 123.034 122.820 -0.218 0.000 1.933 256 A HA -0.209 4.111 4.320 0.001 0.000 0.218 256 A C 2.382 179.965 177.584 -0.001 0.000 1.175 256 A CA 2.459 54.520 52.037 0.041 0.000 0.628 256 A CB -1.060 18.127 19.000 0.311 0.000 0.814 256 A HN 0.384 nan 8.150 nan 0.000 0.444 257 T N 0.419 114.956 114.554 -0.029 0.000 2.708 257 T HA -0.079 4.271 4.350 0.001 0.000 0.266 257 T C 1.824 176.493 174.700 -0.051 0.000 1.037 257 T CA 1.476 63.559 62.100 -0.028 0.000 1.146 257 T CB -0.384 68.458 68.868 -0.043 0.000 0.865 257 T HN 0.367 nan 8.240 nan 0.000 0.435 258 L N 0.713 121.881 121.223 -0.092 0.000 2.046 258 L HA -0.103 4.238 4.340 0.001 0.000 0.208 258 L C 3.021 179.845 176.870 -0.076 0.000 1.077 258 L CA 1.295 56.076 54.840 -0.099 0.000 0.747 258 L CB -0.634 41.349 42.059 -0.128 0.000 0.896 258 L HN 0.246 nan 8.230 nan 0.000 0.432 259 A N -0.042 122.723 122.820 -0.090 0.000 1.898 259 A HA -0.138 4.182 4.320 0.001 0.000 0.216 259 A C 2.239 179.820 177.584 -0.005 0.000 1.181 259 A CA 1.314 53.316 52.037 -0.058 0.000 0.620 259 A CB -0.672 18.280 19.000 -0.080 0.000 0.819 259 A HN 0.346 nan 8.150 nan 0.000 0.442 260 L N -0.985 120.244 121.223 0.011 0.000 2.083 260 L HA -0.158 4.182 4.340 0.001 0.000 0.209 260 L C 2.560 179.458 176.870 0.046 0.000 1.083 260 L CA 1.076 55.933 54.840 0.028 0.000 0.752 260 L CB -0.534 41.544 42.059 0.033 0.000 0.899 260 L HN 0.478 nan 8.230 nan 0.000 0.433 261 L N 0.367 121.612 121.223 0.037 0.000 2.017 261 L HA -0.150 4.191 4.340 0.001 0.000 0.208 261 L C 2.658 179.565 176.870 0.060 0.000 1.073 261 L CA 2.105 56.978 54.840 0.055 0.000 0.745 261 L CB -0.789 41.261 42.059 -0.015 0.000 0.894 261 L HN 0.132 nan 8.230 nan 0.000 0.432 262 A N -0.814 122.019 122.820 0.021 0.000 1.908 262 A HA -0.190 4.130 4.320 0.001 0.000 0.218 262 A C 2.140 179.762 177.584 0.064 0.000 1.181 262 A CA 1.759 53.813 52.037 0.028 0.000 0.627 262 A CB -0.618 18.382 19.000 -0.000 0.000 0.818 262 A HN 0.570 nan 8.150 nan 0.000 0.445 263 E N -0.638 119.598 120.200 0.060 0.000 2.106 263 E HA -0.219 4.131 4.350 0.001 0.000 0.192 263 E C 2.133 178.810 176.600 0.129 0.000 0.984 263 E CA 1.598 58.041 56.400 0.070 0.000 0.806 263 E CB -0.364 29.354 29.700 0.031 0.000 0.750 263 E HN 0.786 nan 8.360 nan 0.000 0.458 264 Q N 0.807 120.699 119.800 0.153 0.000 2.079 264 Q HA -0.072 4.268 4.340 0.001 0.000 0.200 264 Q C 2.145 178.362 176.000 0.362 0.000 0.974 264 Q CA 1.106 57.065 55.803 0.261 0.000 0.840 264 Q CB -0.256 28.642 28.738 0.267 0.000 0.898 264 Q HN 0.264 nan 8.270 nan 0.000 0.430 265 I N 0.718 121.472 120.570 0.308 0.000 2.163 265 I HA -0.298 3.873 4.170 0.001 0.000 0.243 265 I C 1.608 177.829 176.117 0.173 0.000 1.085 265 I CA 1.487 62.949 61.300 0.269 0.000 1.347 265 I CB -0.367 37.732 38.000 0.165 0.000 1.044 265 I HN 0.228 nan 8.210 nan 0.000 0.408 266 D N -0.183 120.304 120.400 0.144 0.000 2.117 266 D HA -0.241 4.399 4.640 0.001 0.000 0.197 266 D C 1.658 178.025 176.300 0.111 0.000 0.987 266 D CA 1.080 55.138 54.000 0.097 0.000 0.829 266 D CB -0.380 40.469 40.800 0.081 0.000 0.961 266 D HN 0.460 nan 8.370 nan 0.000 0.460 267 W N 1.507 122.787 121.300 -0.033 0.000 2.355 267 W HA -0.113 4.547 4.660 0.001 0.000 0.309 267 W C 2.016 178.443 176.519 -0.153 0.000 1.206 267 W CA 1.165 58.458 57.345 -0.087 0.000 1.284 267 W CB -0.503 28.929 29.460 -0.046 0.000 1.145 267 W HN -0.080 nan 8.180 nan 0.000 0.502 268 L N -0.411 120.801 121.223 -0.018 0.000 1.994 268 L HA -0.268 4.072 4.340 0.001 0.000 0.208 268 L C 2.350 179.073 176.870 -0.245 0.000 1.071 268 L CA 1.496 56.217 54.840 -0.197 0.000 0.745 268 L CB -1.498 40.591 42.059 0.051 0.000 0.892 268 L HN -0.158 nan 8.230 nan 0.000 0.431 269 V N 0.318 120.159 119.914 -0.121 0.000 2.287 269 V HA -0.242 3.878 4.120 0.001 0.000 0.248 269 V C 2.594 178.574 176.094 -0.190 0.000 1.053 269 V CA 2.119 64.346 62.300 -0.122 0.000 1.027 269 V CB -1.285 30.504 31.823 -0.056 0.000 0.646 269 V HN 0.600 nan 8.190 nan 0.000 0.447 270 G N -0.047 108.623 108.800 -0.216 0.000 2.448 270 G HA2 -0.219 3.741 3.960 0.001 0.000 0.219 270 G HA3 -0.219 3.741 3.960 0.001 0.000 0.219 270 G C 1.288 175.951 174.900 -0.395 0.000 1.127 270 G CA 0.670 45.626 45.100 -0.240 0.000 0.766 270 G HN 0.536 nan 8.290 nan 0.000 0.552 271 N N 0.491 118.785 118.700 -0.676 0.000 2.467 271 N HA 0.121 4.862 4.740 0.001 0.000 0.184 271 N C 1.588 176.644 175.510 -0.756 0.000 1.106 271 N CA 0.986 53.407 53.050 -1.047 0.000 0.892 271 N CB 0.476 37.625 38.487 -2.229 0.000 0.969 271 N HN 0.454 nan 8.380 nan 0.000 0.454 272 G N -1.290 107.281 108.800 -0.382 0.000 2.227 272 G HA2 0.065 4.025 3.960 0.001 0.000 0.168 272 G HA3 0.065 4.025 3.960 0.001 0.000 0.168 272 G C 0.509 175.384 174.900 -0.041 0.000 1.006 272 G CA 0.113 45.129 45.100 -0.140 0.000 0.684 272 G HN 0.671 nan 8.290 nan 0.000 0.489 273 G N -0.714 108.038 108.800 -0.080 0.000 2.584 273 G HA2 0.033 3.994 3.960 0.001 0.000 0.229 273 G HA3 0.033 3.994 3.960 0.001 0.000 0.229 273 G C 0.801 175.700 174.900 -0.003 0.000 1.320 273 G CA 0.231 45.297 45.100 -0.056 0.000 0.891 273 G HN 1.437 nan 8.290 nan 0.000 0.573 274 L N 0.408 121.587 121.223 -0.073 0.000 2.083 274 L HA 0.092 4.432 4.340 0.001 0.000 0.209 274 L C 2.424 179.283 176.870 -0.018 0.000 1.083 274 L CA 3.042 57.831 54.840 -0.085 0.000 0.752 274 L CB -0.787 41.186 42.059 -0.144 0.000 0.899 274 L HN 0.586 nan 8.230 nan 0.000 0.433 275 D N -1.509 118.894 120.400 0.004 0.000 2.144 275 D HA -0.264 4.376 4.640 0.001 0.000 0.199 275 D C 1.751 178.065 176.300 0.024 0.000 0.984 275 D CA 1.407 55.415 54.000 0.012 0.000 0.834 275 D CB -0.418 40.393 40.800 0.018 0.000 0.955 275 D HN 0.573 nan 8.370 nan 0.000 0.465 276 W N 1.845 123.079 121.300 -0.110 0.000 2.355 276 W HA -0.112 4.548 4.660 0.001 0.000 0.309 276 W C 2.373 178.816 176.519 -0.127 0.000 1.206 276 W CA 2.285 59.554 57.345 -0.128 0.000 1.284 276 W CB -0.336 29.016 29.460 -0.180 0.000 1.145 276 W HN -0.044 nan 8.180 nan 0.000 0.502 277 A N -0.157 122.641 122.820 -0.037 0.000 1.902 277 A HA -0.189 4.132 4.320 0.001 0.000 0.217 277 A C 1.996 179.423 177.584 -0.262 0.000 1.181 277 A CA 2.347 54.260 52.037 -0.207 0.000 0.623 277 A CB -1.210 17.778 19.000 -0.021 0.000 0.818 277 A HN 0.204 nan 8.150 nan 0.000 0.443 278 V N -0.063 119.756 119.914 -0.159 0.000 2.427 278 V HA -0.239 3.882 4.120 0.001 0.000 0.248 278 V C 2.411 178.409 176.094 -0.160 0.000 1.051 278 V CA 2.252 64.483 62.300 -0.115 0.000 1.048 278 V CB -0.629 31.166 31.823 -0.048 0.000 0.666 278 V HN 0.537 nan 8.190 nan 0.000 0.456 279 K N -0.106 120.162 120.400 -0.220 0.000 2.097 279 K HA -0.222 4.099 4.320 0.001 0.000 0.206 279 K C 2.350 178.764 176.600 -0.309 0.000 1.049 279 K CA 1.604 57.751 56.287 -0.233 0.000 0.933 279 K CB -0.188 32.173 32.500 -0.231 0.000 0.717 279 K HN 0.246 nan 8.250 nan 0.000 0.442 280 R N 0.880 121.072 120.500 -0.514 0.000 2.062 280 R HA -0.115 4.225 4.340 0.001 0.000 0.231 280 R C 2.307 178.449 176.300 -0.263 0.000 1.136 280 R CA 2.368 58.164 56.100 -0.506 0.000 0.948 280 R CB -0.731 29.051 30.300 -0.863 0.000 0.845 280 R HN 0.317 nan 8.270 nan 0.000 0.430 281 T N -2.110 112.318 114.554 -0.209 0.000 2.867 281 T HA 0.030 4.381 4.350 0.001 0.000 0.268 281 T C 1.962 176.618 174.700 -0.073 0.000 1.057 281 T CA 0.921 62.958 62.100 -0.106 0.000 1.136 281 T CB -0.418 68.416 68.868 -0.057 0.000 0.874 281 T HN 0.288 nan 8.240 nan 0.000 0.466 282 A N 2.030 124.804 122.820 -0.077 0.000 1.902 282 A HA -0.120 4.200 4.320 0.001 0.000 0.217 282 A C 2.227 179.789 177.584 -0.037 0.000 1.181 282 A CA 1.935 53.951 52.037 -0.035 0.000 0.623 282 A CB -1.080 17.896 19.000 -0.040 0.000 0.818 282 A HN 0.552 nan 8.150 nan 0.000 0.443 283 D N -0.362 119.993 120.400 -0.075 0.000 2.084 283 D HA -0.098 4.543 4.640 0.001 0.000 0.194 283 D C 2.207 178.476 176.300 -0.051 0.000 0.990 283 D CA 1.748 55.712 54.000 -0.061 0.000 0.826 283 D CB -0.211 40.537 40.800 -0.088 0.000 0.971 283 D HN 0.316 nan 8.370 nan 0.000 0.453 284 S N -0.454 115.206 115.700 -0.066 0.000 2.353 284 S HA -0.191 4.279 4.470 0.001 0.000 0.222 284 S C 2.154 176.700 174.600 -0.089 0.000 1.035 284 S CA 1.865 60.026 58.200 -0.065 0.000 1.025 284 S CB -0.527 62.636 63.200 -0.062 0.000 0.902 284 S HN 0.522 nan 8.310 nan 0.000 0.440 285 S N 1.365 117.014 115.700 -0.086 0.000 2.402 285 S HA -0.117 4.353 4.470 0.001 0.000 0.229 285 S C 1.898 176.457 174.600 -0.068 0.000 1.021 285 S CA 0.941 59.052 58.200 -0.147 0.000 0.974 285 S CB -0.515 62.677 63.200 -0.012 0.000 0.800 285 S HN 0.385 nan 8.310 nan 0.000 0.484 286 Q N 1.847 121.669 119.800 0.036 0.000 2.135 286 Q HA -0.119 4.221 4.340 0.001 0.000 0.204 286 Q C 2.215 178.246 176.000 0.053 0.000 0.981 286 Q CA 1.506 57.359 55.803 0.083 0.000 0.856 286 Q CB -0.249 28.520 28.738 0.052 0.000 0.902 286 Q HN 0.673 nan 8.270 nan 0.000 0.425 287 R N -0.169 120.331 120.500 0.000 0.000 2.081 287 R HA -0.134 4.206 4.340 0.001 0.000 0.235 287 R C 2.437 178.750 176.300 0.021 0.000 1.131 287 R CA 1.280 57.383 56.100 0.004 0.000 0.960 287 R CB -0.380 29.899 30.300 -0.035 0.000 0.856 287 R HN 0.185 nan 8.270 nan 0.000 0.436 288 L N -0.443 120.733 121.223 -0.077 0.000 2.005 288 L HA -0.149 4.191 4.340 0.001 0.000 0.207 288 L C 1.763 178.678 176.870 0.075 0.000 1.072 288 L CA 1.748 56.543 54.840 -0.075 0.000 0.744 288 L CB -0.393 41.474 42.059 -0.320 0.000 0.895 288 L HN 0.075 nan 8.230 nan 0.000 0.433 289 Y N -0.732 119.644 120.300 0.127 0.000 2.263 289 Y HA -0.101 4.450 4.550 0.001 0.000 0.292 289 Y C 2.799 178.734 175.900 0.059 0.000 1.130 289 Y CA 1.154 59.305 58.100 0.085 0.000 1.179 289 Y CB -1.104 37.383 38.460 0.045 0.000 0.998 289 Y HN 0.169 nan 8.280 nan 0.000 0.532 290 S N -0.666 115.156 115.700 0.204 0.000 2.356 290 S HA -0.244 4.227 4.470 0.001 0.000 0.223 290 S C 1.717 176.383 174.600 0.111 0.000 1.032 290 S CA 1.412 59.686 58.200 0.123 0.000 1.005 290 S CB -0.778 62.483 63.200 0.102 0.000 0.867 290 S HN 0.718 nan 8.310 nan 0.000 0.449 291 W N 2.597 123.879 121.300 -0.029 0.000 2.335 291 W HA -0.185 4.476 4.660 0.001 0.000 0.311 291 W C 2.391 178.853 176.519 -0.094 0.000 1.213 291 W CA 1.442 58.751 57.345 -0.060 0.000 1.274 291 W CB -0.789 28.635 29.460 -0.060 0.000 1.148 291 W HN 0.233 nan 8.180 nan 0.000 0.498 292 A N 0.210 122.896 122.820 -0.224 0.000 1.933 292 A HA -0.268 4.052 4.320 0.001 0.000 0.218 292 A C 1.907 179.239 177.584 -0.420 0.000 1.175 292 A CA 2.011 53.724 52.037 -0.539 0.000 0.628 292 A CB -0.863 18.063 19.000 -0.123 0.000 0.814 292 A HN 0.597 nan 8.150 nan 0.000 0.444 293 Q N -0.728 118.946 119.800 -0.210 0.000 2.119 293 Q HA -0.176 4.164 4.340 0.001 0.000 0.201 293 Q C 1.952 177.809 176.000 -0.238 0.000 0.972 293 Q CA 1.570 57.265 55.803 -0.179 0.000 0.847 293 Q CB -0.143 28.546 28.738 -0.081 0.000 0.903 293 Q HN 0.781 nan 8.270 nan 0.000 0.433 294 E N 0.096 120.140 120.200 -0.260 0.000 2.106 294 E HA -0.071 4.280 4.350 0.001 0.000 0.192 294 E C 0.183 176.568 176.600 -0.358 0.000 0.984 294 E CA 0.411 56.668 56.400 -0.238 0.000 0.806 294 E CB 0.291 29.900 29.700 -0.152 0.000 0.750 294 E HN 0.073 nan 8.360 nan 0.000 0.458 295 R N 1.168 121.296 120.500 -0.620 0.000 2.390 295 R HA 0.076 4.416 4.340 0.001 0.000 0.291 295 R C -1.778 174.088 176.300 -0.723 0.000 1.070 295 R CA -1.832 53.770 56.100 -0.830 0.000 1.014 295 R CB 0.017 29.463 30.300 -1.423 0.000 1.007 295 R HN 0.084 nan 8.270 nan 0.000 0.466 296 P HA -0.051 nan 4.420 nan 0.000 0.233 296 P C 0.279 177.421 177.300 -0.263 0.000 1.167 296 P CA 0.957 63.869 63.100 -0.313 0.000 0.770 296 P CB 0.051 31.668 31.700 -0.139 0.000 0.837 297 Y N -0.761 119.405 120.300 -0.224 0.000 2.485 297 Y HA 0.398 4.948 4.550 0.001 0.000 0.260 297 Y C 0.508 176.159 175.900 -0.415 0.000 1.173 297 Y CA -0.761 57.210 58.100 -0.215 0.000 1.252 297 Y CB -1.043 37.345 38.460 -0.120 0.000 1.123 297 Y HN -0.182 nan 8.280 nan 0.000 0.524 298 T N -2.461 111.730 114.554 -0.605 0.000 2.906 298 T HA 0.700 5.051 4.350 0.001 0.000 0.295 298 T C -0.629 173.829 174.700 -0.403 0.000 1.075 298 T CA -0.712 60.989 62.100 -0.666 0.000 1.005 298 T CB 2.313 70.564 68.868 -1.030 0.000 1.136 298 T HN 0.104 nan 8.240 nan 0.000 0.498 299 T N 1.407 115.813 114.554 -0.246 0.000 2.957 299 T HA 0.567 4.918 4.350 0.001 0.000 0.336 299 T C -3.159 171.544 174.700 0.005 0.000 1.462 299 T CA -1.189 60.837 62.100 -0.122 0.000 1.073 299 T CB 1.607 70.433 68.868 -0.069 0.000 1.319 299 T HN 0.486 nan 8.240 nan 0.000 0.485 300 P HA 0.177 nan 4.420 nan 0.000 0.267 300 P C 0.374 177.777 177.300 0.172 0.000 1.205 300 P CA -0.300 62.889 63.100 0.147 0.000 0.765 300 P CB 0.140 31.873 31.700 0.055 0.000 0.828 301 F N 4.918 124.922 119.950 0.090 0.000 2.161 301 F HA -0.116 4.411 4.527 0.001 0.000 0.300 301 F C 0.476 176.304 175.800 0.047 0.000 1.089 301 F CA 1.258 59.305 58.000 0.078 0.000 1.282 301 F CB -0.175 38.895 39.000 0.116 0.000 1.010 301 F HN -0.007 nan 8.300 nan 0.000 0.485 302 V N 2.352 122.197 119.914 -0.116 0.000 2.405 302 V HA 0.065 4.185 4.120 0.001 0.000 0.264 302 V C 1.421 177.403 176.094 -0.186 0.000 1.048 302 V CA 0.632 62.780 62.300 -0.255 0.000 0.966 302 V CB 0.362 32.103 31.823 -0.137 0.000 1.015 302 V HN 0.477 nan 8.190 nan 0.000 0.477 303 T N 0.186 114.625 114.554 -0.193 0.000 3.014 303 T HA -0.038 4.312 4.350 0.001 0.000 0.263 303 T C 0.694 175.318 174.700 -0.127 0.000 1.078 303 T CA 0.276 62.296 62.100 -0.135 0.000 1.135 303 T CB 0.003 68.804 68.868 -0.111 0.000 0.895 303 T HN 0.548 nan 8.240 nan 0.000 0.480 304 D N 2.947 123.266 120.400 -0.135 0.000 2.339 304 D HA 0.248 4.889 4.640 0.001 0.000 0.241 304 D C -1.776 174.446 176.300 -0.130 0.000 1.183 304 D CA -2.690 51.240 54.000 -0.116 0.000 0.859 304 D CB 1.789 42.524 40.800 -0.108 0.000 1.067 304 D HN 0.023 nan 8.370 nan 0.000 0.484 305 P HA -0.005 nan 4.420 nan 0.000 0.220 305 P C 1.284 178.512 177.300 -0.120 0.000 1.148 305 P CA 0.688 63.698 63.100 -0.151 0.000 0.803 305 P CB 0.221 31.851 31.700 -0.116 0.000 0.782 306 G N -0.548 108.201 108.800 -0.085 0.000 2.509 306 G HA2 -0.135 3.825 3.960 0.001 0.000 0.218 306 G HA3 -0.135 3.825 3.960 0.001 0.000 0.218 306 G C 1.271 176.144 174.900 -0.045 0.000 1.124 306 G CA 0.255 45.322 45.100 -0.055 0.000 0.776 306 G HN 0.267 nan 8.290 nan 0.000 0.547 307 L N -0.461 120.722 121.223 -0.068 0.000 2.585 307 L HA 0.257 4.598 4.340 0.001 0.000 0.226 307 L C 0.985 177.835 176.870 -0.034 0.000 1.113 307 L CA -0.276 54.537 54.840 -0.046 0.000 0.876 307 L CB 0.195 42.208 42.059 -0.076 0.000 1.072 307 L HN 0.032 nan 8.230 nan 0.000 0.468 308 R N 1.077 121.518 120.500 -0.098 0.000 2.343 308 R HA 0.064 4.405 4.340 0.001 0.000 0.326 308 R C 0.518 176.835 176.300 0.029 0.000 1.055 308 R CA -0.072 55.941 56.100 -0.144 0.000 0.961 308 R CB 0.706 30.683 30.300 -0.540 0.000 0.978 308 R HN -0.023 nan 8.270 nan 0.000 0.443 309 S N 2.237 118.028 115.700 0.152 0.000 2.549 309 S HA -0.039 4.432 4.470 0.001 0.000 0.283 309 S C 1.153 175.895 174.600 0.237 0.000 1.320 309 S CA -0.261 58.045 58.200 0.177 0.000 1.058 309 S CB 0.853 64.158 63.200 0.176 0.000 0.882 309 S HN 0.603 nan 8.310 nan 0.000 0.498 310 Q N 2.502 122.391 119.800 0.149 0.000 2.369 310 Q HA -0.044 4.296 4.340 0.001 0.000 0.206 310 Q C 1.720 177.742 176.000 0.038 0.000 0.963 310 Q CA 1.335 57.206 55.803 0.113 0.000 0.894 310 Q CB -0.099 28.674 28.738 0.059 0.000 0.965 310 Q HN 0.832 nan 8.270 nan 0.000 0.475 311 V N -4.608 115.326 119.914 0.033 0.000 3.379 311 V HA 0.202 4.322 4.120 0.001 0.000 0.249 311 V C 0.738 176.714 176.094 -0.198 0.000 1.184 311 V CA -0.160 62.106 62.300 -0.056 0.000 1.106 311 V CB 0.800 32.698 31.823 0.126 0.000 0.826 311 V HN -0.101 nan 8.190 nan 0.000 0.465 312 V N 1.678 121.573 119.914 -0.033 0.000 2.447 312 V HA 0.835 4.955 4.120 0.001 0.000 0.292 312 V C 0.287 176.444 176.094 0.104 0.000 1.021 312 V CA 0.105 62.396 62.300 -0.014 0.000 0.850 312 V CB 1.155 33.023 31.823 0.076 0.000 1.005 312 V HN 0.432 nan 8.190 nan 0.000 0.426 313 G N 2.327 111.167 108.800 0.067 0.000 2.422 313 G HA2 0.600 4.561 3.960 0.001 0.000 0.317 313 G HA3 0.600 4.561 3.960 0.001 0.000 0.317 313 G C -0.080 174.943 174.900 0.206 0.000 1.210 313 G CA -0.424 44.764 45.100 0.146 0.000 0.930 313 G HN 0.684 nan 8.290 nan 0.000 0.468 314 T N 0.631 115.379 114.554 0.323 0.000 2.743 314 T HA 0.586 4.937 4.350 0.001 0.000 0.292 314 T C -0.162 174.746 174.700 0.348 0.000 0.972 314 T CA -0.780 61.505 62.100 0.310 0.000 0.967 314 T CB 1.397 70.486 68.868 0.367 0.000 0.926 314 T HN 0.193 nan 8.240 nan 0.000 0.459 315 I N 3.209 123.962 120.570 0.306 0.000 2.382 315 I HA 0.342 4.512 4.170 0.001 0.000 0.285 315 I C -0.246 176.075 176.117 0.341 0.000 1.007 315 I CA -0.860 60.625 61.300 0.309 0.000 1.142 315 I CB 1.187 39.392 38.000 0.343 0.000 1.289 315 I HN 0.651 nan 8.210 nan 0.000 0.453 316 D N 5.425 125.979 120.400 0.258 0.000 2.341 316 D HA 0.358 4.998 4.640 0.001 0.000 0.245 316 D C -0.550 175.902 176.300 0.253 0.000 1.106 316 D CA 0.407 54.565 54.000 0.265 0.000 0.905 316 D CB 1.086 42.007 40.800 0.201 0.000 1.202 316 D HN 0.064 nan 8.370 nan 0.000 0.426 317 F N 0.402 120.393 119.950 0.067 0.000 2.480 317 F HA 0.221 4.749 4.527 0.001 0.000 0.329 317 F C 0.443 176.281 175.800 0.063 0.000 1.091 317 F CA -1.220 56.828 58.000 0.080 0.000 0.972 317 F CB 1.184 40.240 39.000 0.094 0.000 1.150 317 F HN 0.031 nan 8.300 nan 0.000 0.467 318 V N -0.164 119.863 119.914 0.187 0.000 3.178 318 V HA 0.033 4.153 4.120 0.001 0.000 0.306 318 V C 0.891 177.071 176.094 0.142 0.000 1.107 318 V CA -0.512 61.866 62.300 0.130 0.000 1.195 318 V CB 0.380 32.264 31.823 0.101 0.000 0.993 318 V HN 0.734 nan 8.190 nan 0.000 0.493 319 D N 2.361 122.817 120.400 0.093 0.000 2.149 319 D HA -0.198 4.442 4.640 0.001 0.000 0.194 319 D C 1.527 177.866 176.300 0.065 0.000 1.001 319 D CA 2.223 56.266 54.000 0.071 0.000 0.849 319 D CB -0.225 40.604 40.800 0.048 0.000 0.939 319 D HN 1.046 nan 8.370 nan 0.000 0.449 320 D N -0.331 120.108 120.400 0.065 0.000 2.340 320 D HA -0.038 4.603 4.640 0.001 0.000 0.220 320 D C 0.136 176.463 176.300 0.044 0.000 1.039 320 D CA 0.008 54.034 54.000 0.043 0.000 0.866 320 D CB 0.003 40.822 40.800 0.031 0.000 0.913 320 D HN -0.021 nan 8.370 nan 0.000 0.523 321 V N 1.374 121.343 119.914 0.092 0.000 2.378 321 V HA 0.154 4.274 4.120 0.001 0.000 0.288 321 V C -0.368 175.783 176.094 0.096 0.000 1.016 321 V CA -1.054 61.307 62.300 0.102 0.000 0.840 321 V CB 1.566 33.504 31.823 0.191 0.000 0.994 321 V HN 0.011 nan 8.190 nan 0.000 0.431 322 D N 4.200 124.600 120.400 0.001 0.000 2.374 322 D HA 0.319 4.960 4.640 0.001 0.000 0.240 322 D C 1.025 177.223 176.300 -0.170 0.000 1.229 322 D CA 0.146 54.113 54.000 -0.055 0.000 0.895 322 D CB 1.888 42.661 40.800 -0.043 0.000 1.046 322 D HN 0.609 nan 8.370 nan 0.000 0.498 323 A N 3.412 126.048 122.820 -0.306 0.000 2.019 323 A HA -0.029 4.292 4.320 0.001 0.000 0.219 323 A C 2.020 179.418 177.584 -0.310 0.000 1.164 323 A CA 1.502 53.180 52.037 -0.598 0.000 0.644 323 A CB -0.369 18.163 19.000 -0.780 0.000 0.805 323 A HN 0.609 nan 8.150 nan 0.000 0.449 324 G N -0.930 107.765 108.800 -0.176 0.000 2.402 324 G HA2 -0.138 3.822 3.960 0.001 0.000 0.216 324 G HA3 -0.138 3.822 3.960 0.001 0.000 0.216 324 G C 1.557 176.406 174.900 -0.085 0.000 1.162 324 G CA 1.576 46.612 45.100 -0.106 0.000 0.777 324 G HN 0.422 nan 8.290 nan 0.000 0.539 325 T N 0.968 115.472 114.554 -0.083 0.000 2.746 325 T HA -0.105 4.245 4.350 0.001 0.000 0.267 325 T C 2.567 177.232 174.700 -0.058 0.000 1.039 325 T CA 1.216 63.282 62.100 -0.056 0.000 1.142 325 T CB -0.267 68.572 68.868 -0.048 0.000 0.866 325 T HN 0.060 nan 8.240 nan 0.000 0.444 326 V N 1.872 121.726 119.914 -0.101 0.000 2.287 326 V HA -0.203 3.918 4.120 0.001 0.000 0.248 326 V C 2.927 178.988 176.094 -0.055 0.000 1.053 326 V CA 1.796 64.049 62.300 -0.079 0.000 1.027 326 V CB -1.283 30.456 31.823 -0.140 0.000 0.646 326 V HN 0.539 nan 8.190 nan 0.000 0.447 327 A N -0.510 122.259 122.820 -0.085 0.000 1.908 327 A HA -0.254 4.066 4.320 0.001 0.000 0.218 327 A C 2.312 179.890 177.584 -0.009 0.000 1.181 327 A CA 2.052 54.064 52.037 -0.042 0.000 0.627 327 A CB -0.456 18.514 19.000 -0.050 0.000 0.818 327 A HN 0.549 nan 8.150 nan 0.000 0.445 328 K N -0.643 119.750 120.400 -0.011 0.000 2.057 328 K HA -0.065 4.255 4.320 0.001 0.000 0.207 328 K C 1.824 178.443 176.600 0.031 0.000 1.049 328 K CA 1.585 57.879 56.287 0.011 0.000 0.931 328 K CB -0.346 32.158 32.500 0.008 0.000 0.714 328 K HN 0.545 nan 8.250 nan 0.000 0.440 329 I N 1.146 121.730 120.570 0.023 0.000 2.252 329 I HA -0.277 3.894 4.170 0.001 0.000 0.245 329 I C 2.189 178.329 176.117 0.038 0.000 1.102 329 I CA 1.021 62.340 61.300 0.032 0.000 1.385 329 I CB -0.222 37.793 38.000 0.025 0.000 1.064 329 I HN 0.106 nan 8.210 nan 0.000 0.414 330 L N 0.310 121.553 121.223 0.033 0.000 1.990 330 L HA -0.273 4.068 4.340 0.001 0.000 0.213 330 L C 2.798 179.697 176.870 0.048 0.000 1.072 330 L CA 1.602 56.462 54.840 0.034 0.000 0.755 330 L CB -0.666 41.406 42.059 0.023 0.000 0.889 330 L HN 0.239 nan 8.230 nan 0.000 0.432 331 R N 0.332 120.861 120.500 0.049 0.000 2.091 331 R HA -0.198 4.143 4.340 0.001 0.000 0.238 331 R C 2.210 178.549 176.300 0.065 0.000 1.136 331 R CA 1.567 57.700 56.100 0.055 0.000 0.959 331 R CB -0.265 30.062 30.300 0.045 0.000 0.856 331 R HN 0.367 nan 8.270 nan 0.000 0.437 332 A N 0.375 123.247 122.820 0.086 0.000 2.121 332 A HA -0.054 4.267 4.320 0.001 0.000 0.218 332 A C 1.256 178.937 177.584 0.162 0.000 1.154 332 A CA 1.075 53.196 52.037 0.139 0.000 0.679 332 A CB -0.179 18.956 19.000 0.225 0.000 0.795 332 A HN 0.421 nan 8.150 nan 0.000 0.458 333 N N -0.843 117.919 118.700 0.105 0.000 2.235 333 N HA 0.184 4.925 4.740 0.001 0.000 0.209 333 N C 0.903 176.438 175.510 0.042 0.000 1.122 333 N CA 0.768 53.859 53.050 0.069 0.000 0.845 333 N CB 0.655 39.150 38.487 0.013 0.000 1.004 333 N HN 0.562 nan 8.380 nan 0.000 0.499 334 G N 1.304 110.133 108.800 0.049 0.000 2.143 334 G HA2 -0.251 3.710 3.960 0.001 0.000 0.249 334 G HA3 -0.251 3.710 3.960 0.001 0.000 0.249 334 G C 0.026 174.958 174.900 0.055 0.000 0.981 334 G CA -0.252 44.872 45.100 0.039 0.000 0.665 334 G HN 0.332 nan 8.290 nan 0.000 0.528 335 I N 1.554 122.170 120.570 0.077 0.000 2.371 335 I HA 0.482 4.652 4.170 0.001 0.000 0.282 335 I C 0.601 176.802 176.117 0.141 0.000 1.031 335 I CA -1.097 60.286 61.300 0.138 0.000 1.180 335 I CB 1.336 39.406 38.000 0.117 0.000 1.336 335 I HN 0.171 nan 8.210 nan 0.000 0.467 336 V N 1.598 121.608 119.914 0.159 0.000 2.881 336 V HA 0.637 4.757 4.120 0.001 0.000 0.316 336 V C -0.146 176.035 176.094 0.144 0.000 1.070 336 V CA -0.576 61.793 62.300 0.115 0.000 0.976 336 V CB 1.752 33.617 31.823 0.069 0.000 1.038 336 V HN 0.753 nan 8.190 nan 0.000 0.446 337 D N 1.142 121.606 120.400 0.106 0.000 2.835 337 D HA -0.156 4.484 4.640 0.001 0.000 0.230 337 D C 1.098 177.474 176.300 0.127 0.000 1.130 337 D CA 1.511 55.577 54.000 0.109 0.000 0.738 337 D CB -1.576 39.291 40.800 0.112 0.000 1.090 337 D HN 1.251 nan 8.370 nan 0.000 0.433 338 T N -3.553 111.062 114.554 0.101 0.000 3.086 338 T HA 0.203 4.553 4.350 0.001 0.000 0.250 338 T C 0.656 175.387 174.700 0.052 0.000 1.074 338 T CA -0.263 61.881 62.100 0.074 0.000 0.988 338 T CB 0.456 69.340 68.868 0.026 0.000 0.988 338 T HN -0.009 nan 8.240 nan 0.000 0.530 339 E N 3.604 123.832 120.200 0.048 0.000 2.415 339 E HA 0.264 4.614 4.350 0.001 0.000 0.262 339 E C -2.199 174.434 176.600 0.056 0.000 1.038 339 E CA -1.482 54.934 56.400 0.028 0.000 0.921 339 E CB 0.246 29.956 29.700 0.018 0.000 0.950 339 E HN 0.327 nan 8.360 nan 0.000 0.438 340 P HA -0.050 nan 4.420 nan 0.000 0.274 340 P C -0.764 176.599 177.300 0.105 0.000 1.256 340 P CA -0.374 62.772 63.100 0.078 0.000 0.795 340 P CB 0.320 32.037 31.700 0.029 0.000 1.038 341 Y N 2.133 122.472 120.300 0.065 0.000 2.810 341 Y HA -0.120 4.430 4.550 0.001 0.000 0.332 341 Y C 2.204 178.134 175.900 0.050 0.000 1.243 341 Y CA 0.246 58.399 58.100 0.088 0.000 1.537 341 Y CB 0.449 38.980 38.460 0.119 0.000 1.265 341 Y HN 0.376 nan 8.280 nan 0.000 0.572 342 R N 3.358 123.428 120.500 -0.717 0.000 2.159 342 R HA -0.171 4.169 4.340 0.001 0.000 0.237 342 R C 0.827 176.937 176.300 -0.316 0.000 1.131 342 R CA 2.090 57.934 56.100 -0.427 0.000 0.982 342 R CB -0.304 29.768 30.300 -0.381 0.000 0.868 342 R HN 0.611 nan 8.270 nan 0.000 0.453 343 K N 0.290 120.458 120.400 -0.386 0.000 2.393 343 K HA 0.066 4.386 4.320 0.001 0.000 0.193 343 K C 1.669 178.299 176.600 0.050 0.000 1.026 343 K CA -0.012 56.231 56.287 -0.073 0.000 1.064 343 K CB 0.133 32.666 32.500 0.056 0.000 0.833 343 K HN 0.045 nan 8.250 nan 0.000 0.521 344 L N 0.925 122.203 121.223 0.092 0.000 2.156 344 L HA 0.069 4.409 4.340 0.001 0.000 0.208 344 L C 0.968 177.849 176.870 0.018 0.000 1.095 344 L CA 1.685 56.576 54.840 0.085 0.000 0.770 344 L CB -0.460 41.654 42.059 0.091 0.000 0.914 344 L HN 0.413 nan 8.230 nan 0.000 0.439 345 G N 0.344 109.141 108.800 -0.005 0.000 2.198 345 G HA2 -0.294 3.666 3.960 0.001 0.000 0.257 345 G HA3 -0.294 3.666 3.960 0.001 0.000 0.257 345 G C 0.356 175.243 174.900 -0.022 0.000 1.042 345 G CA 0.465 45.558 45.100 -0.012 0.000 0.791 345 G HN 0.455 nan 8.290 nan 0.000 0.502 346 R N -1.020 119.451 120.500 -0.048 0.000 2.832 346 R HA 0.458 4.799 4.340 0.001 0.000 0.271 346 R C -0.286 175.992 176.300 -0.037 0.000 0.996 346 R CA -1.075 54.990 56.100 -0.059 0.000 0.977 346 R CB 0.742 30.947 30.300 -0.159 0.000 1.168 346 R HN 0.102 nan 8.270 nan 0.000 0.482 347 N N 1.998 120.695 118.700 -0.004 0.000 2.663 347 N HA 0.007 4.748 4.740 0.001 0.000 0.250 347 N C -1.227 174.319 175.510 0.059 0.000 1.129 347 N CA 0.246 53.303 53.050 0.012 0.000 0.995 347 N CB 0.385 38.902 38.487 0.051 0.000 1.324 347 N HN 0.455 nan 8.380 nan 0.000 0.512 348 Q N 2.732 122.533 119.800 0.003 0.000 2.435 348 Q HA 0.414 4.754 4.340 0.001 0.000 0.282 348 Q C -1.711 174.303 176.000 0.022 0.000 1.020 348 Q CA -0.778 55.077 55.803 0.087 0.000 0.820 348 Q CB 1.233 29.972 28.738 0.002 0.000 1.436 348 Q HN 0.376 nan 8.270 nan 0.000 0.395 349 L N 2.021 123.331 121.223 0.146 0.000 2.330 349 L HA 0.688 5.028 4.340 0.001 0.000 0.271 349 L C -0.376 176.584 176.870 0.150 0.000 1.013 349 L CA -0.834 54.075 54.840 0.115 0.000 0.816 349 L CB 1.933 44.094 42.059 0.170 0.000 1.287 349 L HN 0.572 nan 8.230 nan 0.000 0.435 350 R N 1.662 122.230 120.500 0.112 0.000 2.439 350 R HA 0.667 5.008 4.340 0.001 0.000 0.310 350 R C -1.901 174.452 176.300 0.088 0.000 0.955 350 R CA -0.464 55.709 56.100 0.122 0.000 0.853 350 R CB 1.826 32.212 30.300 0.144 0.000 1.171 350 R HN 0.430 nan 8.270 nan 0.000 0.449 351 V N 3.784 123.730 119.914 0.053 0.000 2.444 351 V HA 0.556 4.677 4.120 0.001 0.000 0.294 351 V C -0.042 176.029 176.094 -0.039 0.000 1.022 351 V CA -0.850 61.453 62.300 0.005 0.000 0.850 351 V CB 1.481 33.247 31.823 -0.095 0.000 0.992 351 V HN 0.943 nan 8.190 nan 0.000 0.426 352 A N 5.533 128.325 122.820 -0.046 0.000 2.316 352 A HA 0.848 5.168 4.320 0.001 0.000 0.284 352 A C 0.143 177.557 177.584 -0.284 0.000 1.115 352 A CA -0.335 51.486 52.037 -0.359 0.000 0.812 352 A CB 0.598 19.299 19.000 -0.498 0.000 1.064 352 A HN 0.898 nan 8.150 nan 0.000 0.489 353 M N 2.138 121.450 119.600 -0.479 0.000 3.262 353 M HA 0.231 4.712 4.480 0.001 0.000 0.450 353 M C -1.197 175.012 176.300 -0.151 0.000 1.524 353 M CA -0.087 55.087 55.300 -0.210 0.000 0.770 353 M CB 0.165 32.676 32.600 -0.148 0.000 1.459 353 M HN 0.626 nan 8.290 nan 0.000 0.517 354 F N 1.201 121.155 119.950 0.008 0.000 2.586 354 F HA 0.106 4.633 4.527 0.001 0.000 0.344 354 F C -1.191 174.614 175.800 0.008 0.000 1.188 354 F CA -1.256 56.735 58.000 -0.015 0.000 1.359 354 F CB -0.499 38.489 39.000 -0.020 0.000 1.129 354 F HN 0.006 nan 8.300 nan 0.000 0.609 355 P HA -0.198 nan 4.420 nan 0.000 0.219 355 P C 1.267 178.800 177.300 0.388 0.000 1.146 355 P CA 2.261 65.496 63.100 0.225 0.000 0.808 355 P CB -0.121 31.744 31.700 0.275 0.000 0.779 356 A N -0.612 122.391 122.820 0.306 0.000 1.972 356 A HA -0.075 4.245 4.320 0.001 0.000 0.219 356 A C 1.138 178.782 177.584 0.100 0.000 1.169 356 A CA 0.873 52.992 52.037 0.137 0.000 0.635 356 A CB -1.348 17.645 19.000 -0.012 0.000 0.810 356 A HN 0.068 nan 8.150 nan 0.000 0.446 357 V N 1.923 121.890 119.914 0.090 0.000 2.529 357 V HA 0.027 4.148 4.120 0.001 0.000 0.292 357 V C 0.250 176.382 176.094 0.063 0.000 1.028 357 V CA -0.155 62.156 62.300 0.019 0.000 1.074 357 V CB 0.441 32.260 31.823 -0.007 0.000 0.958 357 V HN 0.494 nan 8.190 nan 0.000 0.481 358 E N 6.982 127.212 120.200 0.050 0.000 2.316 358 E HA 0.127 4.477 4.350 0.001 0.000 0.275 358 E C -1.600 175.032 176.600 0.054 0.000 1.029 358 E CA -1.544 54.899 56.400 0.072 0.000 0.871 358 E CB 1.059 30.799 29.700 0.067 0.000 1.022 358 E HN 0.455 nan 8.360 nan 0.000 0.418 359 P HA -0.206 nan 4.420 nan 0.000 0.216 359 P C 0.529 177.837 177.300 0.013 0.000 1.153 359 P CA 1.182 64.287 63.100 0.008 0.000 0.858 359 P CB 0.258 31.949 31.700 -0.016 0.000 0.789 360 D N -1.066 119.347 120.400 0.022 0.000 2.218 360 D HA -0.134 4.507 4.640 0.001 0.000 0.204 360 D C 1.414 177.728 176.300 0.023 0.000 0.976 360 D CA 1.012 55.021 54.000 0.015 0.000 0.853 360 D CB -0.635 40.177 40.800 0.020 0.000 0.939 360 D HN 0.163 nan 8.370 nan 0.000 0.481 361 D N -0.466 119.969 120.400 0.058 0.000 2.183 361 D HA -0.063 4.578 4.640 0.001 0.000 0.203 361 D C 2.210 178.601 176.300 0.152 0.000 0.969 361 D CA 0.213 54.286 54.000 0.121 0.000 0.842 361 D CB 0.100 40.987 40.800 0.144 0.000 0.957 361 D HN 0.066 nan 8.370 nan 0.000 0.484 362 V N 0.486 120.455 119.914 0.092 0.000 2.358 362 V HA -0.198 3.923 4.120 0.001 0.000 0.246 362 V C 2.439 178.429 176.094 -0.173 0.000 1.047 362 V CA 1.496 63.763 62.300 -0.056 0.000 1.035 362 V CB -0.562 31.228 31.823 -0.054 0.000 0.658 362 V HN 0.132 nan 8.190 nan 0.000 0.452 363 S N 0.441 116.075 115.700 -0.109 0.000 2.359 363 S HA -0.224 4.246 4.470 0.001 0.000 0.224 363 S C 2.244 176.747 174.600 -0.163 0.000 1.035 363 S CA 1.583 59.703 58.200 -0.134 0.000 1.018 363 S CB -0.567 62.594 63.200 -0.064 0.000 0.876 363 S HN 0.661 nan 8.310 nan 0.000 0.448 364 A N 1.429 124.188 122.820 -0.101 0.000 1.902 364 A HA -0.072 4.249 4.320 0.001 0.000 0.217 364 A C 2.126 179.614 177.584 -0.160 0.000 1.181 364 A CA 1.532 53.514 52.037 -0.091 0.000 0.623 364 A CB -0.809 18.174 19.000 -0.030 0.000 0.818 364 A HN 0.420 nan 8.150 nan 0.000 0.443 365 L N 0.702 121.790 121.223 -0.224 0.000 2.013 365 L HA -0.196 4.144 4.340 0.001 0.000 0.212 365 L C 2.747 179.339 176.870 -0.463 0.000 1.073 365 L CA 3.197 57.807 54.840 -0.383 0.000 0.753 365 L CB -1.129 40.493 42.059 -0.729 0.000 0.890 365 L HN 0.602 nan 8.230 nan 0.000 0.432 366 T N -3.568 110.607 114.554 -0.632 0.000 2.788 366 T HA -0.238 4.112 4.350 0.001 0.000 0.268 366 T C 1.808 176.197 174.700 -0.518 0.000 1.044 366 T CA 1.379 62.837 62.100 -1.070 0.000 1.139 366 T CB -0.603 67.303 68.868 -1.603 0.000 0.867 366 T HN 0.581 nan 8.240 nan 0.000 0.454 367 E N -0.011 120.034 120.200 -0.259 0.000 2.106 367 E HA -0.107 4.244 4.350 0.001 0.000 0.192 367 E C 2.160 178.782 176.600 0.036 0.000 0.984 367 E CA 1.238 57.612 56.400 -0.044 0.000 0.806 367 E CB -0.307 29.376 29.700 -0.028 0.000 0.750 367 E HN 0.632 nan 8.360 nan 0.000 0.458 368 C N -0.095 119.180 119.300 -0.041 0.000 2.446 368 C HA -0.074 4.387 4.460 0.001 0.000 0.277 368 C C 2.620 177.687 174.990 0.129 0.000 1.275 368 C CA 0.374 59.403 59.018 0.019 0.000 1.727 368 C CB -0.701 27.000 27.740 -0.064 0.000 2.010 368 C HN 0.331 nan 8.230 nan 0.000 0.486 369 V N 1.312 121.266 119.914 0.066 0.000 2.295 369 V HA -0.217 3.903 4.120 0.001 0.000 0.246 369 V C 2.157 178.449 176.094 0.331 0.000 1.049 369 V CA 2.261 64.689 62.300 0.213 0.000 1.024 369 V CB -0.704 31.282 31.823 0.272 0.000 0.648 369 V HN 0.484 nan 8.190 nan 0.000 0.447 370 D N -1.338 119.281 120.400 0.365 0.000 2.117 370 D HA -0.226 4.415 4.640 0.001 0.000 0.197 370 D C 1.737 178.193 176.300 0.261 0.000 0.987 370 D CA 1.480 55.715 54.000 0.392 0.000 0.829 370 D CB -0.280 40.759 40.800 0.398 0.000 0.961 370 D HN 0.669 nan 8.370 nan 0.000 0.460 371 W N 1.368 122.716 121.300 0.079 0.000 2.358 371 W HA -0.197 4.463 4.660 0.001 0.000 0.303 371 W C 2.123 178.650 176.519 0.014 0.000 1.208 371 W CA 1.144 58.511 57.345 0.036 0.000 1.274 371 W CB -0.201 29.268 29.460 0.015 0.000 1.138 371 W HN -0.247 nan 8.180 nan 0.000 0.515 372 V N 0.044 120.154 119.914 0.327 0.000 2.307 372 V HA -0.316 3.804 4.120 0.001 0.000 0.245 372 V C 2.057 178.121 176.094 -0.051 0.000 1.045 372 V CA 1.868 64.253 62.300 0.142 0.000 1.024 372 V CB -1.227 30.715 31.823 0.199 0.000 0.651 372 V HN 0.111 nan 8.190 nan 0.000 0.449 373 V N -0.074 119.829 119.914 -0.018 0.000 2.407 373 V HA -0.263 3.858 4.120 0.001 0.000 0.248 373 V C 2.368 178.345 176.094 -0.194 0.000 1.055 373 V CA 1.958 64.174 62.300 -0.139 0.000 1.049 373 V CB -0.707 30.943 31.823 -0.288 0.000 0.662 373 V HN 0.633 nan 8.190 nan 0.000 0.455 374 E N -0.226 119.869 120.200 -0.175 0.000 2.265 374 E HA -0.170 4.180 4.350 0.001 0.000 0.196 374 E C 2.012 178.468 176.600 -0.240 0.000 0.996 374 E CA 0.780 57.066 56.400 -0.190 0.000 0.832 374 E CB -0.066 29.530 29.700 -0.173 0.000 0.756 374 E HN 0.549 nan 8.360 nan 0.000 0.491 375 R N -0.124 120.194 120.500 -0.303 0.000 2.432 375 R HA 0.228 4.568 4.340 0.001 0.000 0.260 375 R C 0.448 176.635 176.300 -0.189 0.000 0.935 375 R CA -0.277 55.642 56.100 -0.301 0.000 1.080 375 R CB 0.497 30.495 30.300 -0.504 0.000 1.155 375 R HN 0.013 nan 8.270 nan 0.000 0.531 376 L N 0.000 121.134 121.223 -0.149 0.000 2.949 376 L HA 0.000 4.340 4.340 0.001 0.000 0.249 376 L CA 0.000 54.780 54.840 -0.101 0.000 0.813 376 L CB 0.000 42.006 42.059 -0.088 0.000 0.961 376 L HN 0.000 nan 8.230 nan 0.000 0.502