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 1x81_1_B DATA FIRST_RESID 22 DATA SEQUENCE PLYSLRPEHA RERLQDDSVE TVTSIEQAKV EEKIQEVFSS YKFNHLVPRL DATA SEQUENCE VLQREKHFHY LKRGLRQLTD AYECLDASRP WLCYWILHSL ELLDEPIPQI DATA SEQUENCE VATDVCQFLE LCQSPDGGFG GGPGQYPHLA PTYAAVNALC IIGTEEAYNV DATA SEQUENCE INREKLLQYL YSLKQPDGSF LMHVGGEVDV RSAYCAASVA SLTNIITPDL DATA SEQUENCE FEGTAEWIAR CQNWEGGIGG VPGMEAHGGY TFCGLAALVI LKKERSLNLK DATA SEQUENCE SLLQWVTSRQ MRFEGGFQGR CNKLVDGCYS FWQAGLLPLL HRALHAQGDP DATA SEQUENCE ALSMSHWMFH QQALQEYILM CCQCPAGGLL DKPGKSRDFY HTCYCLSGLS DATA SEQUENCE IAQHFGSGAM LHDVVMGVPE NVLQPTHPVY NIGPDKVIQA TTHFLQK 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 22 P HA 0.000 nan 4.420 nan 0.000 0.216 22 P C 0.000 177.271 177.300 -0.049 0.000 1.155 22 P CA 0.000 63.059 63.100 -0.069 0.000 0.800 22 P CB 0.000 31.621 31.700 -0.132 0.000 0.726 23 L N -0.068 121.113 121.223 -0.070 0.000 2.436 23 L HA 0.385 4.726 4.340 0.001 0.000 0.268 23 L C 1.247 178.057 176.870 -0.101 0.000 0.974 23 L CA -0.862 53.943 54.840 -0.058 0.000 0.826 23 L CB 2.635 44.650 42.059 -0.073 0.000 1.291 23 L HN 0.206 nan 8.230 nan 0.000 0.406 24 Y N 2.258 122.431 120.300 -0.211 0.000 2.069 24 Y HA -0.352 4.198 4.550 0.001 0.000 0.278 24 Y C 2.344 177.889 175.900 -0.590 0.000 1.175 24 Y CA 2.505 60.398 58.100 -0.345 0.000 1.134 24 Y CB 0.108 38.358 38.460 -0.350 0.000 0.965 24 Y HN 0.671 nan 8.280 nan 0.000 0.498 25 S N -0.303 115.088 115.700 -0.515 0.000 2.440 25 S HA -0.142 4.328 4.470 0.001 0.000 0.238 25 S C 1.405 175.672 174.600 -0.555 0.000 1.010 25 S CA 1.496 59.206 58.200 -0.818 0.000 0.972 25 S CB -0.294 62.154 63.200 -1.253 0.000 0.774 25 S HN 0.350 nan 8.310 nan 0.000 0.501 26 L N 0.222 121.228 121.223 -0.362 0.000 2.693 26 L HA 0.275 4.616 4.340 0.001 0.000 0.235 26 L C 0.666 177.475 176.870 -0.101 0.000 1.127 26 L CA 0.158 54.899 54.840 -0.164 0.000 0.914 26 L CB -0.063 41.932 42.059 -0.108 0.000 1.193 26 L HN -0.031 nan 8.230 nan 0.000 0.502 27 R N 0.865 121.264 120.500 -0.167 0.000 2.640 27 R HA -0.009 4.331 4.340 0.001 0.000 0.270 27 R C -1.388 174.880 176.300 -0.053 0.000 1.024 27 R CA -1.023 55.008 56.100 -0.115 0.000 1.085 27 R CB -0.159 30.043 30.300 -0.163 0.000 0.963 27 R HN -0.102 nan 8.270 nan 0.000 0.426 28 P HA -0.217 nan 4.420 nan 0.000 0.215 28 P C 0.319 177.620 177.300 0.001 0.000 1.157 28 P CA 1.349 64.448 63.100 -0.001 0.000 0.874 28 P CB 0.235 31.933 31.700 -0.004 0.000 0.790 29 E N -1.959 118.231 120.200 -0.016 0.000 2.273 29 E HA -0.234 4.116 4.350 0.001 0.000 0.198 29 E C 1.875 178.481 176.600 0.010 0.000 1.002 29 E CA 0.955 57.347 56.400 -0.013 0.000 0.828 29 E CB -1.304 28.381 29.700 -0.025 0.000 0.747 29 E HN 0.529 nan 8.360 nan 0.000 0.491 30 H N -0.242 118.739 119.070 -0.148 0.000 2.489 30 H HA 0.056 4.613 4.556 0.001 0.000 0.293 30 H C 1.800 177.113 175.328 -0.025 0.000 1.066 30 H CA 0.569 56.520 56.048 -0.162 0.000 1.305 30 H CB 0.202 29.804 29.762 -0.266 0.000 1.386 30 H HN 0.291 nan 8.280 nan 0.000 0.551 31 A N 0.915 123.749 122.820 0.024 0.000 2.125 31 A HA -0.104 4.217 4.320 0.001 0.000 0.219 31 A C 2.147 179.660 177.584 -0.118 0.000 1.156 31 A CA 0.676 52.673 52.037 -0.068 0.000 0.671 31 A CB -0.271 18.709 19.000 -0.034 0.000 0.794 31 A HN 0.388 nan 8.150 nan 0.000 0.459 32 R N -0.136 120.330 120.500 -0.057 0.000 2.319 32 R HA 0.037 4.377 4.340 0.001 0.000 0.204 32 R C -0.069 176.195 176.300 -0.060 0.000 0.954 32 R CA 0.294 56.360 56.100 -0.056 0.000 1.066 32 R CB 0.183 30.470 30.300 -0.021 0.000 0.991 32 R HN 0.365 nan 8.270 nan 0.000 0.486 33 E N 0.920 121.069 120.200 -0.086 0.000 2.569 33 E HA 0.092 4.442 4.350 0.001 0.000 0.205 33 E C -0.065 176.413 176.600 -0.204 0.000 1.006 33 E CA -0.045 56.327 56.400 -0.046 0.000 0.985 33 E CB 0.392 30.176 29.700 0.141 0.000 1.060 33 E HN 0.086 nan 8.360 nan 0.000 0.460 34 R N 0.607 120.886 120.500 -0.367 0.000 2.528 34 R HA 0.258 4.598 4.340 0.001 0.000 0.271 34 R C 0.537 176.694 176.300 -0.239 0.000 1.056 34 R CA -1.145 54.654 56.100 -0.500 0.000 1.117 34 R CB 0.486 30.468 30.300 -0.531 0.000 1.085 34 R HN 0.038 nan 8.270 nan 0.000 0.530 35 L N 1.521 122.629 121.223 -0.192 0.000 2.514 35 L HA -0.027 4.313 4.340 0.001 0.000 0.280 35 L C -0.322 176.496 176.870 -0.087 0.000 1.223 35 L CA 0.989 55.769 54.840 -0.100 0.000 0.864 35 L CB 0.139 42.157 42.059 -0.069 0.000 1.118 35 L HN 0.443 nan 8.230 nan 0.000 0.494 36 Q N 4.019 123.784 119.800 -0.058 0.000 2.413 36 Q HA 0.208 4.548 4.340 0.001 0.000 0.258 36 Q C -0.251 175.730 176.000 -0.031 0.000 1.037 36 Q CA -0.338 55.437 55.803 -0.046 0.000 0.764 36 Q CB 1.034 29.750 28.738 -0.038 0.000 1.217 36 Q HN 0.739 nan 8.270 nan 0.000 0.490 37 D N 2.074 122.456 120.400 -0.029 0.000 2.338 37 D HA -0.119 4.521 4.640 0.001 0.000 0.239 37 D C -0.504 175.788 176.300 -0.014 0.000 1.095 37 D CA 0.050 54.039 54.000 -0.018 0.000 0.888 37 D CB 0.153 40.942 40.800 -0.017 0.000 0.899 37 D HN 0.492 nan 8.370 nan 0.000 0.525 38 D N 0.267 120.658 120.400 -0.015 0.000 2.811 38 D HA -0.230 4.411 4.640 0.001 0.000 0.231 38 D C -0.093 176.201 176.300 -0.010 0.000 1.157 38 D CA 1.080 55.073 54.000 -0.011 0.000 0.716 38 D CB -1.811 38.985 40.800 -0.007 0.000 1.077 38 D HN 0.285 nan 8.370 nan 0.000 0.428 39 S N -2.778 112.915 115.700 -0.012 0.000 3.358 39 S HA -0.234 4.237 4.470 0.001 0.000 0.309 39 S C 0.349 174.945 174.600 -0.007 0.000 1.247 39 S CA 0.914 59.108 58.200 -0.011 0.000 0.961 39 S CB -0.813 62.382 63.200 -0.010 0.000 1.074 39 S HN 0.387 nan 8.310 nan 0.000 0.625 40 V N 2.078 121.988 119.914 -0.006 0.000 2.266 40 V HA 0.219 4.340 4.120 0.001 0.000 0.271 40 V C 0.414 176.507 176.094 -0.002 0.000 1.032 40 V CA -0.441 61.858 62.300 -0.003 0.000 0.806 40 V CB 1.109 32.932 31.823 -0.001 0.000 1.052 40 V HN 0.341 nan 8.190 nan 0.000 0.449 41 E N 2.960 123.159 120.200 -0.002 0.000 2.316 41 E HA 0.454 4.804 4.350 0.001 0.000 0.275 41 E C 0.286 176.888 176.600 0.003 0.000 1.029 41 E CA -0.025 56.375 56.400 -0.001 0.000 0.871 41 E CB 1.230 30.929 29.700 -0.001 0.000 1.022 41 E HN 0.773 nan 8.360 nan 0.000 0.418 42 T N -2.001 112.557 114.554 0.005 0.000 2.865 42 T HA 0.229 4.580 4.350 0.001 0.000 0.294 42 T C 1.006 175.713 174.700 0.011 0.000 1.119 42 T CA -0.877 61.228 62.100 0.009 0.000 1.007 42 T CB 0.992 69.868 68.868 0.012 0.000 1.225 42 T HN 0.105 nan 8.240 nan 0.000 0.515 43 V N 0.917 120.840 119.914 0.014 0.000 2.392 43 V HA -0.165 3.955 4.120 0.001 0.000 0.249 43 V C 2.878 178.982 176.094 0.017 0.000 1.059 43 V CA 2.527 64.837 62.300 0.016 0.000 1.051 43 V CB -1.554 30.281 31.823 0.020 0.000 0.658 43 V HN 1.082 nan 8.190 nan 0.000 0.455 44 T N -0.520 114.045 114.554 0.018 0.000 2.777 44 T HA -0.206 4.144 4.350 0.001 0.000 0.266 44 T C 2.157 176.864 174.700 0.011 0.000 1.040 44 T CA 1.858 63.969 62.100 0.017 0.000 1.141 44 T CB -0.339 68.541 68.868 0.020 0.000 0.868 44 T HN 0.539 nan 8.240 nan 0.000 0.444 45 S N 0.881 116.586 115.700 0.008 0.000 2.359 45 S HA -0.089 4.381 4.470 0.001 0.000 0.224 45 S C 2.073 176.673 174.600 -0.000 0.000 1.035 45 S CA 1.097 59.298 58.200 0.001 0.000 1.018 45 S CB -0.569 62.630 63.200 -0.001 0.000 0.876 45 S HN 0.474 nan 8.310 nan 0.000 0.448 46 I N 1.328 121.900 120.570 0.003 0.000 2.226 46 I HA -0.128 4.043 4.170 0.001 0.000 0.245 46 I C 2.723 178.844 176.117 0.008 0.000 1.100 46 I CA 1.312 62.614 61.300 0.004 0.000 1.374 46 I CB -0.362 37.642 38.000 0.006 0.000 1.057 46 I HN 0.306 nan 8.210 nan 0.000 0.413 47 E N 0.276 120.484 120.200 0.012 0.000 2.106 47 E HA -0.251 4.100 4.350 0.001 0.000 0.192 47 E C 2.062 178.672 176.600 0.018 0.000 0.984 47 E CA 1.033 57.443 56.400 0.017 0.000 0.806 47 E CB -0.247 29.467 29.700 0.022 0.000 0.750 47 E HN 0.404 nan 8.360 nan 0.000 0.458 48 Q N 0.687 120.495 119.800 0.013 0.000 2.297 48 Q HA 0.045 4.385 4.340 0.001 0.000 0.204 48 Q C 1.766 177.774 176.000 0.014 0.000 0.962 48 Q CA 1.279 57.091 55.803 0.015 0.000 0.879 48 Q CB -0.187 28.555 28.738 0.007 0.000 0.947 48 Q HN 0.182 nan 8.270 nan 0.000 0.462 49 A N 0.596 123.418 122.820 0.002 0.000 1.898 49 A HA -0.161 4.160 4.320 0.001 0.000 0.216 49 A C 1.924 179.510 177.584 0.004 0.000 1.181 49 A CA 1.490 53.522 52.037 -0.009 0.000 0.620 49 A CB -0.351 18.640 19.000 -0.015 0.000 0.819 49 A HN 0.388 nan 8.150 nan 0.000 0.442 50 K N -0.299 120.108 120.400 0.011 0.000 2.063 50 K HA -0.096 4.224 4.320 0.001 0.000 0.208 50 K C 1.890 178.506 176.600 0.027 0.000 1.048 50 K CA 1.496 57.793 56.287 0.016 0.000 0.928 50 K CB -0.442 32.068 32.500 0.016 0.000 0.713 50 K HN 0.309 nan 8.250 nan 0.000 0.442 51 V N 1.966 121.901 119.914 0.036 0.000 2.261 51 V HA -0.253 3.868 4.120 0.001 0.000 0.246 51 V C 2.060 178.204 176.094 0.084 0.000 1.047 51 V CA 1.848 64.177 62.300 0.049 0.000 1.015 51 V CB -0.491 31.362 31.823 0.051 0.000 0.642 51 V HN 0.342 nan 8.190 nan 0.000 0.446 52 E N -0.207 120.072 120.200 0.132 0.000 2.058 52 E HA -0.273 4.077 4.350 0.001 0.000 0.194 52 E C 2.344 179.099 176.600 0.257 0.000 0.997 52 E CA 1.337 57.924 56.400 0.311 0.000 0.801 52 E CB -0.255 29.516 29.700 0.118 0.000 0.746 52 E HN 0.555 nan 8.360 nan 0.000 0.450 53 E N 1.710 121.962 120.200 0.086 0.000 2.085 53 E HA -0.232 4.118 4.350 0.001 0.000 0.194 53 E C 1.758 178.387 176.600 0.048 0.000 0.994 53 E CA 1.350 57.781 56.400 0.051 0.000 0.801 53 E CB 0.098 29.806 29.700 0.013 0.000 0.743 53 E HN 0.212 nan 8.360 nan 0.000 0.453 54 K N 0.319 120.736 120.400 0.028 0.000 1.984 54 K HA -0.069 4.252 4.320 0.001 0.000 0.209 54 K C 2.208 178.770 176.600 -0.065 0.000 1.046 54 K CA 1.231 57.512 56.287 -0.009 0.000 0.934 54 K CB -0.227 32.266 32.500 -0.012 0.000 0.717 54 K HN 0.182 nan 8.250 nan 0.000 0.438 55 I N 1.965 122.473 120.570 -0.103 0.000 2.953 55 I HA -0.213 3.957 4.170 0.001 0.000 0.271 55 I C 2.285 178.115 176.117 -0.477 0.000 1.286 55 I CA 1.281 62.364 61.300 -0.362 0.000 1.449 55 I CB -0.972 36.771 38.000 -0.428 0.000 1.086 55 I HN 0.271 nan 8.210 nan 0.000 0.483 56 Q N 1.579 121.345 119.800 -0.058 0.000 2.096 56 Q HA -0.132 4.208 4.340 0.001 0.000 0.197 56 Q C 1.995 178.030 176.000 0.058 0.000 0.964 56 Q CA 1.490 57.370 55.803 0.129 0.000 0.838 56 Q CB -0.022 28.845 28.738 0.215 0.000 0.906 56 Q HN 0.492 nan 8.270 nan 0.000 0.444 57 E N -0.723 119.486 120.200 0.016 0.000 2.085 57 E HA -0.169 4.181 4.350 0.001 0.000 0.194 57 E C 1.950 178.566 176.600 0.026 0.000 0.994 57 E CA 1.531 57.953 56.400 0.037 0.000 0.801 57 E CB -0.060 29.652 29.700 0.021 0.000 0.743 57 E HN 0.191 nan 8.360 nan 0.000 0.453 58 V N 0.926 120.783 119.914 -0.096 0.000 2.231 58 V HA -0.279 3.841 4.120 0.001 0.000 0.248 58 V C 2.054 178.105 176.094 -0.070 0.000 1.054 58 V CA 1.890 64.106 62.300 -0.141 0.000 1.015 58 V CB -0.677 30.929 31.823 -0.362 0.000 0.638 58 V HN 0.189 nan 8.190 nan 0.000 0.444 59 F N 0.836 120.736 119.950 -0.084 0.000 2.216 59 F HA -0.103 4.425 4.527 0.001 0.000 0.300 59 F C 2.623 178.443 175.800 0.033 0.000 1.085 59 F CA 1.340 59.282 58.000 -0.097 0.000 1.326 59 F CB -1.250 37.719 39.000 -0.052 0.000 1.027 59 F HN 0.073 nan 8.300 nan 0.000 0.497 60 S N -0.585 115.274 115.700 0.265 0.000 2.461 60 S HA -0.097 4.373 4.470 0.001 0.000 0.228 60 S C 2.223 176.979 174.600 0.259 0.000 1.005 60 S CA 0.930 59.271 58.200 0.234 0.000 0.942 60 S CB -0.390 62.920 63.200 0.182 0.000 0.776 60 S HN 0.486 nan 8.310 nan 0.000 0.514 61 S N 0.422 116.295 115.700 0.288 0.000 2.387 61 S HA -0.026 4.445 4.470 0.001 0.000 0.226 61 S C 0.830 175.658 174.600 0.379 0.000 1.026 61 S CA 0.544 58.924 58.200 0.300 0.000 0.972 61 S CB -0.711 62.654 63.200 0.275 0.000 0.814 61 S HN 0.466 nan 8.310 nan 0.000 0.477 62 Y N 2.507 122.907 120.300 0.168 0.000 2.885 62 Y HA 0.446 4.997 4.550 0.001 0.000 0.380 62 Y C 0.642 176.661 175.900 0.199 0.000 1.064 62 Y CA -0.478 57.728 58.100 0.176 0.000 1.676 62 Y CB -0.753 37.798 38.460 0.153 0.000 1.633 62 Y HN 0.277 nan 8.280 nan 0.000 0.473 63 K N -0.446 120.165 120.400 0.352 0.000 3.413 63 K HA 0.144 4.465 4.320 0.001 0.000 0.180 63 K C -0.548 176.186 176.600 0.224 0.000 1.038 63 K CA 0.064 56.513 56.287 0.270 0.000 0.864 63 K CB 0.125 32.753 32.500 0.213 0.000 0.739 63 K HN 0.201 nan 8.250 nan 0.000 0.477 64 F N -0.413 119.615 119.950 0.130 0.000 3.106 64 F HA 0.312 4.839 4.527 0.001 0.000 0.390 64 F C -0.795 175.006 175.800 0.002 0.000 1.093 64 F CA -0.132 57.901 58.000 0.056 0.000 0.996 64 F CB 0.824 39.850 39.000 0.044 0.000 1.408 64 F HN -0.018 nan 8.300 nan 0.000 0.528 65 N N -0.227 118.561 118.700 0.145 0.000 3.261 65 N HA 0.362 5.102 4.740 0.001 0.000 0.248 65 N C -1.704 173.853 175.510 0.079 0.000 1.498 65 N CA -0.084 52.974 53.050 0.014 0.000 0.884 65 N CB 1.467 40.003 38.487 0.081 0.000 1.428 65 N HN 0.194 nan 8.380 nan 0.000 0.517 66 H N -1.746 117.344 119.070 0.033 0.000 6.336 66 H HA 0.162 4.718 4.556 0.001 0.000 0.895 66 H C -0.980 174.361 175.328 0.023 0.000 1.981 66 H CA -0.213 55.856 56.048 0.034 0.000 1.394 66 H CB -1.527 28.274 29.762 0.066 0.000 4.722 66 H HN 0.287 nan 8.280 nan 0.000 0.696 67 L N 0.463 121.714 121.223 0.047 0.000 2.071 67 L HA 0.284 4.625 4.340 0.001 0.000 0.201 67 L C 1.373 178.268 176.870 0.041 0.000 1.076 67 L CA 1.276 56.125 54.840 0.015 0.000 0.755 67 L CB -0.411 41.644 42.059 -0.006 0.000 0.915 67 L HN 0.532 nan 8.230 nan 0.000 0.445 68 V N -4.872 115.067 119.914 0.041 0.000 3.417 68 V HA 0.587 4.707 4.120 0.001 0.000 0.297 68 V C -2.363 173.762 176.094 0.052 0.000 1.271 68 V CA -2.042 60.281 62.300 0.039 0.000 1.012 68 V CB -0.413 31.422 31.823 0.021 0.000 1.241 68 V HN -0.090 nan 8.190 nan 0.000 0.477 69 P HA 0.334 nan 4.420 nan 0.000 0.270 69 P C 0.028 177.361 177.300 0.055 0.000 1.242 69 P CA -0.136 62.995 63.100 0.052 0.000 0.768 69 P CB 0.290 32.015 31.700 0.041 0.000 0.820 70 R N 3.087 123.635 120.500 0.079 0.000 2.290 70 R HA 0.207 4.547 4.340 0.001 0.000 0.197 70 R C 0.108 176.485 176.300 0.129 0.000 0.913 70 R CA 0.048 56.193 56.100 0.074 0.000 1.040 70 R CB 0.072 30.411 30.300 0.064 0.000 0.992 70 R HN 0.301 nan 8.270 nan 0.000 0.500 71 L N 2.844 124.160 121.223 0.155 0.000 2.288 71 L HA 0.383 4.723 4.340 0.001 0.000 0.283 71 L C -0.945 175.993 176.870 0.115 0.000 1.072 71 L CA -0.799 54.150 54.840 0.181 0.000 0.862 71 L CB 1.678 43.836 42.059 0.165 0.000 1.245 71 L HN -0.057 nan 8.230 nan 0.000 0.432 72 V N 3.944 123.919 119.914 0.101 0.000 2.513 72 V HA 0.345 4.466 4.120 0.001 0.000 0.299 72 V C -0.083 176.052 176.094 0.070 0.000 1.035 72 V CA -0.747 61.593 62.300 0.065 0.000 0.889 72 V CB 2.512 34.356 31.823 0.035 0.000 0.988 72 V HN 0.456 nan 8.190 nan 0.000 0.440 73 L N 4.202 125.465 121.223 0.067 0.000 2.265 73 L HA 0.401 4.742 4.340 0.001 0.000 0.288 73 L C 0.842 177.742 176.870 0.048 0.000 1.058 73 L CA 0.216 55.118 54.840 0.103 0.000 0.809 73 L CB 1.103 43.224 42.059 0.103 0.000 1.179 73 L HN 0.611 nan 8.230 nan 0.000 0.429 74 Q N 5.116 124.887 119.800 -0.049 0.000 2.383 74 Q HA -0.001 4.339 4.340 0.001 0.000 0.210 74 Q C 1.099 176.928 176.000 -0.284 0.000 0.891 74 Q CA 0.095 55.718 55.803 -0.300 0.000 0.985 74 Q CB -0.416 27.967 28.738 -0.592 0.000 1.409 74 Q HN 0.665 nan 8.270 nan 0.000 0.391 75 R N 0.601 121.074 120.500 -0.045 0.000 2.265 75 R HA -0.281 4.059 4.340 0.001 0.000 0.256 75 R C 1.710 177.998 176.300 -0.021 0.000 1.120 75 R CA 2.198 58.300 56.100 0.002 0.000 0.956 75 R CB -0.311 29.966 30.300 -0.038 0.000 0.925 75 R HN 0.381 nan 8.270 nan 0.000 0.448 76 E N 0.554 120.696 120.200 -0.096 0.000 2.028 76 E HA -0.093 4.258 4.350 0.001 0.000 0.190 76 E C 1.881 178.288 176.600 -0.321 0.000 0.984 76 E CA 1.261 57.575 56.400 -0.144 0.000 0.800 76 E CB -0.021 29.608 29.700 -0.117 0.000 0.758 76 E HN 0.055 nan 8.360 nan 0.000 0.448 77 K N 0.114 120.355 120.400 -0.265 0.000 2.044 77 K HA -0.172 4.148 4.320 0.001 0.000 0.210 77 K C 2.104 178.642 176.600 -0.104 0.000 1.049 77 K CA 1.579 57.747 56.287 -0.198 0.000 0.927 77 K CB -0.714 31.656 32.500 -0.218 0.000 0.713 77 K HN 0.405 nan 8.250 nan 0.000 0.443 78 H N -0.944 118.128 119.070 0.003 0.000 2.456 78 H HA -0.101 4.456 4.556 0.001 0.000 0.296 78 H C 1.916 177.316 175.328 0.121 0.000 1.079 78 H CA 0.790 56.882 56.048 0.074 0.000 1.322 78 H CB -0.430 29.362 29.762 0.050 0.000 1.388 78 H HN 0.157 nan 8.280 nan 0.000 0.538 79 F N 1.854 121.798 119.950 -0.011 0.000 2.163 79 F HA -0.140 4.388 4.527 0.001 0.000 0.297 79 F C 2.402 178.203 175.800 0.002 0.000 1.094 79 F CA 1.120 59.092 58.000 -0.047 0.000 1.290 79 F CB -0.240 38.682 39.000 -0.130 0.000 1.017 79 F HN 0.110 nan 8.300 nan 0.000 0.483 80 H N -1.132 117.875 119.070 -0.106 0.000 2.290 80 H HA -0.223 4.333 4.556 0.001 0.000 0.298 80 H C 2.128 177.411 175.328 -0.074 0.000 1.087 80 H CA 1.977 57.905 56.048 -0.199 0.000 1.291 80 H CB -1.514 28.224 29.762 -0.041 0.000 1.369 80 H HN 0.311 nan 8.280 nan 0.000 0.492 81 Y N 1.977 122.297 120.300 0.033 0.000 2.002 81 Y HA -0.301 4.249 4.550 0.001 0.000 0.268 81 Y C 2.652 178.614 175.900 0.103 0.000 1.177 81 Y CA 1.573 59.692 58.100 0.032 0.000 1.111 81 Y CB -0.935 37.509 38.460 -0.026 0.000 0.952 81 Y HN 0.030 nan 8.280 nan 0.000 0.491 82 L N -0.046 121.192 121.223 0.024 0.000 1.948 82 L HA -0.282 4.059 4.340 0.001 0.000 0.212 82 L C 2.548 179.352 176.870 -0.110 0.000 1.074 82 L CA 2.047 56.883 54.840 -0.006 0.000 0.753 82 L CB -1.049 41.021 42.059 0.019 0.000 0.888 82 L HN 0.109 nan 8.230 nan 0.000 0.432 83 K N 0.060 120.287 120.400 -0.290 0.000 2.137 83 K HA -0.332 3.988 4.320 0.001 0.000 0.216 83 K C 2.350 178.827 176.600 -0.206 0.000 1.052 83 K CA 2.382 58.440 56.287 -0.381 0.000 0.939 83 K CB -0.152 31.828 32.500 -0.866 0.000 0.724 83 K HN 0.170 nan 8.250 nan 0.000 0.465 84 R N -0.853 119.566 120.500 -0.134 0.000 2.052 84 R HA -0.050 4.290 4.340 0.001 0.000 0.226 84 R C 2.420 178.659 176.300 -0.102 0.000 1.145 84 R CA 1.398 57.452 56.100 -0.078 0.000 0.952 84 R CB -0.597 29.701 30.300 -0.004 0.000 0.847 84 R HN 0.381 nan 8.270 nan 0.000 0.431 85 G N 1.499 110.250 108.800 -0.082 0.000 2.485 85 G HA2 -0.274 3.687 3.960 0.001 0.000 0.221 85 G HA3 -0.274 3.687 3.960 0.001 0.000 0.221 85 G C 1.259 175.906 174.900 -0.422 0.000 1.115 85 G CA 0.705 45.632 45.100 -0.288 0.000 0.751 85 G HN 0.320 nan 8.290 nan 0.000 0.567 86 L N -0.473 120.558 121.223 -0.320 0.000 2.362 86 L HA 0.243 4.583 4.340 0.001 0.000 0.219 86 L C 2.357 179.084 176.870 -0.239 0.000 1.134 86 L CA 1.488 56.158 54.840 -0.284 0.000 0.807 86 L CB -0.081 41.860 42.059 -0.198 0.000 0.927 86 L HN 0.144 nan 8.230 nan 0.000 0.447 87 R N -0.928 119.451 120.500 -0.201 0.000 2.316 87 R HA 0.298 4.638 4.340 0.001 0.000 0.201 87 R C -0.164 176.038 176.300 -0.165 0.000 0.888 87 R CA 0.248 56.248 56.100 -0.167 0.000 1.041 87 R CB 0.382 30.611 30.300 -0.119 0.000 1.115 87 R HN 0.508 nan 8.270 nan 0.000 0.559 88 Q N -0.067 119.634 119.800 -0.166 0.000 2.468 88 Q HA 0.284 4.624 4.340 0.001 0.000 0.263 88 Q C -1.900 174.024 176.000 -0.126 0.000 0.979 88 Q CA -0.524 55.199 55.803 -0.133 0.000 0.932 88 Q CB 1.031 29.718 28.738 -0.084 0.000 1.462 88 Q HN 0.082 nan 8.270 nan 0.000 0.403 89 L N 2.257 123.414 121.223 -0.110 0.000 2.333 89 L HA 0.593 4.933 4.340 0.001 0.000 0.269 89 L C 0.793 177.690 176.870 0.044 0.000 1.010 89 L CA -0.825 53.972 54.840 -0.072 0.000 0.818 89 L CB 2.023 43.995 42.059 -0.144 0.000 1.306 89 L HN 0.925 nan 8.230 nan 0.000 0.430 90 T N -2.939 111.696 114.554 0.134 0.000 2.619 90 T HA -0.057 4.293 4.350 0.001 0.000 0.330 90 T C 0.881 175.674 174.700 0.155 0.000 1.037 90 T CA 0.105 62.293 62.100 0.147 0.000 1.005 90 T CB 0.373 69.354 68.868 0.188 0.000 1.084 90 T HN 0.817 nan 8.240 nan 0.000 0.521 91 D N -0.528 119.941 120.400 0.116 0.000 2.363 91 D HA 0.052 4.692 4.640 0.001 0.000 0.226 91 D C 1.858 178.223 176.300 0.109 0.000 1.020 91 D CA 0.661 54.718 54.000 0.096 0.000 0.892 91 D CB -0.476 40.361 40.800 0.061 0.000 0.900 91 D HN 0.631 nan 8.370 nan 0.000 0.531 92 A N 0.793 123.700 122.820 0.145 0.000 1.828 92 A HA -0.171 4.149 4.320 0.001 0.000 0.215 92 A C 0.850 178.469 177.584 0.059 0.000 1.203 92 A CA 0.741 52.828 52.037 0.082 0.000 0.614 92 A CB -1.453 17.596 19.000 0.082 0.000 0.844 92 A HN 0.270 nan 8.150 nan 0.000 0.445 93 Y N 1.091 121.453 120.300 0.103 0.000 3.040 93 Y HA 0.157 4.707 4.550 0.001 0.000 0.356 93 Y C 1.440 177.390 175.900 0.083 0.000 1.096 93 Y CA 0.807 58.977 58.100 0.118 0.000 2.058 93 Y CB -0.615 37.934 38.460 0.148 0.000 2.215 93 Y HN 0.594 nan 8.280 nan 0.000 0.404 94 E N -0.391 119.893 120.200 0.140 0.000 2.447 94 E HA -0.032 4.318 4.350 0.001 0.000 0.204 94 E C 1.498 178.150 176.600 0.087 0.000 0.977 94 E CA 0.571 57.033 56.400 0.104 0.000 0.950 94 E CB 0.135 29.879 29.700 0.072 0.000 0.975 94 E HN 0.683 nan 8.360 nan 0.000 0.496 95 C N -0.264 119.083 119.300 0.079 0.000 2.618 95 C HA 0.340 4.801 4.460 0.001 0.000 0.264 95 C C 1.727 176.779 174.990 0.103 0.000 1.334 95 C CA -0.499 58.561 59.018 0.070 0.000 1.731 95 C CB -0.949 26.818 27.740 0.044 0.000 1.852 95 C HN 0.278 nan 8.230 nan 0.000 0.566 96 L N 1.471 122.784 121.223 0.149 0.000 2.628 96 L HA 0.113 4.453 4.340 0.001 0.000 0.229 96 L C 2.082 179.042 176.870 0.151 0.000 1.137 96 L CA 0.617 55.574 54.840 0.195 0.000 0.909 96 L CB -0.528 41.722 42.059 0.318 0.000 1.137 96 L HN 0.308 nan 8.230 nan 0.000 0.470 97 D N 1.947 122.416 120.400 0.116 0.000 2.190 97 D HA -0.212 4.428 4.640 0.001 0.000 0.200 97 D C 1.375 177.722 176.300 0.078 0.000 0.992 97 D CA 1.445 55.498 54.000 0.088 0.000 0.854 97 D CB 0.366 41.205 40.800 0.066 0.000 0.936 97 D HN 0.236 nan 8.370 nan 0.000 0.462 98 A N -0.975 121.888 122.820 0.071 0.000 3.106 98 A HA 0.559 4.879 4.320 0.001 0.000 0.306 98 A C 0.141 177.758 177.584 0.056 0.000 1.192 98 A CA -0.275 51.791 52.037 0.047 0.000 0.994 98 A CB 0.365 19.379 19.000 0.023 0.000 1.107 98 A HN 0.050 nan 8.150 nan 0.000 0.585 99 S N -1.088 114.668 115.700 0.094 0.000 2.952 99 S HA 0.113 4.583 4.470 0.001 0.000 0.238 99 S C 0.962 175.635 174.600 0.122 0.000 0.780 99 S CA -0.511 57.768 58.200 0.133 0.000 1.150 99 S CB -0.164 63.170 63.200 0.224 0.000 1.320 99 S HN 0.608 nan 8.310 nan 0.000 0.540 100 R N 1.887 122.448 120.500 0.101 0.000 2.096 100 R HA -0.030 4.310 4.340 0.001 0.000 0.235 100 R C -1.143 175.185 176.300 0.045 0.000 1.127 100 R CA 1.438 57.596 56.100 0.096 0.000 0.968 100 R CB -1.450 28.962 30.300 0.188 0.000 0.861 100 R HN 0.307 nan 8.270 nan 0.000 0.440 101 P HA -0.214 nan 4.420 nan 0.000 0.216 101 P C 0.457 177.611 177.300 -0.244 0.000 1.154 101 P CA 1.262 64.285 63.100 -0.129 0.000 0.865 101 P CB -0.120 31.419 31.700 -0.267 0.000 0.789 102 W N -0.475 120.600 121.300 -0.375 0.000 2.318 102 W HA -0.185 4.475 4.660 0.001 0.000 0.313 102 W C 2.223 178.218 176.519 -0.874 0.000 1.221 102 W CA 0.604 57.453 57.345 -0.828 0.000 1.266 102 W CB -1.021 27.672 29.460 -1.279 0.000 1.150 102 W HN -0.120 nan 8.180 nan 0.000 0.496 103 L N -0.924 120.136 121.223 -0.272 0.000 2.189 103 L HA -0.309 4.032 4.340 0.001 0.000 0.214 103 L C 2.180 178.966 176.870 -0.139 0.000 1.097 103 L CA 1.103 55.870 54.840 -0.121 0.000 0.764 103 L CB -0.875 41.108 42.059 -0.127 0.000 0.900 103 L HN 0.177 nan 8.230 nan 0.000 0.436 104 C N -1.948 117.276 119.300 -0.126 0.000 2.475 104 C HA -0.138 4.323 4.460 0.001 0.000 0.279 104 C C 2.659 177.615 174.990 -0.058 0.000 1.322 104 C CA 0.012 58.970 59.018 -0.100 0.000 1.734 104 C CB -0.591 27.112 27.740 -0.062 0.000 2.005 104 C HN 0.549 nan 8.230 nan 0.000 0.495 105 Y N 0.685 120.881 120.300 -0.172 0.000 2.130 105 Y HA -0.114 4.436 4.550 0.001 0.000 0.287 105 Y C 2.348 178.314 175.900 0.110 0.000 1.124 105 Y CA 1.401 59.437 58.100 -0.107 0.000 1.118 105 Y CB -0.665 37.663 38.460 -0.221 0.000 0.994 105 Y HN 0.319 nan 8.280 nan 0.000 0.497 106 W N 0.860 122.156 121.300 -0.007 0.000 2.305 106 W HA -0.267 4.394 4.660 0.001 0.000 0.308 106 W C 2.383 178.805 176.519 -0.161 0.000 1.226 106 W CA 1.539 58.814 57.345 -0.116 0.000 1.253 106 W CB -1.276 28.284 29.460 0.168 0.000 1.146 106 W HN 0.237 nan 8.180 nan 0.000 0.507 107 I N -0.488 120.157 120.570 0.125 0.000 2.233 107 I HA -0.268 3.903 4.170 0.001 0.000 0.243 107 I C 2.386 178.469 176.117 -0.056 0.000 1.093 107 I CA 1.038 62.346 61.300 0.012 0.000 1.380 107 I CB -0.815 37.117 38.000 -0.113 0.000 1.067 107 I HN -0.173 nan 8.210 nan 0.000 0.413 108 L N -0.058 121.111 121.223 -0.090 0.000 2.201 108 L HA -0.230 4.110 4.340 0.001 0.000 0.212 108 L C 2.628 179.431 176.870 -0.112 0.000 1.105 108 L CA 1.240 56.026 54.840 -0.090 0.000 0.775 108 L CB -0.715 41.295 42.059 -0.082 0.000 0.913 108 L HN 0.347 nan 8.230 nan 0.000 0.440 109 H N -0.783 118.101 119.070 -0.312 0.000 2.448 109 H HA -0.024 4.533 4.556 0.001 0.000 0.292 109 H C 2.334 177.511 175.328 -0.252 0.000 1.035 109 H CA 1.345 57.182 56.048 -0.352 0.000 1.349 109 H CB 0.297 29.645 29.762 -0.691 0.000 1.425 109 H HN 0.072 nan 8.280 nan 0.000 0.539 110 S N -0.083 115.465 115.700 -0.254 0.000 2.406 110 S HA -0.035 4.436 4.470 0.001 0.000 0.228 110 S C 2.151 176.655 174.600 -0.161 0.000 1.020 110 S CA 0.911 58.971 58.200 -0.234 0.000 0.965 110 S CB -0.090 63.041 63.200 -0.115 0.000 0.798 110 S HN 0.361 nan 8.310 nan 0.000 0.488 111 L N 1.208 122.375 121.223 -0.093 0.000 2.056 111 L HA -0.089 4.252 4.340 0.001 0.000 0.207 111 L C 2.666 179.490 176.870 -0.075 0.000 1.078 111 L CA 1.246 56.077 54.840 -0.015 0.000 0.749 111 L CB -0.504 41.572 42.059 0.028 0.000 0.901 111 L HN 0.380 nan 8.230 nan 0.000 0.433 112 E N 0.837 120.954 120.200 -0.138 0.000 2.012 112 E HA -0.247 4.104 4.350 0.001 0.000 0.197 112 E C 2.359 178.850 176.600 -0.182 0.000 1.007 112 E CA 1.440 57.751 56.400 -0.149 0.000 0.816 112 E CB -0.097 29.499 29.700 -0.173 0.000 0.762 112 E HN 0.353 nan 8.360 nan 0.000 0.451 113 L N 0.585 121.622 121.223 -0.311 0.000 1.956 113 L HA -0.263 4.077 4.340 0.001 0.000 0.216 113 L C 2.747 179.524 176.870 -0.154 0.000 1.073 113 L CA 1.300 55.980 54.840 -0.267 0.000 0.762 113 L CB -0.518 41.317 42.059 -0.373 0.000 0.889 113 L HN 0.304 nan 8.230 nan 0.000 0.433 114 L N -0.659 120.485 121.223 -0.132 0.000 2.450 114 L HA -0.218 4.123 4.340 0.001 0.000 0.225 114 L C 0.501 177.323 176.870 -0.081 0.000 1.145 114 L CA 0.693 55.489 54.840 -0.074 0.000 0.801 114 L CB -0.466 41.580 42.059 -0.022 0.000 0.924 114 L HN 0.454 nan 8.230 nan 0.000 0.447 115 D N 0.843 121.191 120.400 -0.088 0.000 2.800 115 D HA -0.139 4.502 4.640 0.001 0.000 0.248 115 D C -0.475 175.757 176.300 -0.113 0.000 1.091 115 D CA 0.447 54.396 54.000 -0.085 0.000 0.746 115 D CB -0.309 40.449 40.800 -0.070 0.000 1.062 115 D HN 0.297 nan 8.370 nan 0.000 0.431 116 E N 1.535 121.677 120.200 -0.098 0.000 2.176 116 E HA 0.425 4.775 4.350 0.001 0.000 0.267 116 E C -1.937 174.640 176.600 -0.038 0.000 0.893 116 E CA -1.514 54.817 56.400 -0.116 0.000 0.761 116 E CB 1.825 31.482 29.700 -0.072 0.000 1.133 116 E HN 0.228 nan 8.360 nan 0.000 0.409 117 P HA 0.253 nan 4.420 nan 0.000 0.272 117 P C -0.331 176.974 177.300 0.010 0.000 1.230 117 P CA -0.497 62.591 63.100 -0.019 0.000 0.788 117 P CB 0.872 32.557 31.700 -0.025 0.000 0.949 118 I N 3.310 123.878 120.570 -0.004 0.000 2.312 118 I HA 0.279 4.450 4.170 0.001 0.000 0.290 118 I C -2.041 174.071 176.117 -0.008 0.000 1.008 118 I CA -2.542 58.757 61.300 -0.002 0.000 1.226 118 I CB 0.196 38.181 38.000 -0.025 0.000 1.371 118 I HN 0.171 nan 8.210 nan 0.000 0.468 119 P HA 0.009 nan 4.420 nan 0.000 0.260 119 P C 0.410 177.699 177.300 -0.017 0.000 1.185 119 P CA 0.024 63.122 63.100 -0.003 0.000 0.763 119 P CB 0.347 32.050 31.700 0.004 0.000 0.776 120 Q N 2.122 121.910 119.800 -0.020 0.000 2.389 120 Q HA -0.190 4.151 4.340 0.001 0.000 0.213 120 Q C 1.467 177.450 176.000 -0.027 0.000 0.989 120 Q CA 1.238 57.024 55.803 -0.028 0.000 0.891 120 Q CB -0.348 28.375 28.738 -0.026 0.000 0.923 120 Q HN 0.603 nan 8.270 nan 0.000 0.455 121 I N -0.482 120.076 120.570 -0.022 0.000 2.235 121 I HA -0.206 3.964 4.170 0.001 0.000 0.241 121 I C 2.192 178.293 176.117 -0.026 0.000 1.085 121 I CA 0.609 61.897 61.300 -0.021 0.000 1.378 121 I CB -0.276 37.714 38.000 -0.016 0.000 1.076 121 I HN -0.024 nan 8.210 nan 0.000 0.415 122 V N 1.473 121.370 119.914 -0.028 0.000 2.324 122 V HA -0.355 3.765 4.120 0.001 0.000 0.250 122 V C 2.751 178.821 176.094 -0.041 0.000 1.060 122 V CA 2.079 64.356 62.300 -0.037 0.000 1.042 122 V CB -1.373 30.428 31.823 -0.037 0.000 0.650 122 V HN 0.508 nan 8.190 nan 0.000 0.450 123 A N 0.160 122.955 122.820 -0.043 0.000 1.851 123 A HA -0.258 4.062 4.320 0.001 0.000 0.216 123 A C 2.430 179.988 177.584 -0.043 0.000 1.195 123 A CA 2.743 54.749 52.037 -0.053 0.000 0.622 123 A CB -1.229 17.732 19.000 -0.065 0.000 0.831 123 A HN 0.502 nan 8.150 nan 0.000 0.444 124 T N 0.477 115.009 114.554 -0.036 0.000 2.720 124 T HA -0.154 4.196 4.350 0.001 0.000 0.268 124 T C 1.506 176.201 174.700 -0.008 0.000 1.037 124 T CA 1.535 63.621 62.100 -0.023 0.000 1.144 124 T CB -0.528 68.329 68.868 -0.019 0.000 0.864 124 T HN 0.507 nan 8.240 nan 0.000 0.444 125 D N 0.866 121.258 120.400 -0.012 0.000 2.123 125 D HA -0.083 4.557 4.640 0.001 0.000 0.196 125 D C 2.270 178.582 176.300 0.020 0.000 0.992 125 D CA 0.884 54.883 54.000 -0.003 0.000 0.833 125 D CB -0.471 40.314 40.800 -0.026 0.000 0.954 125 D HN 0.243 nan 8.370 nan 0.000 0.455 126 V N 0.980 120.895 119.914 0.002 0.000 2.358 126 V HA -0.228 3.893 4.120 0.001 0.000 0.246 126 V C 2.767 178.892 176.094 0.052 0.000 1.047 126 V CA 1.168 63.484 62.300 0.025 0.000 1.035 126 V CB -0.486 31.322 31.823 -0.024 0.000 0.658 126 V HN 0.281 nan 8.190 nan 0.000 0.452 127 C N -0.385 118.922 119.300 0.011 0.000 2.425 127 C HA -0.185 4.276 4.460 0.001 0.000 0.277 127 C C 2.809 177.822 174.990 0.039 0.000 1.280 127 C CA 0.882 59.904 59.018 0.007 0.000 1.744 127 C CB -1.133 26.596 27.740 -0.017 0.000 1.989 127 C HN 0.602 nan 8.230 nan 0.000 0.491 128 Q N -0.784 119.046 119.800 0.051 0.000 2.167 128 Q HA -0.160 4.180 4.340 0.001 0.000 0.202 128 Q C 1.999 178.060 176.000 0.102 0.000 0.970 128 Q CA 1.349 57.188 55.803 0.061 0.000 0.855 128 Q CB -0.280 28.490 28.738 0.054 0.000 0.911 128 Q HN 0.753 nan 8.270 nan 0.000 0.438 129 F N 1.356 121.292 119.950 -0.023 0.000 2.060 129 F HA -0.143 4.384 4.527 0.001 0.000 0.295 129 F C 1.801 177.602 175.800 0.002 0.000 1.120 129 F CA 1.188 59.174 58.000 -0.023 0.000 1.205 129 F CB -0.393 38.580 39.000 -0.045 0.000 0.986 129 F HN -0.073 nan 8.300 nan 0.000 0.470 130 L N 0.243 121.415 121.223 -0.087 0.000 2.129 130 L HA -0.252 4.089 4.340 0.001 0.000 0.212 130 L C 2.381 179.253 176.870 0.002 0.000 1.087 130 L CA 1.752 56.518 54.840 -0.123 0.000 0.757 130 L CB -0.882 41.135 42.059 -0.070 0.000 0.896 130 L HN 0.213 nan 8.230 nan 0.000 0.434 131 E N 0.789 120.987 120.200 -0.004 0.000 2.097 131 E HA -0.221 4.130 4.350 0.001 0.000 0.196 131 E C 2.095 178.644 176.600 -0.084 0.000 1.000 131 E CA 1.448 57.847 56.400 -0.001 0.000 0.804 131 E CB -0.210 29.491 29.700 0.002 0.000 0.740 131 E HN 0.462 nan 8.360 nan 0.000 0.454 132 L N -0.651 120.480 121.223 -0.154 0.000 2.217 132 L HA -0.104 4.237 4.340 0.001 0.000 0.211 132 L C 2.402 179.133 176.870 -0.232 0.000 1.107 132 L CA 0.556 55.288 54.840 -0.180 0.000 0.783 132 L CB -0.237 41.714 42.059 -0.181 0.000 0.919 132 L HN 0.304 nan 8.230 nan 0.000 0.442 133 C N -0.970 118.152 119.300 -0.297 0.000 2.500 133 C HA -0.097 4.364 4.460 0.001 0.000 0.279 133 C C 1.642 176.509 174.990 -0.205 0.000 1.288 133 C CA -0.489 58.389 59.018 -0.234 0.000 1.710 133 C CB -0.695 26.922 27.740 -0.206 0.000 2.052 133 C HN 0.446 nan 8.230 nan 0.000 0.488 134 Q N 2.058 121.698 119.800 -0.267 0.000 2.478 134 Q HA -0.056 4.285 4.340 0.001 0.000 0.323 134 Q C 0.276 176.026 176.000 -0.417 0.000 1.087 134 Q CA 0.268 55.683 55.803 -0.646 0.000 1.056 134 Q CB 0.402 28.724 28.738 -0.694 0.000 1.018 134 Q HN 0.566 nan 8.270 nan 0.000 0.387 135 S N 5.135 120.573 115.700 -0.437 0.000 2.564 135 S HA 0.221 4.692 4.470 0.001 0.000 0.278 135 S C -1.589 172.867 174.600 -0.241 0.000 1.333 135 S CA -1.279 56.750 58.200 -0.285 0.000 1.048 135 S CB 0.802 63.822 63.200 -0.300 0.000 0.900 135 S HN 0.681 nan 8.310 nan 0.000 0.505 136 P HA 0.064 nan 4.420 nan 0.000 0.250 136 P C -0.411 176.833 177.300 -0.093 0.000 1.239 136 P CA 0.632 63.667 63.100 -0.108 0.000 0.756 136 P CB -0.006 31.652 31.700 -0.070 0.000 1.013 137 D N -0.930 119.398 120.400 -0.121 0.000 2.562 137 D HA 0.262 4.902 4.640 0.001 0.000 0.246 137 D C 0.878 177.122 176.300 -0.093 0.000 1.347 137 D CA 0.250 54.205 54.000 -0.074 0.000 0.800 137 D CB 1.255 42.032 40.800 -0.038 0.000 1.111 137 D HN 0.160 nan 8.370 nan 0.000 0.508 138 G N 0.359 109.036 108.800 -0.204 0.000 2.629 138 G HA2 0.418 4.379 3.960 0.001 0.000 0.686 138 G HA3 0.418 4.379 3.960 0.001 0.000 0.686 138 G C 0.265 174.827 174.900 -0.563 0.000 1.232 138 G CA -0.317 44.635 45.100 -0.247 0.000 0.803 138 G HN 0.771 nan 8.290 nan 0.000 0.638 139 G N -1.028 107.493 108.800 -0.465 0.000 2.814 139 G HA2 0.333 4.293 3.960 0.001 0.000 0.677 139 G HA3 0.333 4.293 3.960 0.001 0.000 0.677 139 G C -0.411 174.131 174.900 -0.596 0.000 1.429 139 G CA 0.192 45.024 45.100 -0.447 0.000 0.868 139 G HN 1.766 nan 8.290 nan 0.000 0.553 140 F N 0.377 120.210 119.950 -0.194 0.000 2.538 140 F HA 0.726 5.253 4.527 0.001 0.000 0.325 140 F C 1.147 176.867 175.800 -0.133 0.000 1.066 140 F CA 0.181 58.077 58.000 -0.173 0.000 0.946 140 F CB 2.005 40.901 39.000 -0.172 0.000 1.199 140 F HN 0.793 nan 8.300 nan 0.000 0.473 141 G N -0.131 108.678 108.800 0.015 0.000 2.531 141 G HA2 0.434 4.395 3.960 0.001 0.000 0.313 141 G HA3 0.434 4.395 3.960 0.001 0.000 0.313 141 G C 0.896 175.783 174.900 -0.022 0.000 1.238 141 G CA -0.374 44.722 45.100 -0.006 0.000 0.994 141 G HN 0.892 nan 8.290 nan 0.000 0.493 142 G N -1.427 107.356 108.800 -0.028 0.000 2.448 142 G HA2 0.381 4.341 3.960 0.001 0.000 0.219 142 G HA3 0.381 4.341 3.960 0.001 0.000 0.219 142 G C 0.771 175.679 174.900 0.014 0.000 1.127 142 G CA 1.383 46.472 45.100 -0.019 0.000 0.766 142 G HN 1.261 nan 8.290 nan 0.000 0.552 143 G N -1.580 107.209 108.800 -0.019 0.000 2.554 143 G HA2 0.504 4.465 3.960 0.001 0.000 0.306 143 G HA3 0.504 4.465 3.960 0.001 0.000 0.306 143 G C -3.374 171.456 174.900 -0.117 0.000 1.320 143 G CA -0.929 44.173 45.100 0.005 0.000 0.800 143 G HN -0.088 nan 8.290 nan 0.000 0.481 144 P HA 0.345 nan 4.420 nan 0.000 0.267 144 P C 0.701 177.950 177.300 -0.086 0.000 1.209 144 P CA 1.850 64.871 63.100 -0.132 0.000 0.763 144 P CB 0.924 32.600 31.700 -0.040 0.000 0.816 145 G N 1.804 110.541 108.800 -0.106 0.000 2.212 145 G HA2 -0.230 3.730 3.960 0.001 0.000 0.255 145 G HA3 -0.230 3.730 3.960 0.001 0.000 0.255 145 G C -0.288 174.525 174.900 -0.145 0.000 1.062 145 G CA -0.399 44.638 45.100 -0.105 0.000 0.815 145 G HN 0.566 nan 8.290 nan 0.000 0.497 146 Q N -1.187 118.529 119.800 -0.139 0.000 2.394 146 Q HA 0.558 4.898 4.340 0.001 0.000 0.273 146 Q C -0.426 175.524 176.000 -0.083 0.000 1.089 146 Q CA -1.170 54.528 55.803 -0.174 0.000 0.812 146 Q CB 1.611 30.287 28.738 -0.103 0.000 1.353 146 Q HN 0.249 nan 8.270 nan 0.000 0.438 147 Y N 1.941 122.215 120.300 -0.043 0.000 2.683 147 Y HA 0.029 4.579 4.550 0.001 0.000 0.340 147 Y C -1.734 174.140 175.900 -0.043 0.000 1.245 147 Y CA -1.607 56.468 58.100 -0.042 0.000 1.485 147 Y CB -0.487 37.968 38.460 -0.008 0.000 1.328 147 Y HN 0.338 nan 8.280 nan 0.000 0.603 148 P HA 0.033 nan 4.420 nan 0.000 0.268 148 P C -0.593 176.812 177.300 0.174 0.000 1.205 148 P CA 0.566 63.604 63.100 -0.104 0.000 0.771 148 P CB 1.057 32.392 31.700 -0.609 0.000 0.858 149 H N 2.489 121.636 119.070 0.128 0.000 3.012 149 H HA 0.231 4.787 4.556 0.001 0.000 0.367 149 H C 0.271 175.763 175.328 0.273 0.000 1.211 149 H CA -0.656 55.559 56.048 0.278 0.000 1.139 149 H CB 1.459 31.327 29.762 0.176 0.000 1.838 149 H HN 0.203 nan 8.280 nan 0.000 0.550 150 L N 2.050 123.531 121.223 0.430 0.000 2.418 150 L HA 0.068 4.408 4.340 0.001 0.000 0.218 150 L C 2.337 179.424 176.870 0.362 0.000 1.125 150 L CA 1.006 56.056 54.840 0.350 0.000 0.835 150 L CB -0.346 41.801 42.059 0.148 0.000 0.953 150 L HN 0.622 nan 8.230 nan 0.000 0.454 151 A N 1.545 124.733 122.820 0.613 0.000 1.841 151 A HA -0.060 4.260 4.320 0.001 0.000 0.214 151 A C -0.072 177.446 177.584 -0.109 0.000 1.195 151 A CA 1.277 53.501 52.037 0.312 0.000 0.611 151 A CB -1.739 17.486 19.000 0.375 0.000 0.835 151 A HN 0.246 nan 8.150 nan 0.000 0.443 152 P HA -0.084 nan 4.420 nan 0.000 0.223 152 P C 1.021 178.162 177.300 -0.264 0.000 1.151 152 P CA 1.562 64.463 63.100 -0.332 0.000 0.787 152 P CB -0.268 31.341 31.700 -0.152 0.000 0.788 153 T N -1.162 113.373 114.554 -0.032 0.000 2.942 153 T HA -0.139 4.211 4.350 0.001 0.000 0.265 153 T C 1.690 176.305 174.700 -0.141 0.000 1.062 153 T CA 0.850 62.979 62.100 0.050 0.000 1.139 153 T CB -0.921 68.102 68.868 0.259 0.000 0.883 153 T HN 0.102 nan 8.240 nan 0.000 0.468 154 Y N 2.096 122.229 120.300 -0.279 0.000 2.373 154 Y HA 0.273 4.823 4.550 0.001 0.000 0.293 154 Y C 2.359 177.924 175.900 -0.559 0.000 1.129 154 Y CA 0.367 58.254 58.100 -0.354 0.000 1.226 154 Y CB -0.579 37.693 38.460 -0.314 0.000 1.000 154 Y HN 0.155 nan 8.280 nan 0.000 0.549 155 A N 0.921 123.186 122.820 -0.925 0.000 1.872 155 A HA 0.014 4.334 4.320 0.001 0.000 0.214 155 A C 2.447 179.583 177.584 -0.746 0.000 1.187 155 A CA 1.663 53.016 52.037 -1.141 0.000 0.614 155 A CB -1.504 16.688 19.000 -1.347 0.000 0.826 155 A HN 0.580 nan 8.150 nan 0.000 0.442 156 A N -0.268 122.123 122.820 -0.716 0.000 1.834 156 A HA -0.091 4.229 4.320 0.001 0.000 0.216 156 A C 2.192 179.395 177.584 -0.634 0.000 1.203 156 A CA 2.159 53.722 52.037 -0.791 0.000 0.621 156 A CB -1.358 16.697 19.000 -1.574 0.000 0.841 156 A HN 0.530 nan 8.150 nan 0.000 0.446 157 V N 0.710 120.256 119.914 -0.613 0.000 2.317 157 V HA -0.336 3.784 4.120 0.001 0.000 0.251 157 V C 2.370 178.299 176.094 -0.275 0.000 1.065 157 V CA 2.559 64.660 62.300 -0.332 0.000 1.049 157 V CB -1.276 30.420 31.823 -0.210 0.000 0.651 157 V HN 0.643 nan 8.190 nan 0.000 0.450 158 N N 0.049 118.490 118.700 -0.432 0.000 2.106 158 N HA -0.091 4.649 4.740 0.001 0.000 0.188 158 N C 1.840 177.292 175.510 -0.097 0.000 1.029 158 N CA 1.575 54.424 53.050 -0.336 0.000 0.848 158 N CB -0.498 37.532 38.487 -0.760 0.000 1.007 158 N HN 0.453 nan 8.380 nan 0.000 0.423 159 A N 0.294 123.050 122.820 -0.106 0.000 1.933 159 A HA -0.067 4.253 4.320 0.001 0.000 0.218 159 A C 2.149 179.676 177.584 -0.094 0.000 1.175 159 A CA 0.999 53.013 52.037 -0.037 0.000 0.628 159 A CB -0.691 18.261 19.000 -0.080 0.000 0.814 159 A HN 0.280 nan 8.150 nan 0.000 0.444 160 L N -1.194 119.943 121.223 -0.143 0.000 2.156 160 L HA -0.172 4.169 4.340 0.001 0.000 0.208 160 L C 2.367 179.158 176.870 -0.132 0.000 1.095 160 L CA 0.774 55.534 54.840 -0.134 0.000 0.770 160 L CB -0.415 41.579 42.059 -0.108 0.000 0.914 160 L HN 0.460 nan 8.230 nan 0.000 0.439 161 C N -0.446 118.830 119.300 -0.040 0.000 2.468 161 C HA -0.000 4.460 4.460 0.001 0.000 0.277 161 C C 2.644 177.634 174.990 -0.001 0.000 1.400 161 C CA 0.023 59.070 59.018 0.049 0.000 1.770 161 C CB -0.538 27.263 27.740 0.102 0.000 1.905 161 C HN 0.422 nan 8.230 nan 0.000 0.519 162 I N 0.880 121.438 120.570 -0.020 0.000 2.233 162 I HA -0.164 4.007 4.170 0.001 0.000 0.243 162 I C 2.240 178.320 176.117 -0.063 0.000 1.093 162 I CA 1.738 63.035 61.300 -0.005 0.000 1.380 162 I CB -0.342 37.663 38.000 0.007 0.000 1.067 162 I HN 0.265 nan 8.210 nan 0.000 0.413 163 I N 0.966 121.465 120.570 -0.118 0.000 2.454 163 I HA -0.176 3.994 4.170 0.001 0.000 0.254 163 I C 1.742 177.710 176.117 -0.249 0.000 1.156 163 I CA 0.977 62.179 61.300 -0.163 0.000 1.433 163 I CB -0.993 36.903 38.000 -0.175 0.000 1.082 163 I HN 0.441 nan 8.210 nan 0.000 0.432 164 G N 2.522 111.089 108.800 -0.387 0.000 2.449 164 G HA2 -0.304 3.656 3.960 0.001 0.000 0.304 164 G HA3 -0.304 3.656 3.960 0.001 0.000 0.304 164 G C 0.402 174.964 174.900 -0.564 0.000 0.962 164 G CA 0.858 45.618 45.100 -0.566 0.000 0.943 164 G HN 0.541 nan 8.290 nan 0.000 0.514 165 T N -4.045 110.142 114.554 -0.612 0.000 2.945 165 T HA 0.620 4.970 4.350 0.001 0.000 0.286 165 T C 0.935 175.401 174.700 -0.390 0.000 1.025 165 T CA 0.068 61.967 62.100 -0.335 0.000 1.039 165 T CB 2.225 70.971 68.868 -0.203 0.000 1.068 165 T HN 0.187 nan 8.240 nan 0.000 0.497 166 E N 0.087 120.200 120.200 -0.145 0.000 2.333 166 E HA -0.178 4.172 4.350 0.001 0.000 0.198 166 E C 1.733 178.307 176.600 -0.044 0.000 1.007 166 E CA 0.907 57.275 56.400 -0.052 0.000 0.845 166 E CB 0.084 29.764 29.700 -0.034 0.000 0.766 166 E HN 0.863 nan 8.360 nan 0.000 0.507 167 E N -0.082 120.064 120.200 -0.090 0.000 2.072 167 E HA -0.187 4.164 4.350 0.001 0.000 0.191 167 E C 1.902 178.464 176.600 -0.063 0.000 0.985 167 E CA 0.960 57.328 56.400 -0.053 0.000 0.801 167 E CB -0.096 29.568 29.700 -0.060 0.000 0.750 167 E HN 0.299 nan 8.360 nan 0.000 0.452 168 A N 0.416 123.129 122.820 -0.178 0.000 1.858 168 A HA -0.178 4.142 4.320 0.001 0.000 0.216 168 A C 1.960 179.507 177.584 -0.062 0.000 1.190 168 A CA 1.524 53.448 52.037 -0.189 0.000 0.617 168 A CB -1.083 17.697 19.000 -0.367 0.000 0.827 168 A HN 0.414 nan 8.150 nan 0.000 0.443 169 Y N 0.509 120.806 120.300 -0.005 0.000 2.193 169 Y HA -0.209 4.341 4.550 0.001 0.000 0.285 169 Y C 2.080 178.148 175.900 0.280 0.000 1.166 169 Y CA 1.476 59.640 58.100 0.106 0.000 1.181 169 Y CB -1.044 37.252 38.460 -0.274 0.000 0.976 169 Y HN 0.452 nan 8.280 nan 0.000 0.520 170 N N -0.623 118.262 118.700 0.308 0.000 2.521 170 N HA -0.041 4.700 4.740 0.001 0.000 0.188 170 N C 1.485 177.114 175.510 0.197 0.000 1.146 170 N CA 0.319 53.524 53.050 0.259 0.000 0.893 170 N CB 0.040 38.628 38.487 0.168 0.000 0.975 170 N HN 0.090 nan 8.380 nan 0.000 0.451 171 V N 1.468 121.493 119.914 0.184 0.000 2.427 171 V HA -0.090 4.031 4.120 0.001 0.000 0.248 171 V C 0.979 177.190 176.094 0.195 0.000 1.051 171 V CA 0.943 63.335 62.300 0.153 0.000 1.048 171 V CB -0.262 31.640 31.823 0.133 0.000 0.666 171 V HN 0.262 nan 8.190 nan 0.000 0.456 172 I N 2.088 122.815 120.570 0.261 0.000 2.517 172 I HA 0.061 4.231 4.170 0.001 0.000 0.285 172 I C 0.638 176.834 176.117 0.133 0.000 1.106 172 I CA 0.261 61.709 61.300 0.246 0.000 1.402 172 I CB -0.034 38.102 38.000 0.226 0.000 1.399 172 I HN 0.153 nan 8.210 nan 0.000 0.535 173 N N 7.365 126.093 118.700 0.046 0.000 2.807 173 N HA 0.104 4.844 4.740 0.001 0.000 0.259 173 N C 1.072 176.577 175.510 -0.010 0.000 1.149 173 N CA -0.117 52.936 53.050 0.005 0.000 1.042 173 N CB 0.361 38.817 38.487 -0.052 0.000 1.367 173 N HN 0.531 nan 8.380 nan 0.000 0.516 174 R N 1.186 121.681 120.500 -0.009 0.000 2.133 174 R HA -0.221 4.119 4.340 0.001 0.000 0.247 174 R C 0.967 177.258 176.300 -0.015 0.000 1.151 174 R CA 1.744 57.815 56.100 -0.049 0.000 0.971 174 R CB 0.126 30.376 30.300 -0.085 0.000 0.866 174 R HN 0.436 nan 8.270 nan 0.000 0.447 175 E N 0.765 120.966 120.200 0.001 0.000 2.007 175 E HA -0.129 4.221 4.350 0.001 0.000 0.194 175 E C 1.818 178.433 176.600 0.024 0.000 0.999 175 E CA 1.137 57.546 56.400 0.015 0.000 0.811 175 E CB -0.096 29.611 29.700 0.012 0.000 0.762 175 E HN 0.052 nan 8.360 nan 0.000 0.450 176 K N 0.422 120.825 120.400 0.005 0.000 2.281 176 K HA -0.105 4.215 4.320 0.001 0.000 0.203 176 K C 2.049 178.669 176.600 0.035 0.000 1.046 176 K CA 0.434 56.725 56.287 0.007 0.000 0.938 176 K CB -0.405 32.069 32.500 -0.044 0.000 0.737 176 K HN 0.121 nan 8.250 nan 0.000 0.458 177 L N 0.937 122.172 121.223 0.021 0.000 2.027 177 L HA -0.118 4.222 4.340 0.001 0.000 0.206 177 L C 2.051 178.988 176.870 0.110 0.000 1.074 177 L CA 1.423 56.301 54.840 0.063 0.000 0.745 177 L CB -0.784 41.294 42.059 0.032 0.000 0.898 177 L HN 0.064 nan 8.230 nan 0.000 0.433 178 L N -0.527 120.739 121.223 0.071 0.000 2.141 178 L HA -0.160 4.180 4.340 0.001 0.000 0.209 178 L C 2.432 179.404 176.870 0.171 0.000 1.094 178 L CA 1.615 56.501 54.840 0.076 0.000 0.763 178 L CB -0.732 41.371 42.059 0.073 0.000 0.908 178 L HN 0.470 nan 8.230 nan 0.000 0.437 179 Q N -1.810 118.092 119.800 0.169 0.000 2.046 179 Q HA -0.254 4.087 4.340 0.001 0.000 0.200 179 Q C 2.144 178.258 176.000 0.191 0.000 0.975 179 Q CA 1.938 57.851 55.803 0.184 0.000 0.836 179 Q CB -0.577 28.223 28.738 0.104 0.000 0.896 179 Q HN 0.566 nan 8.270 nan 0.000 0.428 180 Y N 1.967 122.296 120.300 0.048 0.000 2.053 180 Y HA -0.289 4.261 4.550 0.001 0.000 0.277 180 Y C 1.944 177.880 175.900 0.059 0.000 1.159 180 Y CA 1.600 59.720 58.100 0.033 0.000 1.125 180 Y CB -0.581 37.881 38.460 0.004 0.000 0.969 180 Y HN 0.014 nan 8.280 nan 0.000 0.492 181 L N -1.340 119.832 121.223 -0.085 0.000 2.051 181 L HA -0.331 4.009 4.340 0.001 0.000 0.214 181 L C 2.295 179.111 176.870 -0.091 0.000 1.076 181 L CA 1.841 56.601 54.840 -0.134 0.000 0.758 181 L CB -0.977 41.035 42.059 -0.078 0.000 0.890 181 L HN 0.247 nan 8.230 nan 0.000 0.433 182 Y N 0.347 120.596 120.300 -0.085 0.000 2.333 182 Y HA -0.211 4.339 4.550 0.001 0.000 0.290 182 Y C 2.959 178.756 175.900 -0.172 0.000 1.144 182 Y CA 1.326 59.347 58.100 -0.132 0.000 1.228 182 Y CB -0.426 37.972 38.460 -0.103 0.000 0.985 182 Y HN 0.306 nan 8.280 nan 0.000 0.542 183 S N -1.345 114.338 115.700 -0.027 0.000 2.562 183 S HA 0.003 4.474 4.470 0.001 0.000 0.221 183 S C 1.460 175.960 174.600 -0.168 0.000 0.975 183 S CA 0.496 58.645 58.200 -0.084 0.000 0.918 183 S CB -0.489 62.680 63.200 -0.051 0.000 0.772 183 S HN 0.450 nan 8.310 nan 0.000 0.531 184 L N -0.331 120.754 121.223 -0.230 0.000 2.616 184 L HA 0.368 4.708 4.340 0.001 0.000 0.229 184 L C 0.819 177.510 176.870 -0.297 0.000 1.110 184 L CA -0.250 54.453 54.840 -0.228 0.000 0.884 184 L CB -0.094 41.845 42.059 -0.201 0.000 1.115 184 L HN 0.099 nan 8.230 nan 0.000 0.481 185 K N 1.319 121.480 120.400 -0.397 0.000 2.436 185 K HA 0.074 4.395 4.320 0.001 0.000 0.275 185 K C -0.215 176.132 176.600 -0.421 0.000 0.999 185 K CA 0.374 56.279 56.287 -0.637 0.000 0.980 185 K CB 0.501 32.681 32.500 -0.533 0.000 0.919 185 K HN -0.107 nan 8.250 nan 0.000 0.484 186 Q N 3.708 123.232 119.800 -0.461 0.000 2.348 186 Q HA 0.283 4.624 4.340 0.001 0.000 0.271 186 Q C -1.916 173.937 176.000 -0.245 0.000 1.067 186 Q CA -2.265 53.354 55.803 -0.308 0.000 0.839 186 Q CB 1.062 29.609 28.738 -0.318 0.000 1.354 186 Q HN 0.406 nan 8.270 nan 0.000 0.447 187 P HA -0.177 nan 4.420 nan 0.000 0.216 187 P C 0.458 177.707 177.300 -0.086 0.000 1.150 187 P CA 1.472 64.507 63.100 -0.109 0.000 0.843 187 P CB 0.237 31.891 31.700 -0.078 0.000 0.787 188 D N -1.581 118.767 120.400 -0.086 0.000 2.323 188 D HA 0.045 4.685 4.640 0.001 0.000 0.239 188 D C 1.038 177.329 176.300 -0.015 0.000 1.129 188 D CA 0.539 54.531 54.000 -0.014 0.000 0.865 188 D CB -0.895 39.935 40.800 0.051 0.000 0.913 188 D HN 0.211 nan 8.370 nan 0.000 0.517 189 G N 0.866 109.596 108.800 -0.117 0.000 2.176 189 G HA2 -0.260 3.700 3.960 0.001 0.000 0.252 189 G HA3 -0.260 3.700 3.960 0.001 0.000 0.252 189 G C 0.166 174.944 174.900 -0.203 0.000 1.024 189 G CA 0.441 45.476 45.100 -0.109 0.000 0.755 189 G HN 0.745 nan 8.290 nan 0.000 0.507 190 S N -1.017 114.385 115.700 -0.497 0.000 2.568 190 S HA 0.865 5.336 4.470 0.001 0.000 0.302 190 S C -0.618 173.631 174.600 -0.585 0.000 1.082 190 S CA -1.072 56.677 58.200 -0.752 0.000 1.009 190 S CB 2.186 64.494 63.200 -1.487 0.000 1.069 190 S HN 0.419 nan 8.310 nan 0.000 0.500 191 F N 0.851 120.545 119.950 -0.426 0.000 2.469 191 F HA 0.498 5.025 4.527 0.001 0.000 0.332 191 F C 0.200 175.824 175.800 -0.293 0.000 1.103 191 F CA -1.005 56.820 58.000 -0.292 0.000 0.979 191 F CB 1.224 40.110 39.000 -0.191 0.000 1.137 191 F HN 0.435 nan 8.300 nan 0.000 0.463 192 L N 3.498 124.653 121.223 -0.114 0.000 2.439 192 L HA 0.048 4.388 4.340 0.001 0.000 0.269 192 L C 1.508 178.291 176.870 -0.144 0.000 1.179 192 L CA -0.412 54.327 54.840 -0.168 0.000 0.828 192 L CB 0.626 42.563 42.059 -0.204 0.000 1.106 192 L HN 0.764 nan 8.230 nan 0.000 0.467 193 M N 1.838 121.319 119.600 -0.198 0.000 2.117 193 M HA -0.104 4.377 4.480 0.001 0.000 0.262 193 M C 0.336 176.439 176.300 -0.328 0.000 1.065 193 M CA 1.710 56.881 55.300 -0.214 0.000 1.114 193 M CB -0.287 32.221 32.600 -0.153 0.000 1.361 193 M HN 0.752 nan 8.290 nan 0.000 0.408 194 H N -5.353 113.570 119.070 -0.245 0.000 2.948 194 H HA 0.552 5.108 4.556 0.001 0.000 0.315 194 H C -1.038 174.265 175.328 -0.042 0.000 1.360 194 H CA -1.413 54.555 56.048 -0.132 0.000 1.125 194 H CB 0.205 29.893 29.762 -0.124 0.000 1.844 194 H HN -0.259 nan 8.280 nan 0.000 0.529 195 V N 1.798 121.846 119.914 0.223 0.000 2.458 195 V HA 0.290 4.410 4.120 0.001 0.000 0.287 195 V C 1.554 177.721 176.094 0.122 0.000 1.009 195 V CA 1.692 64.051 62.300 0.099 0.000 1.091 195 V CB -0.212 31.660 31.823 0.082 0.000 0.960 195 V HN 1.330 nan 8.190 nan 0.000 0.476 196 G N 3.868 112.655 108.800 -0.020 0.000 2.299 196 G HA2 -0.185 3.775 3.960 0.001 0.000 0.237 196 G HA3 -0.185 3.775 3.960 0.001 0.000 0.237 196 G C 0.705 175.535 174.900 -0.116 0.000 1.027 196 G CA 0.218 45.309 45.100 -0.015 0.000 0.619 196 G HN 1.285 nan 8.290 nan 0.000 0.513 197 G N -0.098 108.426 108.800 -0.459 0.000 2.466 197 G HA2 0.482 4.442 3.960 0.001 0.000 0.279 197 G HA3 0.482 4.442 3.960 0.001 0.000 0.279 197 G C 0.129 174.806 174.900 -0.372 0.000 1.410 197 G CA 0.557 45.177 45.100 -0.800 0.000 1.065 197 G HN 0.594 nan 8.290 nan 0.000 0.547 198 E N -2.308 117.725 120.200 -0.277 0.000 2.303 198 E HA 0.517 4.868 4.350 0.001 0.000 0.254 198 E C -0.704 175.817 176.600 -0.132 0.000 0.979 198 E CA -0.854 55.461 56.400 -0.142 0.000 0.843 198 E CB 2.153 31.823 29.700 -0.050 0.000 1.245 198 E HN 0.438 nan 8.360 nan 0.000 0.413 199 V N -0.435 119.423 119.914 -0.093 0.000 2.487 199 V HA 0.615 4.736 4.120 0.001 0.000 0.298 199 V C -1.362 174.741 176.094 0.015 0.000 1.028 199 V CA -0.772 61.462 62.300 -0.110 0.000 0.860 199 V CB 1.299 32.953 31.823 -0.281 0.000 0.991 199 V HN 0.729 nan 8.190 nan 0.000 0.427 200 D N 3.034 123.493 120.400 0.097 0.000 2.531 200 D HA 0.529 5.170 4.640 0.001 0.000 0.244 200 D C 0.862 177.407 176.300 0.408 0.000 1.090 200 D CA -0.601 53.573 54.000 0.291 0.000 0.989 200 D CB 1.730 42.679 40.800 0.250 0.000 1.433 200 D HN 0.218 nan 8.370 nan 0.000 0.492 201 V N 0.378 120.621 119.914 0.547 0.000 2.250 201 V HA -0.332 3.789 4.120 0.001 0.000 0.253 201 V C 2.659 178.962 176.094 0.349 0.000 1.065 201 V CA 2.631 65.251 62.300 0.535 0.000 1.039 201 V CB -0.812 31.178 31.823 0.277 0.000 0.647 201 V HN 0.724 nan 8.190 nan 0.000 0.446 202 R N 0.652 121.346 120.500 0.323 0.000 2.159 202 R HA -0.296 4.045 4.340 0.001 0.000 0.252 202 R C 2.537 178.936 176.300 0.166 0.000 1.144 202 R CA 2.443 58.677 56.100 0.224 0.000 0.961 202 R CB -0.516 29.883 30.300 0.164 0.000 0.877 202 R HN 0.753 nan 8.270 nan 0.000 0.444 203 S N -0.396 115.384 115.700 0.133 0.000 2.419 203 S HA -0.133 4.338 4.470 0.001 0.000 0.235 203 S C 2.042 176.616 174.600 -0.042 0.000 1.019 203 S CA 1.055 59.282 58.200 0.045 0.000 0.982 203 S CB -0.256 62.962 63.200 0.029 0.000 0.789 203 S HN 0.516 nan 8.310 nan 0.000 0.490 204 A N 1.179 124.024 122.820 0.042 0.000 1.854 204 A HA 0.048 4.369 4.320 0.001 0.000 0.214 204 A C 2.060 179.601 177.584 -0.072 0.000 1.192 204 A CA 1.300 53.330 52.037 -0.012 0.000 0.611 204 A CB -1.365 17.761 19.000 0.211 0.000 0.832 204 A HN 0.598 nan 8.150 nan 0.000 0.442 205 Y N 0.480 120.718 120.300 -0.103 0.000 2.241 205 Y HA -0.285 4.265 4.550 0.001 0.000 0.286 205 Y C 2.364 178.146 175.900 -0.197 0.000 1.166 205 Y CA 1.146 59.152 58.100 -0.157 0.000 1.203 205 Y CB -0.941 37.445 38.460 -0.124 0.000 0.977 205 Y HN 0.385 nan 8.280 nan 0.000 0.529 206 C N 0.082 119.196 119.300 -0.310 0.000 2.473 206 C HA -0.042 4.418 4.460 0.001 0.000 0.279 206 C C 3.102 177.932 174.990 -0.267 0.000 1.250 206 C CA 1.381 60.179 59.018 -0.367 0.000 1.713 206 C CB -1.639 26.019 27.740 -0.137 0.000 2.066 206 C HN 0.719 nan 8.230 nan 0.000 0.474 207 A N 0.544 123.165 122.820 -0.331 0.000 1.917 207 A HA -0.091 4.229 4.320 0.001 0.000 0.219 207 A C 2.291 179.788 177.584 -0.146 0.000 1.182 207 A CA 2.569 54.387 52.037 -0.366 0.000 0.633 207 A CB -0.981 17.379 19.000 -1.067 0.000 0.819 207 A HN 0.635 nan 8.150 nan 0.000 0.448 208 A N -0.957 121.711 122.820 -0.253 0.000 1.841 208 A HA -0.069 4.251 4.320 0.001 0.000 0.214 208 A C 2.488 179.999 177.584 -0.122 0.000 1.195 208 A CA 2.188 54.009 52.037 -0.361 0.000 0.611 208 A CB -1.266 17.378 19.000 -0.593 0.000 0.835 208 A HN 0.726 nan 8.150 nan 0.000 0.443 209 S N -0.639 114.988 115.700 -0.123 0.000 2.380 209 S HA -0.185 4.285 4.470 0.001 0.000 0.229 209 S C 1.907 176.586 174.600 0.133 0.000 1.043 209 S CA 2.104 60.361 58.200 0.095 0.000 1.038 209 S CB -0.592 62.526 63.200 -0.136 0.000 0.872 209 S HN 0.292 nan 8.310 nan 0.000 0.456 210 V N 1.709 121.646 119.914 0.039 0.000 2.283 210 V HA -0.012 4.108 4.120 0.001 0.000 0.243 210 V C 2.862 178.957 176.094 0.002 0.000 1.039 210 V CA 1.719 64.031 62.300 0.020 0.000 1.016 210 V CB -1.314 30.524 31.823 0.026 0.000 0.650 210 V HN 0.631 nan 8.190 nan 0.000 0.449 211 A N -1.002 121.841 122.820 0.039 0.000 2.172 211 A HA -0.149 4.171 4.320 0.001 0.000 0.216 211 A C 2.409 180.032 177.584 0.065 0.000 1.154 211 A CA 1.789 53.867 52.037 0.067 0.000 0.701 211 A CB -0.424 18.696 19.000 0.201 0.000 0.789 211 A HN 0.485 nan 8.150 nan 0.000 0.465 212 S N -0.161 115.575 115.700 0.061 0.000 2.311 212 S HA -0.033 4.438 4.470 0.001 0.000 0.209 212 S C 1.893 176.504 174.600 0.018 0.000 1.029 212 S CA 1.007 59.252 58.200 0.075 0.000 0.968 212 S CB -0.580 62.721 63.200 0.170 0.000 0.946 212 S HN 0.481 nan 8.310 nan 0.000 0.450 213 L N 1.406 122.605 121.223 -0.040 0.000 2.103 213 L HA -0.180 4.161 4.340 0.001 0.000 0.215 213 L C 2.730 179.584 176.870 -0.027 0.000 1.080 213 L CA 1.987 56.786 54.840 -0.068 0.000 0.764 213 L CB -1.581 40.401 42.059 -0.128 0.000 0.890 213 L HN 0.588 nan 8.230 nan 0.000 0.435 214 T N -3.867 110.539 114.554 -0.247 0.000 3.085 214 T HA -0.038 4.312 4.350 0.001 0.000 0.263 214 T C 0.922 175.426 174.700 -0.327 0.000 1.127 214 T CA 0.508 62.182 62.100 -0.710 0.000 1.103 214 T CB -0.375 68.106 68.868 -0.646 0.000 0.921 214 T HN 0.422 nan 8.240 nan 0.000 0.510 215 N N 1.058 119.701 118.700 -0.095 0.000 2.699 215 N HA -0.169 4.572 4.740 0.001 0.000 0.257 215 N C -0.007 175.489 175.510 -0.024 0.000 1.077 215 N CA 0.796 53.842 53.050 -0.007 0.000 0.702 215 N CB -1.905 36.608 38.487 0.042 0.000 0.886 215 N HN 0.904 nan 8.380 nan 0.000 0.549 216 I N -1.798 118.764 120.570 -0.014 0.000 3.241 216 I HA 0.414 4.585 4.170 0.001 0.000 0.333 216 I C -0.446 175.688 176.117 0.029 0.000 1.534 216 I CA -0.693 60.604 61.300 -0.005 0.000 0.979 216 I CB 0.231 38.208 38.000 -0.039 0.000 1.497 216 I HN 0.072 nan 8.210 nan 0.000 0.530 217 I N 3.563 124.178 120.570 0.074 0.000 2.281 217 I HA 0.170 4.340 4.170 0.001 0.000 0.293 217 I C 1.093 177.254 176.117 0.074 0.000 1.085 217 I CA -0.276 61.093 61.300 0.115 0.000 1.257 217 I CB 1.002 39.145 38.000 0.239 0.000 1.430 217 I HN 0.404 nan 8.210 nan 0.000 0.489 218 T N 3.154 117.726 114.554 0.030 0.000 2.748 218 T HA 0.177 4.527 4.350 0.001 0.000 0.304 218 T C -1.675 173.064 174.700 0.066 0.000 1.041 218 T CA -1.263 60.880 62.100 0.072 0.000 1.033 218 T CB 0.737 69.701 68.868 0.161 0.000 0.995 218 T HN 0.298 nan 8.240 nan 0.000 0.536 219 P HA 0.029 nan 4.420 nan 0.000 0.226 219 P C 0.808 178.148 177.300 0.067 0.000 1.153 219 P CA 0.764 63.907 63.100 0.072 0.000 0.777 219 P CB 0.049 31.784 31.700 0.058 0.000 0.794 220 D N -1.801 118.636 120.400 0.062 0.000 2.479 220 D HA 0.016 4.656 4.640 0.001 0.000 0.218 220 D C 1.480 177.770 176.300 -0.017 0.000 1.177 220 D CA -0.230 53.798 54.000 0.047 0.000 0.830 220 D CB -0.472 40.365 40.800 0.062 0.000 1.014 220 D HN -0.016 nan 8.370 nan 0.000 0.503 221 L N 0.184 121.314 121.223 -0.156 0.000 1.994 221 L HA 0.042 4.382 4.340 0.001 0.000 0.208 221 L C 1.055 177.544 176.870 -0.635 0.000 1.071 221 L CA 1.762 56.257 54.840 -0.574 0.000 0.745 221 L CB -0.805 40.739 42.059 -0.859 0.000 0.892 221 L HN -0.083 nan 8.230 nan 0.000 0.431 222 F N 0.049 120.037 119.950 0.063 0.000 2.645 222 F HA 0.276 4.803 4.527 0.001 0.000 0.300 222 F C 0.978 176.823 175.800 0.075 0.000 1.115 222 F CA -0.661 57.412 58.000 0.122 0.000 1.355 222 F CB -0.785 38.289 39.000 0.123 0.000 1.026 222 F HN 0.119 nan 8.300 nan 0.000 0.536 223 E N 0.653 120.910 120.200 0.095 0.000 2.480 223 E HA 0.210 4.560 4.350 0.001 0.000 0.258 223 E C 1.387 178.028 176.600 0.069 0.000 0.984 223 E CA 0.947 57.394 56.400 0.078 0.000 0.930 223 E CB 0.200 29.919 29.700 0.032 0.000 0.936 223 E HN 0.596 nan 8.360 nan 0.000 0.466 224 G N 3.458 112.316 108.800 0.096 0.000 2.205 224 G HA2 -0.331 3.630 3.960 0.001 0.000 0.261 224 G HA3 -0.331 3.630 3.960 0.001 0.000 0.261 224 G C 1.007 176.008 174.900 0.168 0.000 0.980 224 G CA 0.646 45.807 45.100 0.101 0.000 0.632 224 G HN 0.615 nan 8.290 nan 0.000 0.533 225 T N 0.815 115.496 114.554 0.211 0.000 2.851 225 T HA 0.285 4.636 4.350 0.001 0.000 0.262 225 T C 2.800 177.658 174.700 0.262 0.000 1.043 225 T CA 2.034 64.316 62.100 0.304 0.000 1.140 225 T CB -0.401 68.725 68.868 0.430 0.000 0.872 225 T HN 1.145 nan 8.240 nan 0.000 0.446 226 A N 1.828 124.758 122.820 0.184 0.000 1.892 226 A HA -0.211 4.109 4.320 0.001 0.000 0.218 226 A C 2.207 179.850 177.584 0.098 0.000 1.188 226 A CA 1.926 54.030 52.037 0.112 0.000 0.631 226 A CB -0.600 18.448 19.000 0.080 0.000 0.822 226 A HN 0.402 nan 8.150 nan 0.000 0.447 227 E N -1.433 118.834 120.200 0.112 0.000 2.031 227 E HA -0.199 4.152 4.350 0.001 0.000 0.193 227 E C 1.613 178.265 176.600 0.087 0.000 0.994 227 E CA 1.365 57.814 56.400 0.082 0.000 0.800 227 E CB -0.504 29.247 29.700 0.085 0.000 0.752 227 E HN 0.829 nan 8.360 nan 0.000 0.447 228 W N 0.985 122.292 121.300 0.012 0.000 2.342 228 W HA -0.124 4.536 4.660 0.001 0.000 0.297 228 W C 1.735 178.251 176.519 -0.006 0.000 1.213 228 W CA 1.450 58.797 57.345 0.003 0.000 1.251 228 W CB -0.164 29.305 29.460 0.015 0.000 1.136 228 W HN 0.004 nan 8.180 nan 0.000 0.526 229 I N 0.532 121.179 120.570 0.128 0.000 2.142 229 I HA -0.318 3.852 4.170 0.001 0.000 0.240 229 I C 2.650 178.632 176.117 -0.225 0.000 1.078 229 I CA 1.570 62.845 61.300 -0.042 0.000 1.343 229 I CB -1.192 36.865 38.000 0.095 0.000 1.046 229 I HN 0.049 nan 8.210 nan 0.000 0.405 230 A N 0.886 123.623 122.820 -0.138 0.000 1.978 230 A HA -0.218 4.102 4.320 0.001 0.000 0.220 230 A C 2.262 179.715 177.584 -0.219 0.000 1.170 230 A CA 1.500 53.447 52.037 -0.149 0.000 0.636 230 A CB -0.689 18.260 19.000 -0.085 0.000 0.810 230 A HN 0.383 nan 8.150 nan 0.000 0.448 231 R N -1.236 119.087 120.500 -0.294 0.000 2.328 231 R HA -0.050 4.291 4.340 0.001 0.000 0.207 231 R C 1.113 177.170 176.300 -0.405 0.000 1.056 231 R CA 0.879 56.781 56.100 -0.330 0.000 1.016 231 R CB -0.576 29.489 30.300 -0.391 0.000 0.872 231 R HN 0.583 nan 8.270 nan 0.000 0.471 232 C N 0.114 119.134 119.300 -0.465 0.000 2.791 232 C HA 0.082 4.543 4.460 0.001 0.000 0.270 232 C C 1.026 175.812 174.990 -0.340 0.000 1.257 232 C CA -0.489 58.260 59.018 -0.448 0.000 1.699 232 C CB -0.761 26.658 27.740 -0.534 0.000 1.904 232 C HN 0.429 nan 8.230 nan 0.000 0.603 233 Q N 2.846 122.474 119.800 -0.286 0.000 2.279 233 Q HA 0.221 4.562 4.340 0.001 0.000 0.256 233 Q C 0.027 175.886 176.000 -0.235 0.000 0.937 233 Q CA 0.129 55.768 55.803 -0.274 0.000 0.933 233 Q CB 0.623 29.231 28.738 -0.216 0.000 1.189 233 Q HN 0.682 nan 8.270 nan 0.000 0.417 234 N N 3.569 122.095 118.700 -0.290 0.000 2.879 234 N HA 0.130 4.871 4.740 0.001 0.000 0.329 234 N C 0.913 176.325 175.510 -0.164 0.000 1.337 234 N CA -0.610 52.314 53.050 -0.210 0.000 0.844 234 N CB -0.370 37.949 38.487 -0.279 0.000 1.236 234 N HN 0.885 nan 8.380 nan 0.000 0.601 235 W N -0.575 120.666 121.300 -0.099 0.000 2.389 235 W HA -0.041 4.619 4.660 0.001 0.000 0.267 235 W C 0.402 176.897 176.519 -0.040 0.000 1.219 235 W CA 0.638 57.947 57.345 -0.059 0.000 1.189 235 W CB -0.838 28.600 29.460 -0.037 0.000 1.129 235 W HN 0.568 nan 8.180 nan 0.000 0.581 236 E N 0.052 119.969 120.200 -0.473 0.000 2.250 236 E HA 0.150 4.501 4.350 0.001 0.000 0.192 236 E C 2.116 178.619 176.600 -0.162 0.000 0.986 236 E CA 0.865 57.049 56.400 -0.361 0.000 0.849 236 E CB -0.216 29.090 29.700 -0.657 0.000 0.797 236 E HN 0.379 nan 8.360 nan 0.000 0.482 237 G N 0.588 109.219 108.800 -0.282 0.000 2.259 237 G HA2 -0.218 3.743 3.960 0.001 0.000 0.217 237 G HA3 -0.218 3.743 3.960 0.001 0.000 0.217 237 G C 0.641 175.312 174.900 -0.383 0.000 1.001 237 G CA -0.202 44.795 45.100 -0.172 0.000 0.627 237 G HN 0.507 nan 8.290 nan 0.000 0.501 238 G N -0.307 107.924 108.800 -0.950 0.000 2.485 238 G HA2 0.622 4.583 3.960 0.001 0.000 0.260 238 G HA3 0.622 4.583 3.960 0.001 0.000 0.260 238 G C -0.068 174.362 174.900 -0.784 0.000 1.459 238 G CA -0.101 44.200 45.100 -1.332 0.000 1.060 238 G HN 0.784 nan 8.290 nan 0.000 0.546 239 I N -0.671 119.476 120.570 -0.705 0.000 2.769 239 I HA 0.536 4.707 4.170 0.001 0.000 0.298 239 I C 0.441 176.342 176.117 -0.360 0.000 1.128 239 I CA -0.829 60.216 61.300 -0.425 0.000 1.031 239 I CB 2.409 40.242 38.000 -0.279 0.000 1.235 239 I HN 0.664 nan 8.210 nan 0.000 0.423 240 G N 1.721 110.310 108.800 -0.351 0.000 2.735 240 G HA2 0.498 4.458 3.960 0.001 0.000 0.301 240 G HA3 0.498 4.458 3.960 0.001 0.000 0.301 240 G C 0.721 175.263 174.900 -0.596 0.000 1.279 240 G CA -0.121 44.751 45.100 -0.379 0.000 1.019 240 G HN 0.768 nan 8.290 nan 0.000 0.497 241 G N -1.254 106.916 108.800 -1.051 0.000 2.446 241 G HA2 0.226 4.186 3.960 0.001 0.000 0.217 241 G HA3 0.226 4.186 3.960 0.001 0.000 0.217 241 G C 0.648 175.323 174.900 -0.375 0.000 1.168 241 G CA 2.025 46.391 45.100 -1.223 0.000 0.771 241 G HN 1.572 nan 8.290 nan 0.000 0.551 242 V N -4.150 115.601 119.914 -0.271 0.000 2.971 242 V HA 0.646 4.766 4.120 0.001 0.000 0.309 242 V C -2.978 172.996 176.094 -0.200 0.000 1.130 242 V CA -3.016 59.225 62.300 -0.099 0.000 0.964 242 V CB 1.945 33.799 31.823 0.053 0.000 1.029 242 V HN -0.063 nan 8.190 nan 0.000 0.427 243 P HA 0.243 nan 4.420 nan 0.000 0.259 243 P C 1.005 178.228 177.300 -0.128 0.000 1.155 243 P CA 2.332 65.297 63.100 -0.225 0.000 0.759 243 P CB 0.250 31.820 31.700 -0.216 0.000 0.753 244 G N 1.856 110.584 108.800 -0.120 0.000 2.179 244 G HA2 -0.186 3.774 3.960 0.001 0.000 0.220 244 G HA3 -0.186 3.774 3.960 0.001 0.000 0.220 244 G C 0.097 174.966 174.900 -0.051 0.000 0.990 244 G CA -0.545 44.523 45.100 -0.053 0.000 0.646 244 G HN 0.381 nan 8.290 nan 0.000 0.517 245 M N 1.062 120.592 119.600 -0.117 0.000 2.342 245 M HA 0.420 4.901 4.480 0.001 0.000 0.332 245 M C 0.722 176.935 176.300 -0.146 0.000 1.166 245 M CA -0.983 54.246 55.300 -0.119 0.000 1.086 245 M CB 1.057 33.545 32.600 -0.186 0.000 1.541 245 M HN 0.407 nan 8.290 nan 0.000 0.462 246 E N 1.347 121.493 120.200 -0.090 0.000 2.437 246 E HA 0.250 4.600 4.350 0.001 0.000 0.263 246 E C -0.570 175.920 176.600 -0.184 0.000 1.030 246 E CA -0.311 56.013 56.400 -0.126 0.000 0.934 246 E CB 0.761 30.450 29.700 -0.018 0.000 0.943 246 E HN 0.712 nan 8.360 nan 0.000 0.444 247 A N 4.089 126.722 122.820 -0.313 0.000 2.511 247 A HA 0.103 4.423 4.320 0.001 0.000 0.242 247 A C -0.448 177.101 177.584 -0.059 0.000 1.069 247 A CA 0.089 51.865 52.037 -0.436 0.000 0.763 247 A CB 0.315 18.759 19.000 -0.926 0.000 1.001 247 A HN 0.699 nan 8.150 nan 0.000 0.498 248 H N 1.280 120.284 119.070 -0.110 0.000 2.865 248 H HA 0.413 4.970 4.556 0.001 0.000 0.362 248 H C 1.071 176.534 175.328 0.224 0.000 1.114 248 H CA 0.063 56.216 56.048 0.174 0.000 1.208 248 H CB 1.722 31.655 29.762 0.286 0.000 1.727 248 H HN 0.627 nan 8.280 nan 0.000 0.534 249 G N 2.096 111.132 108.800 0.392 0.000 2.408 249 G HA2 -0.197 3.763 3.960 0.001 0.000 0.217 249 G HA3 -0.197 3.763 3.960 0.001 0.000 0.217 249 G C 1.476 176.593 174.900 0.362 0.000 1.150 249 G CA 0.742 46.076 45.100 0.390 0.000 0.776 249 G HN 0.665 nan 8.290 nan 0.000 0.542 250 G N 0.122 109.161 108.800 0.398 0.000 2.433 250 G HA2 -0.186 3.775 3.960 0.001 0.000 0.216 250 G HA3 -0.186 3.775 3.960 0.001 0.000 0.216 250 G C 1.597 176.198 174.900 -0.498 0.000 1.186 250 G CA 1.012 45.752 45.100 -0.600 0.000 0.779 250 G HN 0.445 nan 8.290 nan 0.000 0.543 251 Y N 1.048 121.247 120.300 -0.168 0.000 2.220 251 Y HA -0.023 4.527 4.550 0.001 0.000 0.291 251 Y C 3.328 179.168 175.900 -0.100 0.000 1.129 251 Y CA 1.452 59.467 58.100 -0.141 0.000 1.161 251 Y CB -0.886 37.491 38.460 -0.138 0.000 0.997 251 Y HN 0.087 nan 8.280 nan 0.000 0.522 252 T N 0.716 115.336 114.554 0.110 0.000 2.803 252 T HA -0.244 4.107 4.350 0.001 0.000 0.269 252 T C 1.613 176.314 174.700 0.002 0.000 1.052 252 T CA 1.627 63.730 62.100 0.005 0.000 1.136 252 T CB -0.660 68.233 68.868 0.041 0.000 0.864 252 T HN 0.355 nan 8.240 nan 0.000 0.467 253 F N 1.310 121.202 119.950 -0.098 0.000 2.060 253 F HA -0.108 4.420 4.527 0.001 0.000 0.295 253 F C 2.470 178.083 175.800 -0.311 0.000 1.120 253 F CA 0.716 58.617 58.000 -0.165 0.000 1.205 253 F CB -0.828 38.136 39.000 -0.059 0.000 0.986 253 F HN 0.123 nan 8.300 nan 0.000 0.470 254 C N 1.154 120.327 119.300 -0.211 0.000 2.403 254 C HA -0.139 4.321 4.460 0.001 0.000 0.279 254 C C 3.038 177.836 174.990 -0.319 0.000 1.269 254 C CA 1.171 59.931 59.018 -0.429 0.000 1.774 254 C CB -2.062 25.628 27.740 -0.085 0.000 1.993 254 C HN 0.770 nan 8.230 nan 0.000 0.496 255 G N 0.024 108.709 108.800 -0.192 0.000 2.434 255 G HA2 -0.153 3.807 3.960 0.001 0.000 0.214 255 G HA3 -0.153 3.807 3.960 0.001 0.000 0.214 255 G C 1.459 176.237 174.900 -0.203 0.000 1.202 255 G CA 0.880 45.897 45.100 -0.138 0.000 0.788 255 G HN 0.423 nan 8.290 nan 0.000 0.539 256 L N 1.438 122.501 121.223 -0.267 0.000 1.976 256 L HA 0.099 4.439 4.340 0.001 0.000 0.209 256 L C 3.181 179.843 176.870 -0.346 0.000 1.071 256 L CA 2.375 57.055 54.840 -0.267 0.000 0.746 256 L CB -0.840 41.067 42.059 -0.253 0.000 0.890 256 L HN 0.257 nan 8.230 nan 0.000 0.432 257 A N -0.767 121.684 122.820 -0.614 0.000 1.986 257 A HA -0.180 4.140 4.320 0.001 0.000 0.220 257 A C 2.395 179.782 177.584 -0.329 0.000 1.171 257 A CA 2.018 53.680 52.037 -0.625 0.000 0.640 257 A CB -1.136 17.131 19.000 -1.221 0.000 0.811 257 A HN 0.605 nan 8.150 nan 0.000 0.451 258 A N -0.446 122.217 122.820 -0.262 0.000 1.897 258 A HA 0.054 4.374 4.320 0.001 0.000 0.215 258 A C 2.156 179.669 177.584 -0.118 0.000 1.181 258 A CA 1.331 53.328 52.037 -0.067 0.000 0.620 258 A CB -0.515 18.488 19.000 0.005 0.000 0.821 258 A HN 0.457 nan 8.150 nan 0.000 0.443 259 L N -0.298 120.852 121.223 -0.121 0.000 2.093 259 L HA -0.142 4.198 4.340 0.001 0.000 0.208 259 L C 2.483 179.299 176.870 -0.090 0.000 1.085 259 L CA 0.934 55.720 54.840 -0.089 0.000 0.755 259 L CB -0.522 41.492 42.059 -0.076 0.000 0.904 259 L HN 0.241 nan 8.230 nan 0.000 0.435 260 V N 0.283 120.128 119.914 -0.115 0.000 2.392 260 V HA -0.309 3.812 4.120 0.001 0.000 0.249 260 V C 2.278 178.335 176.094 -0.061 0.000 1.059 260 V CA 1.790 64.039 62.300 -0.084 0.000 1.051 260 V CB -0.415 31.345 31.823 -0.106 0.000 0.658 260 V HN 0.344 nan 8.190 nan 0.000 0.455 261 I N -0.492 120.024 120.570 -0.091 0.000 2.193 261 I HA -0.190 3.980 4.170 0.001 0.000 0.240 261 I C 2.095 178.167 176.117 -0.076 0.000 1.084 261 I CA 1.481 62.738 61.300 -0.072 0.000 1.365 261 I CB -0.310 37.624 38.000 -0.111 0.000 1.064 261 I HN 0.221 nan 8.210 nan 0.000 0.410 262 L N 0.835 121.987 121.223 -0.118 0.000 2.633 262 L HA -0.072 4.268 4.340 0.001 0.000 0.235 262 L C 0.169 177.026 176.870 -0.022 0.000 1.163 262 L CA 0.436 55.222 54.840 -0.090 0.000 0.859 262 L CB -0.759 41.244 42.059 -0.095 0.000 0.973 262 L HN 0.289 nan 8.230 nan 0.000 0.451 263 K N 1.236 121.624 120.400 -0.019 0.000 4.387 263 K HA -0.175 4.145 4.320 0.001 0.000 0.290 263 K C 0.052 176.655 176.600 0.005 0.000 0.936 263 K CA 0.258 56.547 56.287 0.002 0.000 0.890 263 K CB -0.709 31.803 32.500 0.021 0.000 1.617 263 K HN 0.190 nan 8.250 nan 0.000 0.437 264 K N 0.281 120.677 120.400 -0.006 0.000 2.646 264 K HA 0.013 4.333 4.320 0.001 0.000 0.177 264 K C 0.213 176.803 176.600 -0.015 0.000 1.222 264 K CA -0.037 56.248 56.287 -0.003 0.000 1.138 264 K CB 0.766 33.268 32.500 0.004 0.000 0.955 264 K HN 0.177 nan 8.250 nan 0.000 0.524 265 E N 1.109 121.296 120.200 -0.022 0.000 2.169 265 E HA -0.185 4.165 4.350 0.001 0.000 0.202 265 E C 1.537 178.125 176.600 -0.021 0.000 1.016 265 E CA 1.505 57.887 56.400 -0.031 0.000 0.817 265 E CB -0.176 29.510 29.700 -0.023 0.000 0.736 265 E HN 0.235 nan 8.360 nan 0.000 0.462 266 R N 0.170 120.665 120.500 -0.008 0.000 2.189 266 R HA 0.079 4.419 4.340 0.001 0.000 0.223 266 R C 2.064 178.358 176.300 -0.010 0.000 1.092 266 R CA 0.901 56.999 56.100 -0.004 0.000 0.989 266 R CB -0.111 30.192 30.300 0.004 0.000 0.876 266 R HN 0.015 nan 8.270 nan 0.000 0.457 267 S N 0.753 116.445 115.700 -0.013 0.000 2.493 267 S HA -0.034 4.436 4.470 0.001 0.000 0.243 267 S C 0.766 175.348 174.600 -0.030 0.000 0.991 267 S CA 0.738 58.929 58.200 -0.016 0.000 0.957 267 S CB -0.114 63.079 63.200 -0.012 0.000 0.756 267 S HN 0.175 nan 8.310 nan 0.000 0.521 268 L N 1.470 122.672 121.223 -0.035 0.000 2.358 268 L HA 0.370 4.710 4.340 0.001 0.000 0.268 268 L C 0.744 177.595 176.870 -0.032 0.000 1.032 268 L CA -0.726 54.085 54.840 -0.047 0.000 0.805 268 L CB 0.384 42.407 42.059 -0.060 0.000 1.253 268 L HN -0.020 nan 8.230 nan 0.000 0.452 269 N N 1.987 120.665 118.700 -0.036 0.000 3.050 269 N HA 0.085 4.825 4.740 0.001 0.000 0.289 269 N C 0.930 176.435 175.510 -0.008 0.000 1.209 269 N CA 0.011 53.051 53.050 -0.018 0.000 1.154 269 N CB 0.294 38.770 38.487 -0.019 0.000 1.444 269 N HN 0.605 nan 8.380 nan 0.000 0.529 270 L N 0.772 121.994 121.223 -0.002 0.000 2.263 270 L HA -0.200 4.141 4.340 0.001 0.000 0.216 270 L C 2.425 179.316 176.870 0.035 0.000 1.111 270 L CA 1.098 55.946 54.840 0.012 0.000 0.773 270 L CB -0.185 41.883 42.059 0.015 0.000 0.906 270 L HN 0.429 nan 8.230 nan 0.000 0.439 271 K N 0.159 120.580 120.400 0.035 0.000 2.076 271 K HA -0.128 4.192 4.320 0.001 0.000 0.204 271 K C 2.337 178.976 176.600 0.065 0.000 1.051 271 K CA 1.531 57.849 56.287 0.051 0.000 0.949 271 K CB 0.056 32.582 32.500 0.043 0.000 0.726 271 K HN 0.345 nan 8.250 nan 0.000 0.443 272 S N 0.861 116.593 115.700 0.053 0.000 2.481 272 S HA -0.112 4.358 4.470 0.001 0.000 0.231 272 S C 1.875 176.534 174.600 0.098 0.000 0.996 272 S CA 0.538 58.780 58.200 0.071 0.000 0.942 272 S CB -0.128 63.099 63.200 0.045 0.000 0.768 272 S HN 0.261 nan 8.310 nan 0.000 0.520 273 L N 1.145 122.414 121.223 0.075 0.000 2.007 273 L HA 0.234 4.575 4.340 0.001 0.000 0.205 273 L C 2.213 179.201 176.870 0.198 0.000 1.073 273 L CA 1.545 56.450 54.840 0.108 0.000 0.744 273 L CB -1.194 40.889 42.059 0.040 0.000 0.898 273 L HN 0.358 nan 8.230 nan 0.000 0.435 274 L N -0.096 121.212 121.223 0.142 0.000 2.051 274 L HA -0.274 4.067 4.340 0.001 0.000 0.214 274 L C 2.549 179.515 176.870 0.161 0.000 1.076 274 L CA 2.005 56.935 54.840 0.150 0.000 0.758 274 L CB -1.124 41.010 42.059 0.126 0.000 0.890 274 L HN 0.528 nan 8.230 nan 0.000 0.433 275 Q N -1.574 118.318 119.800 0.153 0.000 2.124 275 Q HA -0.256 4.084 4.340 0.001 0.000 0.202 275 Q C 2.069 178.165 176.000 0.160 0.000 0.977 275 Q CA 2.188 58.074 55.803 0.139 0.000 0.850 275 Q CB -0.497 28.315 28.738 0.124 0.000 0.901 275 Q HN 0.742 nan 8.270 nan 0.000 0.429 276 W N 0.331 121.642 121.300 0.020 0.000 2.413 276 W HA -0.165 4.496 4.660 0.000 0.000 0.315 276 W C 2.011 178.546 176.519 0.026 0.000 1.186 276 W CA 1.670 59.013 57.345 -0.003 0.000 1.326 276 W CB -0.562 28.869 29.460 -0.049 0.000 1.153 276 W HN -0.119 nan 8.180 nan 0.000 0.489 277 V N 1.597 121.587 119.914 0.127 0.000 2.215 277 V HA -0.470 3.650 4.120 0.001 0.000 0.249 277 V C 2.608 178.704 176.094 0.004 0.000 1.054 277 V CA 3.581 65.843 62.300 -0.064 0.000 1.012 277 V CB -2.087 29.792 31.823 0.093 0.000 0.639 277 V HN 0.471 nan 8.190 nan 0.000 0.448 278 T N -1.569 113.063 114.554 0.130 0.000 2.714 278 T HA -0.290 4.060 4.350 0.001 0.000 0.268 278 T C 1.776 176.516 174.700 0.066 0.000 1.036 278 T CA 2.207 64.421 62.100 0.191 0.000 1.148 278 T CB -0.785 68.185 68.868 0.170 0.000 0.856 278 T HN 0.414 nan 8.240 nan 0.000 0.462 279 S N 0.832 116.509 115.700 -0.038 0.000 2.481 279 S HA 0.075 4.546 4.470 0.001 0.000 0.231 279 S C 2.090 176.572 174.600 -0.197 0.000 0.996 279 S CA 0.203 58.342 58.200 -0.101 0.000 0.942 279 S CB -0.216 62.926 63.200 -0.097 0.000 0.768 279 S HN 0.422 nan 8.310 nan 0.000 0.520 280 R N 1.425 121.769 120.500 -0.260 0.000 2.189 280 R HA 0.103 4.443 4.340 0.001 0.000 0.218 280 R C 1.123 177.248 176.300 -0.292 0.000 1.074 280 R CA 0.171 56.095 56.100 -0.294 0.000 0.991 280 R CB -0.508 29.543 30.300 -0.414 0.000 0.883 280 R HN 0.559 nan 8.270 nan 0.000 0.457 281 Q N 0.968 120.428 119.800 -0.567 0.000 2.364 281 Q HA 0.043 4.384 4.340 0.001 0.000 0.267 281 Q C -0.493 175.193 176.000 -0.522 0.000 0.999 281 Q CA 0.058 55.150 55.803 -1.184 0.000 0.886 281 Q CB 0.660 28.533 28.738 -1.442 0.000 1.243 281 Q HN -0.124 nan 8.270 nan 0.000 0.415 282 M N 4.772 124.106 119.600 -0.443 0.000 2.108 282 M HA 0.121 4.601 4.480 0.001 0.000 0.347 282 M C 0.968 177.209 176.300 -0.099 0.000 1.326 282 M CA 0.269 55.436 55.300 -0.221 0.000 1.126 282 M CB 0.498 32.975 32.600 -0.205 0.000 1.606 282 M HN 0.741 nan 8.290 nan 0.000 0.462 283 R N 1.095 121.590 120.500 -0.008 0.000 2.185 283 R HA -0.200 4.141 4.340 0.001 0.000 0.247 283 R C 1.257 177.726 176.300 0.281 0.000 1.159 283 R CA 1.711 57.881 56.100 0.116 0.000 0.988 283 R CB -0.475 29.889 30.300 0.107 0.000 0.871 283 R HN 0.542 nan 8.270 nan 0.000 0.458 284 F N 1.410 121.383 119.950 0.039 0.000 2.390 284 F HA 0.237 4.765 4.527 0.001 0.000 0.281 284 F C 1.759 177.640 175.800 0.135 0.000 1.016 284 F CA 0.549 58.551 58.000 0.003 0.000 1.286 284 F CB -0.020 38.917 39.000 -0.105 0.000 1.134 284 F HN -0.170 nan 8.300 nan 0.000 0.597 285 E N 0.334 120.452 120.200 -0.135 0.000 2.058 285 E HA 0.043 4.394 4.350 0.001 0.000 0.194 285 E C 1.884 178.396 176.600 -0.146 0.000 0.997 285 E CA 2.032 58.285 56.400 -0.244 0.000 0.801 285 E CB -0.695 28.816 29.700 -0.315 0.000 0.746 285 E HN 0.647 nan 8.360 nan 0.000 0.450 286 G N -0.826 107.860 108.800 -0.190 0.000 2.284 286 G HA2 -0.188 3.773 3.960 0.001 0.000 0.216 286 G HA3 -0.188 3.773 3.960 0.001 0.000 0.216 286 G C 0.576 175.295 174.900 -0.301 0.000 1.009 286 G CA -0.097 44.913 45.100 -0.151 0.000 0.625 286 G HN 0.644 nan 8.290 nan 0.000 0.501 287 G N -0.469 107.965 108.800 -0.609 0.000 2.535 287 G HA2 0.624 4.584 3.960 0.001 0.000 0.303 287 G HA3 0.624 4.584 3.960 0.001 0.000 0.303 287 G C -0.500 174.137 174.900 -0.438 0.000 1.237 287 G CA -0.827 43.963 45.100 -0.516 0.000 0.986 287 G HN 0.247 nan 8.290 nan 0.000 0.494 288 F N -0.367 119.465 119.950 -0.197 0.000 2.399 288 F HA 0.388 4.915 4.527 0.001 0.000 0.328 288 F C 0.916 176.606 175.800 -0.184 0.000 1.084 288 F CA -0.469 57.417 58.000 -0.189 0.000 1.053 288 F CB 1.815 40.711 39.000 -0.173 0.000 1.209 288 F HN 0.490 nan 8.300 nan 0.000 0.502 289 Q N 0.608 120.356 119.800 -0.087 0.000 2.215 289 Q HA 0.584 4.925 4.340 0.001 0.000 0.256 289 Q C 0.397 176.129 176.000 -0.446 0.000 0.972 289 Q CA -0.650 55.034 55.803 -0.199 0.000 0.889 289 Q CB 1.768 30.392 28.738 -0.189 0.000 1.281 289 Q HN 0.816 nan 8.270 nan 0.000 0.456 290 G N 1.251 109.644 108.800 -0.678 0.000 2.603 290 G HA2 0.097 4.057 3.960 0.001 0.000 0.214 290 G HA3 0.097 4.057 3.960 0.001 0.000 0.214 290 G C 0.195 174.736 174.900 -0.598 0.000 1.140 290 G CA -0.107 44.333 45.100 -1.100 0.000 0.800 290 G HN 0.472 nan 8.290 nan 0.000 0.533 291 R N -1.539 118.759 120.500 -0.338 0.000 2.643 291 R HA 0.311 4.651 4.340 0.001 0.000 0.269 291 R C -1.101 175.138 176.300 -0.102 0.000 1.037 291 R CA -0.836 55.194 56.100 -0.117 0.000 0.894 291 R CB 1.404 31.662 30.300 -0.070 0.000 1.238 291 R HN 0.070 nan 8.270 nan 0.000 0.459 292 C N 2.963 122.243 119.300 -0.034 0.000 2.550 292 C HA -0.042 4.419 4.460 0.001 0.000 0.406 292 C C 0.628 175.606 174.990 -0.021 0.000 1.366 292 C CA 0.733 59.724 59.018 -0.044 0.000 1.712 292 C CB -0.958 26.800 27.740 0.030 0.000 2.613 292 C HN 0.927 nan 8.230 nan 0.000 0.608 293 N N 3.140 121.822 118.700 -0.029 0.000 2.714 293 N HA -0.150 4.590 4.740 0.001 0.000 0.253 293 N C -0.851 174.653 175.510 -0.009 0.000 1.024 293 N CA 1.301 54.346 53.050 -0.008 0.000 0.726 293 N CB -0.635 37.866 38.487 0.022 0.000 0.908 293 N HN 0.787 nan 8.380 nan 0.000 0.542 294 K N -0.126 120.255 120.400 -0.032 0.000 2.551 294 K HA 0.391 4.711 4.320 0.001 0.000 0.269 294 K C 0.230 176.813 176.600 -0.029 0.000 0.949 294 K CA -0.805 55.470 56.287 -0.021 0.000 0.849 294 K CB 1.844 34.325 32.500 -0.031 0.000 1.411 294 K HN -0.033 nan 8.250 nan 0.000 0.432 295 L N 1.707 122.931 121.223 0.001 0.000 2.516 295 L HA 0.019 4.359 4.340 0.001 0.000 0.288 295 L C 0.940 177.812 176.870 0.005 0.000 1.246 295 L CA -0.019 54.828 54.840 0.012 0.000 0.844 295 L CB 0.061 42.146 42.059 0.044 0.000 1.106 295 L HN 0.395 nan 8.230 nan 0.000 0.509 296 V N 2.445 122.354 119.914 -0.009 0.000 3.237 296 V HA 0.135 4.255 4.120 0.001 0.000 0.305 296 V C -0.065 176.083 176.094 0.090 0.000 1.096 296 V CA 0.120 62.400 62.300 -0.032 0.000 1.130 296 V CB 1.550 33.266 31.823 -0.178 0.000 1.048 296 V HN 0.932 nan 8.190 nan 0.000 0.484 297 D N 2.172 122.671 120.400 0.165 0.000 2.661 297 D HA 0.372 5.013 4.640 0.001 0.000 0.228 297 D C 0.716 177.159 176.300 0.237 0.000 1.210 297 D CA 0.163 54.311 54.000 0.247 0.000 0.826 297 D CB 2.145 43.177 40.800 0.387 0.000 1.542 297 D HN 0.664 nan 8.370 nan 0.000 0.447 298 G N 1.348 110.201 108.800 0.089 0.000 2.628 298 G HA2 -0.263 3.697 3.960 0.001 0.000 0.217 298 G HA3 -0.263 3.697 3.960 0.001 0.000 0.217 298 G C 1.356 176.192 174.900 -0.105 0.000 1.240 298 G CA 1.807 46.899 45.100 -0.014 0.000 0.792 298 G HN 0.752 nan 8.290 nan 0.000 0.593 299 C N -2.919 116.146 119.300 -0.393 0.000 2.238 299 C HA 0.375 4.835 4.460 0.001 0.000 0.239 299 C C 1.406 176.325 174.990 -0.119 0.000 2.797 299 C CA 0.058 58.827 59.018 -0.414 0.000 1.734 299 C CB -1.183 26.100 27.740 -0.761 0.000 1.903 299 C HN 0.800 nan 8.230 nan 0.000 0.497 300 Y N -0.560 119.717 120.300 -0.039 0.000 4.851 300 Y HA -0.229 4.321 4.550 0.001 0.000 0.235 300 Y C 1.807 177.666 175.900 -0.067 0.000 0.998 300 Y CA 0.972 59.089 58.100 0.027 0.000 1.980 300 Y CB -2.504 36.005 38.460 0.080 0.000 1.561 300 Y HN 0.726 nan 8.280 nan 0.000 0.585 301 S N -1.482 114.250 115.700 0.053 0.000 2.524 301 S HA 0.221 4.692 4.470 0.001 0.000 0.215 301 S C 1.138 175.717 174.600 -0.036 0.000 0.986 301 S CA 0.421 58.640 58.200 0.031 0.000 0.911 301 S CB 0.181 63.435 63.200 0.090 0.000 0.805 301 S HN 0.480 nan 8.310 nan 0.000 0.501 302 F N -0.595 119.202 119.950 -0.256 0.000 2.577 302 F HA 0.362 4.889 4.527 0.001 0.000 0.282 302 F C 0.815 176.443 175.800 -0.287 0.000 0.957 302 F CA -0.621 57.191 58.000 -0.314 0.000 1.168 302 F CB -0.221 38.555 39.000 -0.373 0.000 0.958 302 F HN 0.150 nan 8.300 nan 0.000 0.702 303 W N 1.145 122.258 121.300 -0.312 0.000 2.392 303 W HA -0.133 4.527 4.660 0.001 0.000 0.279 303 W C 1.982 178.372 176.519 -0.215 0.000 1.225 303 W CA 0.659 57.804 57.345 -0.333 0.000 1.233 303 W CB 0.122 29.578 29.460 -0.006 0.000 1.122 303 W HN 0.082 nan 8.180 nan 0.000 0.561 304 Q N -0.625 119.106 119.800 -0.116 0.000 2.530 304 Q HA 0.128 4.469 4.340 0.001 0.000 0.198 304 Q C 2.409 177.952 176.000 -0.762 0.000 0.956 304 Q CA 1.063 56.597 55.803 -0.448 0.000 0.870 304 Q CB -1.266 27.030 28.738 -0.737 0.000 1.050 304 Q HN 0.140 nan 8.270 nan 0.000 0.604 305 A N 1.325 123.439 122.820 -1.175 0.000 1.978 305 A HA -0.105 4.216 4.320 0.001 0.000 0.220 305 A C 2.115 179.374 177.584 -0.541 0.000 1.170 305 A CA 1.867 53.226 52.037 -1.130 0.000 0.636 305 A CB -1.123 17.127 19.000 -1.250 0.000 0.810 305 A HN 0.450 nan 8.150 nan 0.000 0.448 306 G N -0.924 107.589 108.800 -0.478 0.000 2.586 306 G HA2 0.001 3.962 3.960 0.001 0.000 0.215 306 G HA3 0.001 3.962 3.960 0.001 0.000 0.215 306 G C 1.329 176.080 174.900 -0.249 0.000 1.128 306 G CA 0.773 45.596 45.100 -0.461 0.000 0.774 306 G HN 0.466 nan 8.290 nan 0.000 0.543 307 L N -0.446 120.664 121.223 -0.189 0.000 2.202 307 L HA 0.210 4.550 4.340 0.001 0.000 0.205 307 L C 2.695 179.511 176.870 -0.090 0.000 1.083 307 L CA 0.097 54.882 54.840 -0.092 0.000 0.790 307 L CB -0.153 41.884 42.059 -0.037 0.000 0.942 307 L HN 0.160 nan 8.230 nan 0.000 0.452 308 L N 0.055 121.235 121.223 -0.073 0.000 2.079 308 L HA -0.179 4.161 4.340 0.001 0.000 0.210 308 L C -0.323 176.471 176.870 -0.126 0.000 1.081 308 L CA 1.449 56.307 54.840 0.031 0.000 0.752 308 L CB -1.868 40.348 42.059 0.261 0.000 0.896 308 L HN 0.244 nan 8.230 nan 0.000 0.433 309 P HA -0.157 nan 4.420 nan 0.000 0.217 309 P C 1.934 179.111 177.300 -0.204 0.000 1.150 309 P CA 1.216 63.893 63.100 -0.705 0.000 0.832 309 P CB 0.113 31.323 31.700 -0.818 0.000 0.787 310 L N -1.343 119.795 121.223 -0.142 0.000 1.976 310 L HA -0.170 4.170 4.340 0.001 0.000 0.209 310 L C 2.458 179.327 176.870 -0.001 0.000 1.071 310 L CA 1.498 56.291 54.840 -0.077 0.000 0.746 310 L CB -1.309 40.669 42.059 -0.135 0.000 0.890 310 L HN -0.057 nan 8.230 nan 0.000 0.432 311 L N -0.938 120.300 121.223 0.026 0.000 2.129 311 L HA -0.281 4.060 4.340 0.001 0.000 0.212 311 L C 2.607 179.561 176.870 0.140 0.000 1.087 311 L CA 1.129 56.014 54.840 0.075 0.000 0.757 311 L CB -0.676 41.441 42.059 0.098 0.000 0.896 311 L HN 0.322 nan 8.230 nan 0.000 0.434 312 H N 0.320 119.445 119.070 0.092 0.000 2.270 312 H HA -0.111 4.446 4.556 0.001 0.000 0.299 312 H C 2.433 177.840 175.328 0.131 0.000 1.077 312 H CA 1.778 57.928 56.048 0.169 0.000 1.294 312 H CB 0.108 30.030 29.762 0.267 0.000 1.371 312 H HN 0.066 nan 8.280 nan 0.000 0.491 313 R N -0.120 120.489 120.500 0.182 0.000 2.119 313 R HA -0.196 4.144 4.340 0.001 0.000 0.246 313 R C 2.435 178.785 176.300 0.083 0.000 1.146 313 R CA 1.167 57.312 56.100 0.074 0.000 0.962 313 R CB -0.414 29.904 30.300 0.031 0.000 0.863 313 R HN 0.379 nan 8.270 nan 0.000 0.442 314 A N 1.332 124.193 122.820 0.069 0.000 1.832 314 A HA -0.078 4.243 4.320 0.001 0.000 0.214 314 A C 2.222 179.846 177.584 0.065 0.000 1.204 314 A CA 0.865 52.936 52.037 0.057 0.000 0.606 314 A CB -0.645 18.374 19.000 0.031 0.000 0.849 314 A HN 0.165 nan 8.150 nan 0.000 0.445 315 L N -0.692 120.564 121.223 0.054 0.000 2.129 315 L HA -0.252 4.088 4.340 0.001 0.000 0.212 315 L C 2.705 179.597 176.870 0.037 0.000 1.087 315 L CA 1.704 56.563 54.840 0.033 0.000 0.757 315 L CB -0.591 41.478 42.059 0.016 0.000 0.896 315 L HN 0.675 nan 8.230 nan 0.000 0.434 316 H N -0.038 118.994 119.070 -0.063 0.000 2.465 316 H HA 0.061 4.618 4.556 0.001 0.000 0.289 316 H C 2.030 177.353 175.328 -0.008 0.000 1.022 316 H CA 1.081 57.099 56.048 -0.051 0.000 1.340 316 H CB 0.372 30.097 29.762 -0.061 0.000 1.437 316 H HN 0.244 nan 8.280 nan 0.000 0.539 317 A N 0.920 123.895 122.820 0.259 0.000 2.015 317 A HA -0.124 4.197 4.320 0.001 0.000 0.219 317 A C 2.244 179.870 177.584 0.069 0.000 1.163 317 A CA 1.241 53.390 52.037 0.186 0.000 0.646 317 A CB -0.303 18.769 19.000 0.120 0.000 0.806 317 A HN 0.591 nan 8.150 nan 0.000 0.448 318 Q N -1.901 117.919 119.800 0.034 0.000 2.398 318 Q HA 0.289 4.630 4.340 0.001 0.000 0.204 318 Q C 1.421 177.402 176.000 -0.031 0.000 0.932 318 Q CA 0.530 56.336 55.803 0.004 0.000 0.916 318 Q CB 0.250 28.992 28.738 0.007 0.000 1.024 318 Q HN 0.760 nan 8.270 nan 0.000 0.504 319 G N 1.356 110.107 108.800 -0.082 0.000 2.981 319 G HA2 -0.265 3.695 3.960 0.001 0.000 0.198 319 G HA3 -0.265 3.695 3.960 0.001 0.000 0.198 319 G C -0.233 174.589 174.900 -0.129 0.000 1.806 319 G CA -0.273 44.755 45.100 -0.122 0.000 1.374 319 G HN 0.363 nan 8.290 nan 0.000 0.555 320 D N 2.888 123.247 120.400 -0.069 0.000 8.042 320 D HA -0.120 4.521 4.640 0.001 0.000 0.152 320 D C -0.345 175.919 176.300 -0.060 0.000 1.198 320 D CA 0.852 54.823 54.000 -0.048 0.000 0.893 320 D CB 0.467 41.250 40.800 -0.028 0.000 1.674 320 D HN 0.390 nan 8.370 nan 0.000 0.952 321 P HA 0.003 nan 4.420 nan 0.000 0.242 321 P C 0.575 177.870 177.300 -0.008 0.000 1.197 321 P CA 0.340 63.420 63.100 -0.034 0.000 0.765 321 P CB 0.225 31.908 31.700 -0.028 0.000 0.936 322 A N -0.076 122.744 122.820 -0.000 0.000 2.379 322 A HA 0.235 4.556 4.320 0.001 0.000 0.236 322 A C 0.907 178.516 177.584 0.040 0.000 1.272 322 A CA -0.296 51.751 52.037 0.017 0.000 0.886 322 A CB -0.649 18.362 19.000 0.018 0.000 0.962 322 A HN 0.156 nan 8.150 nan 0.000 0.504 323 L N 1.273 122.520 121.223 0.041 0.000 2.315 323 L HA 0.161 4.501 4.340 0.001 0.000 0.283 323 L C 1.005 177.987 176.870 0.186 0.000 1.089 323 L CA -0.327 54.568 54.840 0.093 0.000 0.833 323 L CB 1.073 43.083 42.059 -0.083 0.000 1.170 323 L HN 0.304 nan 8.230 nan 0.000 0.442 324 S N 3.277 119.102 115.700 0.208 0.000 2.554 324 S HA -0.009 4.461 4.470 0.001 0.000 0.290 324 S C 1.087 175.774 174.600 0.145 0.000 1.309 324 S CA 0.116 58.375 58.200 0.099 0.000 1.047 324 S CB 0.447 63.649 63.200 0.003 0.000 0.828 324 S HN 0.641 nan 8.310 nan 0.000 0.509 325 M N 2.986 122.582 119.600 -0.007 0.000 2.382 325 M HA 0.060 4.540 4.480 0.001 0.000 0.247 325 M C 1.544 177.641 176.300 -0.338 0.000 1.104 325 M CA 0.204 55.535 55.300 0.051 0.000 1.030 325 M CB 0.181 32.814 32.600 0.054 0.000 1.424 325 M HN 0.782 nan 8.290 nan 0.000 0.486 326 S N -1.863 113.425 115.700 -0.686 0.000 2.526 326 S HA 0.210 4.681 4.470 0.001 0.000 0.220 326 S C 0.207 173.906 174.600 -1.502 0.000 1.017 326 S CA -0.297 57.342 58.200 -0.936 0.000 0.930 326 S CB 0.136 63.050 63.200 -0.478 0.000 0.856 326 S HN 0.392 nan 8.310 nan 0.000 0.497 327 H N -1.541 116.578 119.070 -1.585 0.000 3.016 327 H HA 0.539 5.096 4.556 0.001 0.000 0.362 327 H C -1.185 173.844 175.328 -0.497 0.000 1.233 327 H CA -1.059 54.362 56.048 -1.046 0.000 1.124 327 H CB 0.581 30.050 29.762 -0.488 0.000 1.850 327 H HN 0.263 nan 8.280 nan 0.000 0.549 328 W N 1.096 122.420 121.300 0.040 0.000 1.966 328 W HA 0.178 4.838 4.660 0.001 0.000 0.367 328 W C 1.170 177.661 176.519 -0.046 0.000 1.451 328 W CA -0.547 56.800 57.345 0.004 0.000 1.538 328 W CB 0.562 29.874 29.460 -0.246 0.000 1.251 328 W HN 0.393 nan 8.180 nan 0.000 0.671 329 M N 2.499 122.323 119.600 0.374 0.000 2.626 329 M HA 0.204 4.684 4.480 0.001 0.000 0.262 329 M C -1.178 175.310 176.300 0.314 0.000 1.256 329 M CA 0.039 55.507 55.300 0.280 0.000 0.981 329 M CB -0.393 32.395 32.600 0.313 0.000 1.492 329 M HN 0.331 nan 8.290 nan 0.000 0.474 330 F N -3.019 117.103 119.950 0.286 0.000 2.603 330 F HA 0.479 5.006 4.527 0.001 0.000 0.317 330 F C -0.411 175.515 175.800 0.210 0.000 1.066 330 F CA -1.272 56.895 58.000 0.279 0.000 0.941 330 F CB 0.475 39.740 39.000 0.442 0.000 1.291 330 F HN -0.127 nan 8.300 nan 0.000 0.472 331 H N 2.816 122.096 119.070 0.349 0.000 3.160 331 H HA 0.125 4.681 4.556 0.001 0.000 0.257 331 H C 0.418 175.934 175.328 0.314 0.000 1.140 331 H CA 0.740 56.853 56.048 0.108 0.000 1.492 331 H CB 1.071 30.775 29.762 -0.097 0.000 1.529 331 H HN 0.870 nan 8.280 nan 0.000 0.490 332 Q N 2.983 122.909 119.800 0.210 0.000 2.062 332 Q HA -0.138 4.203 4.340 0.001 0.000 0.196 332 Q C 2.097 178.301 176.000 0.340 0.000 0.967 332 Q CA 0.690 56.701 55.803 0.346 0.000 0.832 332 Q CB 0.191 28.991 28.738 0.103 0.000 0.899 332 Q HN 0.700 nan 8.270 nan 0.000 0.442 333 Q N 0.680 120.635 119.800 0.259 0.000 2.077 333 Q HA -0.240 4.101 4.340 0.001 0.000 0.206 333 Q C 2.038 178.153 176.000 0.191 0.000 0.989 333 Q CA 1.735 57.666 55.803 0.213 0.000 0.853 333 Q CB -0.167 28.682 28.738 0.186 0.000 0.907 333 Q HN 0.403 nan 8.270 nan 0.000 0.418 334 A N 0.407 123.325 122.820 0.164 0.000 1.930 334 A HA -0.161 4.159 4.320 0.001 0.000 0.217 334 A C 1.942 179.595 177.584 0.116 0.000 1.175 334 A CA 1.204 53.210 52.037 -0.052 0.000 0.627 334 A CB -0.584 18.124 19.000 -0.487 0.000 0.815 334 A HN 0.460 nan 8.150 nan 0.000 0.443 335 L N -0.239 121.121 121.223 0.228 0.000 2.027 335 L HA -0.160 4.181 4.340 0.001 0.000 0.206 335 L C 2.493 179.531 176.870 0.281 0.000 1.074 335 L CA 2.163 57.166 54.840 0.271 0.000 0.745 335 L CB -0.678 41.599 42.059 0.364 0.000 0.898 335 L HN 0.480 nan 8.230 nan 0.000 0.433 336 Q N -0.553 119.400 119.800 0.255 0.000 2.084 336 Q HA -0.240 4.100 4.340 0.001 0.000 0.202 336 Q C 2.052 178.148 176.000 0.160 0.000 0.978 336 Q CA 1.883 57.803 55.803 0.194 0.000 0.844 336 Q CB -0.206 28.636 28.738 0.173 0.000 0.898 336 Q HN 0.616 nan 8.270 nan 0.000 0.426 337 E N -0.440 119.852 120.200 0.153 0.000 2.331 337 E HA -0.205 4.146 4.350 0.001 0.000 0.199 337 E C 1.350 178.065 176.600 0.192 0.000 1.008 337 E CA 0.741 57.213 56.400 0.120 0.000 0.843 337 E CB 0.026 29.758 29.700 0.053 0.000 0.761 337 E HN 0.342 nan 8.360 nan 0.000 0.507 338 Y N 0.587 120.946 120.300 0.098 0.000 2.190 338 Y HA -0.018 4.532 4.550 0.001 0.000 0.290 338 Y C 1.868 177.806 175.900 0.063 0.000 1.115 338 Y CA 0.939 59.100 58.100 0.102 0.000 1.107 338 Y CB -0.261 38.248 38.460 0.081 0.000 1.033 338 Y HN -0.127 nan 8.280 nan 0.000 0.502 339 I N 0.270 120.844 120.570 0.005 0.000 2.194 339 I HA -0.359 3.811 4.170 0.001 0.000 0.246 339 I C 2.257 178.316 176.117 -0.097 0.000 1.093 339 I CA 1.679 62.915 61.300 -0.107 0.000 1.355 339 I CB -0.525 37.492 38.000 0.029 0.000 1.046 339 I HN 0.275 nan 8.210 nan 0.000 0.413 340 L N -0.754 120.465 121.223 -0.007 0.000 2.240 340 L HA -0.086 4.254 4.340 0.001 0.000 0.211 340 L C 2.354 179.237 176.870 0.021 0.000 1.106 340 L CA 0.964 55.821 54.840 0.029 0.000 0.793 340 L CB -0.112 41.990 42.059 0.072 0.000 0.927 340 L HN 0.343 nan 8.230 nan 0.000 0.446 341 M N -2.413 117.168 119.600 -0.032 0.000 2.367 341 M HA 0.034 4.515 4.480 0.001 0.000 0.256 341 M C 0.982 177.190 176.300 -0.154 0.000 1.091 341 M CA 0.400 55.650 55.300 -0.083 0.000 1.049 341 M CB 0.491 33.018 32.600 -0.121 0.000 1.406 341 M HN 0.283 nan 8.290 nan 0.000 0.498 342 C N -1.755 117.392 119.300 -0.254 0.000 3.931 342 C HA 0.264 4.724 4.460 0.001 0.000 0.378 342 C C 1.617 176.411 174.990 -0.326 0.000 1.554 342 C CA -0.498 58.321 59.018 -0.332 0.000 1.926 342 C CB -0.482 26.966 27.740 -0.487 0.000 2.837 342 C HN 0.635 nan 8.230 nan 0.000 0.701 343 C N 0.666 119.780 119.300 -0.310 0.000 3.183 343 C HA 0.185 4.645 4.460 0.001 0.000 0.285 343 C C 0.748 175.675 174.990 -0.106 0.000 1.313 343 C CA -0.052 58.837 59.018 -0.214 0.000 1.711 343 C CB -1.199 26.391 27.740 -0.251 0.000 2.135 343 C HN 0.600 nan 8.230 nan 0.000 0.651 344 Q N 0.592 120.363 119.800 -0.049 0.000 2.274 344 Q HA 0.310 4.650 4.340 0.001 0.000 0.256 344 Q C -0.375 175.649 176.000 0.040 0.000 0.927 344 Q CA 0.047 55.884 55.803 0.057 0.000 0.939 344 Q CB 1.377 30.208 28.738 0.155 0.000 1.201 344 Q HN 0.468 nan 8.270 nan 0.000 0.426 345 C N 4.661 123.985 119.300 0.040 0.000 2.401 345 C HA 0.317 4.778 4.460 0.001 0.000 0.365 345 C C -1.269 173.709 174.990 -0.020 0.000 1.250 345 C CA -1.927 57.077 59.018 -0.023 0.000 2.131 345 C CB 0.302 27.987 27.740 -0.091 0.000 2.445 345 C HN 0.749 nan 8.230 nan 0.000 0.550 346 P HA -0.087 nan 4.420 nan 0.000 0.215 346 P C 1.533 178.789 177.300 -0.074 0.000 1.157 346 P CA 2.556 65.624 63.100 -0.053 0.000 0.868 346 P CB -0.017 31.659 31.700 -0.040 0.000 0.788 347 A N -0.892 121.878 122.820 -0.084 0.000 1.927 347 A HA 0.156 4.477 4.320 0.001 0.000 0.220 347 A C 1.300 178.811 177.584 -0.123 0.000 1.185 347 A CA 2.024 53.999 52.037 -0.103 0.000 0.639 347 A CB -1.359 17.552 19.000 -0.148 0.000 0.820 347 A HN 0.428 nan 8.150 nan 0.000 0.451 348 G N -4.867 103.848 108.800 -0.142 0.000 2.359 348 G HA2 0.552 4.512 3.960 0.001 0.000 0.314 348 G HA3 0.552 4.512 3.960 0.001 0.000 0.314 348 G C 0.390 175.240 174.900 -0.083 0.000 1.364 348 G CA 0.140 45.227 45.100 -0.023 0.000 0.978 348 G HN 2.319 nan 8.290 nan 0.000 0.615 349 G N -1.907 107.051 108.800 0.263 0.000 2.880 349 G HA2 0.284 4.245 3.960 0.001 0.000 0.617 349 G HA3 0.284 4.245 3.960 0.001 0.000 0.617 349 G C -0.625 174.199 174.900 -0.127 0.000 1.493 349 G CA 0.277 45.413 45.100 0.060 0.000 0.916 349 G HN 1.627 nan 8.290 nan 0.000 0.553 350 L N -0.403 120.719 121.223 -0.169 0.000 2.323 350 L HA 0.788 5.128 4.340 0.001 0.000 0.265 350 L C 0.802 177.620 176.870 -0.086 0.000 1.012 350 L CA -0.846 53.903 54.840 -0.150 0.000 0.820 350 L CB 1.726 43.663 42.059 -0.203 0.000 1.334 350 L HN 0.678 nan 8.230 nan 0.000 0.427 351 L N 0.102 121.293 121.223 -0.053 0.000 2.440 351 L HA 0.396 4.737 4.340 0.001 0.000 0.262 351 L C 0.996 177.985 176.870 0.199 0.000 1.072 351 L CA -0.501 54.351 54.840 0.020 0.000 0.798 351 L CB 0.661 42.705 42.059 -0.025 0.000 1.307 351 L HN 0.705 nan 8.230 nan 0.000 0.475 352 D N 0.337 120.921 120.400 0.307 0.000 2.096 352 D HA -0.034 4.606 4.640 0.001 0.000 0.214 352 D C 0.076 176.466 176.300 0.151 0.000 0.974 352 D CA 1.107 55.291 54.000 0.306 0.000 0.890 352 D CB 0.441 41.427 40.800 0.309 0.000 1.016 352 D HN 0.573 nan 8.370 nan 0.000 0.447 353 K N -0.485 119.988 120.400 0.120 0.000 2.433 353 K HA 0.578 4.898 4.320 0.001 0.000 0.252 353 K C -2.873 173.741 176.600 0.023 0.000 1.015 353 K CA -1.888 54.458 56.287 0.099 0.000 0.860 353 K CB 1.602 34.186 32.500 0.141 0.000 1.359 353 K HN -0.228 nan 8.250 nan 0.000 0.452 354 P HA -0.039 nan 4.420 nan 0.000 0.257 354 P C -0.028 177.263 177.300 -0.015 0.000 1.162 354 P CA 1.684 64.761 63.100 -0.037 0.000 0.762 354 P CB 0.144 31.807 31.700 -0.062 0.000 0.753 355 G N 2.668 111.456 108.800 -0.020 0.000 2.326 355 G HA2 -0.247 3.713 3.960 0.001 0.000 0.286 355 G HA3 -0.247 3.713 3.960 0.001 0.000 0.286 355 G C 0.503 175.400 174.900 -0.005 0.000 1.096 355 G CA 0.015 45.107 45.100 -0.015 0.000 1.003 355 G HN 0.546 nan 8.290 nan 0.000 0.503 356 K N -0.113 120.283 120.400 -0.006 0.000 2.520 356 K HA 0.491 4.812 4.320 0.001 0.000 0.206 356 K C 0.754 177.338 176.600 -0.026 0.000 1.122 356 K CA 0.513 56.804 56.287 0.006 0.000 1.045 356 K CB 0.563 33.093 32.500 0.050 0.000 0.932 356 K HN 1.051 nan 8.250 nan 0.000 0.571 357 S N 1.333 117.002 115.700 -0.051 0.000 3.027 357 S HA -0.128 4.342 4.470 0.001 0.000 0.857 357 S C -0.828 173.697 174.600 -0.125 0.000 0.980 357 S CA 0.192 58.343 58.200 -0.082 0.000 1.337 357 S CB -0.493 62.662 63.200 -0.075 0.000 0.952 357 S HN 0.510 nan 8.310 nan 0.000 0.241 358 R N 1.146 121.564 120.500 -0.137 0.000 2.491 358 R HA 0.522 4.862 4.340 0.001 0.000 0.283 358 R C -0.617 175.627 176.300 -0.093 0.000 1.072 358 R CA -0.130 55.869 56.100 -0.168 0.000 1.048 358 R CB -0.199 29.920 30.300 -0.301 0.000 0.983 358 R HN 0.723 nan 8.270 nan 0.000 0.450 359 D N 1.038 121.374 120.400 -0.106 0.000 2.937 359 D HA 0.129 4.769 4.640 0.001 0.000 0.215 359 D C -0.322 175.948 176.300 -0.050 0.000 1.274 359 D CA -0.832 53.175 54.000 0.012 0.000 0.869 359 D CB 0.429 41.180 40.800 -0.082 0.000 1.675 359 D HN 0.325 nan 8.370 nan 0.000 0.538 360 F N 0.441 120.491 119.950 0.167 0.000 2.304 360 F HA -0.187 4.341 4.527 0.001 0.000 0.301 360 F C 1.599 177.174 175.800 -0.375 0.000 1.052 360 F CA 1.092 59.072 58.000 -0.034 0.000 1.389 360 F CB -0.530 38.550 39.000 0.133 0.000 1.081 360 F HN 0.563 nan 8.300 nan 0.000 0.538 361 Y N 0.096 120.025 120.300 -0.617 0.000 2.138 361 Y HA -0.129 4.421 4.550 0.001 0.000 0.286 361 Y C 2.593 178.279 175.900 -0.357 0.000 1.115 361 Y CA 1.725 59.152 58.100 -1.122 0.000 1.105 361 Y CB -1.130 36.827 38.460 -0.839 0.000 1.004 361 Y HN 0.134 nan 8.280 nan 0.000 0.494 362 H N -1.148 117.598 119.070 -0.541 0.000 2.421 362 H HA -0.116 4.440 4.556 0.001 0.000 0.298 362 H C 1.796 176.897 175.328 -0.379 0.000 1.087 362 H CA 1.132 56.874 56.048 -0.509 0.000 1.330 362 H CB -0.241 29.363 29.762 -0.263 0.000 1.388 362 H HN 0.322 nan 8.280 nan 0.000 0.526 363 T N 0.080 114.522 114.554 -0.187 0.000 2.848 363 T HA -0.236 4.114 4.350 0.001 0.000 0.269 363 T C 2.220 176.779 174.700 -0.235 0.000 1.081 363 T CA 1.226 63.214 62.100 -0.187 0.000 1.125 363 T CB -0.434 68.343 68.868 -0.151 0.000 0.848 363 T HN 0.573 nan 8.240 nan 0.000 0.503 364 C N -0.189 118.916 119.300 -0.324 0.000 2.469 364 C HA 0.199 4.659 4.460 0.001 0.000 0.309 364 C C 2.031 176.704 174.990 -0.527 0.000 1.385 364 C CA -0.408 58.370 59.018 -0.400 0.000 1.890 364 C CB -1.099 26.369 27.740 -0.453 0.000 2.245 364 C HN 0.539 nan 8.230 nan 0.000 0.530 365 Y N 0.324 120.339 120.300 -0.475 0.000 2.583 365 Y HA 0.073 4.624 4.550 0.001 0.000 0.293 365 Y C 2.556 178.233 175.900 -0.372 0.000 1.157 365 Y CA 0.893 58.672 58.100 -0.535 0.000 1.315 365 Y CB -0.461 37.500 38.460 -0.832 0.000 1.021 365 Y HN 0.447 nan 8.280 nan 0.000 0.536 366 C N -1.204 117.978 119.300 -0.196 0.000 2.527 366 C HA 0.081 4.542 4.460 0.001 0.000 0.280 366 C C 2.489 177.401 174.990 -0.130 0.000 1.353 366 C CA 0.179 59.120 59.018 -0.128 0.000 1.749 366 C CB -0.767 26.894 27.740 -0.132 0.000 2.088 366 C HN 0.492 nan 8.230 nan 0.000 0.508 367 L N 0.453 121.560 121.223 -0.193 0.000 2.313 367 L HA -0.027 4.313 4.340 0.001 0.000 0.214 367 L C 2.386 179.142 176.870 -0.191 0.000 1.119 367 L CA 1.026 55.752 54.840 -0.190 0.000 0.809 367 L CB -0.422 41.498 42.059 -0.233 0.000 0.933 367 L HN 0.318 nan 8.230 nan 0.000 0.449 368 S N -0.047 115.517 115.700 -0.227 0.000 2.406 368 S HA -0.011 4.460 4.470 0.001 0.000 0.224 368 S C 2.006 176.564 174.600 -0.070 0.000 1.030 368 S CA 0.935 58.991 58.200 -0.241 0.000 0.958 368 S CB -0.151 62.724 63.200 -0.541 0.000 0.811 368 S HN 0.530 nan 8.310 nan 0.000 0.489 369 G N 1.901 110.699 108.800 -0.003 0.000 2.403 369 G HA2 -0.112 3.849 3.960 0.001 0.000 0.216 369 G HA3 -0.112 3.849 3.960 0.001 0.000 0.216 369 G C 1.387 176.351 174.900 0.106 0.000 1.154 369 G CA 0.594 45.754 45.100 0.101 0.000 0.784 369 G HN 0.377 nan 8.290 nan 0.000 0.538 370 L N 1.250 122.504 121.223 0.053 0.000 2.012 370 L HA -0.031 4.309 4.340 0.001 0.000 0.210 370 L C 2.903 179.811 176.870 0.062 0.000 1.073 370 L CA 2.508 57.393 54.840 0.074 0.000 0.748 370 L CB -0.895 41.174 42.059 0.017 0.000 0.891 370 L HN 0.235 nan 8.230 nan 0.000 0.431 371 S N -0.737 114.942 115.700 -0.035 0.000 2.374 371 S HA -0.174 4.296 4.470 0.001 0.000 0.227 371 S C 2.028 176.605 174.600 -0.038 0.000 1.037 371 S CA 1.568 59.664 58.200 -0.173 0.000 1.024 371 S CB -0.369 62.709 63.200 -0.203 0.000 0.861 371 S HN 0.434 nan 8.310 nan 0.000 0.456 372 I N 1.733 122.388 120.570 0.141 0.000 2.394 372 I HA -0.035 4.135 4.170 0.001 0.000 0.251 372 I C 2.576 179.013 176.117 0.533 0.000 1.136 372 I CA 1.229 62.708 61.300 0.298 0.000 1.425 372 I CB -1.714 36.438 38.000 0.254 0.000 1.079 372 I HN 0.394 nan 8.210 nan 0.000 0.425 373 A N -0.247 122.867 122.820 0.490 0.000 2.208 373 A HA -0.047 4.273 4.320 0.001 0.000 0.209 373 A C 1.944 179.762 177.584 0.390 0.000 1.161 373 A CA 0.497 52.906 52.037 0.621 0.000 0.782 373 A CB -0.227 19.107 19.000 0.557 0.000 0.816 373 A HN 0.537 nan 8.150 nan 0.000 0.477 374 Q N -1.271 118.721 119.800 0.321 0.000 2.245 374 Q HA 0.120 4.460 4.340 0.001 0.000 0.236 374 Q C -0.732 175.556 176.000 0.479 0.000 0.842 374 Q CA 0.075 56.055 55.803 0.294 0.000 0.945 374 Q CB 0.569 29.462 28.738 0.259 0.000 1.122 374 Q HN 0.655 nan 8.270 nan 0.000 0.506 375 H N -0.166 119.027 119.070 0.206 0.000 2.638 375 H HA 0.356 4.913 4.556 0.001 0.000 0.317 375 H C -1.693 173.765 175.328 0.217 0.000 1.006 375 H CA -1.107 55.041 56.048 0.167 0.000 1.222 375 H CB 0.446 30.321 29.762 0.189 0.000 1.419 375 H HN 0.016 nan 8.280 nan 0.000 0.489 376 F N 2.126 121.925 119.950 -0.251 0.000 2.508 376 F HA 0.741 5.268 4.527 0.001 0.000 0.325 376 F C -0.161 175.342 175.800 -0.495 0.000 1.090 376 F CA -0.369 57.114 58.000 -0.862 0.000 0.945 376 F CB 1.831 40.077 39.000 -1.257 0.000 1.156 376 F HN 0.607 nan 8.300 nan 0.000 0.463 377 G N 2.230 110.184 108.800 -1.410 0.000 2.658 377 G HA2 0.460 4.420 3.960 0.001 0.000 0.301 377 G HA3 0.460 4.420 3.960 0.001 0.000 0.301 377 G C -2.043 172.441 174.900 -0.694 0.000 1.481 377 G CA -0.735 43.956 45.100 -0.682 0.000 0.931 377 G HN 0.753 nan 8.290 nan 0.000 0.573 378 S N 0.682 116.163 115.700 -0.365 0.000 2.609 378 S HA 0.682 5.152 4.470 0.001 0.000 0.250 378 S C 0.698 175.276 174.600 -0.038 0.000 1.112 378 S CA 1.038 59.142 58.200 -0.159 0.000 1.102 378 S CB 0.156 63.353 63.200 -0.005 0.000 1.124 378 S HN 2.701 nan 8.310 nan 0.000 0.460 379 G N 3.707 112.477 108.800 -0.049 0.000 2.498 379 G HA2 -0.109 3.851 3.960 0.001 0.000 0.251 379 G HA3 -0.109 3.851 3.960 0.001 0.000 0.251 379 G C 1.058 175.970 174.900 0.020 0.000 1.170 379 G CA 0.081 45.184 45.100 0.005 0.000 0.944 379 G HN 1.607 nan 8.290 nan 0.000 0.567 380 A N -0.302 122.544 122.820 0.044 0.000 1.929 380 A HA 0.341 4.662 4.320 0.001 0.000 0.216 380 A C 1.710 179.319 177.584 0.041 0.000 1.176 380 A CA 2.113 54.172 52.037 0.038 0.000 0.628 380 A CB -0.448 18.576 19.000 0.041 0.000 0.816 380 A HN 0.896 nan 8.150 nan 0.000 0.444 381 M N -0.097 119.544 119.600 0.067 0.000 2.251 381 M HA 0.287 4.768 4.480 0.001 0.000 0.343 381 M C -0.783 175.567 176.300 0.084 0.000 1.245 381 M CA 0.827 56.184 55.300 0.096 0.000 1.061 381 M CB -0.520 32.189 32.600 0.181 0.000 1.723 381 M HN 0.194 nan 8.290 nan 0.000 0.449 382 L N 3.641 124.915 121.223 0.085 0.000 2.595 382 L HA 0.246 4.587 4.340 0.001 0.000 0.259 382 L C -1.065 175.846 176.870 0.067 0.000 1.033 382 L CA -0.330 54.538 54.840 0.046 0.000 0.901 382 L CB 1.008 43.062 42.059 -0.009 0.000 1.151 382 L HN 0.743 nan 8.230 nan 0.000 0.453 383 H N 1.462 120.522 119.070 -0.016 0.000 2.587 383 H HA 0.525 5.081 4.556 0.001 0.000 0.325 383 H C -1.261 173.951 175.328 -0.193 0.000 1.012 383 H CA -0.323 55.640 56.048 -0.143 0.000 1.213 383 H CB 1.148 30.747 29.762 -0.273 0.000 1.431 383 H HN 0.334 nan 8.280 nan 0.000 0.492 384 D N 3.453 123.473 120.400 -0.632 0.000 2.217 384 D HA 0.386 5.026 4.640 0.001 0.000 0.248 384 D C -0.535 175.407 176.300 -0.596 0.000 1.008 384 D CA -0.512 53.187 54.000 -0.503 0.000 0.914 384 D CB 2.263 42.877 40.800 -0.309 0.000 1.182 384 D HN 0.243 nan 8.370 nan 0.000 0.451 385 V N 1.333 121.057 119.914 -0.317 0.000 2.531 385 V HA 0.367 4.487 4.120 0.001 0.000 0.301 385 V C -0.315 175.766 176.094 -0.022 0.000 1.034 385 V CA -0.762 61.438 62.300 -0.167 0.000 0.865 385 V CB 2.052 33.822 31.823 -0.088 0.000 0.995 385 V HN 0.315 nan 8.190 nan 0.000 0.424 386 V N 5.525 125.439 119.914 -0.000 0.000 2.315 386 V HA 0.332 4.453 4.120 0.001 0.000 0.265 386 V C 0.210 176.335 176.094 0.052 0.000 1.019 386 V CA -0.505 61.820 62.300 0.043 0.000 0.824 386 V CB 1.006 32.850 31.823 0.034 0.000 1.072 386 V HN 0.753 nan 8.190 nan 0.000 0.448 387 M N 2.295 121.937 119.600 0.071 0.000 2.250 387 M HA 0.409 4.890 4.480 0.001 0.000 0.325 387 M C 1.240 177.583 176.300 0.071 0.000 1.084 387 M CA 1.641 56.984 55.300 0.072 0.000 1.161 387 M CB -0.011 32.642 32.600 0.088 0.000 1.481 387 M HN 0.852 nan 8.290 nan 0.000 0.449 388 G N 1.178 110.020 108.800 0.069 0.000 2.499 388 G HA2 -0.137 3.823 3.960 0.001 0.000 0.232 388 G HA3 -0.137 3.823 3.960 0.001 0.000 0.232 388 G C -0.427 174.508 174.900 0.058 0.000 1.251 388 G CA -0.262 44.882 45.100 0.073 0.000 0.917 388 G HN 1.192 nan 8.290 nan 0.000 0.580 389 V N -1.569 118.377 119.914 0.054 0.000 2.686 389 V HA 0.649 4.769 4.120 0.001 0.000 0.295 389 V C -0.956 175.159 176.094 0.035 0.000 1.057 389 V CA -0.642 61.682 62.300 0.040 0.000 1.012 389 V CB 1.517 33.360 31.823 0.035 0.000 1.006 389 V HN 0.537 nan 8.190 nan 0.000 0.477 390 P HA -0.004 nan 4.420 nan 0.000 0.236 390 P C 0.716 178.029 177.300 0.021 0.000 1.172 390 P CA 0.851 63.964 63.100 0.022 0.000 0.759 390 P CB 0.156 31.865 31.700 0.014 0.000 0.843 391 E N -1.206 119.006 120.200 0.020 0.000 2.489 391 E HA 0.013 4.363 4.350 0.001 0.000 0.193 391 E C 1.101 177.713 176.600 0.021 0.000 1.057 391 E CA 0.286 56.694 56.400 0.014 0.000 0.866 391 E CB -0.724 28.979 29.700 0.006 0.000 0.916 391 E HN 0.240 nan 8.360 nan 0.000 0.500 392 N N 0.056 118.776 118.700 0.034 0.000 2.398 392 N HA -0.013 4.727 4.740 0.001 0.000 0.188 392 N C -0.305 175.233 175.510 0.047 0.000 1.122 392 N CA 0.114 53.189 53.050 0.042 0.000 0.866 392 N CB 0.491 39.010 38.487 0.054 0.000 0.970 392 N HN -0.009 nan 8.380 nan 0.000 0.462 393 V N 2.884 122.830 119.914 0.053 0.000 2.420 393 V HA -0.002 4.119 4.120 0.001 0.000 0.274 393 V C 0.896 177.038 176.094 0.080 0.000 1.003 393 V CA 0.177 62.532 62.300 0.092 0.000 1.092 393 V CB -0.450 31.423 31.823 0.084 0.000 1.002 393 V HN 0.109 nan 8.190 nan 0.000 0.473 394 L N 4.155 125.414 121.223 0.059 0.000 2.454 394 L HA 0.388 4.729 4.340 0.001 0.000 0.256 394 L C 0.572 177.446 176.870 0.008 0.000 1.136 394 L CA -0.729 54.096 54.840 -0.025 0.000 0.804 394 L CB 0.568 42.557 42.059 -0.116 0.000 1.181 394 L HN 0.473 nan 8.230 nan 0.000 0.469 395 Q N 2.087 121.866 119.800 -0.035 0.000 2.293 395 Q HA 0.257 4.597 4.340 0.001 0.000 0.251 395 Q C -2.180 173.805 176.000 -0.024 0.000 0.930 395 Q CA -1.817 54.001 55.803 0.026 0.000 0.893 395 Q CB 0.854 29.580 28.738 -0.021 0.000 1.215 395 Q HN 0.252 nan 8.270 nan 0.000 0.425 396 P HA -0.046 nan 4.420 nan 0.000 0.267 396 P C -0.403 176.973 177.300 0.127 0.000 1.200 396 P CA 0.126 63.354 63.100 0.213 0.000 0.772 396 P CB 0.746 32.648 31.700 0.336 0.000 0.855 397 T N 1.115 115.761 114.554 0.154 0.000 2.921 397 T HA 0.138 4.488 4.350 0.001 0.000 0.297 397 T C -0.663 174.220 174.700 0.304 0.000 1.013 397 T CA -0.548 61.682 62.100 0.218 0.000 0.990 397 T CB 0.229 69.190 68.868 0.155 0.000 1.023 397 T HN 0.409 nan 8.240 nan 0.000 0.447 398 H N 7.086 126.313 119.070 0.262 0.000 3.046 398 H HA 0.178 4.735 4.556 0.001 0.000 0.303 398 H C -1.535 174.012 175.328 0.364 0.000 1.002 398 H CA -1.375 54.851 56.048 0.297 0.000 1.460 398 H CB 1.702 31.676 29.762 0.353 0.000 1.493 398 H HN 0.461 nan 8.280 nan 0.000 0.559 399 P HA -0.135 nan 4.420 nan 0.000 0.225 399 P C 1.179 178.865 177.300 0.644 0.000 1.148 399 P CA 0.639 64.043 63.100 0.507 0.000 0.779 399 P CB 0.620 32.405 31.700 0.142 0.000 0.780 400 V N -1.756 118.557 119.914 0.665 0.000 2.492 400 V HA -0.071 4.049 4.120 0.001 0.000 0.241 400 V C 1.957 178.250 176.094 0.333 0.000 1.041 400 V CA 1.413 63.860 62.300 0.245 0.000 1.057 400 V CB -1.159 30.554 31.823 -0.184 0.000 0.711 400 V HN -0.045 nan 8.190 nan 0.000 0.468 401 Y N -0.282 120.278 120.300 0.434 0.000 2.458 401 Y HA 0.329 4.879 4.550 0.001 0.000 0.256 401 Y C 1.219 177.360 175.900 0.401 0.000 1.159 401 Y CA -0.340 57.999 58.100 0.399 0.000 1.261 401 Y CB -0.588 37.911 38.460 0.067 0.000 1.119 401 Y HN 0.402 nan 8.280 nan 0.000 0.524 402 N N 1.609 120.646 118.700 0.562 0.000 2.707 402 N HA -0.221 4.519 4.740 0.001 0.000 0.253 402 N C -0.795 174.674 175.510 -0.069 0.000 0.998 402 N CA 0.979 54.126 53.050 0.162 0.000 0.751 402 N CB -1.255 37.125 38.487 -0.178 0.000 0.920 402 N HN 0.635 nan 8.380 nan 0.000 0.539 403 I N -4.344 116.362 120.570 0.227 0.000 2.994 403 I HA 0.673 4.844 4.170 0.001 0.000 0.306 403 I C 0.928 177.234 176.117 0.315 0.000 1.195 403 I CA -1.097 60.362 61.300 0.265 0.000 1.001 403 I CB 1.622 39.742 38.000 0.201 0.000 1.244 403 I HN 0.030 nan 8.210 nan 0.000 0.437 404 G N 3.352 112.309 108.800 0.261 0.000 2.115 404 G HA2 0.123 4.083 3.960 0.001 0.000 0.244 404 G HA3 0.123 4.083 3.960 0.001 0.000 0.244 404 G C -1.944 173.092 174.900 0.226 0.000 1.105 404 G CA -0.407 44.809 45.100 0.195 0.000 0.893 404 G HN 0.653 nan 8.290 nan 0.000 0.443 405 P HA -0.086 nan 4.420 nan 0.000 0.223 405 P C 1.446 178.873 177.300 0.211 0.000 1.144 405 P CA 1.385 64.659 63.100 0.291 0.000 0.783 405 P CB 0.245 32.082 31.700 0.228 0.000 0.771 406 D N -0.575 119.916 120.400 0.152 0.000 2.137 406 D HA -0.123 4.517 4.640 0.001 0.000 0.202 406 D C 1.452 177.816 176.300 0.106 0.000 0.970 406 D CA 1.015 55.082 54.000 0.112 0.000 0.837 406 D CB -0.572 40.279 40.800 0.084 0.000 0.981 406 D HN 0.072 nan 8.370 nan 0.000 0.475 407 K N 0.965 121.431 120.400 0.109 0.000 2.147 407 K HA -0.020 4.301 4.320 0.001 0.000 0.205 407 K C 2.475 179.131 176.600 0.095 0.000 1.049 407 K CA 0.285 56.634 56.287 0.104 0.000 0.936 407 K CB -0.559 31.997 32.500 0.093 0.000 0.722 407 K HN 0.164 nan 8.250 nan 0.000 0.446 408 V N 1.955 121.919 119.914 0.084 0.000 2.295 408 V HA -0.240 3.880 4.120 0.001 0.000 0.246 408 V C 2.381 178.492 176.094 0.028 0.000 1.049 408 V CA 1.542 63.841 62.300 -0.001 0.000 1.024 408 V CB -0.422 31.431 31.823 0.050 0.000 0.648 408 V HN 0.184 nan 8.190 nan 0.000 0.447 409 I N -0.374 120.246 120.570 0.084 0.000 2.142 409 I HA -0.319 3.851 4.170 0.001 0.000 0.240 409 I C 2.766 178.905 176.117 0.036 0.000 1.078 409 I CA 1.749 63.092 61.300 0.070 0.000 1.343 409 I CB -0.542 37.509 38.000 0.084 0.000 1.046 409 I HN 0.361 nan 8.210 nan 0.000 0.405 410 Q N 0.637 120.466 119.800 0.050 0.000 2.112 410 Q HA -0.262 4.079 4.340 0.001 0.000 0.206 410 Q C 2.390 178.332 176.000 -0.096 0.000 0.987 410 Q CA 1.928 57.748 55.803 0.028 0.000 0.858 410 Q CB -0.376 28.438 28.738 0.127 0.000 0.905 410 Q HN 0.617 nan 8.270 nan 0.000 0.420 411 A N 1.316 124.124 122.820 -0.019 0.000 1.834 411 A HA -0.253 4.067 4.320 0.001 0.000 0.216 411 A C 2.423 179.962 177.584 -0.076 0.000 1.203 411 A CA 2.473 54.459 52.037 -0.086 0.000 0.621 411 A CB -1.512 17.564 19.000 0.126 0.000 0.841 411 A HN 0.577 nan 8.150 nan 0.000 0.446 412 T N -2.477 112.088 114.554 0.019 0.000 2.580 412 T HA -0.227 4.123 4.350 0.001 0.000 0.265 412 T C 1.770 176.470 174.700 0.001 0.000 1.063 412 T CA 2.530 64.661 62.100 0.051 0.000 1.170 412 T CB -1.639 67.253 68.868 0.040 0.000 0.863 412 T HN 0.355 nan 8.240 nan 0.000 0.418 413 T N 0.801 115.345 114.554 -0.017 0.000 2.751 413 T HA -0.222 4.129 4.350 0.001 0.000 0.268 413 T C 1.684 176.342 174.700 -0.071 0.000 1.045 413 T CA 2.077 64.161 62.100 -0.026 0.000 1.142 413 T CB -0.629 68.231 68.868 -0.013 0.000 0.851 413 T HN 0.784 nan 8.240 nan 0.000 0.474 414 H N 0.142 119.036 119.070 -0.295 0.000 2.294 414 H HA 0.094 4.651 4.556 0.001 0.000 0.306 414 H C 1.714 176.819 175.328 -0.372 0.000 1.065 414 H CA 1.196 56.962 56.048 -0.469 0.000 1.343 414 H CB -0.613 28.553 29.762 -0.993 0.000 1.396 414 H HN 0.309 nan 8.280 nan 0.000 0.506 415 F N 0.592 120.300 119.950 -0.403 0.000 2.365 415 F HA 0.025 4.553 4.527 0.001 0.000 0.300 415 F C 1.464 177.144 175.800 -0.200 0.000 1.090 415 F CA 0.537 58.330 58.000 -0.344 0.000 1.408 415 F CB -0.398 38.492 39.000 -0.183 0.000 1.060 415 F HN 0.111 nan 8.300 nan 0.000 0.534 416 L N 0.839 122.075 121.223 0.022 0.000 2.912 416 L HA 0.014 4.354 4.340 0.001 0.000 0.246 416 L C 0.152 177.009 176.870 -0.022 0.000 1.371 416 L CA 0.632 55.481 54.840 0.016 0.000 1.196 416 L CB -0.848 41.224 42.059 0.021 0.000 1.596 416 L HN 0.248 nan 8.230 nan 0.000 0.429 417 Q N -0.379 119.391 119.800 -0.051 0.000 2.155 417 Q HA 0.255 4.596 4.340 0.001 0.000 0.278 417 Q C -0.638 175.333 176.000 -0.048 0.000 0.851 417 Q CA -0.218 55.551 55.803 -0.058 0.000 1.052 417 Q CB 1.101 29.782 28.738 -0.095 0.000 1.307 417 Q HN 0.170 nan 8.270 nan 0.000 0.403 418 K N 0.000 120.391 120.400 -0.014 0.000 2.780 418 K HA 0.000 4.320 4.320 0.001 0.000 0.191 418 K CA 0.000 56.289 56.287 0.003 0.000 0.838 418 K CB 0.000 32.516 32.500 0.027 0.000 1.064 418 K HN 0.000 nan 8.250 nan 0.000 0.543