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 3doi_1_A DATA FIRST_RESID 21 DATA SEQUENCE VKSVTLITKV FPEGEKVCAV VIEYPVEIDG QKLSPDQFSV KVKTGDTYSS DATA SEQUENCE RTITKVYANN SGGLSFSIFN NRGKYVVLEL STEDLHSNTI VFGPNFLNTR DATA SEQUENCE MKLDYIVSQL VPIFDVDGNE VEPFTSKQTD EKHLIIDDFL AFTFKDPETG DATA SEQUENCE VEIPYRLFVP KDVNPDRKYP LVVFLHGAGE RGTDNYLQVA GNRGAVVWAQ DATA SEQUENCE PRYQVVHPCF VLAPQCPPNS SWSTLFTDRE NPFNPEKPLL AVIKIIRKLL DATA SEQUENCE DEYNIDENRI YITGLSMGGY GTWTAIMEFP ELFAAAIPIC GGGDVSKVER DATA SEQUENCE IKDIPIWVFH AEDDPVVPVE NSRVLVKKLA EIGGKVRYTE YEKGFMEKHG DATA SEQUENCE WDPHGSWIPT YENQEAIEWL FEQSR 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 21 V HA 0.000 nan 4.120 nan 0.000 0.244 21 V C 0.000 175.899 176.094 -0.325 0.000 1.182 21 V CA 0.000 62.084 62.300 -0.360 0.000 1.235 21 V CB 0.000 31.389 31.823 -0.723 0.000 1.184 22 K N 2.021 122.257 120.400 -0.273 0.000 2.026 22 K HA 0.034 4.355 4.320 0.001 0.000 0.208 22 K C 0.723 177.213 176.600 -0.185 0.000 1.048 22 K CA 1.635 57.806 56.287 -0.194 0.000 0.929 22 K CB 0.058 32.460 32.500 -0.163 0.000 0.713 22 K HN 0.885 nan 8.250 nan 0.000 0.439 23 S N -0.773 114.795 115.700 -0.219 0.000 2.552 23 S HA 0.389 4.859 4.470 0.001 0.000 0.272 23 S C -0.935 173.580 174.600 -0.141 0.000 1.150 23 S CA -1.060 57.054 58.200 -0.144 0.000 0.849 23 S CB 1.894 65.056 63.200 -0.064 0.000 1.113 23 S HN 0.067 nan 8.310 nan 0.000 0.458 24 V N -0.246 119.620 119.914 -0.081 0.000 2.443 24 V HA 0.853 4.974 4.120 0.001 0.000 0.293 24 V C -0.848 175.232 176.094 -0.024 0.000 1.021 24 V CA -0.186 62.095 62.300 -0.032 0.000 0.848 24 V CB 1.048 32.887 31.823 0.027 0.000 0.998 24 V HN 0.981 nan 8.190 nan 0.000 0.424 25 T N 7.443 121.982 114.554 -0.026 0.000 2.770 25 T HA 0.622 4.973 4.350 0.001 0.000 0.283 25 T C -0.408 174.243 174.700 -0.081 0.000 0.988 25 T CA -0.315 61.756 62.100 -0.049 0.000 0.957 25 T CB 1.159 70.008 68.868 -0.032 0.000 0.930 25 T HN 0.595 nan 8.240 nan 0.000 0.443 26 L N 4.272 125.419 121.223 -0.127 0.000 2.380 26 L HA 0.367 4.707 4.340 0.001 0.000 0.273 26 L C -0.070 176.720 176.870 -0.134 0.000 1.138 26 L CA -0.047 54.677 54.840 -0.192 0.000 0.832 26 L CB 0.256 42.143 42.059 -0.286 0.000 1.124 26 L HN 0.522 nan 8.230 nan 0.000 0.454 27 I N 2.336 122.848 120.570 -0.097 0.000 2.406 27 I HA 0.383 4.554 4.170 0.001 0.000 0.290 27 I C 0.241 176.372 176.117 0.023 0.000 0.999 27 I CA -0.460 60.816 61.300 -0.040 0.000 1.124 27 I CB 1.557 39.543 38.000 -0.023 0.000 1.289 27 I HN 0.615 nan 8.210 nan 0.000 0.441 28 T N 3.265 117.867 114.554 0.080 0.000 2.918 28 T HA 0.673 5.023 4.350 0.001 0.000 0.286 28 T C -0.466 174.291 174.700 0.095 0.000 1.026 28 T CA -0.850 61.336 62.100 0.144 0.000 1.031 28 T CB 2.964 71.968 68.868 0.226 0.000 1.046 28 T HN 0.625 nan 8.240 nan 0.000 0.479 29 K N 1.412 121.852 120.400 0.067 0.000 2.477 29 K HA 0.579 4.900 4.320 0.001 0.000 0.255 29 K C -1.657 174.805 176.600 -0.230 0.000 0.952 29 K CA -0.931 55.257 56.287 -0.164 0.000 0.826 29 K CB 2.621 34.907 32.500 -0.355 0.000 1.331 29 K HN 0.549 nan 8.250 nan 0.000 0.437 30 V N 4.489 124.213 119.914 -0.316 0.000 2.348 30 V HA 0.358 4.478 4.120 0.001 0.000 0.270 30 V C -0.520 175.379 176.094 -0.325 0.000 1.037 30 V CA -0.500 61.679 62.300 -0.202 0.000 0.872 30 V CB -0.019 31.695 31.823 -0.181 0.000 1.002 30 V HN 0.530 nan 8.190 nan 0.000 0.464 31 F N 5.777 125.731 119.950 0.008 0.000 2.403 31 F HA 0.429 4.957 4.527 0.001 0.000 0.326 31 F C -0.936 174.879 175.800 0.025 0.000 1.081 31 F CA -2.118 55.895 58.000 0.022 0.000 1.041 31 F CB 0.792 39.824 39.000 0.053 0.000 1.234 31 F HN 0.315 nan 8.300 nan 0.000 0.503 32 P HA -0.260 nan 4.420 nan 0.000 0.222 32 P C 0.445 177.816 177.300 0.118 0.000 1.155 32 P CA 1.954 65.100 63.100 0.075 0.000 0.890 32 P CB 0.118 31.821 31.700 0.006 0.000 0.790 33 E N -1.598 118.714 120.200 0.187 0.000 2.479 33 E HA 0.413 4.764 4.350 0.001 0.000 0.193 33 E C 1.041 177.807 176.600 0.278 0.000 1.049 33 E CA 0.405 56.944 56.400 0.232 0.000 0.870 33 E CB -0.116 29.727 29.700 0.238 0.000 0.944 33 E HN 0.261 nan 8.360 nan 0.000 0.492 34 G N 0.587 109.532 108.800 0.242 0.000 2.347 34 G HA2 -0.118 3.842 3.960 0.001 0.000 0.341 34 G HA3 -0.118 3.842 3.960 0.001 0.000 0.341 34 G C -1.477 173.547 174.900 0.205 0.000 1.287 34 G CA -0.874 44.341 45.100 0.192 0.000 0.984 34 G HN 0.107 nan 8.290 nan 0.000 0.526 35 E N 0.182 120.469 120.200 0.145 0.000 2.354 35 E HA 0.560 4.911 4.350 0.001 0.000 0.269 35 E C -0.283 176.448 176.600 0.218 0.000 1.036 35 E CA -0.086 56.416 56.400 0.169 0.000 0.876 35 E CB 0.520 30.284 29.700 0.108 0.000 1.009 35 E HN 0.450 nan 8.360 nan 0.000 0.416 36 K N 2.204 122.791 120.400 0.313 0.000 2.435 36 K HA 0.349 4.670 4.320 0.001 0.000 0.251 36 K C -1.257 175.488 176.600 0.241 0.000 0.954 36 K CA -1.008 55.428 56.287 0.248 0.000 0.820 36 K CB 2.364 34.969 32.500 0.175 0.000 1.292 36 K HN 0.298 nan 8.250 nan 0.000 0.436 37 V N 1.838 121.857 119.914 0.175 0.000 2.488 37 V HA -0.002 4.119 4.120 0.001 0.000 0.277 37 V C 1.016 177.194 176.094 0.140 0.000 1.046 37 V CA -0.232 62.137 62.300 0.116 0.000 0.986 37 V CB 0.529 32.367 31.823 0.024 0.000 0.989 37 V HN 1.118 nan 8.190 nan 0.000 0.475 38 C N 2.690 122.078 119.300 0.146 0.000 3.270 38 C HA 0.822 5.282 4.460 0.001 0.000 0.369 38 C C 0.721 175.771 174.990 0.100 0.000 1.326 38 C CA 0.358 59.483 59.018 0.180 0.000 1.846 38 C CB -0.485 27.479 27.740 0.373 0.000 2.534 38 C HN 1.007 nan 8.230 nan 0.000 0.649 39 A N 0.060 122.907 122.820 0.045 0.000 2.599 39 A HA 0.747 5.067 4.320 0.001 0.000 0.290 39 A C -1.722 175.832 177.584 -0.050 0.000 1.101 39 A CA -0.249 51.784 52.037 -0.007 0.000 0.674 39 A CB 0.972 19.964 19.000 -0.014 0.000 1.277 39 A HN 0.541 nan 8.150 nan 0.000 0.419 40 V N 0.544 120.415 119.914 -0.072 0.000 2.577 40 V HA 0.557 4.678 4.120 0.001 0.000 0.303 40 V C -0.832 175.213 176.094 -0.081 0.000 1.042 40 V CA -0.503 61.753 62.300 -0.073 0.000 0.872 40 V CB 1.712 33.511 31.823 -0.040 0.000 0.998 40 V HN 0.757 nan 8.190 nan 0.000 0.423 41 V N 6.327 126.214 119.914 -0.046 0.000 2.417 41 V HA 0.544 4.665 4.120 0.001 0.000 0.291 41 V C -0.271 175.842 176.094 0.031 0.000 1.024 41 V CA -0.433 61.865 62.300 -0.004 0.000 0.861 41 V CB 1.683 33.524 31.823 0.030 0.000 0.985 41 V HN 0.687 nan 8.190 nan 0.000 0.436 42 I N 3.629 124.216 120.570 0.028 0.000 2.354 42 I HA 0.430 4.601 4.170 0.001 0.000 0.292 42 I C 0.236 176.284 176.117 -0.115 0.000 0.989 42 I CA -0.316 60.945 61.300 -0.064 0.000 1.188 42 I CB 1.604 39.556 38.000 -0.081 0.000 1.342 42 I HN 0.615 nan 8.210 nan 0.000 0.457 43 E N 6.158 126.217 120.200 -0.235 0.000 2.046 43 E HA 0.256 4.606 4.350 0.001 0.000 0.279 43 E C -1.467 174.883 176.600 -0.417 0.000 0.989 43 E CA -0.592 55.579 56.400 -0.383 0.000 0.798 43 E CB 0.668 30.129 29.700 -0.399 0.000 1.086 43 E HN 0.394 nan 8.360 nan 0.000 0.399 44 Y N 4.489 124.674 120.300 -0.191 0.000 2.304 44 Y HA 0.165 4.716 4.550 0.001 0.000 0.328 44 Y C -1.428 174.391 175.900 -0.136 0.000 1.123 44 Y CA -2.107 55.921 58.100 -0.120 0.000 1.218 44 Y CB 0.824 39.264 38.460 -0.034 0.000 1.207 44 Y HN 0.585 nan 8.280 nan 0.000 0.495 45 P HA -0.184 nan 4.420 nan 0.000 0.216 45 P C -0.213 177.099 177.300 0.021 0.000 1.153 45 P CA 1.442 64.545 63.100 0.005 0.000 0.858 45 P CB 0.086 31.793 31.700 0.012 0.000 0.789 46 V N -2.082 117.867 119.914 0.058 0.000 3.267 46 V HA 0.277 4.397 4.120 0.001 0.000 0.317 46 V C 0.720 176.841 176.094 0.045 0.000 1.131 46 V CA -1.219 61.104 62.300 0.038 0.000 1.031 46 V CB 0.786 32.628 31.823 0.030 0.000 1.159 46 V HN -0.141 nan 8.190 nan 0.000 0.454 47 E N 0.089 120.310 120.200 0.035 0.000 2.391 47 E HA 0.555 4.906 4.350 0.001 0.000 0.255 47 E C -1.141 175.474 176.600 0.025 0.000 1.187 47 E CA -0.195 56.233 56.400 0.045 0.000 0.941 47 E CB 0.981 30.713 29.700 0.054 0.000 1.010 47 E HN 0.434 nan 8.360 nan 0.000 0.458 48 I N 1.349 121.942 120.570 0.038 0.000 2.775 48 I HA 0.079 4.249 4.170 0.001 0.000 0.295 48 I C -1.228 174.932 176.117 0.072 0.000 1.287 48 I CA -0.894 60.416 61.300 0.016 0.000 1.029 48 I CB 2.097 40.051 38.000 -0.076 0.000 1.282 48 I HN 0.507 nan 8.210 nan 0.000 0.426 49 D N 4.508 124.958 120.400 0.083 0.000 2.280 49 D HA 0.165 4.806 4.640 0.001 0.000 0.243 49 D C 0.829 177.206 176.300 0.129 0.000 1.129 49 D CA -0.472 53.593 54.000 0.108 0.000 0.848 49 D CB 2.179 43.033 40.800 0.090 0.000 1.107 49 D HN 0.721 nan 8.370 nan 0.000 0.471 50 G N 1.702 110.597 108.800 0.158 0.000 2.712 50 G HA2 -0.238 3.722 3.960 0.001 0.000 0.212 50 G HA3 -0.238 3.722 3.960 0.001 0.000 0.212 50 G C 1.153 176.151 174.900 0.163 0.000 1.142 50 G CA 0.146 45.348 45.100 0.170 0.000 0.789 50 G HN 0.647 nan 8.290 nan 0.000 0.535 51 Q N 0.054 119.947 119.800 0.155 0.000 2.268 51 Q HA -0.220 4.120 4.340 0.001 0.000 0.213 51 Q C 1.959 178.019 176.000 0.100 0.000 0.995 51 Q CA 1.729 57.608 55.803 0.125 0.000 0.901 51 Q CB -0.084 28.712 28.738 0.097 0.000 0.921 51 Q HN 0.448 nan 8.270 nan 0.000 0.421 52 K N -1.096 119.368 120.400 0.108 0.000 2.373 52 K HA 0.141 4.461 4.320 0.001 0.000 0.200 52 K C -0.213 176.475 176.600 0.147 0.000 1.054 52 K CA -0.459 55.894 56.287 0.111 0.000 1.065 52 K CB 0.598 33.164 32.500 0.110 0.000 0.886 52 K HN 0.025 nan 8.250 nan 0.000 0.546 53 L N 0.025 121.342 121.223 0.156 0.000 2.505 53 L HA 0.317 4.658 4.340 0.001 0.000 0.226 53 L C 0.154 177.121 176.870 0.161 0.000 1.211 53 L CA 0.389 55.343 54.840 0.190 0.000 0.828 53 L CB 1.118 43.309 42.059 0.220 0.000 1.331 53 L HN -0.092 nan 8.230 nan 0.000 0.513 54 S N -1.759 114.063 115.700 0.204 0.000 2.669 54 S HA 0.318 4.789 4.470 0.001 0.000 0.304 54 S C -2.413 172.314 174.600 0.211 0.000 1.021 54 S CA -0.641 57.649 58.200 0.151 0.000 0.854 54 S CB 0.941 64.204 63.200 0.106 0.000 1.048 54 S HN 0.298 nan 8.310 nan 0.000 0.452 55 P HA -0.126 nan 4.420 nan 0.000 0.216 55 P C 0.724 178.126 177.300 0.169 0.000 1.153 55 P CA 1.671 64.858 63.100 0.145 0.000 0.858 55 P CB -0.172 31.568 31.700 0.067 0.000 0.789 56 D N -0.860 119.599 120.400 0.098 0.000 2.390 56 D HA -0.147 4.494 4.640 0.001 0.000 0.235 56 D C 1.146 177.444 176.300 -0.003 0.000 1.040 56 D CA 0.627 54.654 54.000 0.046 0.000 0.923 56 D CB -1.039 39.773 40.800 0.020 0.000 0.886 56 D HN 0.325 nan 8.370 nan 0.000 0.532 57 Q N -1.037 118.760 119.800 -0.006 0.000 2.319 57 Q HA 0.229 4.569 4.340 0.001 0.000 0.202 57 Q C -0.592 175.069 176.000 -0.565 0.000 0.896 57 Q CA 0.122 55.736 55.803 -0.315 0.000 0.942 57 Q CB 0.438 28.904 28.738 -0.453 0.000 1.083 57 Q HN 0.212 nan 8.270 nan 0.000 0.510 58 F N -0.963 118.949 119.950 -0.065 0.000 2.631 58 F HA 0.436 4.964 4.527 0.001 0.000 0.308 58 F C -0.464 175.293 175.800 -0.071 0.000 1.097 58 F CA -1.003 56.947 58.000 -0.082 0.000 0.952 58 F CB 2.319 41.288 39.000 -0.053 0.000 1.307 58 F HN -0.359 nan 8.300 nan 0.000 0.450 59 S N 1.206 116.987 115.700 0.135 0.000 2.571 59 S HA 0.836 5.307 4.470 0.001 0.000 0.284 59 S C -1.992 172.643 174.600 0.058 0.000 1.128 59 S CA -0.465 57.769 58.200 0.056 0.000 0.970 59 S CB 1.405 64.597 63.200 -0.013 0.000 1.039 59 S HN 0.406 nan 8.310 nan 0.000 0.485 60 V N 5.291 125.240 119.914 0.059 0.000 2.483 60 V HA 0.581 4.701 4.120 0.001 0.000 0.297 60 V C -0.496 175.622 176.094 0.041 0.000 1.027 60 V CA -0.616 61.737 62.300 0.087 0.000 0.855 60 V CB 1.730 33.635 31.823 0.136 0.000 0.995 60 V HN 0.848 nan 8.190 nan 0.000 0.424 61 K N 2.969 123.366 120.400 -0.006 0.000 2.375 61 K HA 0.824 5.145 4.320 0.001 0.000 0.249 61 K C -1.285 175.171 176.600 -0.241 0.000 0.942 61 K CA -0.726 55.521 56.287 -0.066 0.000 0.806 61 K CB 2.778 35.257 32.500 -0.035 0.000 1.227 61 K HN 0.478 nan 8.250 nan 0.000 0.430 62 V N 1.082 120.803 119.914 -0.321 0.000 2.547 62 V HA 0.406 4.527 4.120 0.001 0.000 0.299 62 V C -0.143 175.770 176.094 -0.301 0.000 1.040 62 V CA -1.041 60.903 62.300 -0.594 0.000 0.913 62 V CB 1.404 32.921 31.823 -0.510 0.000 0.992 62 V HN 0.622 nan 8.190 nan 0.000 0.449 63 K N 1.912 122.080 120.400 -0.387 0.000 2.234 63 K HA 0.598 4.918 4.320 0.001 0.000 0.282 63 K C -0.818 175.528 176.600 -0.424 0.000 1.039 63 K CA -0.040 55.855 56.287 -0.654 0.000 0.928 63 K CB 1.076 33.149 32.500 -0.711 0.000 1.039 63 K HN 0.931 nan 8.250 nan 0.000 0.470 64 T N 2.268 116.550 114.554 -0.453 0.000 3.483 64 T HA 0.206 4.557 4.350 0.001 0.000 0.329 64 T C 0.506 175.016 174.700 -0.317 0.000 1.014 64 T CA -0.676 61.194 62.100 -0.383 0.000 1.056 64 T CB 1.621 70.118 68.868 -0.618 0.000 1.090 64 T HN 0.725 nan 8.240 nan 0.000 0.460 65 G N 0.696 109.367 108.800 -0.214 0.000 2.545 65 G HA2 0.046 4.007 3.960 0.001 0.000 0.212 65 G HA3 0.046 4.007 3.960 0.001 0.000 0.212 65 G C 0.684 175.462 174.900 -0.204 0.000 1.144 65 G CA 0.152 45.141 45.100 -0.186 0.000 0.813 65 G HN 0.627 nan 8.290 nan 0.000 0.531 66 D N 0.362 120.654 120.400 -0.181 0.000 2.440 66 D HA 0.127 4.768 4.640 0.001 0.000 0.216 66 D C 0.604 176.792 176.300 -0.187 0.000 1.150 66 D CA 0.365 54.265 54.000 -0.167 0.000 0.832 66 D CB 1.069 41.812 40.800 -0.094 0.000 0.992 66 D HN 0.403 nan 8.370 nan 0.000 0.502 67 T N -2.658 111.745 114.554 -0.253 0.000 2.901 67 T HA 0.509 4.860 4.350 0.001 0.000 0.293 67 T C -0.671 173.795 174.700 -0.389 0.000 1.084 67 T CA -0.742 61.233 62.100 -0.209 0.000 1.008 67 T CB 1.697 70.513 68.868 -0.087 0.000 1.170 67 T HN -0.188 nan 8.240 nan 0.000 0.509 68 Y N 1.074 121.314 120.300 -0.100 0.000 2.352 68 Y HA 0.606 5.156 4.550 0.001 0.000 0.326 68 Y C 1.048 176.882 175.900 -0.109 0.000 1.166 68 Y CA -0.359 57.667 58.100 -0.123 0.000 1.182 68 Y CB 1.819 40.219 38.460 -0.099 0.000 1.216 68 Y HN 0.994 nan 8.280 nan 0.000 0.474 69 S N 0.117 115.829 115.700 0.020 0.000 2.568 69 S HA 0.604 5.075 4.470 0.001 0.000 0.293 69 S C -0.828 173.789 174.600 0.028 0.000 1.089 69 S CA -1.086 57.130 58.200 0.026 0.000 0.945 69 S CB 1.559 64.780 63.200 0.035 0.000 1.077 69 S HN 0.459 nan 8.310 nan 0.000 0.485 70 S N 2.103 117.824 115.700 0.034 0.000 2.528 70 S HA 0.377 4.847 4.470 0.001 0.000 0.277 70 S C 0.056 174.676 174.600 0.033 0.000 1.297 70 S CA -0.654 57.561 58.200 0.025 0.000 1.052 70 S CB -0.014 63.199 63.200 0.022 0.000 0.917 70 S HN 0.470 nan 8.310 nan 0.000 0.492 71 R N 2.070 122.589 120.500 0.033 0.000 2.410 71 R HA 0.298 4.638 4.340 0.001 0.000 0.288 71 R C 0.526 176.855 176.300 0.048 0.000 1.051 71 R CA -0.288 55.846 56.100 0.057 0.000 1.021 71 R CB 0.992 31.356 30.300 0.107 0.000 1.032 71 R HN 0.681 nan 8.270 nan 0.000 0.481 72 T N 1.828 116.405 114.554 0.038 0.000 2.767 72 T HA 0.476 4.826 4.350 0.001 0.000 0.288 72 T C 0.358 175.073 174.700 0.025 0.000 0.963 72 T CA -0.679 61.437 62.100 0.027 0.000 1.019 72 T CB 0.141 69.018 68.868 0.015 0.000 0.923 72 T HN 0.382 nan 8.240 nan 0.000 0.468 73 I N 5.610 126.194 120.570 0.024 0.000 2.337 73 I HA 0.197 4.368 4.170 0.001 0.000 0.291 73 I C 1.886 178.007 176.117 0.007 0.000 1.046 73 I CA -0.488 60.819 61.300 0.012 0.000 1.324 73 I CB 1.428 39.436 38.000 0.014 0.000 1.409 73 I HN 0.913 nan 8.210 nan 0.000 0.494 74 T N 2.819 117.374 114.554 0.002 0.000 2.866 74 T HA 0.172 4.522 4.350 0.001 0.000 0.250 74 T C 0.903 175.605 174.700 0.002 0.000 1.033 74 T CA 0.417 62.520 62.100 0.005 0.000 1.145 74 T CB 0.217 69.091 68.868 0.010 0.000 0.866 74 T HN 0.281 nan 8.240 nan 0.000 0.434 75 K N 0.526 120.922 120.400 -0.006 0.000 2.313 75 K HA 0.824 5.144 4.320 0.001 0.000 0.235 75 K C -1.169 175.389 176.600 -0.070 0.000 1.035 75 K CA -0.976 55.305 56.287 -0.011 0.000 0.868 75 K CB 2.188 34.712 32.500 0.041 0.000 1.232 75 K HN 0.130 nan 8.250 nan 0.000 0.459 76 V N 1.059 120.930 119.914 -0.071 0.000 2.851 76 V HA 0.521 4.641 4.120 0.001 0.000 0.307 76 V C -1.625 174.406 176.094 -0.106 0.000 1.129 76 V CA -0.899 61.290 62.300 -0.185 0.000 0.932 76 V CB 1.606 33.363 31.823 -0.111 0.000 1.024 76 V HN 0.854 nan 8.190 nan 0.000 0.426 77 Y N 1.789 122.002 120.300 -0.145 0.000 2.713 77 Y HA 0.944 5.495 4.550 0.001 0.000 0.335 77 Y C -0.596 175.329 175.900 0.041 0.000 1.222 77 Y CA -1.024 57.019 58.100 -0.096 0.000 1.061 77 Y CB 1.402 39.640 38.460 -0.371 0.000 1.314 77 Y HN 0.837 nan 8.280 nan 0.000 0.453 78 A N 1.765 124.802 122.820 0.363 0.000 2.413 78 A HA 0.844 5.165 4.320 0.001 0.000 0.307 78 A C -1.254 176.551 177.584 0.368 0.000 1.087 78 A CA -0.455 51.761 52.037 0.298 0.000 0.750 78 A CB 1.379 20.506 19.000 0.212 0.000 1.296 78 A HN 1.095 nan 8.150 nan 0.000 0.423 79 N N 0.087 118.978 118.700 0.317 0.000 2.934 79 N HA 0.246 4.987 4.740 0.001 0.000 0.253 79 N C -0.898 174.780 175.510 0.279 0.000 1.466 79 N CA -0.868 52.345 53.050 0.270 0.000 0.858 79 N CB 0.937 39.582 38.487 0.262 0.000 1.459 79 N HN 0.340 nan 8.380 nan 0.000 0.532 80 N N -0.131 118.705 118.700 0.226 0.000 2.322 80 N HA -0.034 4.706 4.740 0.001 0.000 0.181 80 N C 1.706 177.320 175.510 0.174 0.000 1.088 80 N CA 0.701 53.917 53.050 0.276 0.000 0.885 80 N CB 0.032 38.633 38.487 0.190 0.000 1.013 80 N HN 0.645 nan 8.380 nan 0.000 0.472 81 S N 0.045 115.777 115.700 0.054 0.000 2.365 81 S HA -0.092 4.378 4.470 0.001 0.000 0.221 81 S C 1.586 175.977 174.600 -0.349 0.000 1.037 81 S CA 2.439 60.596 58.200 -0.072 0.000 1.060 81 S CB -0.529 62.658 63.200 -0.021 0.000 0.974 81 S HN 0.430 nan 8.310 nan 0.000 0.427 82 G N -0.188 108.351 108.800 -0.434 0.000 2.201 82 G HA2 0.016 3.976 3.960 0.001 0.000 0.212 82 G HA3 0.016 3.976 3.960 0.001 0.000 0.212 82 G C 0.475 175.217 174.900 -0.264 0.000 0.994 82 G CA 0.210 44.880 45.100 -0.717 0.000 0.644 82 G HN 1.167 nan 8.290 nan 0.000 0.508 83 G N -0.554 108.174 108.800 -0.119 0.000 2.537 83 G HA2 0.566 4.527 3.960 0.001 0.000 0.297 83 G HA3 0.566 4.527 3.960 0.001 0.000 0.297 83 G C 1.059 175.999 174.900 0.066 0.000 1.310 83 G CA -0.519 44.563 45.100 -0.029 0.000 1.027 83 G HN 0.526 nan 8.290 nan 0.000 0.505 84 L N 0.816 122.095 121.223 0.094 0.000 2.675 84 L HA 0.088 4.428 4.340 0.001 0.000 0.239 84 L C 1.588 178.595 176.870 0.229 0.000 1.151 84 L CA 0.190 55.152 54.840 0.203 0.000 0.905 84 L CB -0.886 41.262 42.059 0.148 0.000 1.057 84 L HN 0.453 nan 8.230 nan 0.000 0.435 85 S N 0.580 116.378 115.700 0.164 0.000 2.531 85 S HA 0.299 4.769 4.470 0.001 0.000 0.279 85 S C -0.732 173.954 174.600 0.143 0.000 1.305 85 S CA -0.466 57.796 58.200 0.104 0.000 1.058 85 S CB 0.785 64.016 63.200 0.052 0.000 0.899 85 S HN 0.197 nan 8.310 nan 0.000 0.493 86 F N 2.865 122.694 119.950 -0.202 0.000 2.561 86 F HA 0.668 5.195 4.527 0.001 0.000 0.313 86 F C -0.679 174.987 175.800 -0.224 0.000 1.126 86 F CA -0.680 57.113 58.000 -0.344 0.000 0.918 86 F CB 1.968 40.390 39.000 -0.963 0.000 1.199 86 F HN 0.652 nan 8.300 nan 0.000 0.444 87 S N 5.764 120.978 115.700 -0.810 0.000 2.519 87 S HA 0.400 4.871 4.470 0.001 0.000 0.309 87 S C 0.802 174.770 174.600 -1.053 0.000 1.100 87 S CA -0.756 56.931 58.200 -0.855 0.000 1.059 87 S CB 0.686 63.701 63.200 -0.309 0.000 1.008 87 S HN 0.764 nan 8.310 nan 0.000 0.478 88 I N 2.028 121.913 120.570 -1.141 0.000 3.369 88 I HA 0.147 4.318 4.170 0.001 0.000 0.288 88 I C 0.431 176.346 176.117 -0.337 0.000 1.321 88 I CA 1.118 62.008 61.300 -0.684 0.000 1.358 88 I CB -0.365 37.304 38.000 -0.551 0.000 1.038 88 I HN 0.428 nan 8.210 nan 0.000 0.516 89 F N 2.038 121.853 119.950 -0.225 0.000 2.559 89 F HA 0.203 4.730 4.527 0.001 0.000 0.286 89 F C 0.958 176.719 175.800 -0.064 0.000 1.108 89 F CA -0.292 57.639 58.000 -0.115 0.000 1.436 89 F CB -0.323 38.612 39.000 -0.108 0.000 1.130 89 F HN 0.307 nan 8.300 nan 0.000 0.584 90 N N -0.282 118.490 118.700 0.121 0.000 2.703 90 N HA 0.049 4.789 4.740 0.001 0.000 0.283 90 N C -0.583 175.001 175.510 0.124 0.000 1.851 90 N CA -0.054 53.060 53.050 0.108 0.000 0.826 90 N CB -0.587 37.957 38.487 0.094 0.000 1.239 90 N HN -0.104 nan 8.380 nan 0.000 0.495 91 N N 1.955 120.746 118.700 0.153 0.000 3.105 91 N HA -0.020 4.720 4.740 0.001 0.000 0.309 91 N C -0.266 175.367 175.510 0.205 0.000 1.291 91 N CA 0.150 53.347 53.050 0.245 0.000 1.153 91 N CB -0.053 38.606 38.487 0.288 0.000 1.447 91 N HN 0.606 nan 8.380 nan 0.000 0.555 92 R N -1.416 119.189 120.500 0.175 0.000 2.855 92 R HA 0.789 5.130 4.340 0.001 0.000 0.266 92 R C -0.725 175.671 176.300 0.159 0.000 1.034 92 R CA -0.673 55.516 56.100 0.149 0.000 0.944 92 R CB 1.281 31.647 30.300 0.110 0.000 1.219 92 R HN 0.001 nan 8.270 nan 0.000 0.474 93 G N 0.749 109.635 108.800 0.144 0.000 2.345 93 G HA2 -0.009 3.952 3.960 0.001 0.000 0.310 93 G HA3 -0.009 3.952 3.960 0.001 0.000 0.310 93 G C -0.381 174.603 174.900 0.140 0.000 1.476 93 G CA -0.317 44.879 45.100 0.161 0.000 0.978 93 G HN 0.692 nan 8.290 nan 0.000 0.656 94 K N -0.917 119.537 120.400 0.090 0.000 2.442 94 K HA 0.006 4.327 4.320 0.001 0.000 0.198 94 K C -0.203 176.318 176.600 -0.132 0.000 1.042 94 K CA 0.695 56.958 56.287 -0.041 0.000 0.958 94 K CB 0.046 32.439 32.500 -0.178 0.000 0.766 94 K HN 0.412 nan 8.250 nan 0.000 0.474 95 Y N 1.368 121.753 120.300 0.142 0.000 2.335 95 Y HA 0.300 4.851 4.550 0.001 0.000 0.339 95 Y C -0.147 175.830 175.900 0.129 0.000 0.987 95 Y CA -1.098 57.073 58.100 0.119 0.000 1.140 95 Y CB 1.794 40.296 38.460 0.071 0.000 1.173 95 Y HN -0.298 nan 8.280 nan 0.000 0.486 96 V N 5.110 125.183 119.914 0.265 0.000 2.394 96 V HA 0.348 4.468 4.120 0.001 0.000 0.282 96 V C -0.288 175.775 176.094 -0.052 0.000 1.031 96 V CA -0.902 61.471 62.300 0.122 0.000 0.881 96 V CB 1.603 33.556 31.823 0.216 0.000 0.982 96 V HN 0.496 nan 8.190 nan 0.000 0.451 97 V N 6.859 126.618 119.914 -0.258 0.000 2.407 97 V HA 0.427 4.548 4.120 0.001 0.000 0.278 97 V C -0.127 175.645 176.094 -0.536 0.000 1.037 97 V CA -0.391 61.643 62.300 -0.443 0.000 0.900 97 V CB 1.537 32.883 31.823 -0.795 0.000 0.983 97 V HN 0.629 nan 8.190 nan 0.000 0.459 98 L N 5.097 126.095 121.223 -0.376 0.000 2.337 98 L HA 0.500 4.840 4.340 0.001 0.000 0.269 98 L C 0.259 177.010 176.870 -0.198 0.000 1.018 98 L CA -0.213 54.430 54.840 -0.329 0.000 0.876 98 L CB 1.252 43.126 42.059 -0.309 0.000 1.236 98 L HN 0.667 nan 8.230 nan 0.000 0.436 99 E N 4.488 124.578 120.200 -0.184 0.000 2.316 99 E HA 0.449 4.800 4.350 0.001 0.000 0.275 99 E C -1.182 175.408 176.600 -0.018 0.000 1.029 99 E CA -0.453 55.913 56.400 -0.058 0.000 0.871 99 E CB 0.903 30.611 29.700 0.013 0.000 1.022 99 E HN 0.490 nan 8.360 nan 0.000 0.418 100 L N 2.850 124.082 121.223 0.016 0.000 2.334 100 L HA 0.351 4.691 4.340 0.001 0.000 0.273 100 L C 0.310 177.189 176.870 0.016 0.000 1.013 100 L CA -1.143 53.713 54.840 0.026 0.000 0.816 100 L CB 1.761 43.855 42.059 0.058 0.000 1.278 100 L HN 0.453 nan 8.230 nan 0.000 0.431 101 S N -0.046 115.656 115.700 0.003 0.000 2.533 101 S HA -0.006 4.465 4.470 0.001 0.000 0.282 101 S C 1.145 175.707 174.600 -0.064 0.000 1.304 101 S CA 0.033 58.218 58.200 -0.025 0.000 1.063 101 S CB 0.803 63.990 63.200 -0.021 0.000 0.881 101 S HN 0.798 nan 8.310 nan 0.000 0.493 102 T N 2.728 117.202 114.554 -0.134 0.000 3.085 102 T HA 0.092 4.442 4.350 0.001 0.000 0.263 102 T C 0.970 175.558 174.700 -0.187 0.000 1.127 102 T CA 0.900 62.838 62.100 -0.269 0.000 1.103 102 T CB -0.216 68.301 68.868 -0.585 0.000 0.921 102 T HN 0.671 nan 8.240 nan 0.000 0.510 103 E N 1.353 121.487 120.200 -0.111 0.000 2.502 103 E HA 0.150 4.500 4.350 0.001 0.000 0.194 103 E C 0.154 176.719 176.600 -0.059 0.000 1.062 103 E CA -0.034 56.319 56.400 -0.078 0.000 0.867 103 E CB -0.076 29.587 29.700 -0.062 0.000 0.888 103 E HN 0.558 nan 8.360 nan 0.000 0.510 104 D N 0.110 120.481 120.400 -0.048 0.000 2.423 104 D HA -0.074 4.567 4.640 0.001 0.000 0.238 104 D C 1.223 177.493 176.300 -0.050 0.000 1.142 104 D CA -0.140 53.843 54.000 -0.029 0.000 0.884 104 D CB 0.827 41.631 40.800 0.006 0.000 1.199 104 D HN -0.072 nan 8.370 nan 0.000 0.438 105 L N 2.715 123.888 121.223 -0.083 0.000 1.944 105 L HA -0.206 4.135 4.340 0.001 0.000 0.218 105 L C 1.025 177.752 176.870 -0.239 0.000 1.075 105 L CA 1.995 56.711 54.840 -0.206 0.000 0.767 105 L CB -0.936 40.931 42.059 -0.319 0.000 0.890 105 L HN 0.501 nan 8.230 nan 0.000 0.434 106 H N -0.947 118.127 119.070 0.007 0.000 2.820 106 H HA 0.186 4.743 4.556 0.001 0.000 0.291 106 H C 1.700 177.050 175.328 0.037 0.000 1.412 106 H CA 0.471 56.526 56.048 0.011 0.000 1.176 106 H CB -0.293 29.458 29.762 -0.018 0.000 1.467 106 H HN 0.406 nan 8.280 nan 0.000 0.517 107 S N -0.817 114.939 115.700 0.093 0.000 2.414 107 S HA -0.065 4.405 4.470 0.001 0.000 0.227 107 S C 1.029 175.699 174.600 0.117 0.000 1.022 107 S CA -0.235 58.025 58.200 0.101 0.000 0.958 107 S CB 0.134 63.347 63.200 0.022 0.000 0.797 107 S HN 0.398 nan 8.310 nan 0.000 0.493 108 N N 2.185 120.941 118.700 0.092 0.000 2.416 108 N HA 0.050 4.791 4.740 0.001 0.000 0.246 108 N C 1.048 176.610 175.510 0.086 0.000 1.260 108 N CA 1.172 54.273 53.050 0.086 0.000 0.897 108 N CB 0.856 39.376 38.487 0.054 0.000 1.110 108 N HN 0.616 nan 8.380 nan 0.000 0.439 109 T N -2.316 112.275 114.554 0.063 0.000 3.022 109 T HA 0.291 4.642 4.350 0.001 0.000 0.250 109 T C 0.715 175.401 174.700 -0.023 0.000 1.060 109 T CA 0.082 62.208 62.100 0.043 0.000 1.013 109 T CB 0.051 68.953 68.868 0.056 0.000 0.982 109 T HN 0.345 nan 8.240 nan 0.000 0.508 110 I N 1.915 122.435 120.570 -0.082 0.000 2.389 110 I HA 0.504 4.675 4.170 0.001 0.000 0.288 110 I C -0.553 175.368 176.117 -0.326 0.000 0.999 110 I CA -1.275 59.907 61.300 -0.196 0.000 1.129 110 I CB 2.231 40.088 38.000 -0.239 0.000 1.288 110 I HN -0.068 nan 8.210 nan 0.000 0.444 111 V N 7.231 127.005 119.914 -0.233 0.000 2.509 111 V HA 0.360 4.481 4.120 0.001 0.000 0.284 111 V C -0.457 175.490 176.094 -0.246 0.000 1.047 111 V CA -0.297 61.890 62.300 -0.188 0.000 0.952 111 V CB 1.120 32.922 31.823 -0.035 0.000 0.988 111 V HN 0.452 nan 8.190 nan 0.000 0.469 112 F N 6.137 126.114 119.950 0.045 0.000 2.566 112 F HA 0.440 4.967 4.527 0.001 0.000 0.349 112 F C 1.475 177.281 175.800 0.009 0.000 1.245 112 F CA 0.066 58.088 58.000 0.036 0.000 1.169 112 F CB -0.240 38.788 39.000 0.045 0.000 1.470 112 F HN 0.664 nan 8.300 nan 0.000 0.634 113 G N 4.016 112.881 108.800 0.109 0.000 2.614 113 G HA2 0.148 4.108 3.960 0.001 0.000 0.229 113 G HA3 0.148 4.108 3.960 0.001 0.000 0.229 113 G C -2.326 172.607 174.900 0.056 0.000 1.232 113 G CA -0.740 44.399 45.100 0.065 0.000 0.857 113 G HN 0.341 nan 8.290 nan 0.000 0.560 114 P HA 0.368 nan 4.420 nan 0.000 0.285 114 P C 0.276 177.534 177.300 -0.071 0.000 1.285 114 P CA -0.646 62.426 63.100 -0.048 0.000 0.854 114 P CB 1.836 33.518 31.700 -0.031 0.000 1.180 115 N N -0.712 117.904 118.700 -0.140 0.000 1.736 115 N HA -0.236 4.505 4.740 0.001 0.000 0.186 115 N C -0.651 174.609 175.510 -0.417 0.000 0.790 115 N CA 1.533 54.497 53.050 -0.143 0.000 1.247 115 N CB -1.683 36.816 38.487 0.019 0.000 1.496 115 N HN 0.517 nan 8.380 nan 0.000 0.424 116 F N -0.143 119.808 119.950 0.002 0.000 2.520 116 F HA 0.533 5.060 4.527 0.001 0.000 0.371 116 F C -0.859 174.923 175.800 -0.029 0.000 1.540 116 F CA -0.254 57.748 58.000 0.003 0.000 1.091 116 F CB 0.750 39.717 39.000 -0.055 0.000 1.488 116 F HN 0.227 nan 8.300 nan 0.000 0.538 117 L N 2.138 123.423 121.223 0.104 0.000 2.620 117 L HA 0.466 4.806 4.340 0.001 0.000 0.261 117 L C -0.911 175.991 176.870 0.053 0.000 0.978 117 L CA -0.597 54.278 54.840 0.058 0.000 0.897 117 L CB 0.697 42.763 42.059 0.012 0.000 1.207 117 L HN 0.048 nan 8.230 nan 0.000 0.425 118 N N 1.415 120.150 118.700 0.058 0.000 2.463 118 N HA 0.601 5.341 4.740 0.001 0.000 0.270 118 N C -0.298 175.195 175.510 -0.028 0.000 1.205 118 N CA -0.313 52.743 53.050 0.010 0.000 0.974 118 N CB 1.717 40.189 38.487 -0.024 0.000 1.197 118 N HN 0.491 nan 8.380 nan 0.000 0.504 119 T N -0.873 113.646 114.554 -0.058 0.000 2.909 119 T HA 0.338 4.688 4.350 0.001 0.000 0.299 119 T C -0.981 173.673 174.700 -0.077 0.000 1.073 119 T CA -0.805 61.261 62.100 -0.056 0.000 0.999 119 T CB 1.087 69.930 68.868 -0.041 0.000 1.098 119 T HN 0.439 nan 8.240 nan 0.000 0.477 120 R N 5.160 125.616 120.500 -0.073 0.000 2.790 120 R HA 0.277 4.618 4.340 0.001 0.000 0.274 120 R C 0.378 176.628 176.300 -0.083 0.000 1.334 120 R CA -0.473 55.577 56.100 -0.083 0.000 1.543 120 R CB -0.099 30.144 30.300 -0.095 0.000 1.154 120 R HN 0.908 nan 8.270 nan 0.000 0.601 121 M N 4.670 124.233 119.600 -0.060 0.000 2.370 121 M HA -0.212 4.268 4.480 0.001 0.000 0.552 121 M C -0.193 176.080 176.300 -0.045 0.000 1.277 121 M CA 1.190 56.464 55.300 -0.044 0.000 0.629 121 M CB 0.281 32.866 32.600 -0.024 0.000 1.825 121 M HN 0.374 nan 8.290 nan 0.000 0.558 122 K N 6.169 126.543 120.400 -0.044 0.000 2.430 122 K HA 0.093 4.413 4.320 0.001 0.000 0.280 122 K C -0.544 176.059 176.600 0.005 0.000 1.063 122 K CA -0.022 56.245 56.287 -0.034 0.000 1.071 122 K CB 0.119 32.601 32.500 -0.030 0.000 0.899 122 K HN 0.676 nan 8.250 nan 0.000 0.473 123 L N 2.851 124.090 121.223 0.027 0.000 2.453 123 L HA 0.042 4.382 4.340 0.001 0.000 0.272 123 L C 0.079 177.044 176.870 0.158 0.000 1.182 123 L CA 0.388 55.293 54.840 0.108 0.000 0.858 123 L CB 0.371 42.486 42.059 0.094 0.000 1.120 123 L HN 0.720 nan 8.230 nan 0.000 0.474 124 D N 2.948 123.501 120.400 0.255 0.000 2.402 124 D HA 0.321 4.961 4.640 0.001 0.000 0.252 124 D C -1.327 175.156 176.300 0.304 0.000 1.294 124 D CA -0.165 53.961 54.000 0.209 0.000 0.948 124 D CB 0.756 41.584 40.800 0.047 0.000 1.202 124 D HN 0.111 nan 8.370 nan 0.000 0.561 125 Y N 1.167 121.536 120.300 0.114 0.000 2.570 125 Y HA 0.634 5.184 4.550 0.001 0.000 0.345 125 Y C -0.193 175.785 175.900 0.129 0.000 1.014 125 Y CA -1.124 57.060 58.100 0.140 0.000 1.063 125 Y CB 2.092 40.604 38.460 0.087 0.000 1.272 125 Y HN 0.276 nan 8.280 nan 0.000 0.477 126 I N 1.510 122.202 120.570 0.203 0.000 2.607 126 I HA 0.715 4.886 4.170 0.001 0.000 0.290 126 I C -1.973 174.183 176.117 0.065 0.000 1.129 126 I CA -0.588 60.754 61.300 0.070 0.000 1.042 126 I CB 1.373 39.290 38.000 -0.139 0.000 1.242 126 I HN 0.359 nan 8.210 nan 0.000 0.421 127 V N 5.241 125.209 119.914 0.091 0.000 2.914 127 V HA 0.697 4.817 4.120 0.001 0.000 0.314 127 V C -0.523 175.572 176.094 0.001 0.000 1.084 127 V CA -0.429 61.923 62.300 0.087 0.000 0.963 127 V CB 2.326 34.246 31.823 0.163 0.000 1.025 127 V HN 0.806 nan 8.190 nan 0.000 0.432 128 S N 2.109 117.750 115.700 -0.097 0.000 2.548 128 S HA 0.416 4.887 4.470 0.001 0.000 0.276 128 S C -1.017 173.366 174.600 -0.362 0.000 1.129 128 S CA -0.586 57.428 58.200 -0.310 0.000 0.931 128 S CB 1.816 64.898 63.200 -0.197 0.000 1.068 128 S HN 0.765 nan 8.310 nan 0.000 0.480 129 Q N 3.046 122.369 119.800 -0.795 0.000 2.322 129 Q HA 0.386 4.727 4.340 0.001 0.000 0.256 129 Q C -0.059 175.651 176.000 -0.482 0.000 0.960 129 Q CA -0.371 55.051 55.803 -0.634 0.000 0.934 129 Q CB 0.486 28.887 28.738 -0.562 0.000 1.200 129 Q HN 0.766 nan 8.270 nan 0.000 0.435 130 L N 3.634 124.592 121.223 -0.441 0.000 2.307 130 L HA 0.108 4.448 4.340 0.001 0.000 0.211 130 L C 0.682 177.405 176.870 -0.244 0.000 1.099 130 L CA 0.202 54.873 54.840 -0.280 0.000 0.816 130 L CB 0.378 42.306 42.059 -0.218 0.000 0.952 130 L HN 0.503 nan 8.230 nan 0.000 0.455 131 V N -5.332 114.400 119.914 -0.302 0.000 3.102 131 V HA 0.620 4.741 4.120 0.001 0.000 0.312 131 V C -2.792 173.143 176.094 -0.264 0.000 1.135 131 V CA -2.555 59.600 62.300 -0.241 0.000 1.022 131 V CB 1.477 33.165 31.823 -0.224 0.000 1.056 131 V HN -0.207 nan 8.190 nan 0.000 0.436 132 P HA 0.465 nan 4.420 nan 0.000 0.270 132 P C -0.660 176.435 177.300 -0.342 0.000 1.223 132 P CA 0.051 62.997 63.100 -0.257 0.000 0.785 132 P CB 0.285 31.826 31.700 -0.265 0.000 0.923 133 I N -2.566 117.812 120.570 -0.319 0.000 2.730 133 I HA 0.513 4.684 4.170 0.001 0.000 0.298 133 I C -0.802 175.145 176.117 -0.283 0.000 1.089 133 I CA -1.254 59.868 61.300 -0.297 0.000 1.041 133 I CB 1.607 39.511 38.000 -0.161 0.000 1.235 133 I HN 0.005 nan 8.210 nan 0.000 0.423 134 F N 3.885 123.803 119.950 -0.054 0.000 2.472 134 F HA 0.240 4.768 4.527 0.001 0.000 0.364 134 F C 0.845 176.614 175.800 -0.052 0.000 1.090 134 F CA 0.005 57.981 58.000 -0.040 0.000 1.188 134 F CB 0.293 39.282 39.000 -0.020 0.000 1.105 134 F HN 0.589 nan 8.300 nan 0.000 0.536 135 D N 2.396 122.856 120.400 0.101 0.000 2.387 135 D HA 0.110 4.751 4.640 0.001 0.000 0.255 135 D C 1.018 177.362 176.300 0.074 0.000 1.081 135 D CA -0.516 53.509 54.000 0.043 0.000 0.994 135 D CB 1.601 42.390 40.800 -0.018 0.000 1.127 135 D HN 0.398 nan 8.370 nan 0.000 0.513 136 V N -0.997 118.947 119.914 0.049 0.000 3.217 136 V HA -0.009 4.111 4.120 0.001 0.000 0.264 136 V C 0.981 177.099 176.094 0.040 0.000 1.135 136 V CA 1.853 64.181 62.300 0.048 0.000 1.142 136 V CB -0.709 31.140 31.823 0.044 0.000 0.754 136 V HN 0.677 nan 8.190 nan 0.000 0.484 137 D N 0.039 120.462 120.400 0.038 0.000 2.402 137 D HA 0.253 4.893 4.640 0.001 0.000 0.216 137 D C 0.977 177.296 176.300 0.031 0.000 1.128 137 D CA 0.697 54.715 54.000 0.031 0.000 0.833 137 D CB 0.579 41.394 40.800 0.026 0.000 0.971 137 D HN 0.476 nan 8.370 nan 0.000 0.503 138 G N 0.277 109.102 108.800 0.040 0.000 3.075 138 G HA2 0.149 4.109 3.960 0.001 0.000 0.156 138 G HA3 0.149 4.109 3.960 0.001 0.000 0.156 138 G C 0.437 175.364 174.900 0.046 0.000 1.403 138 G CA -0.292 44.840 45.100 0.054 0.000 1.033 138 G HN 0.174 nan 8.290 nan 0.000 0.589 139 N N -0.638 118.097 118.700 0.058 0.000 2.118 139 N HA 0.180 4.920 4.740 0.001 0.000 0.226 139 N C -0.870 174.685 175.510 0.075 0.000 1.305 139 N CA -0.029 53.089 53.050 0.113 0.000 0.890 139 N CB 0.995 39.579 38.487 0.162 0.000 1.118 139 N HN 0.297 nan 8.380 nan 0.000 0.511 140 E N 0.658 120.854 120.200 -0.006 0.000 2.409 140 E HA 0.250 4.601 4.350 0.001 0.000 0.259 140 E C -1.134 175.426 176.600 -0.067 0.000 0.932 140 E CA -0.374 55.973 56.400 -0.088 0.000 0.809 140 E CB 2.324 31.970 29.700 -0.089 0.000 1.341 140 E HN -0.150 nan 8.360 nan 0.000 0.405 141 V N 2.711 122.573 119.914 -0.087 0.000 2.394 141 V HA 0.218 4.338 4.120 0.001 0.000 0.282 141 V C 0.464 176.556 176.094 -0.004 0.000 1.031 141 V CA -0.833 61.456 62.300 -0.019 0.000 0.881 141 V CB 1.529 33.344 31.823 -0.014 0.000 0.982 141 V HN 0.410 nan 8.190 nan 0.000 0.451 142 E N 4.891 125.117 120.200 0.043 0.000 2.313 142 E HA 0.312 4.663 4.350 0.001 0.000 0.276 142 E C -2.392 174.260 176.600 0.087 0.000 1.031 142 E CA -2.196 54.221 56.400 0.028 0.000 0.857 142 E CB 0.730 30.444 29.700 0.023 0.000 1.040 142 E HN 0.422 nan 8.360 nan 0.000 0.408 143 P HA -0.111 nan 4.420 nan 0.000 0.265 143 P C -0.665 176.688 177.300 0.088 0.000 1.167 143 P CA 0.798 63.877 63.100 -0.035 0.000 0.760 143 P CB 0.094 31.741 31.700 -0.088 0.000 0.783 144 F N -0.561 119.391 119.950 0.003 0.000 2.643 144 F HA 0.803 5.331 4.527 0.001 0.000 0.314 144 F C -1.045 174.758 175.800 0.004 0.000 1.096 144 F CA -0.768 57.236 58.000 0.006 0.000 0.953 144 F CB 1.225 40.237 39.000 0.019 0.000 1.345 144 F HN 0.070 nan 8.300 nan 0.000 0.468 145 T N 1.178 115.879 114.554 0.244 0.000 2.900 145 T HA 0.679 5.030 4.350 0.001 0.000 0.295 145 T C -1.469 173.404 174.700 0.288 0.000 1.044 145 T CA -0.822 61.369 62.100 0.151 0.000 0.995 145 T CB 1.600 70.473 68.868 0.008 0.000 1.072 145 T HN 0.870 nan 8.240 nan 0.000 0.473 146 S N 1.277 117.125 115.700 0.246 0.000 2.543 146 S HA 0.478 4.948 4.470 0.001 0.000 0.273 146 S C -0.858 173.817 174.600 0.126 0.000 1.152 146 S CA -0.857 57.450 58.200 0.180 0.000 0.910 146 S CB 1.061 64.386 63.200 0.207 0.000 1.105 146 S HN 0.608 nan 8.310 nan 0.000 0.465 147 K N 1.802 122.254 120.400 0.087 0.000 2.159 147 K HA 0.186 4.506 4.320 0.001 0.000 0.242 147 K C 0.731 177.390 176.600 0.098 0.000 1.043 147 K CA -0.423 55.924 56.287 0.100 0.000 0.856 147 K CB 0.164 32.716 32.500 0.087 0.000 1.072 147 K HN 0.714 nan 8.250 nan 0.000 0.514 148 Q N -0.040 119.822 119.800 0.104 0.000 2.396 148 Q HA 0.038 4.379 4.340 0.001 0.000 0.221 148 Q C -0.027 175.987 176.000 0.022 0.000 1.025 148 Q CA 0.303 56.140 55.803 0.058 0.000 0.946 148 Q CB 1.348 30.105 28.738 0.032 0.000 1.224 148 Q HN 0.568 nan 8.270 nan 0.000 0.539 149 T N -0.500 114.051 114.554 -0.005 0.000 2.969 149 T HA 0.170 4.521 4.350 0.001 0.000 0.250 149 T C -0.782 173.903 174.700 -0.025 0.000 1.021 149 T CA 0.175 62.264 62.100 -0.018 0.000 1.003 149 T CB 0.283 69.130 68.868 -0.035 0.000 1.040 149 T HN 0.563 nan 8.240 nan 0.000 0.492 150 D N 1.021 121.399 120.400 -0.037 0.000 2.886 150 D HA 0.223 4.863 4.640 0.001 0.000 0.216 150 D C -1.240 175.007 176.300 -0.089 0.000 1.256 150 D CA -0.286 53.679 54.000 -0.058 0.000 0.844 150 D CB 2.477 43.244 40.800 -0.055 0.000 1.669 150 D HN 0.206 nan 8.370 nan 0.000 0.513 151 E N 1.247 121.374 120.200 -0.122 0.000 2.222 151 E HA 0.441 4.792 4.350 0.001 0.000 0.272 151 E C -0.292 176.096 176.600 -0.353 0.000 0.982 151 E CA -0.807 55.467 56.400 -0.210 0.000 0.842 151 E CB 2.539 32.150 29.700 -0.148 0.000 1.144 151 E HN 0.055 nan 8.360 nan 0.000 0.397 152 K N 2.598 122.737 120.400 -0.435 0.000 2.762 152 K HA 0.171 4.491 4.320 0.001 0.000 0.272 152 K C -1.820 174.610 176.600 -0.283 0.000 1.093 152 K CA -0.425 55.645 56.287 -0.362 0.000 1.048 152 K CB 0.402 32.800 32.500 -0.170 0.000 1.304 152 K HN 0.645 nan 8.250 nan 0.000 0.511 153 H N 3.955 123.048 119.070 0.039 0.000 2.761 153 H HA 0.255 4.811 4.556 0.001 0.000 0.284 153 H C 0.336 175.670 175.328 0.010 0.000 1.105 153 H CA -0.564 55.508 56.048 0.040 0.000 1.352 153 H CB 0.715 30.536 29.762 0.097 0.000 1.423 153 H HN 0.233 nan 8.280 nan 0.000 0.464 154 L N 4.590 125.860 121.223 0.078 0.000 2.525 154 L HA -0.114 4.227 4.340 0.001 0.000 0.278 154 L C 0.810 177.691 176.870 0.018 0.000 1.218 154 L CA 0.070 54.926 54.840 0.027 0.000 0.878 154 L CB 0.270 42.317 42.059 -0.019 0.000 1.127 154 L HN 0.897 nan 8.230 nan 0.000 0.492 155 I N 2.110 122.711 120.570 0.052 0.000 5.931 155 I HA -0.385 3.786 4.170 0.001 0.000 0.199 155 I C 1.069 177.204 176.117 0.029 0.000 1.808 155 I CA 0.919 62.265 61.300 0.077 0.000 2.065 155 I CB -1.624 36.364 38.000 -0.020 0.000 3.387 155 I HN 0.715 nan 8.210 nan 0.000 0.216 156 I N 0.583 121.161 120.570 0.014 0.000 3.971 156 I HA -0.031 4.139 4.170 0.001 0.000 0.303 156 I C 1.610 177.778 176.117 0.084 0.000 1.233 156 I CA 0.809 62.035 61.300 -0.123 0.000 1.346 156 I CB 0.051 37.897 38.000 -0.257 0.000 1.273 156 I HN 0.178 nan 8.210 nan 0.000 0.448 157 D N -0.009 120.494 120.400 0.172 0.000 2.332 157 D HA -0.116 4.524 4.640 0.001 0.000 0.244 157 D C 0.776 177.194 176.300 0.197 0.000 1.136 157 D CA 0.571 54.685 54.000 0.190 0.000 0.884 157 D CB -0.201 40.691 40.800 0.153 0.000 0.906 157 D HN 0.186 nan 8.370 nan 0.000 0.520 158 D N -0.712 119.882 120.400 0.322 0.000 2.388 158 D HA 0.063 4.703 4.640 0.001 0.000 0.208 158 D C -0.171 176.317 176.300 0.314 0.000 1.035 158 D CA -0.063 54.122 54.000 0.307 0.000 0.875 158 D CB 0.036 41.083 40.800 0.410 0.000 0.984 158 D HN 0.129 nan 8.370 nan 0.000 0.508 159 F N 1.583 121.625 119.950 0.152 0.000 2.472 159 F HA 0.248 4.775 4.527 0.001 0.000 0.364 159 F C 0.946 176.782 175.800 0.060 0.000 1.090 159 F CA -0.720 57.368 58.000 0.147 0.000 1.188 159 F CB 0.057 39.144 39.000 0.145 0.000 1.105 159 F HN -0.277 nan 8.300 nan 0.000 0.536 160 L N 3.238 124.565 121.223 0.174 0.000 2.473 160 L HA 0.422 4.763 4.340 0.001 0.000 0.268 160 L C 0.513 177.330 176.870 -0.089 0.000 1.215 160 L CA -0.343 54.503 54.840 0.010 0.000 0.823 160 L CB 0.232 42.362 42.059 0.117 0.000 1.099 160 L HN 0.728 nan 8.230 nan 0.000 0.483 161 A N 2.188 124.756 122.820 -0.421 0.000 2.337 161 A HA 0.868 5.188 4.320 0.001 0.000 0.329 161 A C -1.106 175.978 177.584 -0.833 0.000 1.146 161 A CA -0.290 51.508 52.037 -0.399 0.000 0.800 161 A CB 0.691 19.568 19.000 -0.205 0.000 1.220 161 A HN 0.458 nan 8.150 nan 0.000 0.472 162 F N -0.190 119.505 119.950 -0.424 0.000 2.641 162 F HA 0.540 5.068 4.527 0.001 0.000 0.308 162 F C 0.306 175.872 175.800 -0.391 0.000 1.105 162 F CA -0.208 57.526 58.000 -0.444 0.000 0.964 162 F CB 2.622 41.208 39.000 -0.691 0.000 1.294 162 F HN 0.541 nan 8.300 nan 0.000 0.442 163 T N 1.383 116.024 114.554 0.145 0.000 2.940 163 T HA 0.646 4.997 4.350 0.001 0.000 0.288 163 T C -1.605 173.368 174.700 0.454 0.000 1.033 163 T CA -0.616 61.640 62.100 0.259 0.000 1.033 163 T CB 1.903 70.872 68.868 0.168 0.000 1.079 163 T HN 0.427 nan 8.240 nan 0.000 0.496 164 F N 1.926 122.065 119.950 0.315 0.000 2.547 164 F HA 0.504 5.032 4.527 0.001 0.000 0.316 164 F C -0.945 174.952 175.800 0.162 0.000 1.121 164 F CA -1.043 57.113 58.000 0.260 0.000 0.911 164 F CB 1.519 40.682 39.000 0.272 0.000 1.179 164 F HN 0.447 nan 8.300 nan 0.000 0.443 165 K N 4.646 124.653 120.400 -0.654 0.000 2.281 165 K HA 0.214 4.535 4.320 0.001 0.000 0.272 165 K C -0.951 175.172 176.600 -0.795 0.000 1.048 165 K CA -0.771 55.229 56.287 -0.479 0.000 0.898 165 K CB 1.349 33.698 32.500 -0.252 0.000 1.128 165 K HN 0.528 nan 8.250 nan 0.000 0.460 166 D N 5.840 126.109 120.400 -0.219 0.000 2.349 166 D HA 0.001 4.642 4.640 0.001 0.000 0.266 166 D C -1.188 175.100 176.300 -0.020 0.000 1.293 166 D CA -1.735 52.327 54.000 0.102 0.000 0.926 166 D CB 1.064 42.058 40.800 0.324 0.000 1.090 166 D HN 0.377 nan 8.370 nan 0.000 0.502 167 P HA -0.132 nan 4.420 nan 0.000 0.222 167 P C 1.008 178.313 177.300 0.007 0.000 1.147 167 P CA 0.766 63.839 63.100 -0.045 0.000 0.790 167 P CB 0.400 32.078 31.700 -0.037 0.000 0.780 168 E N 0.024 120.251 120.200 0.045 0.000 2.318 168 E HA -0.050 4.300 4.350 0.001 0.000 0.193 168 E C 1.416 178.047 176.600 0.052 0.000 0.998 168 E CA 1.389 57.820 56.400 0.051 0.000 0.859 168 E CB 0.261 30.003 29.700 0.069 0.000 0.812 168 E HN 0.293 nan 8.360 nan 0.000 0.492 169 T N -4.678 109.913 114.554 0.061 0.000 3.056 169 T HA 0.373 4.723 4.350 0.001 0.000 0.243 169 T C 1.519 176.246 174.700 0.045 0.000 0.995 169 T CA 0.776 62.912 62.100 0.061 0.000 1.091 169 T CB 0.947 69.866 68.868 0.086 0.000 0.990 169 T HN 0.216 nan 8.240 nan 0.000 0.464 170 G N 1.019 109.842 108.800 0.039 0.000 2.339 170 G HA2 -0.203 3.757 3.960 0.001 0.000 0.209 170 G HA3 -0.203 3.757 3.960 0.001 0.000 0.209 170 G C 0.109 175.033 174.900 0.040 0.000 1.015 170 G CA -0.238 44.877 45.100 0.026 0.000 0.635 170 G HN 0.803 nan 8.290 nan 0.000 0.499 171 V N 1.868 121.825 119.914 0.071 0.000 2.584 171 V HA 0.311 4.431 4.120 0.001 0.000 0.303 171 V C 0.684 176.855 176.094 0.128 0.000 1.035 171 V CA 1.040 63.398 62.300 0.097 0.000 1.172 171 V CB 1.167 33.061 31.823 0.118 0.000 0.896 171 V HN 0.498 nan 8.190 nan 0.000 0.486 172 E N 4.919 125.189 120.200 0.117 0.000 2.134 172 E HA 0.447 4.798 4.350 0.001 0.000 0.278 172 E C -0.932 175.790 176.600 0.202 0.000 0.959 172 E CA -0.607 55.883 56.400 0.150 0.000 0.783 172 E CB 0.885 30.644 29.700 0.099 0.000 1.095 172 E HN 0.513 nan 8.360 nan 0.000 0.399 173 I N 6.972 127.728 120.570 0.311 0.000 2.354 173 I HA 0.313 4.484 4.170 0.001 0.000 0.286 173 I C -2.315 174.038 176.117 0.394 0.000 1.007 173 I CA -2.922 58.577 61.300 0.330 0.000 1.167 173 I CB 0.868 39.078 38.000 0.350 0.000 1.320 173 I HN 0.363 nan 8.210 nan 0.000 0.458 174 P HA 0.341 nan 4.420 nan 0.000 0.274 174 P C -1.337 176.201 177.300 0.397 0.000 1.231 174 P CA 0.086 63.356 63.100 0.284 0.000 0.790 174 P CB 0.538 32.341 31.700 0.173 0.000 0.951 175 Y N -1.185 119.261 120.300 0.244 0.000 2.552 175 Y HA 0.695 5.245 4.550 0.001 0.000 0.337 175 Y C -1.107 174.962 175.900 0.282 0.000 1.094 175 Y CA -1.343 56.909 58.100 0.254 0.000 1.028 175 Y CB 1.250 39.850 38.460 0.234 0.000 1.321 175 Y HN 0.073 nan 8.280 nan 0.000 0.456 176 R N 2.844 123.580 120.500 0.394 0.000 2.514 176 R HA 0.696 5.036 4.340 0.001 0.000 0.301 176 R C -1.836 174.814 176.300 0.584 0.000 0.962 176 R CA -1.091 55.238 56.100 0.382 0.000 0.882 176 R CB 2.246 32.733 30.300 0.311 0.000 1.143 176 R HN 0.930 nan 8.270 nan 0.000 0.452 177 L N 2.862 124.396 121.223 0.519 0.000 2.409 177 L HA 0.514 4.855 4.340 0.001 0.000 0.272 177 L C -1.380 175.531 176.870 0.069 0.000 0.980 177 L CA -0.724 54.347 54.840 0.385 0.000 0.826 177 L CB 1.592 43.910 42.059 0.432 0.000 1.268 177 L HN 0.523 nan 8.230 nan 0.000 0.407 178 F N 5.529 125.230 119.950 -0.415 0.000 2.399 178 F HA 0.775 5.302 4.527 0.000 0.000 0.334 178 F C -0.950 174.609 175.800 -0.402 0.000 1.097 178 F CA -0.362 57.191 58.000 -0.746 0.000 1.076 178 F CB 1.505 39.721 39.000 -1.307 0.000 1.162 178 F HN 0.228 nan 8.300 nan 0.000 0.495 179 V N 7.297 126.512 119.914 -1.165 0.000 2.525 179 V HA 0.343 4.464 4.120 0.001 0.000 0.299 179 V C -2.073 173.311 176.094 -1.183 0.000 1.034 179 V CA -1.737 59.961 62.300 -1.003 0.000 0.863 179 V CB 1.595 33.120 31.823 -0.496 0.000 0.999 179 V HN 0.683 nan 8.190 nan 0.000 0.423 180 P HA 0.167 nan 4.420 nan 0.000 0.269 180 P C -1.085 175.913 177.300 -0.503 0.000 1.211 180 P CA -0.101 62.612 63.100 -0.644 0.000 0.781 180 P CB 0.481 31.759 31.700 -0.702 0.000 0.877 181 K N -0.531 119.670 120.400 -0.331 0.000 2.482 181 K HA 0.542 4.862 4.320 0.001 0.000 0.257 181 K C -0.876 175.631 176.600 -0.155 0.000 0.969 181 K CA -0.891 55.260 56.287 -0.226 0.000 0.842 181 K CB 0.426 32.810 32.500 -0.192 0.000 1.359 181 K HN 0.170 nan 8.250 nan 0.000 0.441 182 D N -0.712 119.624 120.400 -0.107 0.000 2.718 182 D HA -0.118 4.523 4.640 0.001 0.000 0.242 182 D C -1.354 174.905 176.300 -0.068 0.000 1.123 182 D CA 0.695 54.654 54.000 -0.068 0.000 0.690 182 D CB -1.044 39.723 40.800 -0.055 0.000 1.059 182 D HN 0.308 nan 8.370 nan 0.000 0.429 183 V N 1.012 120.885 119.914 -0.067 0.000 2.733 183 V HA 0.342 4.463 4.120 0.001 0.000 0.306 183 V C -0.331 175.808 176.094 0.074 0.000 1.084 183 V CA -1.060 61.205 62.300 -0.059 0.000 0.905 183 V CB 2.212 33.846 31.823 -0.316 0.000 1.010 183 V HN 0.340 nan 8.190 nan 0.000 0.424 184 N N 7.738 126.535 118.700 0.162 0.000 2.440 184 N HA 0.200 4.940 4.740 0.001 0.000 0.265 184 N C -1.778 173.859 175.510 0.212 0.000 1.239 184 N CA -0.894 52.247 53.050 0.152 0.000 0.909 184 N CB 1.478 40.034 38.487 0.115 0.000 1.066 184 N HN 0.334 nan 8.380 nan 0.000 0.474 185 P HA 0.060 nan 4.420 nan 0.000 0.245 185 P C -0.252 177.113 177.300 0.108 0.000 1.212 185 P CA 0.615 63.812 63.100 0.161 0.000 0.774 185 P CB 0.356 32.123 31.700 0.111 0.000 0.999 186 D N -0.845 119.596 120.400 0.068 0.000 2.354 186 D HA 0.053 4.693 4.640 0.001 0.000 0.209 186 D C 0.917 177.202 176.300 -0.025 0.000 1.015 186 D CA 0.391 54.404 54.000 0.021 0.000 0.867 186 D CB 0.328 41.138 40.800 0.017 0.000 0.933 186 D HN 0.236 nan 8.370 nan 0.000 0.520 187 R N 0.601 121.063 120.500 -0.064 0.000 2.553 187 R HA 0.506 4.847 4.340 0.001 0.000 0.263 187 R C 0.140 176.224 176.300 -0.360 0.000 1.066 187 R CA -0.450 55.507 56.100 -0.238 0.000 1.135 187 R CB 1.348 31.442 30.300 -0.343 0.000 1.148 187 R HN -0.218 nan 8.270 nan 0.000 0.558 188 K N 1.084 121.218 120.400 -0.443 0.000 2.270 188 K HA 0.348 4.669 4.320 0.001 0.000 0.255 188 K C -1.337 174.975 176.600 -0.481 0.000 0.936 188 K CA -0.493 55.597 56.287 -0.328 0.000 0.809 188 K CB 1.546 33.970 32.500 -0.127 0.000 1.131 188 K HN 0.352 nan 8.250 nan 0.000 0.427 189 Y N 1.130 121.529 120.300 0.165 0.000 2.567 189 Y HA 0.399 4.950 4.550 0.002 0.000 0.333 189 Y C -2.116 173.897 175.900 0.188 0.000 1.106 189 Y CA -2.633 55.575 58.100 0.180 0.000 1.157 189 Y CB 0.635 39.204 38.460 0.181 0.000 1.277 189 Y HN 0.463 nan 8.280 nan 0.000 0.490 190 P HA 0.259 nan 4.420 nan 0.000 0.277 190 P C -1.431 175.980 177.300 0.185 0.000 1.276 190 P CA -0.405 62.780 63.100 0.141 0.000 0.788 190 P CB 0.726 32.548 31.700 0.203 0.000 1.114 191 L N -0.508 120.705 121.223 -0.018 0.000 2.476 191 L HA 0.471 4.811 4.340 0.001 0.000 0.269 191 L C -1.577 175.261 176.870 -0.053 0.000 0.965 191 L CA -0.610 54.250 54.840 0.033 0.000 0.845 191 L CB 1.794 43.820 42.059 -0.055 0.000 1.259 191 L HN -0.038 nan 8.230 nan 0.000 0.403 192 V N 5.756 125.648 119.914 -0.037 0.000 2.333 192 V HA 0.418 4.539 4.120 0.001 0.000 0.274 192 V C 0.066 176.084 176.094 -0.126 0.000 1.028 192 V CA -0.358 61.810 62.300 -0.221 0.000 0.851 192 V CB 1.400 32.840 31.823 -0.639 0.000 1.000 192 V HN 0.652 nan 8.190 nan 0.000 0.456 193 V N 5.180 125.039 119.914 -0.091 0.000 2.439 193 V HA 0.649 4.769 4.120 0.001 0.000 0.282 193 V C -0.873 175.215 176.094 -0.011 0.000 1.039 193 V CA -0.333 61.942 62.300 -0.042 0.000 0.913 193 V CB 1.263 33.051 31.823 -0.058 0.000 0.983 193 V HN 0.620 nan 8.190 nan 0.000 0.460 194 F N 6.857 126.744 119.950 -0.105 0.000 2.426 194 F HA 0.684 5.212 4.527 0.001 0.000 0.348 194 F C -0.658 175.046 175.800 -0.160 0.000 1.124 194 F CA -1.414 56.535 58.000 -0.086 0.000 1.008 194 F CB 1.376 40.395 39.000 0.031 0.000 1.139 194 F HN 0.559 nan 8.300 nan 0.000 0.452 195 L N 7.300 127.940 121.223 -0.971 0.000 2.257 195 L HA 0.317 4.657 4.340 0.001 0.000 0.290 195 L C -0.165 175.978 176.870 -1.211 0.000 1.044 195 L CA -0.931 53.179 54.840 -1.216 0.000 0.810 195 L CB 0.640 41.955 42.059 -1.240 0.000 1.193 195 L HN 0.706 nan 8.230 nan 0.000 0.425 196 H N 1.248 119.927 119.070 -0.652 0.000 2.544 196 H HA 0.637 5.194 4.556 0.001 0.000 0.365 196 H C 0.405 175.805 175.328 0.120 0.000 1.268 196 H CA -0.500 55.356 56.048 -0.319 0.000 1.400 196 H CB 0.599 30.333 29.762 -0.048 0.000 1.538 196 H HN 0.525 nan 8.280 nan 0.000 0.597 197 G N -1.202 107.734 108.800 0.227 0.000 2.580 197 G HA2 0.367 4.327 3.960 0.001 0.000 0.278 197 G HA3 0.367 4.327 3.960 0.001 0.000 0.278 197 G C 0.924 175.998 174.900 0.290 0.000 1.212 197 G CA -0.566 44.656 45.100 0.205 0.000 0.939 197 G HN 0.957 nan 8.290 nan 0.000 0.513 198 A N -0.135 122.822 122.820 0.229 0.000 1.986 198 A HA -0.024 4.296 4.320 0.001 0.000 0.220 198 A C 2.571 180.245 177.584 0.150 0.000 1.171 198 A CA 2.434 54.531 52.037 0.099 0.000 0.640 198 A CB -0.990 17.993 19.000 -0.028 0.000 0.811 198 A HN 1.154 nan 8.150 nan 0.000 0.451 199 G N -0.971 107.983 108.800 0.257 0.000 2.470 199 G HA2 -0.104 3.857 3.960 0.001 0.000 0.220 199 G HA3 -0.104 3.857 3.960 0.001 0.000 0.220 199 G C 1.189 176.154 174.900 0.108 0.000 1.121 199 G CA 1.210 46.447 45.100 0.227 0.000 0.766 199 G HN 0.579 nan 8.290 nan 0.000 0.553 200 E N -0.385 119.853 120.200 0.063 0.000 2.476 200 E HA 0.194 4.545 4.350 0.001 0.000 0.199 200 E C 1.054 177.484 176.600 -0.283 0.000 1.021 200 E CA -0.405 55.903 56.400 -0.154 0.000 0.907 200 E CB 0.259 29.778 29.700 -0.301 0.000 0.974 200 E HN 0.273 nan 8.360 nan 0.000 0.489 201 R N 0.469 120.942 120.500 -0.046 0.000 2.619 201 R HA 0.283 4.624 4.340 0.001 0.000 0.268 201 R C 0.629 176.890 176.300 -0.065 0.000 0.990 201 R CA 1.174 57.269 56.100 -0.009 0.000 1.092 201 R CB 0.183 30.445 30.300 -0.063 0.000 0.935 201 R HN 0.258 nan 8.270 nan 0.000 0.415 202 G N -0.266 108.503 108.800 -0.051 0.000 2.398 202 G HA2 0.032 3.992 3.960 0.001 0.000 0.251 202 G HA3 0.032 3.992 3.960 0.001 0.000 0.251 202 G C -0.245 174.653 174.900 -0.005 0.000 1.277 202 G CA -0.002 45.078 45.100 -0.034 0.000 0.927 202 G HN 0.426 nan 8.290 nan 0.000 0.477 203 T N -0.090 114.468 114.554 0.007 0.000 3.177 203 T HA 0.139 4.489 4.350 0.001 0.000 0.267 203 T C 1.268 175.987 174.700 0.033 0.000 0.858 203 T CA 1.129 63.245 62.100 0.026 0.000 0.846 203 T CB -0.040 68.836 68.868 0.014 0.000 1.256 203 T HN 0.667 nan 8.240 nan 0.000 0.601 204 D N 1.186 121.601 120.400 0.026 0.000 2.347 204 D HA -0.003 4.638 4.640 0.001 0.000 0.215 204 D C 0.763 177.106 176.300 0.072 0.000 0.976 204 D CA 0.307 54.327 54.000 0.033 0.000 0.884 204 D CB -0.359 40.450 40.800 0.014 0.000 0.915 204 D HN 0.262 nan 8.370 nan 0.000 0.526 205 N N -0.849 117.898 118.700 0.077 0.000 2.740 205 N HA -0.286 4.455 4.740 0.001 0.000 0.248 205 N C -0.621 174.957 175.510 0.114 0.000 1.062 205 N CA 0.566 53.671 53.050 0.092 0.000 0.704 205 N CB -1.770 36.764 38.487 0.078 0.000 0.968 205 N HN 0.609 nan 8.380 nan 0.000 0.547 206 Y N -1.213 119.056 120.300 -0.051 0.000 2.856 206 Y HA 0.253 4.803 4.550 0.001 0.000 0.252 206 Y C 1.582 177.418 175.900 -0.107 0.000 1.145 206 Y CA 0.018 58.063 58.100 -0.090 0.000 1.204 206 Y CB -0.638 37.755 38.460 -0.112 0.000 1.403 206 Y HN 0.027 nan 8.280 nan 0.000 0.462 207 L N 2.039 123.327 121.223 0.108 0.000 2.034 207 L HA -0.339 4.001 4.340 0.001 0.000 0.217 207 L C 2.681 179.496 176.870 -0.093 0.000 1.077 207 L CA 2.682 57.523 54.840 0.001 0.000 0.769 207 L CB -1.093 40.931 42.059 -0.059 0.000 0.890 207 L HN 0.556 nan 8.230 nan 0.000 0.435 208 Q N -1.575 118.133 119.800 -0.154 0.000 2.234 208 Q HA -0.150 4.191 4.340 0.001 0.000 0.206 208 Q C 1.966 177.997 176.000 0.052 0.000 0.980 208 Q CA 1.953 57.694 55.803 -0.102 0.000 0.869 208 Q CB -0.737 27.997 28.738 -0.007 0.000 0.912 208 Q HN 0.422 nan 8.270 nan 0.000 0.436 209 V N 0.201 120.040 119.914 -0.124 0.000 3.590 209 V HA 0.205 4.325 4.120 0.001 0.000 0.265 209 V C 1.592 177.503 176.094 -0.306 0.000 1.239 209 V CA 1.040 63.175 62.300 -0.275 0.000 1.117 209 V CB 0.510 32.042 31.823 -0.486 0.000 0.818 209 V HN 0.500 nan 8.190 nan 0.000 0.451 210 A N -1.051 121.648 122.820 -0.203 0.000 2.312 210 A HA 0.390 4.711 4.320 0.001 0.000 0.215 210 A C 2.068 179.642 177.584 -0.016 0.000 1.256 210 A CA 0.806 52.769 52.037 -0.124 0.000 0.966 210 A CB -0.156 18.813 19.000 -0.052 0.000 1.053 210 A HN 0.426 nan 8.150 nan 0.000 0.510 211 G N 1.360 110.164 108.800 0.007 0.000 2.440 211 G HA2 -0.095 3.865 3.960 0.001 0.000 0.218 211 G HA3 -0.095 3.865 3.960 0.001 0.000 0.218 211 G C 0.596 175.572 174.900 0.128 0.000 1.154 211 G CA 1.110 46.254 45.100 0.073 0.000 0.767 211 G HN 0.807 nan 8.290 nan 0.000 0.552 212 N N -2.932 115.806 118.700 0.064 0.000 3.308 212 N HA 0.203 4.944 4.740 0.001 0.000 0.276 212 N C -0.287 175.165 175.510 -0.097 0.000 1.533 212 N CA -0.932 52.173 53.050 0.092 0.000 0.878 212 N CB 0.632 39.222 38.487 0.172 0.000 1.566 212 N HN -0.146 nan 8.380 nan 0.000 0.546 213 R N -0.297 120.129 120.500 -0.124 0.000 2.325 213 R HA 0.073 4.413 4.340 0.001 0.000 0.214 213 R C 1.631 177.463 176.300 -0.780 0.000 0.961 213 R CA 0.527 56.425 56.100 -0.337 0.000 1.086 213 R CB -0.430 29.732 30.300 -0.230 0.000 1.037 213 R HN 0.740 nan 8.270 nan 0.000 0.493 214 G N 0.694 108.878 108.800 -1.028 0.000 2.475 214 G HA2 -0.296 3.665 3.960 0.001 0.000 0.220 214 G HA3 -0.296 3.665 3.960 0.001 0.000 0.220 214 G C 1.269 175.265 174.900 -1.505 0.000 1.125 214 G CA 1.077 44.999 45.100 -1.962 0.000 0.755 214 G HN 0.411 nan 8.290 nan 0.000 0.565 215 A N -0.896 121.434 122.820 -0.818 0.000 1.984 215 A HA 0.478 4.798 4.320 0.001 0.000 0.203 215 A C 2.340 179.928 177.584 0.006 0.000 1.292 215 A CA 0.904 52.866 52.037 -0.126 0.000 0.782 215 A CB -0.089 18.926 19.000 0.024 0.000 0.924 215 A HN 0.150 nan 8.150 nan 0.000 0.475 216 V N -0.229 119.526 119.914 -0.266 0.000 2.548 216 V HA -0.170 3.950 4.120 0.001 0.000 0.249 216 V C 2.480 178.452 176.094 -0.204 0.000 1.055 216 V CA 1.798 63.981 62.300 -0.194 0.000 1.065 216 V CB 0.112 31.753 31.823 -0.305 0.000 0.681 216 V HN 0.382 nan 8.190 nan 0.000 0.462 217 V N -0.498 119.159 119.914 -0.428 0.000 2.324 217 V HA -0.306 3.814 4.120 0.001 0.000 0.250 217 V C 1.961 177.876 176.094 -0.298 0.000 1.060 217 V CA 2.540 64.556 62.300 -0.473 0.000 1.042 217 V CB -0.437 30.906 31.823 -0.800 0.000 0.650 217 V HN 0.789 nan 8.190 nan 0.000 0.450 218 W N -0.467 120.786 121.300 -0.079 0.000 2.699 218 W HA 0.257 4.918 4.660 0.001 0.000 0.249 218 W C 2.161 178.612 176.519 -0.113 0.000 1.280 218 W CA 0.579 57.919 57.345 -0.009 0.000 1.345 218 W CB -0.295 29.164 29.460 -0.002 0.000 1.128 218 W HN 0.313 nan 8.180 nan 0.000 0.642 219 A N -0.574 122.183 122.820 -0.106 0.000 2.303 219 A HA 0.118 4.438 4.320 0.001 0.000 0.217 219 A C 0.865 178.257 177.584 -0.319 0.000 1.205 219 A CA -0.262 51.409 52.037 -0.610 0.000 0.875 219 A CB -0.262 18.138 19.000 -1.000 0.000 0.910 219 A HN 0.167 nan 8.150 nan 0.000 0.501 220 Q N 0.479 120.208 119.800 -0.117 0.000 2.286 220 Q HA 0.064 4.405 4.340 0.001 0.000 0.290 220 Q C -1.575 174.373 176.000 -0.087 0.000 1.049 220 Q CA -1.325 54.421 55.803 -0.095 0.000 0.923 220 Q CB 0.670 29.348 28.738 -0.100 0.000 1.183 220 Q HN 0.151 nan 8.270 nan 0.000 0.383 221 P HA -0.338 nan 4.420 nan 0.000 0.219 221 P C 0.803 178.027 177.300 -0.127 0.000 1.161 221 P CA 1.955 65.009 63.100 -0.076 0.000 0.909 221 P CB 0.004 31.662 31.700 -0.070 0.000 0.793 222 R N -2.068 118.297 120.500 -0.225 0.000 2.185 222 R HA -0.216 4.125 4.340 0.001 0.000 0.247 222 R C 1.543 177.633 176.300 -0.350 0.000 1.159 222 R CA 1.885 57.775 56.100 -0.349 0.000 0.988 222 R CB -1.336 28.636 30.300 -0.547 0.000 0.871 222 R HN 0.256 nan 8.270 nan 0.000 0.458 223 Y N 0.203 120.482 120.300 -0.035 0.000 2.500 223 Y HA 0.182 4.733 4.550 0.001 0.000 0.284 223 Y C 2.522 178.383 175.900 -0.064 0.000 1.118 223 Y CA -0.022 58.080 58.100 0.003 0.000 1.241 223 Y CB -0.188 38.334 38.460 0.104 0.000 1.171 223 Y HN -0.082 nan 8.280 nan 0.000 0.540 224 Q N 0.002 119.843 119.800 0.069 0.000 2.135 224 Q HA -0.153 4.188 4.340 0.001 0.000 0.204 224 Q C 2.447 178.411 176.000 -0.061 0.000 0.981 224 Q CA 1.239 57.048 55.803 0.009 0.000 0.856 224 Q CB -0.750 28.006 28.738 0.030 0.000 0.902 224 Q HN 0.351 nan 8.270 nan 0.000 0.425 225 V N 0.934 120.803 119.914 -0.076 0.000 2.720 225 V HA -0.155 3.965 4.120 0.001 0.000 0.256 225 V C 2.067 178.070 176.094 -0.152 0.000 1.082 225 V CA 1.664 63.905 62.300 -0.098 0.000 1.101 225 V CB 0.011 31.780 31.823 -0.090 0.000 0.693 225 V HN 0.359 nan 8.190 nan 0.000 0.479 226 V N -3.235 116.528 119.914 -0.251 0.000 3.572 226 V HA 0.353 4.473 4.120 0.001 0.000 0.260 226 V C 0.493 176.083 176.094 -0.841 0.000 1.324 226 V CA 0.210 62.211 62.300 -0.498 0.000 1.068 226 V CB -0.208 31.272 31.823 -0.572 0.000 0.837 226 V HN 0.670 nan 8.190 nan 0.000 0.450 227 H N 2.348 121.294 119.070 -0.206 0.000 2.808 227 H HA 0.574 5.131 4.556 0.000 0.000 0.268 227 H C -3.028 172.141 175.328 -0.265 0.000 1.306 227 H CA -1.626 54.185 56.048 -0.395 0.000 1.565 227 H CB 1.234 30.275 29.762 -1.202 0.000 1.632 227 H HN 0.275 nan 8.280 nan 0.000 0.525 228 P HA 0.237 nan 4.420 nan 0.000 0.274 228 P C -0.199 177.146 177.300 0.074 0.000 1.246 228 P CA -0.282 62.768 63.100 -0.083 0.000 0.795 228 P CB 1.589 33.082 31.700 -0.345 0.000 1.006 229 C N 2.076 121.396 119.300 0.034 0.000 3.120 229 C HA 0.311 4.771 4.460 0.001 0.000 0.439 229 C C -1.428 173.627 174.990 0.108 0.000 0.917 229 C CA -0.881 58.280 59.018 0.237 0.000 1.182 229 C CB -1.592 26.366 27.740 0.362 0.000 1.651 229 C HN 0.370 nan 8.230 nan 0.000 0.625 230 F N 4.085 124.111 119.950 0.127 0.000 2.382 230 F HA 0.658 5.185 4.527 0.000 0.000 0.331 230 F C 0.819 176.680 175.800 0.101 0.000 1.121 230 F CA -0.051 57.992 58.000 0.071 0.000 1.183 230 F CB 1.292 40.252 39.000 -0.067 0.000 1.207 230 F HN 0.547 nan 8.300 nan 0.000 0.555 231 V N 3.602 123.684 119.914 0.281 0.000 2.540 231 V HA 0.498 4.618 4.120 0.001 0.000 0.302 231 V C -0.914 175.337 176.094 0.262 0.000 1.035 231 V CA -0.826 61.609 62.300 0.225 0.000 0.873 231 V CB 1.717 33.694 31.823 0.257 0.000 0.992 231 V HN 0.568 nan 8.190 nan 0.000 0.428 232 L N 3.831 125.188 121.223 0.224 0.000 2.341 232 L HA 0.970 5.311 4.340 0.001 0.000 0.278 232 L C -0.019 177.017 176.870 0.276 0.000 1.005 232 L CA -0.339 54.644 54.840 0.239 0.000 0.818 232 L CB 1.733 43.836 42.059 0.073 0.000 1.259 232 L HN 0.791 nan 8.230 nan 0.000 0.418 233 A N 6.250 129.288 122.820 0.363 0.000 2.893 233 A HA 0.681 5.001 4.320 0.001 0.000 0.333 233 A C -2.770 175.026 177.584 0.353 0.000 1.152 233 A CA -1.214 51.034 52.037 0.351 0.000 0.782 233 A CB -0.143 19.093 19.000 0.393 0.000 1.108 233 A HN 0.568 nan 8.150 nan 0.000 0.469 234 P HA 0.184 nan 4.420 nan 0.000 0.274 234 P C -0.653 177.024 177.300 0.628 0.000 1.231 234 P CA 0.008 63.346 63.100 0.397 0.000 0.790 234 P CB 0.931 32.769 31.700 0.230 0.000 0.951 235 Q N 1.693 121.830 119.800 0.562 0.000 2.316 235 Q HA 0.510 4.850 4.340 0.001 0.000 0.264 235 Q C -1.261 174.942 176.000 0.338 0.000 0.987 235 Q CA -0.741 55.371 55.803 0.515 0.000 0.852 235 Q CB 1.071 29.945 28.738 0.227 0.000 1.287 235 Q HN 0.640 nan 8.270 nan 0.000 0.448 236 C N 4.809 124.180 119.300 0.119 0.000 2.456 236 C HA 0.864 5.325 4.460 0.001 0.000 0.325 236 C C -2.755 172.099 174.990 -0.227 0.000 1.217 236 C CA -2.036 56.767 59.018 -0.359 0.000 1.687 236 C CB 1.722 28.562 27.740 -1.500 0.000 2.270 236 C HN 0.754 nan 8.230 nan 0.000 0.499 237 P HA 0.407 nan 4.420 nan 0.000 0.305 237 P C -2.297 174.955 177.300 -0.079 0.000 1.387 237 P CA -1.316 61.744 63.100 -0.066 0.000 0.903 237 P CB 1.657 33.347 31.700 -0.016 0.000 0.979 238 P HA -0.296 nan 4.420 nan 0.000 0.233 238 P C 0.994 178.227 177.300 -0.112 0.000 1.100 238 P CA 1.980 65.029 63.100 -0.085 0.000 1.009 238 P CB -0.402 31.266 31.700 -0.053 0.000 0.759 239 N N -1.977 116.675 118.700 -0.081 0.000 2.515 239 N HA 0.058 4.799 4.740 0.001 0.000 0.191 239 N C 0.675 176.137 175.510 -0.080 0.000 1.182 239 N CA 0.130 53.134 53.050 -0.077 0.000 0.879 239 N CB 0.056 38.519 38.487 -0.040 0.000 0.984 239 N HN 0.115 nan 8.380 nan 0.000 0.453 240 S N -1.589 114.047 115.700 -0.107 0.000 2.993 240 S HA 0.764 5.235 4.470 0.001 0.000 0.281 240 S C -0.900 173.629 174.600 -0.119 0.000 1.033 240 S CA -0.461 57.691 58.200 -0.080 0.000 0.950 240 S CB 0.703 63.865 63.200 -0.063 0.000 1.349 240 S HN 0.188 nan 8.310 nan 0.000 0.652 241 S N -1.365 114.271 115.700 -0.106 0.000 2.611 241 S HA 0.400 4.871 4.470 0.001 0.000 0.268 241 S C -0.309 174.219 174.600 -0.120 0.000 1.156 241 S CA -0.813 57.302 58.200 -0.141 0.000 0.817 241 S CB -0.157 63.139 63.200 0.161 0.000 1.122 241 S HN 0.788 nan 8.310 nan 0.000 0.466 242 W N 2.216 123.534 121.300 0.031 0.000 2.381 242 W HA 0.066 4.727 4.660 0.002 0.000 0.321 242 W C 1.938 178.490 176.519 0.055 0.000 1.196 242 W CA 1.008 58.362 57.345 0.015 0.000 1.304 242 W CB -0.681 28.763 29.460 -0.027 0.000 1.166 242 W HN 0.865 nan 8.180 nan 0.000 0.473 243 S N 0.095 115.979 115.700 0.307 0.000 2.661 243 S HA 0.117 4.588 4.470 0.001 0.000 0.265 243 S C 0.917 175.564 174.600 0.078 0.000 1.225 243 S CA -0.008 58.306 58.200 0.190 0.000 0.986 243 S CB 0.852 64.172 63.200 0.201 0.000 1.008 243 S HN 0.208 nan 8.310 nan 0.000 0.565 244 T N -0.430 114.137 114.554 0.021 0.000 3.565 244 T HA 0.108 4.459 4.350 0.001 0.000 0.248 244 T C 1.224 175.822 174.700 -0.170 0.000 1.033 244 T CA -0.015 62.058 62.100 -0.044 0.000 0.952 244 T CB -0.726 68.119 68.868 -0.038 0.000 1.072 244 T HN 0.504 nan 8.240 nan 0.000 0.609 245 L N 0.905 121.976 121.223 -0.253 0.000 1.944 245 L HA 0.075 4.416 4.340 0.001 0.000 0.218 245 L C 1.592 178.143 176.870 -0.533 0.000 1.075 245 L CA 1.891 56.394 54.840 -0.563 0.000 0.767 245 L CB -0.792 40.778 42.059 -0.815 0.000 0.890 245 L HN 0.408 nan 8.230 nan 0.000 0.434 246 F N -0.903 118.918 119.950 -0.214 0.000 2.769 246 F HA 0.071 4.599 4.527 0.001 0.000 0.304 246 F C 1.433 177.163 175.800 -0.116 0.000 1.158 246 F CA 0.644 58.544 58.000 -0.167 0.000 1.398 246 F CB -0.597 38.308 39.000 -0.158 0.000 1.094 246 F HN 0.321 nan 8.300 nan 0.000 0.553 247 T N -5.167 109.390 114.554 0.004 0.000 3.058 247 T HA 0.194 4.545 4.350 0.001 0.000 0.278 247 T C -0.287 174.395 174.700 -0.029 0.000 0.974 247 T CA -0.208 61.896 62.100 0.007 0.000 0.893 247 T CB 0.256 69.132 68.868 0.014 0.000 1.138 247 T HN -0.007 nan 8.240 nan 0.000 0.529 248 D N 1.139 121.494 120.400 -0.076 0.000 2.362 248 D HA 0.212 4.853 4.640 0.001 0.000 0.232 248 D C -0.088 176.136 176.300 -0.126 0.000 1.329 248 D CA -0.367 53.584 54.000 -0.083 0.000 0.944 248 D CB 1.153 41.907 40.800 -0.076 0.000 1.471 248 D HN 0.052 nan 8.370 nan 0.000 0.533 249 R N 2.249 122.691 120.500 -0.097 0.000 4.218 249 R HA 0.089 4.430 4.340 0.001 0.000 0.208 249 R C 0.685 176.934 176.300 -0.084 0.000 2.100 249 R CA 0.670 56.709 56.100 -0.103 0.000 1.727 249 R CB -0.111 30.150 30.300 -0.065 0.000 1.186 249 R HN 0.336 nan 8.270 nan 0.000 0.645 250 E N -0.063 120.079 120.200 -0.097 0.000 3.100 250 E HA 0.051 4.402 4.350 0.001 0.000 0.191 250 E C -0.825 175.725 176.600 -0.084 0.000 1.097 250 E CA 0.559 56.921 56.400 -0.064 0.000 1.339 250 E CB 0.380 30.056 29.700 -0.039 0.000 1.330 250 E HN 0.551 nan 8.360 nan 0.000 0.511 251 N N 0.360 118.986 118.700 -0.122 0.000 2.425 251 N HA 0.279 5.019 4.740 0.001 0.000 0.289 251 N C -2.535 172.745 175.510 -0.382 0.000 1.074 251 N CA -1.148 51.771 53.050 -0.217 0.000 0.905 251 N CB 2.752 41.244 38.487 0.009 0.000 1.586 251 N HN -0.231 nan 8.380 nan 0.000 0.490 252 P HA 0.104 nan 4.420 nan 0.000 0.249 252 P C -0.158 176.836 177.300 -0.509 0.000 1.229 252 P CA 0.228 62.904 63.100 -0.707 0.000 0.788 252 P CB -0.143 31.019 31.700 -0.897 0.000 1.072 253 F N -1.013 118.960 119.950 0.037 0.000 2.754 253 F HA 0.163 4.691 4.527 0.001 0.000 0.297 253 F C 1.260 177.113 175.800 0.089 0.000 1.122 253 F CA -0.442 57.618 58.000 0.100 0.000 1.400 253 F CB -0.970 38.080 39.000 0.083 0.000 1.117 253 F HN -0.160 nan 8.300 nan 0.000 0.587 254 N N 3.220 122.016 118.700 0.161 0.000 2.503 254 N HA 0.111 4.852 4.740 0.001 0.000 0.267 254 N C -2.526 173.063 175.510 0.132 0.000 1.214 254 N CA -1.174 51.954 53.050 0.131 0.000 0.959 254 N CB 0.336 38.871 38.487 0.081 0.000 1.142 254 N HN -0.143 nan 8.380 nan 0.000 0.455 255 P HA 0.090 nan 4.420 nan 0.000 0.270 255 P C -0.333 177.052 177.300 0.142 0.000 1.242 255 P CA 0.209 63.408 63.100 0.165 0.000 0.768 255 P CB 0.601 32.404 31.700 0.171 0.000 0.820 256 E N 3.087 123.380 120.200 0.154 0.000 2.280 256 E HA 0.148 4.498 4.350 0.001 0.000 0.264 256 E C 1.266 177.953 176.600 0.145 0.000 1.064 256 E CA -0.536 55.939 56.400 0.125 0.000 0.900 256 E CB 0.696 30.456 29.700 0.100 0.000 1.123 256 E HN 0.146 nan 8.360 nan 0.000 0.418 257 K N 1.960 122.429 120.400 0.115 0.000 2.052 257 K HA -0.189 4.131 4.320 0.001 0.000 0.215 257 K C -1.029 175.665 176.600 0.156 0.000 1.053 257 K CA 2.208 58.569 56.287 0.123 0.000 0.934 257 K CB -1.032 31.526 32.500 0.097 0.000 0.717 257 K HN 0.430 nan 8.250 nan 0.000 0.450 258 P HA -0.186 nan 4.420 nan 0.000 0.215 258 P C 1.419 178.919 177.300 0.332 0.000 1.153 258 P CA 1.091 64.325 63.100 0.223 0.000 0.853 258 P CB 0.046 31.817 31.700 0.118 0.000 0.788 259 L N -1.343 120.087 121.223 0.345 0.000 2.056 259 L HA -0.154 4.186 4.340 0.001 0.000 0.207 259 L C 2.211 179.182 176.870 0.169 0.000 1.078 259 L CA 1.480 56.495 54.840 0.291 0.000 0.749 259 L CB -0.582 41.651 42.059 0.289 0.000 0.901 259 L HN -0.059 nan 8.230 nan 0.000 0.433 260 L N -0.413 120.920 121.223 0.185 0.000 2.027 260 L HA -0.173 4.168 4.340 0.001 0.000 0.206 260 L C 2.873 179.784 176.870 0.069 0.000 1.074 260 L CA 1.215 56.147 54.840 0.153 0.000 0.745 260 L CB -0.907 41.261 42.059 0.182 0.000 0.898 260 L HN 0.273 nan 8.230 nan 0.000 0.433 261 A N -0.062 122.824 122.820 0.110 0.000 1.915 261 A HA -0.232 4.088 4.320 0.001 0.000 0.220 261 A C 2.354 179.853 177.584 -0.143 0.000 1.198 261 A CA 2.460 54.549 52.037 0.086 0.000 0.647 261 A CB -1.131 17.991 19.000 0.203 0.000 0.825 261 A HN 0.227 nan 8.150 nan 0.000 0.456 262 V N 0.448 120.304 119.914 -0.096 0.000 2.427 262 V HA -0.234 3.886 4.120 0.001 0.000 0.248 262 V C 2.417 178.329 176.094 -0.304 0.000 1.051 262 V CA 1.619 63.791 62.300 -0.215 0.000 1.048 262 V CB -0.664 31.073 31.823 -0.144 0.000 0.666 262 V HN 0.534 nan 8.190 nan 0.000 0.456 263 I N 0.289 120.695 120.570 -0.274 0.000 2.226 263 I HA -0.239 3.931 4.170 0.001 0.000 0.245 263 I C 2.423 178.315 176.117 -0.375 0.000 1.100 263 I CA 1.772 62.834 61.300 -0.396 0.000 1.374 263 I CB -1.031 36.589 38.000 -0.632 0.000 1.057 263 I HN 0.394 nan 8.210 nan 0.000 0.413 264 K N 0.714 120.923 120.400 -0.319 0.000 2.097 264 K HA -0.146 4.174 4.320 0.001 0.000 0.206 264 K C 2.080 178.402 176.600 -0.463 0.000 1.049 264 K CA 1.341 57.450 56.287 -0.296 0.000 0.933 264 K CB -0.231 32.180 32.500 -0.148 0.000 0.717 264 K HN 0.415 nan 8.250 nan 0.000 0.442 265 I N -0.141 120.011 120.570 -0.696 0.000 2.761 265 I HA -0.140 4.031 4.170 0.001 0.000 0.261 265 I C 1.731 177.558 176.117 -0.482 0.000 1.198 265 I CA 0.965 61.816 61.300 -0.748 0.000 1.482 265 I CB 0.041 37.404 38.000 -1.062 0.000 1.100 265 I HN 0.080 nan 8.210 nan 0.000 0.445 266 I N 1.369 121.700 120.570 -0.399 0.000 2.202 266 I HA -0.248 3.922 4.170 0.001 0.000 0.242 266 I C 2.792 178.740 176.117 -0.281 0.000 1.091 266 I CA 1.240 62.349 61.300 -0.319 0.000 1.368 266 I CB -0.403 37.408 38.000 -0.316 0.000 1.058 266 I HN 0.180 nan 8.210 nan 0.000 0.410 267 R N 0.673 121.009 120.500 -0.274 0.000 2.091 267 R HA -0.241 4.099 4.340 0.001 0.000 0.238 267 R C 2.295 178.495 176.300 -0.166 0.000 1.136 267 R CA 1.444 57.421 56.100 -0.206 0.000 0.959 267 R CB -0.525 29.670 30.300 -0.174 0.000 0.856 267 R HN 0.361 nan 8.270 nan 0.000 0.437 268 K N 0.630 120.925 120.400 -0.174 0.000 2.103 268 K HA -0.160 4.160 4.320 0.001 0.000 0.207 268 K C 1.949 178.483 176.600 -0.110 0.000 1.048 268 K CA 1.075 57.295 56.287 -0.112 0.000 0.930 268 K CB 0.055 32.510 32.500 -0.075 0.000 0.716 268 K HN -0.012 nan 8.250 nan 0.000 0.444 269 L N 1.360 122.494 121.223 -0.147 0.000 2.056 269 L HA -0.103 4.237 4.340 0.001 0.000 0.207 269 L C 2.177 178.983 176.870 -0.107 0.000 1.078 269 L CA 1.358 56.143 54.840 -0.092 0.000 0.749 269 L CB -0.936 41.000 42.059 -0.205 0.000 0.901 269 L HN 0.252 nan 8.230 nan 0.000 0.433 270 L N -0.574 120.551 121.223 -0.163 0.000 2.013 270 L HA -0.282 4.059 4.340 0.001 0.000 0.212 270 L C 2.211 179.011 176.870 -0.116 0.000 1.073 270 L CA 1.456 56.204 54.840 -0.154 0.000 0.753 270 L CB -0.744 41.220 42.059 -0.159 0.000 0.890 270 L HN 0.280 nan 8.230 nan 0.000 0.432 271 D N -0.100 120.234 120.400 -0.110 0.000 2.144 271 D HA -0.157 4.484 4.640 0.001 0.000 0.199 271 D C 2.017 178.240 176.300 -0.128 0.000 0.984 271 D CA 1.207 55.145 54.000 -0.103 0.000 0.834 271 D CB -0.016 40.729 40.800 -0.091 0.000 0.955 271 D HN 0.481 nan 8.370 nan 0.000 0.465 272 E N -1.499 118.599 120.200 -0.170 0.000 2.415 272 E HA 0.041 4.391 4.350 0.001 0.000 0.197 272 E C -0.196 176.138 176.600 -0.444 0.000 1.007 272 E CA 0.190 56.381 56.400 -0.348 0.000 0.890 272 E CB 0.604 29.985 29.700 -0.532 0.000 0.891 272 E HN 0.256 nan 8.360 nan 0.000 0.496 273 Y N 0.763 120.973 120.300 -0.149 0.000 2.562 273 Y HA 0.138 4.689 4.550 0.001 0.000 0.345 273 Y C -0.197 175.625 175.900 -0.130 0.000 1.045 273 Y CA -1.873 56.135 58.100 -0.152 0.000 1.028 273 Y CB 0.985 39.193 38.460 -0.419 0.000 1.297 273 Y HN -0.083 nan 8.280 nan 0.000 0.463 274 N N 2.278 121.111 118.700 0.222 0.000 3.027 274 N HA 0.078 4.818 4.740 0.001 0.000 0.309 274 N C -0.818 174.786 175.510 0.158 0.000 1.222 274 N CA 0.558 53.709 53.050 0.169 0.000 1.187 274 N CB -0.406 38.212 38.487 0.219 0.000 1.458 274 N HN 0.563 nan 8.380 nan 0.000 0.535 275 I N 0.527 121.080 120.570 -0.028 0.000 2.354 275 I HA 0.050 4.221 4.170 0.001 0.000 0.292 275 I C 0.054 176.128 176.117 -0.071 0.000 0.989 275 I CA -0.918 60.324 61.300 -0.097 0.000 1.188 275 I CB 1.285 39.097 38.000 -0.313 0.000 1.342 275 I HN 0.149 nan 8.210 nan 0.000 0.457 276 D N 6.172 126.549 120.400 -0.040 0.000 2.344 276 D HA 0.032 4.673 4.640 0.001 0.000 0.253 276 D C 0.858 177.087 176.300 -0.119 0.000 1.255 276 D CA -0.054 53.901 54.000 -0.076 0.000 0.894 276 D CB 1.000 41.763 40.800 -0.062 0.000 1.067 276 D HN 0.404 nan 8.370 nan 0.000 0.492 277 E N 2.444 122.570 120.200 -0.123 0.000 2.396 277 E HA -0.151 4.200 4.350 0.001 0.000 0.200 277 E C 0.937 177.443 176.600 -0.156 0.000 1.023 277 E CA 0.879 57.189 56.400 -0.149 0.000 0.857 277 E CB -0.321 29.300 29.700 -0.131 0.000 0.775 277 E HN 0.582 nan 8.360 nan 0.000 0.525 278 N N 0.211 118.831 118.700 -0.134 0.000 2.422 278 N HA 0.066 4.806 4.740 0.001 0.000 0.181 278 N C 0.112 175.520 175.510 -0.169 0.000 1.080 278 N CA 0.151 53.128 53.050 -0.121 0.000 0.893 278 N CB 0.357 38.796 38.487 -0.080 0.000 0.973 278 N HN -0.060 nan 8.380 nan 0.000 0.456 279 R N 0.934 121.277 120.500 -0.263 0.000 2.701 279 R HA 0.287 4.628 4.340 0.001 0.000 0.281 279 R C -1.034 174.807 176.300 -0.765 0.000 1.367 279 R CA -0.180 55.599 56.100 -0.535 0.000 1.510 279 R CB 0.531 30.605 30.300 -0.377 0.000 1.306 279 R HN 0.106 nan 8.270 nan 0.000 0.682 280 I N 2.266 122.538 120.570 -0.497 0.000 2.281 280 I HA 0.210 4.381 4.170 0.001 0.000 0.293 280 I C -0.428 175.580 176.117 -0.182 0.000 1.085 280 I CA -0.593 60.502 61.300 -0.342 0.000 1.257 280 I CB 0.113 37.980 38.000 -0.222 0.000 1.430 280 I HN 0.072 nan 8.210 nan 0.000 0.489 281 Y N 6.445 126.704 120.300 -0.068 0.000 2.320 281 Y HA 0.567 5.117 4.550 0.000 0.000 0.324 281 Y C 0.140 175.936 175.900 -0.174 0.000 1.190 281 Y CA -1.059 56.944 58.100 -0.162 0.000 1.215 281 Y CB 1.034 39.263 38.460 -0.385 0.000 1.221 281 Y HN 0.410 nan 8.280 nan 0.000 0.486 282 I N 1.413 121.930 120.570 -0.089 0.000 2.608 282 I HA 0.658 4.829 4.170 0.001 0.000 0.295 282 I C -0.811 175.188 176.117 -0.196 0.000 1.049 282 I CA -0.148 60.992 61.300 -0.266 0.000 1.063 282 I CB 2.086 39.661 38.000 -0.709 0.000 1.248 282 I HN 0.711 nan 8.210 nan 0.000 0.424 283 T N 3.938 118.432 114.554 -0.101 0.000 2.853 283 T HA 0.853 5.204 4.350 0.001 0.000 0.311 283 T C -0.980 173.817 174.700 0.162 0.000 1.307 283 T CA -0.152 61.985 62.100 0.063 0.000 1.019 283 T CB 1.664 70.691 68.868 0.265 0.000 1.264 283 T HN 1.077 nan 8.240 nan 0.000 0.497 284 G N 2.104 111.011 108.800 0.177 0.000 2.489 284 G HA2 0.531 4.491 3.960 0.001 0.000 0.291 284 G HA3 0.531 4.491 3.960 0.001 0.000 0.291 284 G C -1.833 173.159 174.900 0.154 0.000 1.487 284 G CA -0.697 44.491 45.100 0.147 0.000 0.795 284 G HN 0.958 nan 8.290 nan 0.000 0.513 285 L N -0.569 120.737 121.223 0.139 0.000 2.330 285 L HA 0.875 5.215 4.340 0.001 0.000 0.271 285 L C 0.920 177.857 176.870 0.112 0.000 1.013 285 L CA -0.103 54.794 54.840 0.094 0.000 0.816 285 L CB 0.757 42.758 42.059 -0.098 0.000 1.287 285 L HN 1.236 nan 8.230 nan 0.000 0.435 286 S N 1.313 117.138 115.700 0.207 0.000 3.927 286 S HA -0.382 4.089 4.470 0.001 0.000 0.618 286 S C 1.317 176.169 174.600 0.420 0.000 2.201 286 S CA 1.758 60.175 58.200 0.362 0.000 4.160 286 S CB -0.887 62.569 63.200 0.427 0.000 0.266 286 S HN 0.992 nan 8.310 nan 0.000 0.760 287 M N 0.972 120.810 119.600 0.397 0.000 2.128 287 M HA -0.195 4.286 4.480 0.001 0.000 0.253 287 M C 1.936 178.522 176.300 0.476 0.000 1.079 287 M CA 2.679 58.208 55.300 0.382 0.000 1.082 287 M CB -1.141 31.651 32.600 0.320 0.000 1.335 287 M HN 0.742 nan 8.290 nan 0.000 0.401 288 G N -1.660 107.357 108.800 0.362 0.000 2.509 288 G HA2 -0.010 3.950 3.960 0.001 0.000 0.218 288 G HA3 -0.010 3.950 3.960 0.001 0.000 0.218 288 G C 1.179 176.104 174.900 0.043 0.000 1.124 288 G CA 0.798 45.984 45.100 0.144 0.000 0.776 288 G HN 0.632 nan 8.290 nan 0.000 0.547 289 G N -0.139 108.758 108.800 0.163 0.000 2.564 289 G HA2 0.012 3.972 3.960 0.001 0.000 0.212 289 G HA3 0.012 3.972 3.960 0.001 0.000 0.212 289 G C 1.380 176.385 174.900 0.175 0.000 1.199 289 G CA 0.401 45.560 45.100 0.098 0.000 0.832 289 G HN 0.278 nan 8.290 nan 0.000 0.565 290 Y N 1.495 121.964 120.300 0.282 0.000 2.108 290 Y HA -0.292 4.259 4.550 0.001 0.000 0.274 290 Y C 2.990 179.057 175.900 0.278 0.000 1.229 290 Y CA 1.649 59.947 58.100 0.331 0.000 1.129 290 Y CB -0.602 37.990 38.460 0.220 0.000 0.946 290 Y HN 0.229 nan 8.280 nan 0.000 0.509 291 G N -1.824 107.186 108.800 0.351 0.000 2.402 291 G HA2 -0.215 3.745 3.960 0.001 0.000 0.216 291 G HA3 -0.215 3.745 3.960 0.001 0.000 0.216 291 G C 1.711 176.628 174.900 0.027 0.000 1.162 291 G CA 1.423 46.644 45.100 0.202 0.000 0.777 291 G HN 0.378 nan 8.290 nan 0.000 0.539 292 T N 0.380 114.878 114.554 -0.093 0.000 2.635 292 T HA -0.214 4.136 4.350 0.001 0.000 0.267 292 T C 1.987 176.608 174.700 -0.132 0.000 1.040 292 T CA 1.514 63.473 62.100 -0.235 0.000 1.156 292 T CB -0.409 68.260 68.868 -0.332 0.000 0.863 292 T HN 0.539 nan 8.240 nan 0.000 0.430 293 W N 1.268 122.564 121.300 -0.007 0.000 2.321 293 W HA -0.175 4.485 4.660 0.000 0.000 0.306 293 W C 2.880 179.426 176.519 0.045 0.000 1.217 293 W CA 1.098 58.450 57.345 0.011 0.000 1.257 293 W CB -0.796 28.675 29.460 0.019 0.000 1.145 293 W HN 0.200 nan 8.180 nan 0.000 0.509 294 T N -0.150 114.607 114.554 0.337 0.000 2.737 294 T HA -0.162 4.188 4.350 0.001 0.000 0.265 294 T C 1.986 176.829 174.700 0.239 0.000 1.038 294 T CA 1.675 63.938 62.100 0.272 0.000 1.144 294 T CB -0.854 68.180 68.868 0.278 0.000 0.866 294 T HN 0.192 nan 8.240 nan 0.000 0.434 295 A N 2.349 125.287 122.820 0.198 0.000 1.859 295 A HA -0.161 4.159 4.320 0.001 0.000 0.218 295 A C 2.302 180.130 177.584 0.406 0.000 1.209 295 A CA 2.201 54.410 52.037 0.286 0.000 0.639 295 A CB -1.061 17.911 19.000 -0.047 0.000 0.835 295 A HN 0.720 nan 8.150 nan 0.000 0.450 296 I N -3.707 116.955 120.570 0.153 0.000 2.454 296 I HA -0.196 3.975 4.170 0.001 0.000 0.254 296 I C 2.375 178.646 176.117 0.255 0.000 1.156 296 I CA 2.030 63.486 61.300 0.260 0.000 1.433 296 I CB -0.321 37.736 38.000 0.095 0.000 1.082 296 I HN 0.263 nan 8.210 nan 0.000 0.432 297 M N 0.206 119.931 119.600 0.209 0.000 2.388 297 M HA 0.025 4.505 4.480 0.001 0.000 0.265 297 M C 1.517 177.844 176.300 0.046 0.000 1.088 297 M CA 0.980 56.360 55.300 0.134 0.000 1.134 297 M CB 0.120 32.795 32.600 0.124 0.000 1.384 297 M HN 0.161 nan 8.290 nan 0.000 0.447 298 E N -0.723 119.482 120.200 0.008 0.000 2.474 298 E HA 0.105 4.455 4.350 0.001 0.000 0.195 298 E C -0.395 175.771 176.600 -0.723 0.000 1.039 298 E CA 0.471 56.677 56.400 -0.324 0.000 0.881 298 E CB 0.482 29.943 29.700 -0.398 0.000 0.970 298 E HN 0.361 nan 8.360 nan 0.000 0.486 299 F N 0.100 120.126 119.950 0.127 0.000 2.520 299 F HA 0.233 4.760 4.527 0.000 0.000 0.371 299 F C -1.796 174.060 175.800 0.094 0.000 1.540 299 F CA -1.549 56.502 58.000 0.084 0.000 1.091 299 F CB 1.252 40.292 39.000 0.066 0.000 1.488 299 F HN -0.146 nan 8.300 nan 0.000 0.538 300 P HA -0.198 nan 4.420 nan 0.000 0.219 300 P C 1.073 178.448 177.300 0.126 0.000 1.144 300 P CA 1.590 64.788 63.100 0.163 0.000 0.806 300 P CB 0.419 32.174 31.700 0.091 0.000 0.771 301 E N -0.812 119.439 120.200 0.086 0.000 2.230 301 E HA -0.045 4.306 4.350 0.001 0.000 0.192 301 E C 1.944 178.512 176.600 -0.054 0.000 0.987 301 E CA 0.335 56.748 56.400 0.021 0.000 0.841 301 E CB -0.818 28.891 29.700 0.015 0.000 0.783 301 E HN 0.233 nan 8.360 nan 0.000 0.481 302 L N -0.153 120.992 121.223 -0.129 0.000 2.109 302 L HA 0.065 4.405 4.340 0.001 0.000 0.207 302 L C 0.199 176.730 176.870 -0.564 0.000 1.086 302 L CA 1.165 55.724 54.840 -0.468 0.000 0.760 302 L CB -0.018 41.535 42.059 -0.844 0.000 0.910 302 L HN -0.169 nan 8.230 nan 0.000 0.437 303 F N -1.866 118.065 119.950 -0.032 0.000 2.480 303 F HA 0.541 5.068 4.527 0.000 0.000 0.329 303 F C 1.139 176.915 175.800 -0.040 0.000 1.091 303 F CA -0.262 57.704 58.000 -0.057 0.000 0.972 303 F CB 1.160 40.141 39.000 -0.032 0.000 1.150 303 F HN -0.167 nan 8.300 nan 0.000 0.467 304 A N 2.031 124.928 122.820 0.129 0.000 1.975 304 A HA 0.636 4.957 4.320 0.001 0.000 0.215 304 A C 0.686 178.343 177.584 0.123 0.000 1.170 304 A CA 1.083 53.168 52.037 0.079 0.000 0.656 304 A CB -0.200 18.799 19.000 -0.002 0.000 0.821 304 A HN 0.952 nan 8.150 nan 0.000 0.449 305 A N -2.456 120.471 122.820 0.178 0.000 2.583 305 A HA 0.680 5.001 4.320 0.001 0.000 0.292 305 A C -0.864 176.768 177.584 0.079 0.000 1.045 305 A CA 0.071 52.165 52.037 0.094 0.000 0.672 305 A CB 0.031 18.964 19.000 -0.113 0.000 1.283 305 A HN 1.689 nan 8.150 nan 0.000 0.419 306 A N 0.400 123.277 122.820 0.095 0.000 2.486 306 A HA 0.803 5.123 4.320 0.001 0.000 0.300 306 A C -1.240 176.395 177.584 0.085 0.000 1.048 306 A CA -0.338 51.691 52.037 -0.013 0.000 0.696 306 A CB 0.955 19.838 19.000 -0.195 0.000 1.278 306 A HN 1.028 nan 8.150 nan 0.000 0.405 307 I N 3.291 123.889 120.570 0.047 0.000 2.428 307 I HA 0.340 4.511 4.170 0.001 0.000 0.279 307 I C -2.431 173.661 176.117 -0.042 0.000 1.040 307 I CA -1.784 59.568 61.300 0.088 0.000 1.171 307 I CB 2.219 40.340 38.000 0.202 0.000 1.312 307 I HN 0.323 nan 8.210 nan 0.000 0.470 308 P HA 0.403 nan 4.420 nan 0.000 0.297 308 P C -0.602 176.677 177.300 -0.034 0.000 1.342 308 P CA -0.267 62.650 63.100 -0.305 0.000 0.801 308 P CB 0.785 31.891 31.700 -0.989 0.000 0.920 309 I N 4.162 124.759 120.570 0.045 0.000 2.336 309 I HA 0.179 4.349 4.170 0.001 0.000 0.292 309 I C 0.573 176.739 176.117 0.083 0.000 0.991 309 I CA -0.631 60.738 61.300 0.115 0.000 1.227 309 I CB 0.572 38.638 38.000 0.109 0.000 1.366 309 I HN 0.538 nan 8.210 nan 0.000 0.466 310 C N 3.657 122.933 119.300 -0.041 0.000 2.409 310 C HA 0.020 4.480 4.460 0.001 0.000 0.202 310 C C 0.693 175.669 174.990 -0.022 0.000 1.295 310 C CA -0.227 58.586 59.018 -0.342 0.000 2.660 310 C CB -2.987 24.441 27.740 -0.521 0.000 1.634 310 C HN 1.142 nan 8.230 nan 0.000 0.316 311 G N 1.456 110.263 108.800 0.013 0.000 3.058 311 G HA2 1.050 5.010 3.960 0.001 0.000 0.282 311 G HA3 1.050 5.010 3.960 0.001 0.000 0.282 311 G C -0.220 174.334 174.900 -0.576 0.000 1.248 311 G CA -0.172 44.719 45.100 -0.347 0.000 0.822 311 G HN 2.023 nan 8.290 nan 0.000 0.579 312 G N -3.087 105.116 108.800 -0.995 0.000 2.663 312 G HA2 0.641 4.602 3.960 0.001 0.000 0.299 312 G HA3 0.641 4.602 3.960 0.001 0.000 0.299 312 G C -0.412 174.492 174.900 0.007 0.000 1.372 312 G CA 0.065 44.915 45.100 -0.417 0.000 0.781 312 G HN 1.930 nan 8.290 nan 0.000 0.491 313 G N -0.322 108.407 108.800 -0.118 0.000 3.813 313 G HA2 0.280 4.240 3.960 0.001 0.000 0.234 313 G HA3 0.280 4.240 3.960 0.001 0.000 0.234 313 G C -1.180 172.943 174.900 -1.295 0.000 3.831 313 G CA -0.283 44.400 45.100 -0.694 0.000 0.585 313 G HN 0.595 nan 8.290 nan 0.000 0.267 314 D N 1.592 121.449 120.400 -0.905 0.000 2.500 314 D HA 0.363 5.003 4.640 0.001 0.000 0.219 314 D C 1.842 177.862 176.300 -0.466 0.000 1.137 314 D CA -0.336 53.203 54.000 -0.768 0.000 0.946 314 D CB 1.131 41.721 40.800 -0.350 0.000 1.022 314 D HN 0.081 nan 8.370 nan 0.000 0.518 315 V N 2.268 121.906 119.914 -0.461 0.000 2.392 315 V HA -0.259 3.862 4.120 0.001 0.000 0.249 315 V C 2.504 178.470 176.094 -0.212 0.000 1.059 315 V CA 1.828 63.935 62.300 -0.323 0.000 1.051 315 V CB -1.247 30.411 31.823 -0.275 0.000 0.658 315 V HN 0.583 nan 8.190 nan 0.000 0.455 316 S N 0.873 116.466 115.700 -0.178 0.000 2.420 316 S HA -0.237 4.233 4.470 0.001 0.000 0.237 316 S C 1.624 176.167 174.600 -0.095 0.000 1.023 316 S CA 1.573 59.705 58.200 -0.113 0.000 0.991 316 S CB -0.514 62.635 63.200 -0.086 0.000 0.792 316 S HN 0.738 nan 8.310 nan 0.000 0.488 317 K N 1.295 121.629 120.400 -0.110 0.000 2.397 317 K HA 0.251 4.572 4.320 0.001 0.000 0.202 317 K C 1.622 178.188 176.600 -0.057 0.000 1.022 317 K CA 0.536 56.781 56.287 -0.071 0.000 1.141 317 K CB 0.538 33.004 32.500 -0.057 0.000 0.857 317 K HN 0.474 nan 8.250 nan 0.000 0.514 318 V N -1.755 118.109 119.914 -0.084 0.000 2.809 318 V HA -0.139 3.981 4.120 0.001 0.000 0.256 318 V C 1.937 178.020 176.094 -0.019 0.000 1.080 318 V CA 1.460 63.726 62.300 -0.057 0.000 1.102 318 V CB -0.219 31.544 31.823 -0.100 0.000 0.705 318 V HN 0.110 nan 8.190 nan 0.000 0.475 319 E N 1.538 121.721 120.200 -0.027 0.000 2.118 319 E HA -0.199 4.152 4.350 0.001 0.000 0.195 319 E C 2.291 178.894 176.600 0.004 0.000 0.992 319 E CA 1.830 58.222 56.400 -0.014 0.000 0.804 319 E CB -0.295 29.392 29.700 -0.021 0.000 0.741 319 E HN 0.719 nan 8.360 nan 0.000 0.458 320 R N 0.129 120.635 120.500 0.010 0.000 2.081 320 R HA -0.059 4.282 4.340 0.001 0.000 0.235 320 R C 2.300 178.630 176.300 0.049 0.000 1.131 320 R CA 1.660 57.775 56.100 0.025 0.000 0.960 320 R CB -0.731 29.584 30.300 0.024 0.000 0.856 320 R HN 0.398 nan 8.270 nan 0.000 0.436 321 I N -0.624 119.987 120.570 0.067 0.000 3.810 321 I HA 0.136 4.306 4.170 0.001 0.000 0.322 321 I C 1.844 178.012 176.117 0.085 0.000 1.288 321 I CA 0.116 61.476 61.300 0.100 0.000 1.143 321 I CB -0.020 38.073 38.000 0.154 0.000 1.012 321 I HN -0.048 nan 8.210 nan 0.000 0.423 322 K N 1.597 122.030 120.400 0.055 0.000 2.293 322 K HA -0.216 4.104 4.320 0.001 0.000 0.204 322 K C 0.799 177.427 176.600 0.047 0.000 1.045 322 K CA 2.045 58.357 56.287 0.041 0.000 0.933 322 K CB 0.022 32.535 32.500 0.021 0.000 0.736 322 K HN 0.376 nan 8.250 nan 0.000 0.463 323 D N -0.168 120.264 120.400 0.053 0.000 2.398 323 D HA 0.159 4.799 4.640 0.001 0.000 0.210 323 D C -0.190 176.148 176.300 0.063 0.000 1.094 323 D CA 0.033 54.062 54.000 0.049 0.000 0.839 323 D CB 0.381 41.204 40.800 0.037 0.000 0.963 323 D HN 0.189 nan 8.370 nan 0.000 0.506 324 I N 2.673 123.294 120.570 0.085 0.000 2.337 324 I HA 0.165 4.336 4.170 0.001 0.000 0.291 324 I C -2.189 174.004 176.117 0.126 0.000 1.046 324 I CA -1.940 59.421 61.300 0.102 0.000 1.324 324 I CB 1.052 39.124 38.000 0.121 0.000 1.409 324 I HN -0.370 nan 8.210 nan 0.000 0.494 325 P HA 0.147 nan 4.420 nan 0.000 0.263 325 P C -0.737 176.802 177.300 0.399 0.000 1.195 325 P CA 0.535 63.779 63.100 0.240 0.000 0.762 325 P CB 0.262 32.015 31.700 0.089 0.000 0.799 326 I N 3.260 124.088 120.570 0.430 0.000 2.548 326 I HA 0.301 4.472 4.170 0.001 0.000 0.287 326 I C -0.926 175.266 176.117 0.124 0.000 1.103 326 I CA -0.578 60.914 61.300 0.320 0.000 1.049 326 I CB 2.140 40.212 38.000 0.120 0.000 1.232 326 I HN 0.316 nan 8.210 nan 0.000 0.429 327 W N 7.876 129.036 121.300 -0.234 0.000 2.294 327 W HA 0.590 5.251 4.660 0.002 0.000 0.314 327 W C -1.150 175.170 176.519 -0.332 0.000 1.044 327 W CA -0.836 56.201 57.345 -0.514 0.000 1.284 327 W CB 1.273 30.193 29.460 -0.899 0.000 1.231 327 W HN 0.087 nan 8.180 nan 0.000 0.419 328 V N 7.209 127.203 119.914 0.133 0.000 2.644 328 V HA 0.451 4.572 4.120 0.001 0.000 0.295 328 V C -0.552 175.496 176.094 -0.077 0.000 1.053 328 V CA -0.267 62.116 62.300 0.137 0.000 0.987 328 V CB 1.102 33.064 31.823 0.232 0.000 1.006 328 V HN 0.242 nan 8.190 nan 0.000 0.472 329 F N 2.734 122.808 119.950 0.206 0.000 2.574 329 F HA 0.637 5.164 4.527 0.001 0.000 0.313 329 F C -0.231 175.685 175.800 0.193 0.000 1.130 329 F CA -0.396 57.636 58.000 0.053 0.000 0.936 329 F CB 1.707 40.638 39.000 -0.116 0.000 1.219 329 F HN 0.494 nan 8.300 nan 0.000 0.445 330 H N 1.368 120.593 119.070 0.259 0.000 3.085 330 H HA 0.687 5.244 4.556 0.001 0.000 0.356 330 H C -1.526 173.949 175.328 0.245 0.000 1.178 330 H CA -0.802 55.415 56.048 0.280 0.000 1.214 330 H CB 2.130 32.084 29.762 0.321 0.000 1.881 330 H HN 0.801 nan 8.280 nan 0.000 0.538 331 A N 2.833 125.989 122.820 0.561 0.000 2.310 331 A HA 0.206 4.526 4.320 0.001 0.000 0.299 331 A C 1.452 179.245 177.584 0.350 0.000 1.147 331 A CA -0.295 52.011 52.037 0.450 0.000 0.818 331 A CB 0.730 19.947 19.000 0.361 0.000 1.096 331 A HN 0.838 nan 8.150 nan 0.000 0.495 332 E N 1.305 121.638 120.200 0.221 0.000 2.085 332 E HA -0.222 4.129 4.350 0.001 0.000 0.194 332 E C 0.258 176.943 176.600 0.140 0.000 0.994 332 E CA 1.855 58.335 56.400 0.134 0.000 0.801 332 E CB -0.002 29.756 29.700 0.096 0.000 0.743 332 E HN 0.812 nan 8.360 nan 0.000 0.453 333 D N 0.687 121.189 120.400 0.169 0.000 2.561 333 D HA -0.013 4.627 4.640 0.001 0.000 0.232 333 D C -0.217 176.197 176.300 0.189 0.000 1.198 333 D CA -0.357 53.735 54.000 0.153 0.000 0.826 333 D CB -0.549 40.328 40.800 0.128 0.000 0.992 333 D HN -0.099 nan 8.370 nan 0.000 0.490 334 D N 1.904 122.461 120.400 0.261 0.000 2.401 334 D HA 0.031 4.672 4.640 0.001 0.000 0.254 334 D C -1.572 174.897 176.300 0.281 0.000 1.192 334 D CA -1.590 52.606 54.000 0.327 0.000 0.885 334 D CB 1.678 42.775 40.800 0.495 0.000 1.147 334 D HN 0.053 nan 8.370 nan 0.000 0.478 335 P HA 0.058 nan 4.420 nan 0.000 0.275 335 P C 1.014 178.410 177.300 0.158 0.000 1.310 335 P CA -0.099 63.100 63.100 0.166 0.000 0.904 335 P CB 0.809 32.582 31.700 0.122 0.000 1.381 336 V N -0.198 119.818 119.914 0.170 0.000 2.326 336 V HA 0.016 4.136 4.120 0.001 0.000 0.238 336 V C 1.187 177.406 176.094 0.208 0.000 1.038 336 V CA 1.091 63.453 62.300 0.104 0.000 1.032 336 V CB -0.363 31.290 31.823 -0.284 0.000 0.675 336 V HN -0.186 nan 8.190 nan 0.000 0.467 337 V N 3.308 123.439 119.914 0.362 0.000 2.277 337 V HA 0.335 4.455 4.120 0.001 0.000 0.269 337 V C -2.428 173.960 176.094 0.489 0.000 1.036 337 V CA -1.977 60.585 62.300 0.437 0.000 0.821 337 V CB 0.640 32.772 31.823 0.515 0.000 1.052 337 V HN 0.333 nan 8.190 nan 0.000 0.462 338 P HA -0.076 nan 4.420 nan 0.000 0.263 338 P C 1.042 178.366 177.300 0.040 0.000 1.168 338 P CA 0.639 63.851 63.100 0.186 0.000 0.759 338 P CB 1.059 32.837 31.700 0.129 0.000 0.782 339 V N 2.633 122.437 119.914 -0.183 0.000 2.626 339 V HA -0.224 3.896 4.120 0.001 0.000 0.252 339 V C 2.360 178.252 176.094 -0.338 0.000 1.067 339 V CA 2.324 64.221 62.300 -0.672 0.000 1.081 339 V CB -0.980 30.646 31.823 -0.328 0.000 0.686 339 V HN 0.558 nan 8.190 nan 0.000 0.468 340 E N 0.878 121.001 120.200 -0.129 0.000 2.097 340 E HA -0.278 4.073 4.350 0.001 0.000 0.196 340 E C 1.979 178.532 176.600 -0.078 0.000 1.000 340 E CA 2.111 58.466 56.400 -0.075 0.000 0.804 340 E CB -0.556 29.127 29.700 -0.028 0.000 0.740 340 E HN 0.677 nan 8.360 nan 0.000 0.454 341 N N -0.332 118.351 118.700 -0.027 0.000 2.122 341 N HA -0.216 4.525 4.740 0.001 0.000 0.199 341 N C 1.754 177.228 175.510 -0.060 0.000 1.007 341 N CA 1.936 54.987 53.050 0.001 0.000 0.892 341 N CB -0.400 38.167 38.487 0.134 0.000 1.050 341 N HN 0.168 nan 8.380 nan 0.000 0.468 342 S N 0.031 115.731 115.700 0.000 0.000 2.446 342 S HA 0.108 4.578 4.470 0.001 0.000 0.225 342 S C 1.843 176.293 174.600 -0.249 0.000 1.016 342 S CA 0.264 58.470 58.200 0.010 0.000 0.943 342 S CB 0.330 63.703 63.200 0.288 0.000 0.786 342 S HN 0.317 nan 8.310 nan 0.000 0.508 343 R N 0.452 120.812 120.500 -0.232 0.000 2.073 343 R HA 0.017 4.358 4.340 0.001 0.000 0.229 343 R C 2.296 178.453 176.300 -0.240 0.000 1.120 343 R CA 1.007 56.946 56.100 -0.267 0.000 0.967 343 R CB -0.756 29.470 30.300 -0.124 0.000 0.862 343 R HN 0.246 nan 8.270 nan 0.000 0.436 344 V N 1.327 121.118 119.914 -0.204 0.000 2.231 344 V HA -0.271 3.850 4.120 0.001 0.000 0.248 344 V C 1.932 177.865 176.094 -0.269 0.000 1.054 344 V CA 1.848 64.025 62.300 -0.205 0.000 1.015 344 V CB -0.326 31.387 31.823 -0.184 0.000 0.638 344 V HN 0.174 nan 8.190 nan 0.000 0.444 345 L N -0.122 120.876 121.223 -0.375 0.000 1.971 345 L HA -0.162 4.179 4.340 0.001 0.000 0.215 345 L C 2.581 179.264 176.870 -0.311 0.000 1.072 345 L CA 2.323 56.877 54.840 -0.477 0.000 0.758 345 L CB -1.727 39.798 42.059 -0.889 0.000 0.889 345 L HN 0.271 nan 8.230 nan 0.000 0.433 346 V N -0.152 119.589 119.914 -0.289 0.000 2.332 346 V HA -0.320 3.801 4.120 0.001 0.000 0.248 346 V C 2.669 178.650 176.094 -0.188 0.000 1.055 346 V CA 1.914 64.069 62.300 -0.241 0.000 1.038 346 V CB -0.672 30.873 31.823 -0.463 0.000 0.651 346 V HN 0.509 nan 8.190 nan 0.000 0.450 347 K N 0.422 120.704 120.400 -0.197 0.000 2.002 347 K HA -0.286 4.034 4.320 0.001 0.000 0.209 347 K C 2.305 178.834 176.600 -0.118 0.000 1.048 347 K CA 2.154 58.359 56.287 -0.137 0.000 0.930 347 K CB -0.174 32.251 32.500 -0.124 0.000 0.714 347 K HN 0.301 nan 8.250 nan 0.000 0.438 348 K N 1.217 121.534 120.400 -0.139 0.000 2.026 348 K HA -0.101 4.220 4.320 0.001 0.000 0.208 348 K C 2.156 178.697 176.600 -0.098 0.000 1.048 348 K CA 0.972 57.186 56.287 -0.121 0.000 0.929 348 K CB -0.556 31.855 32.500 -0.149 0.000 0.713 348 K HN 0.092 nan 8.250 nan 0.000 0.439 349 L N 0.670 121.832 121.223 -0.103 0.000 1.963 349 L HA -0.252 4.088 4.340 0.001 0.000 0.220 349 L C 2.336 179.179 176.870 -0.044 0.000 1.076 349 L CA 2.451 57.258 54.840 -0.054 0.000 0.772 349 L CB -1.636 40.412 42.059 -0.019 0.000 0.892 349 L HN 0.412 nan 8.230 nan 0.000 0.435 350 A N 0.320 123.107 122.820 -0.055 0.000 1.884 350 A HA -0.267 4.054 4.320 0.001 0.000 0.219 350 A C 2.002 179.560 177.584 -0.042 0.000 1.197 350 A CA 2.218 54.226 52.037 -0.048 0.000 0.637 350 A CB -0.799 18.166 19.000 -0.058 0.000 0.827 350 A HN 0.736 nan 8.150 nan 0.000 0.450 351 E N -1.038 119.134 120.200 -0.048 0.000 2.265 351 E HA -0.128 4.223 4.350 0.001 0.000 0.196 351 E C 1.271 177.850 176.600 -0.035 0.000 0.996 351 E CA 1.008 57.383 56.400 -0.041 0.000 0.832 351 E CB -0.230 29.443 29.700 -0.046 0.000 0.756 351 E HN 0.456 nan 8.360 nan 0.000 0.491 352 I N 0.894 121.443 120.570 -0.036 0.000 3.793 352 I HA 0.120 4.291 4.170 0.001 0.000 0.315 352 I C 1.329 177.435 176.117 -0.018 0.000 1.275 352 I CA 1.024 62.307 61.300 -0.029 0.000 1.214 352 I CB -0.186 37.794 38.000 -0.034 0.000 1.018 352 I HN 0.420 nan 8.210 nan 0.000 0.439 353 G N -0.042 108.747 108.800 -0.017 0.000 2.163 353 G HA2 -0.227 3.733 3.960 0.001 0.000 0.213 353 G HA3 -0.227 3.733 3.960 0.001 0.000 0.213 353 G C 1.142 176.040 174.900 -0.003 0.000 0.991 353 G CA 0.376 45.470 45.100 -0.010 0.000 0.653 353 G HN 0.508 nan 8.290 nan 0.000 0.518 354 G N 0.589 109.386 108.800 -0.004 0.000 3.901 354 G HA2 -0.087 3.874 3.960 0.001 0.000 0.234 354 G HA3 -0.087 3.874 3.960 0.001 0.000 0.234 354 G C 0.760 175.674 174.900 0.023 0.000 0.906 354 G CA 1.714 46.821 45.100 0.012 0.000 0.722 354 G HN 1.618 nan 8.290 nan 0.000 1.399 355 K N -2.029 118.383 120.400 0.021 0.000 3.029 355 K HA -0.003 4.318 4.320 0.001 0.000 0.254 355 K C -1.087 175.550 176.600 0.061 0.000 1.224 355 K CA 0.415 56.731 56.287 0.048 0.000 0.743 355 K CB -1.614 30.926 32.500 0.067 0.000 1.570 355 K HN 0.717 nan 8.250 nan 0.000 0.510 356 V N 0.317 120.232 119.914 0.002 0.000 3.012 356 V HA 0.673 4.793 4.120 0.001 0.000 0.307 356 V C -1.150 174.838 176.094 -0.176 0.000 1.166 356 V CA -0.756 61.525 62.300 -0.033 0.000 0.974 356 V CB 2.150 33.972 31.823 -0.000 0.000 1.040 356 V HN 0.376 nan 8.190 nan 0.000 0.428 357 R N 3.236 123.547 120.500 -0.315 0.000 2.888 357 R HA 0.625 4.965 4.340 0.001 0.000 0.266 357 R C -2.199 173.892 176.300 -0.350 0.000 1.020 357 R CA -0.778 54.956 56.100 -0.609 0.000 0.963 357 R CB 2.515 31.929 30.300 -1.477 0.000 1.197 357 R HN 0.694 nan 8.270 nan 0.000 0.481 358 Y N 0.204 120.195 120.300 -0.515 0.000 2.264 358 Y HA 0.205 4.755 4.550 0.001 0.000 0.321 358 Y C -1.482 174.247 175.900 -0.284 0.000 1.199 358 Y CA -0.480 57.436 58.100 -0.308 0.000 1.175 358 Y CB 1.648 39.991 38.460 -0.195 0.000 1.213 358 Y HN 0.464 nan 8.280 nan 0.000 0.414 359 T N 5.700 119.894 114.554 -0.599 0.000 2.743 359 T HA 0.265 4.616 4.350 0.001 0.000 0.292 359 T C -0.588 173.474 174.700 -1.062 0.000 0.972 359 T CA -0.501 61.167 62.100 -0.721 0.000 0.967 359 T CB 0.743 69.321 68.868 -0.482 0.000 0.926 359 T HN 0.600 nan 8.240 nan 0.000 0.459 360 E N 3.653 123.208 120.200 -1.074 0.000 2.102 360 E HA 0.246 4.597 4.350 0.001 0.000 0.263 360 E C -0.887 175.431 176.600 -0.469 0.000 0.894 360 E CA -0.744 55.190 56.400 -0.776 0.000 0.746 360 E CB 0.498 29.781 29.700 -0.695 0.000 1.129 360 E HN 0.542 nan 8.360 nan 0.000 0.416 361 Y N 2.440 122.646 120.300 -0.156 0.000 2.620 361 Y HA -0.034 4.517 4.550 0.001 0.000 0.330 361 Y C 1.021 176.890 175.900 -0.051 0.000 1.186 361 Y CA 0.086 58.072 58.100 -0.190 0.000 1.467 361 Y CB 0.278 38.655 38.460 -0.138 0.000 1.262 361 Y HN 0.385 nan 8.280 nan 0.000 0.550 362 E N 2.761 123.018 120.200 0.094 0.000 2.442 362 E HA -0.067 4.283 4.350 0.001 0.000 0.262 362 E C -0.089 176.632 176.600 0.202 0.000 1.004 362 E CA -0.318 56.158 56.400 0.126 0.000 0.928 362 E CB 0.557 30.331 29.700 0.122 0.000 0.937 362 E HN 0.469 nan 8.360 nan 0.000 0.446 363 K N 0.814 121.300 120.400 0.143 0.000 2.530 363 K HA -0.102 4.218 4.320 0.001 0.000 0.280 363 K C 0.982 177.670 176.600 0.148 0.000 1.004 363 K CA 1.141 57.510 56.287 0.137 0.000 1.071 363 K CB -0.008 32.549 32.500 0.094 0.000 0.876 363 K HN 0.735 nan 8.250 nan 0.000 0.487 364 G N 4.572 113.457 108.800 0.142 0.000 2.454 364 G HA2 -0.393 3.568 3.960 0.001 0.000 0.225 364 G HA3 -0.393 3.568 3.960 0.001 0.000 0.225 364 G C 0.721 175.708 174.900 0.145 0.000 1.138 364 G CA 0.396 45.562 45.100 0.111 0.000 0.667 364 G HN 0.741 nan 8.290 nan 0.000 0.512 365 F N 1.886 121.893 119.950 0.095 0.000 2.111 365 F HA -0.209 4.319 4.527 0.001 0.000 0.300 365 F C 2.709 178.608 175.800 0.165 0.000 1.088 365 F CA 3.139 61.224 58.000 0.143 0.000 1.243 365 F CB -0.169 38.932 39.000 0.169 0.000 0.996 365 F HN 0.242 nan 8.300 nan 0.000 0.483 366 M N 0.263 119.966 119.600 0.172 0.000 2.062 366 M HA -0.162 4.318 4.480 0.001 0.000 0.259 366 M C 2.204 178.461 176.300 -0.072 0.000 1.076 366 M CA 1.586 56.933 55.300 0.078 0.000 1.122 366 M CB -1.457 31.252 32.600 0.181 0.000 1.312 366 M HN 0.160 nan 8.290 nan 0.000 0.412 367 E N 0.780 120.962 120.200 -0.029 0.000 2.068 367 E HA -0.285 4.066 4.350 0.001 0.000 0.207 367 E C 1.882 178.360 176.600 -0.203 0.000 1.032 367 E CA 1.755 58.105 56.400 -0.084 0.000 0.839 367 E CB -0.733 28.945 29.700 -0.035 0.000 0.758 367 E HN 0.485 nan 8.360 nan 0.000 0.457 368 K N 0.196 120.470 120.400 -0.210 0.000 2.184 368 K HA -0.241 4.079 4.320 0.001 0.000 0.210 368 K C 1.747 177.995 176.600 -0.586 0.000 1.048 368 K CA 1.873 57.961 56.287 -0.332 0.000 0.931 368 K CB -0.173 32.163 32.500 -0.274 0.000 0.718 368 K HN 0.316 nan 8.250 nan 0.000 0.465 369 H N -2.016 116.610 119.070 -0.740 0.000 2.551 369 H HA 0.133 4.689 4.556 0.001 0.000 0.271 369 H C 0.751 175.307 175.328 -1.287 0.000 0.984 369 H CA 0.693 56.052 56.048 -1.148 0.000 1.164 369 H CB 1.068 29.704 29.762 -1.877 0.000 1.437 369 H HN 0.544 nan 8.280 nan 0.000 0.550 370 G N 0.811 109.178 108.800 -0.720 0.000 2.164 370 G HA2 -0.181 3.780 3.960 0.001 0.000 0.212 370 G HA3 -0.181 3.780 3.960 0.001 0.000 0.212 370 G C -0.735 173.990 174.900 -0.292 0.000 1.031 370 G CA -0.353 44.462 45.100 -0.475 0.000 0.730 370 G HN 0.150 nan 8.290 nan 0.000 0.501 371 W N 0.618 121.851 121.300 -0.112 0.000 2.785 371 W HA 0.529 5.190 4.660 0.001 0.000 0.333 371 W C -0.096 176.345 176.519 -0.130 0.000 1.062 371 W CA -2.053 55.207 57.345 -0.142 0.000 1.233 371 W CB 1.089 30.422 29.460 -0.212 0.000 1.413 371 W HN 0.176 nan 8.180 nan 0.000 0.489 372 D N 4.730 125.188 120.400 0.097 0.000 2.493 372 D HA -0.032 4.609 4.640 0.001 0.000 0.240 372 D C -1.031 175.288 176.300 0.032 0.000 1.142 372 D CA -0.613 53.409 54.000 0.037 0.000 0.872 372 D CB 1.910 42.714 40.800 0.007 0.000 1.173 372 D HN -0.003 nan 8.370 nan 0.000 0.467 373 P HA -0.164 nan 4.420 nan 0.000 0.223 373 P C 1.031 178.384 177.300 0.088 0.000 1.144 373 P CA 1.084 64.242 63.100 0.096 0.000 0.783 373 P CB 0.047 31.828 31.700 0.136 0.000 0.771 374 H N 0.883 119.955 119.070 0.002 0.000 2.457 374 H HA 0.056 4.613 4.556 0.001 0.000 0.294 374 H C 1.674 176.827 175.328 -0.292 0.000 1.064 374 H CA 1.503 57.565 56.048 0.023 0.000 1.330 374 H CB -0.899 28.958 29.762 0.158 0.000 1.395 374 H HN 0.032 nan 8.280 nan 0.000 0.541 375 G N -0.091 108.281 108.800 -0.715 0.000 3.352 375 G HA2 -0.048 3.913 3.960 0.001 0.000 0.236 375 G HA3 -0.048 3.913 3.960 0.001 0.000 0.236 375 G C 1.159 175.194 174.900 -1.442 0.000 1.324 375 G CA 0.383 44.423 45.100 -1.766 0.000 1.404 375 G HN 0.513 nan 8.290 nan 0.000 0.542 376 S N -0.392 114.823 115.700 -0.807 0.000 2.465 376 S HA -0.201 4.270 4.470 0.001 0.000 0.241 376 S C 1.823 176.198 174.600 -0.375 0.000 1.000 376 S CA 1.194 59.157 58.200 -0.394 0.000 0.964 376 S CB -0.552 62.673 63.200 0.042 0.000 0.763 376 S HN 0.870 nan 8.310 nan 0.000 0.512 377 W N 1.274 122.403 121.300 -0.286 0.000 2.519 377 W HA 0.302 4.962 4.660 0.000 0.000 0.266 377 W C 1.355 177.573 176.519 -0.502 0.000 1.253 377 W CA -0.383 56.713 57.345 -0.416 0.000 1.274 377 W CB -0.717 28.641 29.460 -0.170 0.000 1.114 377 W HN 0.168 nan 8.180 nan 0.000 0.596 378 I N 1.932 122.055 120.570 -0.746 0.000 2.133 378 I HA -0.182 3.989 4.170 0.001 0.000 0.238 378 I C -0.135 175.545 176.117 -0.727 0.000 1.074 378 I CA 1.196 62.042 61.300 -0.757 0.000 1.342 378 I CB -1.705 35.539 38.000 -1.259 0.000 1.053 378 I HN -0.190 nan 8.210 nan 0.000 0.404 379 P HA -0.114 nan 4.420 nan 0.000 0.217 379 P C 1.605 178.664 177.300 -0.400 0.000 1.150 379 P CA 1.520 64.322 63.100 -0.497 0.000 0.832 379 P CB -0.290 31.157 31.700 -0.423 0.000 0.787 380 T N -0.892 113.332 114.554 -0.549 0.000 2.635 380 T HA -0.204 4.147 4.350 0.001 0.000 0.267 380 T C 1.353 175.610 174.700 -0.739 0.000 1.040 380 T CA 1.594 63.168 62.100 -0.877 0.000 1.156 380 T CB -1.051 67.096 68.868 -1.201 0.000 0.863 380 T HN 0.092 nan 8.240 nan 0.000 0.430 381 Y N 1.138 121.193 120.300 -0.409 0.000 2.529 381 Y HA 0.151 4.702 4.550 0.001 0.000 0.290 381 Y C 2.083 177.775 175.900 -0.347 0.000 1.177 381 Y CA -0.099 57.749 58.100 -0.420 0.000 1.305 381 Y CB -0.029 38.197 38.460 -0.390 0.000 1.047 381 Y HN 0.198 nan 8.280 nan 0.000 0.522 382 E N -0.571 119.531 120.200 -0.164 0.000 2.481 382 E HA 0.018 4.368 4.350 0.001 0.000 0.198 382 E C -0.105 176.449 176.600 -0.076 0.000 1.027 382 E CA -0.017 56.329 56.400 -0.090 0.000 0.900 382 E CB -0.042 29.611 29.700 -0.078 0.000 0.993 382 E HN 0.177 nan 8.360 nan 0.000 0.482 383 N N 2.109 120.709 118.700 -0.167 0.000 2.415 383 N HA -0.010 4.731 4.740 0.001 0.000 0.246 383 N C 0.872 176.341 175.510 -0.069 0.000 1.078 383 N CA 0.173 53.142 53.050 -0.134 0.000 0.942 383 N CB 1.026 39.342 38.487 -0.285 0.000 1.140 383 N HN 0.073 nan 8.380 nan 0.000 0.501 384 Q N 2.436 122.265 119.800 0.048 0.000 2.096 384 Q HA -0.166 4.174 4.340 0.001 0.000 0.204 384 Q C 1.016 177.095 176.000 0.132 0.000 0.982 384 Q CA 1.426 57.308 55.803 0.131 0.000 0.850 384 Q CB 0.226 29.075 28.738 0.184 0.000 0.901 384 Q HN 0.648 nan 8.270 nan 0.000 0.422 385 E N -0.329 119.957 120.200 0.142 0.000 2.049 385 E HA -0.258 4.093 4.350 0.001 0.000 0.198 385 E C 1.883 178.659 176.600 0.292 0.000 1.007 385 E CA 1.178 57.727 56.400 0.247 0.000 0.809 385 E CB -0.170 29.724 29.700 0.323 0.000 0.749 385 E HN 0.462 nan 8.360 nan 0.000 0.450 386 A N 0.906 123.740 122.820 0.023 0.000 1.908 386 A HA -0.201 4.120 4.320 0.001 0.000 0.218 386 A C 2.161 179.875 177.584 0.217 0.000 1.181 386 A CA 1.371 53.360 52.037 -0.081 0.000 0.627 386 A CB -0.598 18.076 19.000 -0.543 0.000 0.818 386 A HN 0.185 nan 8.150 nan 0.000 0.445 387 I N -0.818 119.795 120.570 0.072 0.000 2.163 387 I HA -0.174 3.996 4.170 0.001 0.000 0.240 387 I C 2.530 178.760 176.117 0.188 0.000 1.081 387 I CA 1.188 62.533 61.300 0.075 0.000 1.353 387 I CB -0.326 37.459 38.000 -0.359 0.000 1.054 387 I HN 0.196 nan 8.210 nan 0.000 0.407 388 E N 0.091 120.415 120.200 0.207 0.000 2.058 388 E HA -0.291 4.059 4.350 0.001 0.000 0.194 388 E C 1.739 178.472 176.600 0.223 0.000 0.997 388 E CA 1.408 57.949 56.400 0.234 0.000 0.801 388 E CB -0.564 29.294 29.700 0.264 0.000 0.746 388 E HN 0.606 nan 8.360 nan 0.000 0.450 389 W N 1.154 122.529 121.300 0.126 0.000 2.338 389 W HA -0.212 4.449 4.660 0.001 0.000 0.304 389 W C 2.131 178.642 176.519 -0.013 0.000 1.212 389 W CA 1.578 59.000 57.345 0.128 0.000 1.264 389 W CB -0.506 29.150 29.460 0.326 0.000 1.142 389 W HN 0.151 nan 8.180 nan 0.000 0.512 390 L N -0.232 120.949 121.223 -0.070 0.000 2.083 390 L HA -0.124 4.217 4.340 0.001 0.000 0.209 390 L C 2.191 178.405 176.870 -1.093 0.000 1.083 390 L CA 1.885 56.266 54.840 -0.765 0.000 0.752 390 L CB -0.911 40.752 42.059 -0.659 0.000 0.899 390 L HN -0.036 nan 8.230 nan 0.000 0.433 391 F N 0.239 119.871 119.950 -0.530 0.000 2.456 391 F HA -0.055 4.472 4.527 0.000 0.000 0.298 391 F C 2.221 177.895 175.800 -0.211 0.000 1.104 391 F CA 0.931 58.695 58.000 -0.394 0.000 1.435 391 F CB -0.392 38.269 39.000 -0.565 0.000 1.078 391 F HN 0.317 nan 8.300 nan 0.000 0.546 392 E N -0.333 119.802 120.200 -0.108 0.000 2.494 392 E HA -0.026 4.324 4.350 0.001 0.000 0.193 392 E C 0.094 176.601 176.600 -0.155 0.000 1.074 392 E CA 0.092 56.449 56.400 -0.073 0.000 0.867 392 E CB -0.175 29.504 29.700 -0.036 0.000 0.924 392 E HN 0.255 nan 8.360 nan 0.000 0.502 393 Q N 1.162 120.802 119.800 -0.266 0.000 2.227 393 Q HA 0.495 4.836 4.340 0.001 0.000 0.245 393 Q C -0.424 175.617 176.000 0.067 0.000 0.926 393 Q CA -0.402 55.289 55.803 -0.186 0.000 0.895 393 Q CB 1.973 30.479 28.738 -0.387 0.000 1.230 393 Q HN 0.135 nan 8.270 nan 0.000 0.450 394 S N 0.398 116.115 115.700 0.028 0.000 2.656 394 S HA 0.609 5.079 4.470 0.001 0.000 0.265 394 S C -1.422 173.174 174.600 -0.007 0.000 1.110 394 S CA -0.726 57.484 58.200 0.017 0.000 0.821 394 S CB 0.983 64.196 63.200 0.022 0.000 1.099 394 S HN 0.551 nan 8.310 nan 0.000 0.471 395 R N 0.000 120.486 120.500 -0.023 0.000 2.786 395 R HA 0.000 4.340 4.340 0.001 0.000 0.208 395 R CA 0.000 56.088 56.100 -0.020 0.000 0.921 395 R CB 0.000 30.282 30.300 -0.030 0.000 0.687 395 R HN 0.000 nan 8.270 nan 0.000 0.535