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 1qlt_1_B DATA FIRST_RESID 6 DATA SEQUENCE EFRPLTLPPK LSLSDFNEFI QDIIRIVGSE NVEVISXXXX XVDGSYMKPT DATA SEQUENCE HTHDPHHVMD QDYFLASAIV APRNVADVQS IVGLANKFSF PLWPISIGRN DATA SEQUENCE SGYGGAAPRV SGSVVLDMGK NMNRVLEVNV EGAYCVVEPG VTYHDLHNYL DATA SEQUENCE EANNLRDKLW LDVPDLGGGS VLGNAVERGV GYTPYGDHWM MHSGMEVVLA DATA SEQUENCE NGELLRTGMG ALPDPKRPET MGLKPEDQPW SKIAHLFPYG FGPYIDGLFS DATA SEQUENCE QSNMGIVTKI GIWLMPNPGG YQSYLITLPK DGDLKQAVDI IRPLRLGMAL DATA SEQUENCE QNVPTIRHIL LDAAVLGDKR SYSSRTEPLS DEELDKIAKQ LNLGRWNFYG DATA SEQUENCE ALYGPEPIRR VLWETIKDAF SAIPGVKFYF PEDTPENSVL RVRDKTMQGI DATA SEQUENCE PTYDELKWID WLPNGAALFF SPIAKVSGED AMMQYAVTKK RCQEAGLDFI DATA SEQUENCE GTFTVGMREM HHIVCIVFNK KDLIQKRKVQ WLMRTLIDDC AANGWGEYRT DATA SEQUENCE HLAFMDQIME TYNWNNSSFL RFNEVLKNAV DPNGIIAPGK SGVWPSQYSH DATA SEQUENCE VTWKL 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 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.652 176.600 0.087 0.000 1.382 6 E CA 0.000 56.318 56.400 -0.137 0.000 0.976 6 E CB 0.000 29.747 29.700 0.079 0.000 0.812 7 F N 0.832 120.875 119.950 0.154 0.000 2.060 7 F HA 0.190 4.717 4.527 -0.001 0.000 0.295 7 F C 1.388 177.266 175.800 0.130 0.000 1.120 7 F CA 1.097 59.185 58.000 0.146 0.000 1.205 7 F CB -0.134 38.915 39.000 0.082 0.000 0.986 7 F HN 0.458 nan 8.300 nan 0.000 0.470 8 R N 0.932 121.616 120.500 0.307 0.000 2.521 8 R HA 0.371 4.711 4.340 -0.001 0.000 0.295 8 R C -2.920 173.372 176.300 -0.013 0.000 1.183 8 R CA -1.920 54.229 56.100 0.081 0.000 0.957 8 R CB 0.861 31.185 30.300 0.039 0.000 1.171 8 R HN -0.049 nan 8.270 nan 0.000 0.494 9 P HA 0.114 nan 4.420 nan 0.000 0.278 9 P C 0.472 177.686 177.300 -0.144 0.000 1.238 9 P CA -0.496 62.486 63.100 -0.197 0.000 0.794 9 P CB 1.131 32.528 31.700 -0.506 0.000 0.955 10 L N 0.560 121.737 121.223 -0.076 0.000 2.083 10 L HA -0.061 4.279 4.340 -0.001 0.000 0.209 10 L C 0.907 177.731 176.870 -0.077 0.000 1.083 10 L CA 1.659 56.462 54.840 -0.062 0.000 0.752 10 L CB -0.642 41.395 42.059 -0.037 0.000 0.899 10 L HN 0.437 nan 8.230 nan 0.000 0.433 11 T N 0.140 114.645 114.554 -0.082 0.000 2.879 11 T HA 0.545 4.894 4.350 -0.001 0.000 0.290 11 T C -0.491 174.146 174.700 -0.105 0.000 0.993 11 T CA -0.497 61.560 62.100 -0.072 0.000 0.975 11 T CB 2.292 71.144 68.868 -0.026 0.000 0.981 11 T HN -0.123 nan 8.240 nan 0.000 0.439 12 L N 4.805 125.955 121.223 -0.121 0.000 2.343 12 L HA 0.523 4.862 4.340 -0.001 0.000 0.275 12 L C -1.841 174.983 176.870 -0.076 0.000 1.056 12 L CA -2.306 52.441 54.840 -0.154 0.000 0.804 12 L CB 1.135 43.088 42.059 -0.176 0.000 1.203 12 L HN 0.371 nan 8.230 nan 0.000 0.440 13 P HA 0.187 nan 4.420 nan 0.000 0.272 13 P C -2.642 174.616 177.300 -0.070 0.000 1.240 13 P CA -1.508 61.539 63.100 -0.087 0.000 0.791 13 P CB -0.404 31.102 31.700 -0.323 0.000 0.978 14 P HA -0.020 nan 4.420 nan 0.000 0.265 14 P C 0.235 177.507 177.300 -0.048 0.000 1.187 14 P CA 0.569 63.704 63.100 0.057 0.000 0.766 14 P CB -0.084 31.689 31.700 0.121 0.000 0.820 15 K N -1.303 119.076 120.400 -0.036 0.000 3.445 15 K HA -0.234 4.085 4.320 -0.001 0.000 0.316 15 K C 0.188 176.757 176.600 -0.051 0.000 1.278 15 K CA 0.687 56.947 56.287 -0.045 0.000 0.976 15 K CB -1.655 30.814 32.500 -0.052 0.000 1.238 15 K HN 0.275 nan 8.250 nan 0.000 0.430 16 L N 1.099 122.270 121.223 -0.086 0.000 2.289 16 L HA 0.309 4.648 4.340 -0.001 0.000 0.285 16 L C 0.467 177.313 176.870 -0.040 0.000 1.049 16 L CA -0.028 54.761 54.840 -0.085 0.000 0.804 16 L CB 1.387 43.299 42.059 -0.245 0.000 1.195 16 L HN 0.187 nan 8.230 nan 0.000 0.428 17 S N 3.904 119.614 115.700 0.017 0.000 2.632 17 S HA 0.162 4.631 4.470 -0.001 0.000 0.267 17 S C 0.980 175.623 174.600 0.071 0.000 1.276 17 S CA -0.555 57.667 58.200 0.036 0.000 0.998 17 S CB 0.974 64.210 63.200 0.058 0.000 0.953 17 S HN 0.736 nan 8.310 nan 0.000 0.547 18 L N 2.159 123.418 121.223 0.060 0.000 2.046 18 L HA -0.012 4.327 4.340 -0.001 0.000 0.208 18 L C 2.758 179.728 176.870 0.165 0.000 1.077 18 L CA 2.305 57.201 54.840 0.094 0.000 0.747 18 L CB -1.546 40.547 42.059 0.056 0.000 0.896 18 L HN 0.998 nan 8.230 nan 0.000 0.432 19 S N -0.930 114.848 115.700 0.131 0.000 2.356 19 S HA -0.200 4.270 4.470 -0.001 0.000 0.223 19 S C 1.723 176.422 174.600 0.165 0.000 1.032 19 S CA 1.587 59.871 58.200 0.140 0.000 1.005 19 S CB -0.338 62.930 63.200 0.114 0.000 0.867 19 S HN 0.552 nan 8.310 nan 0.000 0.449 20 D N 0.191 120.698 120.400 0.178 0.000 2.144 20 D HA -0.057 4.582 4.640 -0.001 0.000 0.199 20 D C 1.529 177.888 176.300 0.099 0.000 0.984 20 D CA 0.864 54.989 54.000 0.208 0.000 0.834 20 D CB -0.507 40.466 40.800 0.289 0.000 0.955 20 D HN 0.511 nan 8.370 nan 0.000 0.465 21 F N 1.572 121.532 119.950 0.016 0.000 2.095 21 F HA -0.183 4.343 4.527 -0.001 0.000 0.298 21 F C 1.989 177.860 175.800 0.118 0.000 1.104 21 F CA 1.329 59.374 58.000 0.075 0.000 1.232 21 F CB -0.122 38.922 39.000 0.074 0.000 0.987 21 F HN -0.100 nan 8.300 nan 0.000 0.475 22 N N 0.278 119.136 118.700 0.264 0.000 2.142 22 N HA -0.213 4.527 4.740 -0.001 0.000 0.186 22 N C 1.960 177.465 175.510 -0.009 0.000 1.023 22 N CA 1.406 54.531 53.050 0.125 0.000 0.852 22 N CB -0.384 38.209 38.487 0.177 0.000 0.998 22 N HN 0.523 nan 8.380 nan 0.000 0.424 23 E N 0.288 120.492 120.200 0.008 0.000 2.051 23 E HA -0.191 4.158 4.350 -0.001 0.000 0.192 23 E C 1.876 178.382 176.600 -0.157 0.000 0.991 23 E CA 0.804 57.198 56.400 -0.010 0.000 0.799 23 E CB -0.135 29.642 29.700 0.128 0.000 0.748 23 E HN 0.228 nan 8.360 nan 0.000 0.449 24 F N 1.036 120.633 119.950 -0.588 0.000 2.043 24 F HA -0.262 4.265 4.527 -0.001 0.000 0.297 24 F C 2.139 177.650 175.800 -0.481 0.000 1.121 24 F CA 1.514 59.068 58.000 -0.743 0.000 1.199 24 F CB -0.339 38.150 39.000 -0.852 0.000 0.968 24 F HN 0.029 nan 8.300 nan 0.000 0.478 25 I N 0.695 121.077 120.570 -0.314 0.000 2.208 25 I HA -0.295 3.874 4.170 -0.001 0.000 0.245 25 I C 2.374 178.314 176.117 -0.296 0.000 1.097 25 I CA 1.323 62.398 61.300 -0.376 0.000 1.363 25 I CB -0.820 36.939 38.000 -0.403 0.000 1.051 25 I HN 0.257 nan 8.210 nan 0.000 0.413 26 Q N 0.014 119.682 119.800 -0.218 0.000 2.124 26 Q HA -0.202 4.137 4.340 -0.001 0.000 0.202 26 Q C 1.882 177.777 176.000 -0.175 0.000 0.977 26 Q CA 1.407 57.112 55.803 -0.164 0.000 0.850 26 Q CB -0.493 28.182 28.738 -0.106 0.000 0.901 26 Q HN 0.519 nan 8.270 nan 0.000 0.429 27 D N 0.050 120.319 120.400 -0.218 0.000 2.144 27 D HA -0.071 4.568 4.640 -0.001 0.000 0.200 27 D C 1.973 178.114 176.300 -0.265 0.000 0.978 27 D CA 0.703 54.578 54.000 -0.208 0.000 0.833 27 D CB 0.004 40.684 40.800 -0.200 0.000 0.961 27 D HN 0.275 nan 8.370 nan 0.000 0.470 28 I N 0.440 120.775 120.570 -0.392 0.000 2.406 28 I HA -0.142 4.027 4.170 -0.001 0.000 0.249 28 I C 2.358 178.336 176.117 -0.232 0.000 1.122 28 I CA 0.475 61.557 61.300 -0.363 0.000 1.431 28 I CB -0.064 37.633 38.000 -0.506 0.000 1.087 28 I HN -0.063 nan 8.210 nan 0.000 0.424 29 I N 0.856 121.301 120.570 -0.208 0.000 2.226 29 I HA -0.279 3.891 4.170 -0.001 0.000 0.245 29 I C 2.723 178.770 176.117 -0.117 0.000 1.100 29 I CA 1.372 62.586 61.300 -0.144 0.000 1.374 29 I CB -0.327 37.594 38.000 -0.131 0.000 1.057 29 I HN 0.173 nan 8.210 nan 0.000 0.413 30 R N 0.516 120.945 120.500 -0.120 0.000 2.081 30 R HA -0.143 4.197 4.340 -0.001 0.000 0.235 30 R C 2.256 178.503 176.300 -0.089 0.000 1.131 30 R CA 1.411 57.456 56.100 -0.091 0.000 0.960 30 R CB -0.393 29.858 30.300 -0.081 0.000 0.856 30 R HN 0.358 nan 8.270 nan 0.000 0.436 31 I N 0.211 120.716 120.570 -0.110 0.000 2.193 31 I HA -0.189 3.981 4.170 -0.001 0.000 0.240 31 I C 2.230 178.294 176.117 -0.087 0.000 1.084 31 I CA 1.094 62.335 61.300 -0.098 0.000 1.365 31 I CB -0.054 37.876 38.000 -0.118 0.000 1.064 31 I HN 0.049 nan 8.210 nan 0.000 0.410 32 V N -1.849 118.005 119.914 -0.099 0.000 3.590 32 V HA 0.539 4.659 4.120 -0.001 0.000 0.265 32 V C 0.800 176.854 176.094 -0.066 0.000 1.239 32 V CA 0.217 62.469 62.300 -0.080 0.000 1.117 32 V CB -0.702 31.067 31.823 -0.090 0.000 0.818 32 V HN 0.489 nan 8.190 nan 0.000 0.451 33 G N 0.971 109.730 108.800 -0.068 0.000 2.784 33 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.686 33 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.686 33 G C 0.372 175.240 174.900 -0.053 0.000 1.156 33 G CA 0.294 45.362 45.100 -0.053 0.000 0.757 33 G HN 1.297 nan 8.290 nan 0.000 0.642 34 S N 0.127 115.799 115.700 -0.047 0.000 2.419 34 S HA -0.121 4.349 4.470 -0.001 0.000 0.235 34 S C 1.687 176.272 174.600 -0.026 0.000 1.019 34 S CA 1.952 60.126 58.200 -0.042 0.000 0.982 34 S CB -0.067 63.110 63.200 -0.038 0.000 0.789 34 S HN 0.681 nan 8.310 nan 0.000 0.490 35 E N 1.903 122.091 120.200 -0.020 0.000 2.268 35 E HA 0.040 4.389 4.350 -0.001 0.000 0.195 35 E C 0.934 177.529 176.600 -0.008 0.000 0.995 35 E CA 0.542 56.937 56.400 -0.009 0.000 0.836 35 E CB -0.425 29.270 29.700 -0.008 0.000 0.763 35 E HN 0.603 nan 8.360 nan 0.000 0.491 36 N N 0.014 118.701 118.700 -0.022 0.000 2.203 36 N HA 0.055 4.795 4.740 -0.001 0.000 0.207 36 N C -0.549 174.942 175.510 -0.031 0.000 1.130 36 N CA 0.079 53.113 53.050 -0.026 0.000 0.861 36 N CB 1.490 39.953 38.487 -0.040 0.000 1.005 36 N HN -0.102 nan 8.380 nan 0.000 0.507 37 V N 0.748 120.646 119.914 -0.028 0.000 2.540 37 V HA 0.361 4.481 4.120 -0.001 0.000 0.302 37 V C -0.228 175.874 176.094 0.012 0.000 1.035 37 V CA -0.744 61.539 62.300 -0.029 0.000 0.873 37 V CB 2.810 34.595 31.823 -0.065 0.000 0.992 37 V HN -0.003 nan 8.190 nan 0.000 0.428 38 E N 3.232 123.460 120.200 0.047 0.000 2.260 38 E HA 0.503 4.853 4.350 -0.001 0.000 0.266 38 E C -1.768 174.909 176.600 0.128 0.000 0.887 38 E CA -0.443 56.006 56.400 0.082 0.000 0.777 38 E CB 2.339 32.095 29.700 0.093 0.000 1.205 38 E HN 0.451 nan 8.360 nan 0.000 0.414 39 V N 5.515 125.518 119.914 0.149 0.000 2.432 39 V HA 0.203 4.323 4.120 -0.001 0.000 0.275 39 V C 0.258 176.454 176.094 0.171 0.000 1.043 39 V CA -0.602 61.831 62.300 0.221 0.000 0.925 39 V CB 1.120 33.113 31.823 0.284 0.000 0.985 39 V HN 0.609 nan 8.190 nan 0.000 0.466 40 I N 5.051 125.718 120.570 0.162 0.000 2.278 40 I HA 0.282 4.451 4.170 -0.001 0.000 0.296 40 I C 0.700 176.858 176.117 0.069 0.000 1.121 40 I CA 0.594 61.957 61.300 0.106 0.000 1.267 40 I CB -0.307 37.754 38.000 0.101 0.000 1.447 40 I HN 0.583 nan 8.210 nan 0.000 0.509 48 D N 2.748 123.310 120.400 0.271 0.000 2.264 48 D HA 0.140 4.780 4.640 -0.001 0.000 0.208 48 D C 1.520 177.881 176.300 0.101 0.000 0.966 48 D CA 1.845 56.016 54.000 0.286 0.000 0.864 48 D CB 0.169 41.098 40.800 0.216 0.000 0.933 48 D HN 1.136 nan 8.370 nan 0.000 0.499 49 G N 0.394 109.235 108.800 0.068 0.000 2.574 49 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.282 49 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.282 49 G C 0.152 175.045 174.900 -0.010 0.000 1.257 49 G CA 0.720 45.828 45.100 0.015 0.000 0.956 49 G HN 0.586 nan 8.290 nan 0.000 0.560 50 S N -2.612 113.075 115.700 -0.022 0.000 2.806 50 S HA 0.625 5.095 4.470 -0.001 0.000 0.306 50 S C 0.399 175.012 174.600 0.023 0.000 1.167 50 S CA 0.355 58.554 58.200 -0.002 0.000 0.847 50 S CB 1.582 64.781 63.200 -0.002 0.000 1.216 50 S HN 1.458 nan 8.310 nan 0.000 0.532 51 Y N 0.764 121.043 120.300 -0.034 0.000 2.263 51 Y HA 0.039 4.589 4.550 -0.001 0.000 0.292 51 Y C 2.302 178.181 175.900 -0.035 0.000 1.130 51 Y CA 1.653 59.751 58.100 -0.003 0.000 1.179 51 Y CB -0.502 37.964 38.460 0.010 0.000 0.998 51 Y HN 0.593 nan 8.280 nan 0.000 0.532 52 M N 0.276 119.883 119.600 0.011 0.000 2.082 52 M HA -0.229 4.251 4.480 -0.001 0.000 0.258 52 M C 0.215 176.442 176.300 -0.123 0.000 1.071 52 M CA 1.926 57.181 55.300 -0.075 0.000 1.103 52 M CB -0.219 32.353 32.600 -0.047 0.000 1.307 52 M HN -0.031 nan 8.290 nan 0.000 0.409 53 K N 0.682 121.021 120.400 -0.101 0.000 2.687 53 K HA 0.379 4.698 4.320 -0.001 0.000 0.197 53 K C -2.650 173.859 176.600 -0.151 0.000 1.049 53 K CA -1.564 54.656 56.287 -0.112 0.000 1.030 53 K CB 0.585 33.038 32.500 -0.077 0.000 1.261 53 K HN 0.041 nan 8.250 nan 0.000 0.565 54 P HA -0.135 nan 4.420 nan 0.000 0.266 54 P C 0.313 177.406 177.300 -0.345 0.000 1.180 54 P CA 0.349 63.321 63.100 -0.212 0.000 0.765 54 P CB 0.538 32.133 31.700 -0.175 0.000 0.806 55 T N 0.959 115.391 114.554 -0.204 0.000 2.882 55 T HA 0.167 4.516 4.350 -0.001 0.000 0.287 55 T C 0.422 175.016 174.700 -0.176 0.000 1.014 55 T CA -0.072 61.931 62.100 -0.162 0.000 1.049 55 T CB -0.017 68.857 68.868 0.010 0.000 1.001 55 T HN 0.429 nan 8.240 nan 0.000 0.525 56 H N 0.555 119.691 119.070 0.110 0.000 2.767 56 H HA 0.225 4.781 4.556 -0.001 0.000 0.260 56 H C 1.550 176.968 175.328 0.151 0.000 1.172 56 H CA 0.155 56.272 56.048 0.115 0.000 1.048 56 H CB 0.721 30.543 29.762 0.100 0.000 1.697 56 H HN 0.710 nan 8.280 nan 0.000 0.606 57 T N -2.339 112.393 114.554 0.295 0.000 3.038 57 T HA 0.041 4.390 4.350 -0.001 0.000 0.244 57 T C 0.760 175.656 174.700 0.327 0.000 1.016 57 T CA 0.171 62.447 62.100 0.295 0.000 1.098 57 T CB 0.430 69.468 68.868 0.284 0.000 0.954 57 T HN 0.426 nan 8.240 nan 0.000 0.469 58 H N -0.398 118.756 119.070 0.140 0.000 2.984 58 H HA 0.553 5.108 4.556 -0.001 0.000 0.277 58 H C -2.002 173.450 175.328 0.207 0.000 1.502 58 H CA -0.802 55.346 56.048 0.166 0.000 1.195 58 H CB 0.640 30.495 29.762 0.155 0.000 1.866 58 H HN 0.018 nan 8.280 nan 0.000 0.594 59 D N 2.060 122.507 120.400 0.079 0.000 2.352 59 D HA 0.190 4.829 4.640 -0.001 0.000 0.245 59 D C -1.547 174.803 176.300 0.083 0.000 1.224 59 D CA -2.340 51.746 54.000 0.142 0.000 0.879 59 D CB 1.189 42.259 40.800 0.450 0.000 1.057 59 D HN 0.212 nan 8.370 nan 0.000 0.491 60 P HA -0.089 nan 4.420 nan 0.000 0.225 60 P C 0.229 177.441 177.300 -0.146 0.000 1.156 60 P CA 0.825 63.881 63.100 -0.073 0.000 0.787 60 P CB 0.273 31.903 31.700 -0.116 0.000 0.802 61 H N -0.496 118.583 119.070 0.016 0.000 2.539 61 H HA 0.114 4.670 4.556 -0.001 0.000 0.293 61 H C 0.138 175.565 175.328 0.164 0.000 1.156 61 H CA -0.519 55.507 56.048 -0.037 0.000 1.012 61 H CB -0.822 28.970 29.762 0.049 0.000 1.600 61 H HN 0.414 nan 8.280 nan 0.000 0.538 62 H N -0.908 118.385 119.070 0.372 0.000 3.145 62 H HA 0.060 4.616 4.556 -0.001 0.000 0.288 62 H C 1.384 176.987 175.328 0.459 0.000 0.969 62 H CA -0.089 56.208 56.048 0.414 0.000 1.444 62 H CB 0.661 30.627 29.762 0.340 0.000 1.500 62 H HN 0.130 nan 8.280 nan 0.000 0.552 63 V N 1.247 121.431 119.914 0.449 0.000 2.685 63 V HA 0.048 4.168 4.120 -0.001 0.000 0.244 63 V C 0.891 177.052 176.094 0.111 0.000 1.054 63 V CA 0.359 62.757 62.300 0.162 0.000 1.076 63 V CB -0.061 31.739 31.823 -0.038 0.000 0.725 63 V HN 0.554 nan 8.190 nan 0.000 0.467 64 M N 0.860 120.537 119.600 0.128 0.000 2.116 64 M HA 0.441 4.920 4.480 -0.001 0.000 0.235 64 M C -0.051 176.272 176.300 0.039 0.000 1.193 64 M CA -0.645 54.605 55.300 -0.083 0.000 0.959 64 M CB -0.400 31.959 32.600 -0.402 0.000 1.313 64 M HN 0.194 nan 8.290 nan 0.000 0.530 65 D N 1.208 121.573 120.400 -0.059 0.000 2.449 65 D HA -0.057 4.583 4.640 -0.001 0.000 0.236 65 D C 0.915 177.234 176.300 0.032 0.000 1.149 65 D CA 0.204 54.212 54.000 0.015 0.000 0.878 65 D CB 0.536 41.347 40.800 0.020 0.000 1.198 65 D HN 0.511 nan 8.370 nan 0.000 0.446 66 Q N 0.959 120.657 119.800 -0.169 0.000 2.152 66 Q HA -0.211 4.129 4.340 -0.001 0.000 0.206 66 Q C 0.708 176.700 176.000 -0.014 0.000 0.985 66 Q CA 1.552 57.169 55.803 -0.309 0.000 0.863 66 Q CB 0.217 28.603 28.738 -0.587 0.000 0.904 66 Q HN 0.512 nan 8.270 nan 0.000 0.422 67 D N -1.308 119.079 120.400 -0.021 0.000 2.368 67 D HA -0.092 4.547 4.640 -0.001 0.000 0.218 67 D C 1.104 177.422 176.300 0.030 0.000 1.112 67 D CA -0.276 53.725 54.000 0.002 0.000 0.834 67 D CB -0.423 40.347 40.800 -0.050 0.000 0.953 67 D HN 0.307 nan 8.370 nan 0.000 0.505 68 Y N 0.964 121.205 120.300 -0.098 0.000 2.145 68 Y HA 0.041 4.591 4.550 -0.001 0.000 0.286 68 Y C 0.015 175.732 175.900 -0.306 0.000 1.145 68 Y CA 1.094 59.036 58.100 -0.264 0.000 1.148 68 Y CB 0.023 38.237 38.460 -0.410 0.000 0.981 68 Y HN -0.196 nan 8.280 nan 0.000 0.507 69 F N 1.103 121.137 119.950 0.139 0.000 2.325 69 F HA 0.456 4.982 4.527 -0.001 0.000 0.369 69 F C -0.850 174.979 175.800 0.048 0.000 1.095 69 F CA -1.028 56.992 58.000 0.034 0.000 1.082 69 F CB 1.166 40.210 39.000 0.073 0.000 1.289 69 F HN -0.211 nan 8.300 nan 0.000 0.462 70 L N 2.804 124.127 121.223 0.167 0.000 2.464 70 L HA 0.856 5.196 4.340 -0.001 0.000 0.266 70 L C -0.518 176.421 176.870 0.116 0.000 0.965 70 L CA -0.615 54.307 54.840 0.137 0.000 0.833 70 L CB 1.697 43.804 42.059 0.080 0.000 1.296 70 L HN 0.550 nan 8.230 nan 0.000 0.405 71 A N 2.238 125.141 122.820 0.137 0.000 2.386 71 A HA 0.478 4.797 4.320 -0.001 0.000 0.248 71 A C 1.027 178.713 177.584 0.170 0.000 1.082 71 A CA 0.438 52.573 52.037 0.164 0.000 0.789 71 A CB 0.281 19.392 19.000 0.184 0.000 1.025 71 A HN 1.054 nan 8.150 nan 0.000 0.490 72 S N 0.500 116.340 115.700 0.234 0.000 2.439 72 S HA 0.476 4.946 4.470 -0.001 0.000 0.224 72 S C 0.660 175.455 174.600 0.324 0.000 1.029 72 S CA 0.657 58.998 58.200 0.235 0.000 0.946 72 S CB -0.202 63.203 63.200 0.341 0.000 0.797 72 S HN 2.006 nan 8.310 nan 0.000 0.504 73 A N 0.144 123.163 122.820 0.332 0.000 2.604 73 A HA 0.738 5.057 4.320 -0.001 0.000 0.295 73 A C -1.746 175.946 177.584 0.178 0.000 1.067 73 A CA -0.810 51.389 52.037 0.270 0.000 0.683 73 A CB 0.884 20.056 19.000 0.286 0.000 1.281 73 A HN 0.224 nan 8.150 nan 0.000 0.407 74 I N 0.916 121.566 120.570 0.135 0.000 2.378 74 I HA 0.545 4.714 4.170 -0.001 0.000 0.291 74 I C -0.547 175.594 176.117 0.039 0.000 0.992 74 I CA -0.455 60.904 61.300 0.099 0.000 1.154 74 I CB 1.938 40.010 38.000 0.121 0.000 1.315 74 I HN 0.325 nan 8.210 nan 0.000 0.448 75 V N 5.266 125.180 119.914 0.001 0.000 2.540 75 V HA 0.753 4.873 4.120 -0.001 0.000 0.302 75 V C -0.070 175.989 176.094 -0.058 0.000 1.035 75 V CA -0.757 61.518 62.300 -0.042 0.000 0.873 75 V CB 1.809 33.586 31.823 -0.077 0.000 0.992 75 V HN 0.788 nan 8.190 nan 0.000 0.428 76 A N 7.319 130.103 122.820 -0.060 0.000 2.412 76 A HA 0.753 5.073 4.320 -0.001 0.000 0.334 76 A C -2.461 175.084 177.584 -0.064 0.000 1.419 76 A CA -1.640 50.358 52.037 -0.065 0.000 0.930 76 A CB 0.280 19.250 19.000 -0.052 0.000 1.149 76 A HN 0.573 nan 8.150 nan 0.000 0.515 77 P HA 0.082 nan 4.420 nan 0.000 0.267 77 P C 0.263 177.531 177.300 -0.053 0.000 1.200 77 P CA 0.038 63.099 63.100 -0.065 0.000 0.772 77 P CB 0.830 32.491 31.700 -0.065 0.000 0.855 78 R N 1.760 122.231 120.500 -0.049 0.000 2.161 78 R HA 0.087 4.426 4.340 -0.001 0.000 0.213 78 R C 1.195 177.474 176.300 -0.035 0.000 1.055 78 R CA 0.757 56.834 56.100 -0.038 0.000 0.996 78 R CB -0.164 30.115 30.300 -0.035 0.000 0.901 78 R HN 0.693 nan 8.270 nan 0.000 0.456 79 N N -2.541 116.135 118.700 -0.039 0.000 3.378 79 N HA 0.044 4.784 4.740 -0.001 0.000 0.294 79 N C 0.351 175.837 175.510 -0.040 0.000 1.544 79 N CA -0.629 52.400 53.050 -0.034 0.000 0.872 79 N CB 1.104 39.574 38.487 -0.029 0.000 1.670 79 N HN -0.325 nan 8.380 nan 0.000 0.551 80 V N 0.305 120.196 119.914 -0.038 0.000 2.427 80 V HA -0.171 3.949 4.120 -0.001 0.000 0.248 80 V C 2.728 178.793 176.094 -0.048 0.000 1.051 80 V CA 2.512 64.785 62.300 -0.044 0.000 1.048 80 V CB -1.330 30.466 31.823 -0.044 0.000 0.666 80 V HN 0.822 nan 8.190 nan 0.000 0.456 81 A N 0.154 122.947 122.820 -0.044 0.000 1.940 81 A HA -0.284 4.036 4.320 -0.001 0.000 0.219 81 A C 1.952 179.506 177.584 -0.050 0.000 1.176 81 A CA 2.227 54.237 52.037 -0.045 0.000 0.631 81 A CB -0.621 18.354 19.000 -0.040 0.000 0.814 81 A HN 0.543 nan 8.150 nan 0.000 0.446 82 D N -0.424 119.945 120.400 -0.053 0.000 2.144 82 D HA -0.075 4.565 4.640 -0.001 0.000 0.200 82 D C 2.035 178.295 176.300 -0.067 0.000 0.978 82 D CA 1.307 55.268 54.000 -0.064 0.000 0.833 82 D CB -0.413 40.346 40.800 -0.067 0.000 0.961 82 D HN 0.237 nan 8.370 nan 0.000 0.470 83 V N 0.942 120.819 119.914 -0.060 0.000 2.343 83 V HA -0.261 3.859 4.120 -0.001 0.000 0.247 83 V C 2.388 178.452 176.094 -0.050 0.000 1.051 83 V CA 1.579 63.844 62.300 -0.058 0.000 1.036 83 V CB -0.590 31.198 31.823 -0.058 0.000 0.654 83 V HN 0.222 nan 8.190 nan 0.000 0.451 84 Q N -0.059 119.713 119.800 -0.047 0.000 2.084 84 Q HA -0.163 4.177 4.340 -0.001 0.000 0.202 84 Q C 2.509 178.489 176.000 -0.033 0.000 0.978 84 Q CA 1.924 57.705 55.803 -0.038 0.000 0.844 84 Q CB -0.272 28.443 28.738 -0.039 0.000 0.898 84 Q HN 0.623 nan 8.270 nan 0.000 0.426 85 S N 0.821 116.494 115.700 -0.044 0.000 2.368 85 S HA -0.091 4.378 4.470 -0.001 0.000 0.224 85 S C 1.976 176.542 174.600 -0.056 0.000 1.029 85 S CA 0.881 59.052 58.200 -0.049 0.000 0.988 85 S CB -0.167 62.994 63.200 -0.065 0.000 0.838 85 S HN 0.256 nan 8.310 nan 0.000 0.462 86 I N 1.335 121.860 120.570 -0.076 0.000 2.226 86 I HA -0.149 4.021 4.170 -0.001 0.000 0.245 86 I C 2.160 178.273 176.117 -0.005 0.000 1.100 86 I CA 0.831 62.077 61.300 -0.090 0.000 1.374 86 I CB -0.448 37.488 38.000 -0.106 0.000 1.057 86 I HN 0.122 nan 8.210 nan 0.000 0.413 87 V N 1.011 120.928 119.914 0.006 0.000 2.392 87 V HA -0.252 3.868 4.120 -0.001 0.000 0.249 87 V C 2.580 178.714 176.094 0.067 0.000 1.059 87 V CA 2.166 64.490 62.300 0.041 0.000 1.051 87 V CB -1.536 30.295 31.823 0.013 0.000 0.658 87 V HN 0.598 nan 8.190 nan 0.000 0.455 88 G N -0.105 108.720 108.800 0.041 0.000 2.459 88 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.217 88 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.217 88 G C 1.560 176.525 174.900 0.108 0.000 1.183 88 G CA 1.072 46.202 45.100 0.051 0.000 0.776 88 G HN 0.458 nan 8.290 nan 0.000 0.552 89 L N 0.613 121.913 121.223 0.128 0.000 2.046 89 L HA -0.079 4.261 4.340 -0.001 0.000 0.208 89 L C 3.433 180.626 176.870 0.540 0.000 1.077 89 L CA 1.075 56.085 54.840 0.285 0.000 0.747 89 L CB -0.527 41.554 42.059 0.038 0.000 0.896 89 L HN 0.337 nan 8.230 nan 0.000 0.432 90 A N -0.010 123.070 122.820 0.433 0.000 1.933 90 A HA -0.200 4.119 4.320 -0.001 0.000 0.218 90 A C 2.083 179.871 177.584 0.341 0.000 1.175 90 A CA 1.674 53.998 52.037 0.478 0.000 0.628 90 A CB -0.494 18.694 19.000 0.312 0.000 0.814 90 A HN 0.427 nan 8.150 nan 0.000 0.444 91 N N -0.287 118.546 118.700 0.222 0.000 2.142 91 N HA -0.135 4.605 4.740 -0.001 0.000 0.186 91 N C 1.756 177.332 175.510 0.110 0.000 1.023 91 N CA 1.525 54.659 53.050 0.140 0.000 0.852 91 N CB -0.264 38.273 38.487 0.084 0.000 0.998 91 N HN 0.656 nan 8.380 nan 0.000 0.424 92 K N -0.006 120.456 120.400 0.103 0.000 2.032 92 K HA -0.074 4.246 4.320 -0.001 0.000 0.209 92 K C 1.107 177.605 176.600 -0.171 0.000 1.048 92 K CA 1.318 57.562 56.287 -0.071 0.000 0.927 92 K CB -0.101 32.306 32.500 -0.155 0.000 0.712 92 K HN 0.049 nan 8.250 nan 0.000 0.441 93 F N 0.649 120.710 119.950 0.187 0.000 2.727 93 F HA 0.219 4.746 4.527 -0.001 0.000 0.302 93 F C 0.393 176.251 175.800 0.096 0.000 1.097 93 F CA -0.067 58.030 58.000 0.162 0.000 1.330 93 F CB 0.490 39.649 39.000 0.264 0.000 1.084 93 F HN -0.169 nan 8.300 nan 0.000 0.578 94 S N 0.786 116.629 115.700 0.239 0.000 3.697 94 S HA -0.244 4.226 4.470 -0.001 0.000 0.388 94 S C -0.440 174.257 174.600 0.161 0.000 0.941 94 S CA 0.027 58.324 58.200 0.161 0.000 1.247 94 S CB -1.736 61.510 63.200 0.076 0.000 0.904 94 S HN 0.278 nan 8.310 nan 0.000 0.518 95 F N 3.086 123.084 119.950 0.079 0.000 2.449 95 F HA 0.514 5.040 4.527 -0.001 0.000 0.342 95 F C -2.393 173.436 175.800 0.047 0.000 1.127 95 F CA -2.385 55.593 58.000 -0.037 0.000 0.975 95 F CB 1.352 40.135 39.000 -0.361 0.000 1.146 95 F HN -0.048 nan 8.300 nan 0.000 0.444 96 P HA 0.234 nan 4.420 nan 0.000 0.276 96 P C -0.836 176.658 177.300 0.322 0.000 1.230 96 P CA -0.013 63.274 63.100 0.312 0.000 0.776 96 P CB 0.999 32.839 31.700 0.233 0.000 0.888 97 L N 3.080 124.426 121.223 0.206 0.000 2.325 97 L HA 0.434 4.773 4.340 -0.001 0.000 0.279 97 L C 0.194 177.180 176.870 0.193 0.000 1.054 97 L CA -0.469 54.467 54.840 0.161 0.000 0.804 97 L CB 1.622 43.729 42.059 0.080 0.000 1.200 97 L HN 0.448 nan 8.230 nan 0.000 0.436 98 W N 6.579 127.887 121.300 0.012 0.000 2.394 98 W HA 0.330 4.990 4.660 -0.001 0.000 0.312 98 W C -2.523 173.982 176.519 -0.024 0.000 0.981 98 W CA -1.897 55.439 57.345 -0.016 0.000 1.519 98 W CB 1.605 31.065 29.460 0.001 0.000 1.304 98 W HN 0.244 nan 8.180 nan 0.000 0.412 99 P HA 0.143 nan 4.420 nan 0.000 0.271 99 P C -0.315 176.788 177.300 -0.328 0.000 1.220 99 P CA 0.499 63.438 63.100 -0.268 0.000 0.768 99 P CB 1.263 32.809 31.700 -0.257 0.000 0.848 100 I N -1.136 119.348 120.570 -0.143 0.000 3.002 100 I HA 0.543 4.713 4.170 -0.001 0.000 0.310 100 I C 0.423 176.498 176.117 -0.070 0.000 1.087 100 I CA -0.804 60.451 61.300 -0.076 0.000 1.017 100 I CB 2.072 40.105 38.000 0.054 0.000 1.226 100 I HN -0.003 nan 8.210 nan 0.000 0.443 101 S N 2.099 117.777 115.700 -0.037 0.000 2.527 101 S HA 0.341 4.810 4.470 -0.001 0.000 0.225 101 S C 1.266 175.860 174.600 -0.010 0.000 1.046 101 S CA 0.425 58.603 58.200 -0.036 0.000 0.929 101 S CB 0.198 63.379 63.200 -0.032 0.000 0.851 101 S HN 0.661 nan 8.310 nan 0.000 0.565 102 I N -0.046 120.546 120.570 0.036 0.000 4.124 102 I HA 0.259 4.429 4.170 -0.001 0.000 0.311 102 I C 1.611 177.818 176.117 0.150 0.000 1.259 102 I CA 1.024 62.369 61.300 0.075 0.000 1.315 102 I CB -0.622 37.416 38.000 0.063 0.000 1.223 102 I HN 0.503 nan 8.210 nan 0.000 0.441 103 G N 2.103 110.994 108.800 0.152 0.000 2.137 103 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.237 103 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.237 103 G C 0.706 175.711 174.900 0.174 0.000 1.002 103 G CA -0.025 45.205 45.100 0.217 0.000 0.702 103 G HN 0.368 nan 8.290 nan 0.000 0.515 104 R N -0.035 120.552 120.500 0.145 0.000 3.351 104 R HA 0.175 4.514 4.340 -0.001 0.000 0.296 104 R C 0.712 177.165 176.300 0.255 0.000 1.427 104 R CA -0.462 55.731 56.100 0.156 0.000 1.257 104 R CB -0.076 30.270 30.300 0.077 0.000 1.378 104 R HN 0.122 nan 8.270 nan 0.000 0.610 105 N N 0.913 119.766 118.700 0.255 0.000 3.115 105 N HA 0.011 4.751 4.740 -0.001 0.000 0.305 105 N C -0.692 174.998 175.510 0.301 0.000 1.305 105 N CA 0.248 53.488 53.050 0.317 0.000 1.154 105 N CB 0.074 38.744 38.487 0.304 0.000 1.454 105 N HN 0.053 nan 8.380 nan 0.000 0.551 106 S N -0.814 115.031 115.700 0.242 0.000 2.558 106 S HA 0.300 4.770 4.470 -0.001 0.000 0.288 106 S C 1.468 175.983 174.600 -0.141 0.000 1.318 106 S CA 0.524 58.734 58.200 0.018 0.000 1.056 106 S CB 0.643 63.863 63.200 0.033 0.000 0.853 106 S HN 0.649 nan 8.310 nan 0.000 0.505 107 G N 1.666 110.234 108.800 -0.387 0.000 2.245 107 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.264 107 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.264 107 G C 0.253 175.149 174.900 -0.006 0.000 0.985 107 G CA 0.530 45.394 45.100 -0.393 0.000 0.625 107 G HN 0.711 nan 8.290 nan 0.000 0.536 108 Y N -0.252 120.254 120.300 0.343 0.000 2.626 108 Y HA 0.473 5.022 4.550 -0.001 0.000 0.248 108 Y C 1.850 177.705 175.900 -0.074 0.000 1.147 108 Y CA -0.121 58.135 58.100 0.260 0.000 1.219 108 Y CB 1.020 39.611 38.460 0.217 0.000 1.279 108 Y HN 1.051 nan 8.280 nan 0.000 0.541 109 G N -0.860 107.979 108.800 0.065 0.000 2.175 109 G HA2 0.090 4.049 3.960 -0.001 0.000 0.182 109 G HA3 0.090 4.049 3.960 -0.001 0.000 0.182 109 G C 0.914 175.863 174.900 0.081 0.000 1.003 109 G CA 0.072 45.088 45.100 -0.139 0.000 0.666 109 G HN 0.902 nan 8.290 nan 0.000 0.506 110 G N 0.203 109.111 108.800 0.180 0.000 2.582 110 G HA2 0.144 4.103 3.960 -0.001 0.000 0.288 110 G HA3 0.144 4.103 3.960 -0.001 0.000 0.288 110 G C 1.253 176.265 174.900 0.186 0.000 1.247 110 G CA 2.136 47.346 45.100 0.183 0.000 0.972 110 G HN 1.944 nan 8.290 nan 0.000 0.557 111 A N 0.191 123.123 122.820 0.186 0.000 2.307 111 A HA 0.726 5.045 4.320 -0.001 0.000 0.218 111 A C 1.477 179.176 177.584 0.193 0.000 1.228 111 A CA 1.610 53.805 52.037 0.264 0.000 0.857 111 A CB -0.679 18.508 19.000 0.312 0.000 0.897 111 A HN 2.366 nan 8.150 nan 0.000 0.495 112 A N 1.585 124.425 122.820 0.033 0.000 2.462 112 A HA 0.533 4.853 4.320 -0.001 0.000 0.243 112 A C -2.378 174.778 177.584 -0.713 0.000 1.076 112 A CA -1.106 50.848 52.037 -0.139 0.000 0.773 112 A CB -0.105 18.882 19.000 -0.022 0.000 1.010 112 A HN 0.280 nan 8.150 nan 0.000 0.493 113 P HA 0.252 nan 4.420 nan 0.000 0.277 113 P C 0.315 176.889 177.300 -1.211 0.000 1.240 113 P CA -0.421 61.727 63.100 -1.587 0.000 0.798 113 P CB 1.006 32.398 31.700 -0.514 0.000 0.979 114 R N 2.174 121.787 120.500 -1.478 0.000 2.090 114 R HA 0.026 4.366 4.340 -0.001 0.000 0.228 114 R C 0.117 176.384 176.300 -0.056 0.000 1.110 114 R CA 1.361 57.075 56.100 -0.643 0.000 0.973 114 R CB -0.811 29.240 30.300 -0.416 0.000 0.869 114 R HN 0.311 nan 8.270 nan 0.000 0.440 115 V N 1.645 121.516 119.914 -0.071 0.000 2.364 115 V HA 0.268 4.387 4.120 -0.001 0.000 0.272 115 V C -0.180 176.003 176.094 0.148 0.000 1.036 115 V CA -0.565 61.808 62.300 0.122 0.000 0.880 115 V CB 1.416 33.198 31.823 -0.067 0.000 0.991 115 V HN 0.245 nan 8.190 nan 0.000 0.460 116 S N 3.464 119.305 115.700 0.236 0.000 2.568 116 S HA 0.426 4.896 4.470 -0.001 0.000 0.282 116 S C 1.302 175.997 174.600 0.159 0.000 1.338 116 S CA 0.691 58.981 58.200 0.150 0.000 1.045 116 S CB 0.890 64.128 63.200 0.063 0.000 0.873 116 S HN 1.501 nan 8.310 nan 0.000 0.516 117 G N 2.003 110.882 108.800 0.132 0.000 2.176 117 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.253 117 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.253 117 G C 0.214 175.276 174.900 0.269 0.000 0.979 117 G CA 0.161 45.347 45.100 0.144 0.000 0.641 117 G HN 0.722 nan 8.290 nan 0.000 0.530 118 S N -0.654 115.207 115.700 0.268 0.000 2.593 118 S HA 0.513 4.983 4.470 -0.001 0.000 0.269 118 S C 0.607 175.434 174.600 0.378 0.000 1.334 118 S CA -0.310 58.111 58.200 0.368 0.000 1.015 118 S CB 2.199 65.571 63.200 0.287 0.000 0.912 118 S HN 0.633 nan 8.310 nan 0.000 0.541 119 V N 2.745 122.852 119.914 0.321 0.000 2.455 119 V HA 0.138 4.258 4.120 -0.001 0.000 0.273 119 V C -0.004 176.199 176.094 0.182 0.000 1.045 119 V CA -0.364 62.026 62.300 0.151 0.000 0.976 119 V CB 1.122 32.889 31.823 -0.094 0.000 0.993 119 V HN 0.648 nan 8.190 nan 0.000 0.475 120 V N 7.235 127.261 119.914 0.186 0.000 2.455 120 V HA 0.157 4.277 4.120 -0.001 0.000 0.273 120 V C 0.118 176.269 176.094 0.096 0.000 1.045 120 V CA -0.219 62.206 62.300 0.208 0.000 0.976 120 V CB 1.292 33.249 31.823 0.222 0.000 0.993 120 V HN 0.619 nan 8.190 nan 0.000 0.475 121 L N 5.490 126.752 121.223 0.064 0.000 2.288 121 L HA 0.409 4.748 4.340 -0.001 0.000 0.283 121 L C 0.234 177.066 176.870 -0.063 0.000 1.072 121 L CA -0.003 54.828 54.840 -0.016 0.000 0.862 121 L CB 0.750 42.791 42.059 -0.031 0.000 1.245 121 L HN 0.603 nan 8.230 nan 0.000 0.432 122 D N 4.759 125.096 120.400 -0.104 0.000 2.455 122 D HA 0.022 4.662 4.640 -0.001 0.000 0.234 122 D C 1.110 177.333 176.300 -0.128 0.000 1.224 122 D CA -0.046 53.843 54.000 -0.185 0.000 0.999 122 D CB 0.611 41.236 40.800 -0.292 0.000 1.072 122 D HN 0.448 nan 8.370 nan 0.000 0.514 123 M N 1.771 121.310 119.600 -0.103 0.000 2.229 123 M HA 0.022 4.502 4.480 -0.001 0.000 0.264 123 M C 2.048 178.308 176.300 -0.067 0.000 1.063 123 M CA 0.648 55.900 55.300 -0.079 0.000 1.114 123 M CB -0.966 31.588 32.600 -0.076 0.000 1.387 123 M HN 0.402 nan 8.290 nan 0.000 0.420 124 G N 0.717 109.476 108.800 -0.069 0.000 2.418 124 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.217 124 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.217 124 G C 1.715 176.596 174.900 -0.032 0.000 1.158 124 G CA 1.108 46.181 45.100 -0.045 0.000 0.771 124 G HN 0.492 nan 8.290 nan 0.000 0.545 125 K N 0.348 120.723 120.400 -0.042 0.000 2.032 125 K HA -0.108 4.212 4.320 -0.001 0.000 0.209 125 K C 1.940 178.531 176.600 -0.014 0.000 1.048 125 K CA 1.665 57.942 56.287 -0.016 0.000 0.927 125 K CB -0.116 32.374 32.500 -0.016 0.000 0.712 125 K HN 0.253 nan 8.250 nan 0.000 0.441 126 N N -0.408 118.277 118.700 -0.025 0.000 2.348 126 N HA 0.064 4.803 4.740 -0.001 0.000 0.183 126 N C 0.046 175.543 175.510 -0.021 0.000 1.094 126 N CA 0.360 53.398 53.050 -0.020 0.000 0.885 126 N CB 0.499 38.972 38.487 -0.024 0.000 1.065 126 N HN 0.195 nan 8.380 nan 0.000 0.472 127 M N 1.064 120.646 119.600 -0.028 0.000 3.117 127 M HA 0.217 4.697 4.480 -0.001 0.000 0.292 127 M C 0.561 176.845 176.300 -0.028 0.000 1.357 127 M CA -0.002 55.282 55.300 -0.027 0.000 1.463 127 M CB 0.104 32.684 32.600 -0.033 0.000 1.105 127 M HN 0.025 nan 8.290 nan 0.000 0.553 128 N N 0.369 119.057 118.700 -0.021 0.000 2.294 128 N HA 0.128 4.868 4.740 -0.001 0.000 0.186 128 N C -0.008 175.490 175.510 -0.021 0.000 1.107 128 N CA -0.130 52.910 53.050 -0.017 0.000 0.884 128 N CB 0.805 39.290 38.487 -0.003 0.000 1.030 128 N HN 0.475 nan 8.380 nan 0.000 0.482 129 R N 1.143 121.629 120.500 -0.023 0.000 2.438 129 R HA 0.201 4.541 4.340 -0.001 0.000 0.287 129 R C -0.384 175.868 176.300 -0.081 0.000 1.077 129 R CA -0.235 55.847 56.100 -0.030 0.000 1.034 129 R CB 1.573 31.865 30.300 -0.013 0.000 0.993 129 R HN -0.132 nan 8.270 nan 0.000 0.459 130 V N 5.995 125.831 119.914 -0.130 0.000 2.370 130 V HA -0.001 4.119 4.120 -0.001 0.000 0.257 130 V C 1.388 177.342 176.094 -0.235 0.000 1.064 130 V CA 0.265 62.390 62.300 -0.292 0.000 0.975 130 V CB 0.410 31.835 31.823 -0.663 0.000 1.067 130 V HN 0.731 nan 8.190 nan 0.000 0.485 131 L N 3.133 124.260 121.223 -0.161 0.000 2.240 131 L HA 0.232 4.572 4.340 -0.001 0.000 0.211 131 L C 1.035 177.856 176.870 -0.082 0.000 1.106 131 L CA 1.047 55.842 54.840 -0.077 0.000 0.793 131 L CB 0.121 42.169 42.059 -0.017 0.000 0.927 131 L HN 0.666 nan 8.230 nan 0.000 0.446 132 E N -0.701 119.408 120.200 -0.153 0.000 2.422 132 E HA 0.276 4.626 4.350 -0.001 0.000 0.289 132 E C -1.792 174.691 176.600 -0.196 0.000 0.985 132 E CA -0.343 55.983 56.400 -0.122 0.000 0.812 132 E CB 2.361 32.031 29.700 -0.049 0.000 1.226 132 E HN -0.281 nan 8.360 nan 0.000 0.419 133 V N 4.628 124.442 119.914 -0.166 0.000 2.325 133 V HA 0.309 4.429 4.120 -0.001 0.000 0.280 133 V C -0.191 175.765 176.094 -0.229 0.000 1.016 133 V CA -0.813 61.383 62.300 -0.173 0.000 0.818 133 V CB 1.304 33.111 31.823 -0.026 0.000 1.019 133 V HN 0.532 nan 8.190 nan 0.000 0.434 134 N N 4.005 122.412 118.700 -0.488 0.000 2.439 134 N HA 0.219 4.958 4.740 -0.001 0.000 0.249 134 N C 0.819 176.117 175.510 -0.353 0.000 1.003 134 N CA -0.151 52.581 53.050 -0.531 0.000 0.942 134 N CB 2.111 39.943 38.487 -1.091 0.000 1.115 134 N HN 0.359 nan 8.380 nan 0.000 0.505 135 V N 4.404 124.210 119.914 -0.180 0.000 2.270 135 V HA -0.264 3.855 4.120 -0.001 0.000 0.245 135 V C 2.247 178.283 176.094 -0.096 0.000 1.043 135 V CA 2.121 64.352 62.300 -0.115 0.000 1.014 135 V CB -0.519 31.262 31.823 -0.070 0.000 0.645 135 V HN 0.775 nan 8.190 nan 0.000 0.447 136 E N 1.095 121.250 120.200 -0.075 0.000 2.153 136 E HA -0.132 4.218 4.350 -0.001 0.000 0.194 136 E C 2.047 178.633 176.600 -0.023 0.000 0.988 136 E CA 1.537 57.911 56.400 -0.043 0.000 0.811 136 E CB -0.582 29.105 29.700 -0.022 0.000 0.746 136 E HN 0.531 nan 8.360 nan 0.000 0.466 137 G N 0.583 109.378 108.800 -0.009 0.000 2.939 137 G HA2 0.261 4.221 3.960 -0.001 0.000 0.210 137 G HA3 0.261 4.221 3.960 -0.001 0.000 0.210 137 G C 0.690 175.651 174.900 0.103 0.000 1.160 137 G CA -0.083 45.086 45.100 0.116 0.000 0.770 137 G HN 0.571 nan 8.290 nan 0.000 0.543 138 A N -0.885 121.918 122.820 -0.028 0.000 2.312 138 A HA -0.003 4.316 4.320 -0.001 0.000 0.286 138 A C 0.072 177.732 177.584 0.127 0.000 1.425 138 A CA 1.355 53.382 52.037 -0.017 0.000 0.748 138 A CB -2.427 16.557 19.000 -0.027 0.000 1.126 138 A HN 1.793 nan 8.150 nan 0.000 0.368 139 Y N -2.368 117.969 120.300 0.061 0.000 2.655 139 Y HA 0.749 5.299 4.550 -0.001 0.000 0.336 139 Y C -0.043 175.848 175.900 -0.016 0.000 1.154 139 Y CA -1.620 56.541 58.100 0.102 0.000 1.055 139 Y CB 0.271 38.851 38.460 0.199 0.000 1.295 139 Y HN 1.245 nan 8.280 nan 0.000 0.465 140 C N 0.366 119.764 119.300 0.163 0.000 2.889 140 C HA 0.961 5.420 4.460 -0.001 0.000 0.307 140 C C -1.237 173.712 174.990 -0.067 0.000 1.251 140 C CA -1.065 57.933 59.018 -0.034 0.000 1.593 140 C CB 1.210 28.892 27.740 -0.097 0.000 2.104 140 C HN 0.867 nan 8.230 nan 0.000 0.476 141 V N 1.901 121.700 119.914 -0.192 0.000 2.531 141 V HA 0.793 4.913 4.120 -0.001 0.000 0.301 141 V C -0.325 175.637 176.094 -0.221 0.000 1.034 141 V CA -0.264 61.846 62.300 -0.317 0.000 0.865 141 V CB 1.352 32.898 31.823 -0.462 0.000 0.995 141 V HN 0.950 nan 8.190 nan 0.000 0.424 142 V N 3.718 123.519 119.914 -0.187 0.000 3.078 142 V HA 0.536 4.656 4.120 -0.001 0.000 0.311 142 V C -0.347 175.690 176.094 -0.095 0.000 1.138 142 V CA -0.583 61.629 62.300 -0.146 0.000 1.007 142 V CB 2.750 34.473 31.823 -0.167 0.000 1.045 142 V HN 0.960 nan 8.190 nan 0.000 0.432 143 E N 3.478 123.633 120.200 -0.076 0.000 2.254 143 E HA 0.328 4.678 4.350 -0.001 0.000 0.261 143 E C -1.885 174.677 176.600 -0.064 0.000 1.051 143 E CA -1.619 54.751 56.400 -0.049 0.000 0.902 143 E CB 1.302 30.982 29.700 -0.034 0.000 1.168 143 E HN 0.400 nan 8.360 nan 0.000 0.423 144 P HA -0.145 nan 4.420 nan 0.000 0.216 144 P C 1.050 178.316 177.300 -0.058 0.000 1.150 144 P CA 1.259 64.323 63.100 -0.060 0.000 0.843 144 P CB 0.063 31.729 31.700 -0.057 0.000 0.787 145 G N -0.946 107.826 108.800 -0.047 0.000 2.848 145 G HA2 0.005 3.964 3.960 -0.001 0.000 0.208 145 G HA3 0.005 3.964 3.960 -0.001 0.000 0.208 145 G C 0.251 175.131 174.900 -0.034 0.000 1.152 145 G CA -0.043 45.037 45.100 -0.032 0.000 0.789 145 G HN 0.168 nan 8.290 nan 0.000 0.531 146 V N 2.825 122.702 119.914 -0.063 0.000 2.397 146 V HA 0.219 4.338 4.120 -0.001 0.000 0.262 146 V C 1.097 177.129 176.094 -0.104 0.000 1.047 146 V CA -0.190 62.066 62.300 -0.072 0.000 1.003 146 V CB -0.104 31.650 31.823 -0.114 0.000 1.037 146 V HN 0.396 nan 8.190 nan 0.000 0.480 147 T N 1.907 116.443 114.554 -0.031 0.000 2.788 147 T HA 0.254 4.604 4.350 -0.001 0.000 0.280 147 T C 0.955 175.621 174.700 -0.056 0.000 0.984 147 T CA -0.149 61.939 62.100 -0.020 0.000 0.972 147 T CB 0.549 69.505 68.868 0.146 0.000 1.039 147 T HN 0.381 nan 8.240 nan 0.000 0.530 148 Y N -0.729 119.639 120.300 0.112 0.000 2.224 148 Y HA -0.040 4.509 4.550 -0.001 0.000 0.289 148 Y C 2.837 178.794 175.900 0.095 0.000 1.146 148 Y CA 1.850 59.992 58.100 0.071 0.000 1.182 148 Y CB -0.873 37.606 38.460 0.032 0.000 0.983 148 Y HN 0.879 nan 8.280 nan 0.000 0.524 149 H N -0.210 119.032 119.070 0.286 0.000 2.353 149 H HA -0.164 4.392 4.556 -0.001 0.000 0.300 149 H C 1.750 177.214 175.328 0.227 0.000 1.090 149 H CA 1.798 58.000 56.048 0.256 0.000 1.327 149 H CB 0.048 29.994 29.762 0.307 0.000 1.383 149 H HN 0.208 nan 8.280 nan 0.000 0.508 150 D N 0.025 120.620 120.400 0.324 0.000 2.117 150 D HA -0.143 4.497 4.640 -0.001 0.000 0.197 150 D C 2.157 178.571 176.300 0.191 0.000 0.987 150 D CA 0.719 54.850 54.000 0.218 0.000 0.829 150 D CB -0.298 40.575 40.800 0.122 0.000 0.961 150 D HN 0.280 nan 8.370 nan 0.000 0.460 151 L N 0.459 121.765 121.223 0.139 0.000 2.141 151 L HA -0.112 4.228 4.340 -0.001 0.000 0.209 151 L C 2.175 179.146 176.870 0.167 0.000 1.094 151 L CA 1.565 56.467 54.840 0.102 0.000 0.763 151 L CB -0.533 41.535 42.059 0.015 0.000 0.908 151 L HN 0.154 nan 8.230 nan 0.000 0.437 152 H N -0.642 118.477 119.070 0.081 0.000 2.321 152 H HA -0.143 4.413 4.556 -0.001 0.000 0.300 152 H C 1.656 177.028 175.328 0.074 0.000 1.087 152 H CA 1.787 57.854 56.048 0.032 0.000 1.319 152 H CB 0.276 29.987 29.762 -0.085 0.000 1.379 152 H HN 0.381 nan 8.280 nan 0.000 0.501 153 N N 0.306 119.071 118.700 0.109 0.000 2.166 153 N HA -0.166 4.573 4.740 -0.001 0.000 0.186 153 N C 1.859 177.382 175.510 0.021 0.000 1.019 153 N CA 0.943 54.027 53.050 0.058 0.000 0.856 153 N CB -0.817 37.780 38.487 0.182 0.000 0.993 153 N HN 0.448 nan 8.380 nan 0.000 0.426 154 Y N 1.618 121.906 120.300 -0.021 0.000 2.145 154 Y HA -0.074 4.476 4.550 -0.001 0.000 0.286 154 Y C 2.168 178.031 175.900 -0.063 0.000 1.145 154 Y CA 1.360 59.442 58.100 -0.030 0.000 1.148 154 Y CB -0.321 38.129 38.460 -0.017 0.000 0.981 154 Y HN -0.024 nan 8.280 nan 0.000 0.507 155 L N -0.231 121.062 121.223 0.117 0.000 2.046 155 L HA -0.192 4.147 4.340 -0.001 0.000 0.208 155 L C 2.459 179.262 176.870 -0.113 0.000 1.077 155 L CA 1.419 56.271 54.840 0.021 0.000 0.747 155 L CB -0.567 41.498 42.059 0.010 0.000 0.896 155 L HN 0.278 nan 8.230 nan 0.000 0.432 156 E N 0.371 120.452 120.200 -0.199 0.000 2.047 156 E HA -0.204 4.145 4.350 -0.001 0.000 0.191 156 E C 2.313 178.827 176.600 -0.143 0.000 0.987 156 E CA 1.355 57.639 56.400 -0.193 0.000 0.799 156 E CB -0.179 29.370 29.700 -0.253 0.000 0.752 156 E HN 0.455 nan 8.360 nan 0.000 0.449 157 A N 1.765 124.489 122.820 -0.159 0.000 1.917 157 A HA -0.216 4.103 4.320 -0.001 0.000 0.219 157 A C 1.606 179.079 177.584 -0.185 0.000 1.182 157 A CA 1.918 53.856 52.037 -0.164 0.000 0.633 157 A CB -0.637 18.250 19.000 -0.188 0.000 0.819 157 A HN 0.222 nan 8.150 nan 0.000 0.448 158 N N -0.254 118.305 118.700 -0.236 0.000 2.268 158 N HA 0.084 4.824 4.740 -0.001 0.000 0.204 158 N C -0.127 175.318 175.510 -0.108 0.000 1.124 158 N CA 0.201 53.138 53.050 -0.189 0.000 0.838 158 N CB 0.263 38.592 38.487 -0.263 0.000 0.994 158 N HN 0.363 nan 8.380 nan 0.000 0.489 159 N N -0.126 118.519 118.700 -0.091 0.000 2.708 159 N HA -0.188 4.551 4.740 -0.001 0.000 0.251 159 N C 0.290 175.781 175.510 -0.031 0.000 1.123 159 N CA 0.463 53.481 53.050 -0.055 0.000 0.739 159 N CB -1.340 37.122 38.487 -0.041 0.000 1.113 159 N HN 0.391 nan 8.380 nan 0.000 0.561 160 L N -0.029 121.177 121.223 -0.028 0.000 2.376 160 L HA 0.002 4.342 4.340 -0.001 0.000 0.219 160 L C 2.465 179.361 176.870 0.043 0.000 1.133 160 L CA 0.577 55.421 54.840 0.008 0.000 0.816 160 L CB -0.202 41.873 42.059 0.028 0.000 0.933 160 L HN 0.227 nan 8.230 nan 0.000 0.449 161 R N 0.614 121.136 120.500 0.035 0.000 2.133 161 R HA -0.222 4.117 4.340 -0.001 0.000 0.247 161 R C 1.226 177.638 176.300 0.186 0.000 1.151 161 R CA 1.997 58.149 56.100 0.087 0.000 0.971 161 R CB -0.155 30.150 30.300 0.008 0.000 0.866 161 R HN 0.414 nan 8.270 nan 0.000 0.447 162 D N -0.598 119.868 120.400 0.110 0.000 2.355 162 D HA -0.044 4.595 4.640 -0.001 0.000 0.218 162 D C 1.127 177.454 176.300 0.046 0.000 1.004 162 D CA 0.921 54.983 54.000 0.102 0.000 0.880 162 D CB 0.300 41.131 40.800 0.052 0.000 0.911 162 D HN 0.334 nan 8.370 nan 0.000 0.528 163 K N -0.664 119.757 120.400 0.036 0.000 2.367 163 K HA 0.275 4.594 4.320 -0.001 0.000 0.198 163 K C 0.453 177.030 176.600 -0.038 0.000 1.132 163 K CA 0.302 56.575 56.287 -0.023 0.000 0.941 163 K CB 1.305 33.790 32.500 -0.025 0.000 1.052 163 K HN -0.071 nan 8.250 nan 0.000 0.507 164 L N 0.790 122.039 121.223 0.042 0.000 2.408 164 L HA 0.434 4.774 4.340 -0.001 0.000 0.268 164 L C -1.339 175.686 176.870 0.258 0.000 0.986 164 L CA -0.981 53.887 54.840 0.047 0.000 0.820 164 L CB 1.569 43.639 42.059 0.018 0.000 1.303 164 L HN -0.034 nan 8.230 nan 0.000 0.411 165 W N 2.646 123.878 121.300 -0.113 0.000 2.578 165 W HA 0.671 5.331 4.660 -0.001 0.000 0.353 165 W C -0.157 176.308 176.519 -0.090 0.000 1.088 165 W CA -0.817 56.470 57.345 -0.097 0.000 1.235 165 W CB 1.026 30.410 29.460 -0.126 0.000 1.362 165 W HN 0.201 nan 8.180 nan 0.000 0.592 166 L N 1.525 122.838 121.223 0.149 0.000 2.416 166 L HA 0.438 4.777 4.340 -0.001 0.000 0.263 166 L C -0.135 176.795 176.870 0.099 0.000 1.065 166 L CA -0.710 54.195 54.840 0.108 0.000 0.798 166 L CB 1.087 43.216 42.059 0.116 0.000 1.267 166 L HN 0.243 nan 8.230 nan 0.000 0.467 167 D N 0.984 121.459 120.400 0.125 0.000 2.542 167 D HA 0.416 5.056 4.640 -0.001 0.000 0.252 167 D C -1.305 175.055 176.300 0.101 0.000 1.222 167 D CA -0.171 53.925 54.000 0.158 0.000 0.895 167 D CB 1.944 42.918 40.800 0.291 0.000 1.207 167 D HN 0.258 nan 8.370 nan 0.000 0.558 168 V N 1.715 121.604 119.914 -0.042 0.000 2.715 168 V HA 0.743 4.862 4.120 -0.001 0.000 0.310 168 V C -2.614 173.366 176.094 -0.191 0.000 1.054 168 V CA -1.979 60.098 62.300 -0.371 0.000 0.928 168 V CB 1.553 33.132 31.823 -0.407 0.000 1.007 168 V HN 0.314 nan 8.190 nan 0.000 0.437 169 P HA 0.309 nan 4.420 nan 0.000 0.302 169 P C 0.071 177.425 177.300 0.090 0.000 1.301 169 P CA -0.078 63.015 63.100 -0.011 0.000 0.745 169 P CB 0.654 32.363 31.700 0.014 0.000 1.331 170 D N -1.306 119.202 120.400 0.179 0.000 2.178 170 D HA -0.019 4.620 4.640 -0.001 0.000 0.201 170 D C 0.741 177.012 176.300 -0.048 0.000 0.980 170 D CA 1.309 55.341 54.000 0.053 0.000 0.842 170 D CB -0.181 40.666 40.800 0.077 0.000 0.948 170 D HN 0.235 nan 8.370 nan 0.000 0.472 171 L N -1.105 120.104 121.223 -0.022 0.000 2.322 171 L HA 0.541 4.880 4.340 -0.001 0.000 0.269 171 L C 1.532 178.382 176.870 -0.033 0.000 1.012 171 L CA -0.732 54.069 54.840 -0.066 0.000 0.815 171 L CB 1.955 44.022 42.059 0.013 0.000 1.295 171 L HN -0.206 nan 8.230 nan 0.000 0.438 172 G N -0.399 108.322 108.800 -0.132 0.000 3.126 172 G HA2 0.117 4.077 3.960 -0.001 0.000 0.224 172 G HA3 0.117 4.077 3.960 -0.001 0.000 0.224 172 G C 1.009 176.237 174.900 0.546 0.000 1.142 172 G CA 0.467 45.610 45.100 0.071 0.000 0.759 172 G HN 0.845 nan 8.290 nan 0.000 0.550 173 G N 0.387 109.660 108.800 0.788 0.000 2.880 173 G HA2 0.357 4.317 3.960 -0.001 0.000 0.209 173 G HA3 0.357 4.317 3.960 -0.001 0.000 0.209 173 G C 0.931 176.054 174.900 0.373 0.000 1.157 173 G CA 0.445 45.899 45.100 0.591 0.000 0.779 173 G HN 0.540 nan 8.290 nan 0.000 0.539 174 G N 0.120 109.214 108.800 0.490 0.000 2.636 174 G HA2 0.359 4.318 3.960 -0.001 0.000 0.246 174 G HA3 0.359 4.318 3.960 -0.001 0.000 0.246 174 G C 0.185 175.208 174.900 0.205 0.000 1.216 174 G CA 0.323 45.656 45.100 0.388 0.000 0.854 174 G HN 0.319 nan 8.290 nan 0.000 0.572 175 S N -0.235 115.507 115.700 0.069 0.000 2.513 175 S HA 0.158 4.628 4.470 -0.001 0.000 0.276 175 S C 1.463 175.889 174.600 -0.290 0.000 1.254 175 S CA -0.709 57.425 58.200 -0.111 0.000 1.053 175 S CB 1.370 64.547 63.200 -0.040 0.000 0.958 175 S HN 0.387 nan 8.310 nan 0.000 0.491 176 V N 5.413 124.983 119.914 -0.572 0.000 2.407 176 V HA -0.116 4.003 4.120 -0.001 0.000 0.248 176 V C 2.292 178.242 176.094 -0.241 0.000 1.055 176 V CA 1.970 63.879 62.300 -0.652 0.000 1.049 176 V CB -0.962 30.546 31.823 -0.525 0.000 0.662 176 V HN 0.894 nan 8.190 nan 0.000 0.455 177 L N 1.617 122.741 121.223 -0.165 0.000 2.049 177 L HA 0.183 4.523 4.340 -0.001 0.000 0.203 177 L C 2.324 179.185 176.870 -0.015 0.000 1.074 177 L CA 2.537 57.334 54.840 -0.072 0.000 0.749 177 L CB -1.933 40.083 42.059 -0.073 0.000 0.907 177 L HN 0.198 nan 8.230 nan 0.000 0.439 178 G N 0.599 109.387 108.800 -0.019 0.000 2.553 178 G HA2 -0.424 3.536 3.960 -0.001 0.000 0.218 178 G HA3 -0.424 3.536 3.960 -0.001 0.000 0.218 178 G C 1.603 176.544 174.900 0.069 0.000 1.195 178 G CA 0.972 46.080 45.100 0.014 0.000 0.779 178 G HN 0.609 nan 8.290 nan 0.000 0.577 179 N N 1.425 120.202 118.700 0.127 0.000 2.094 179 N HA -0.156 4.584 4.740 -0.001 0.000 0.191 179 N C 2.487 178.139 175.510 0.236 0.000 1.023 179 N CA 1.749 54.935 53.050 0.227 0.000 0.857 179 N CB -0.286 38.432 38.487 0.385 0.000 1.013 179 N HN 0.279 nan 8.380 nan 0.000 0.426 180 A N 0.923 123.865 122.820 0.204 0.000 1.898 180 A HA -0.076 4.243 4.320 -0.001 0.000 0.216 180 A C 2.447 180.229 177.584 0.329 0.000 1.181 180 A CA 1.809 54.014 52.037 0.280 0.000 0.620 180 A CB -0.924 18.192 19.000 0.192 0.000 0.819 180 A HN 0.311 nan 8.150 nan 0.000 0.442 181 V N -2.611 117.420 119.914 0.195 0.000 2.759 181 V HA -0.090 4.029 4.120 -0.001 0.000 0.256 181 V C 1.479 177.521 176.094 -0.086 0.000 1.080 181 V CA 2.055 64.393 62.300 0.063 0.000 1.101 181 V CB -0.683 31.147 31.823 0.010 0.000 0.698 181 V HN 0.451 nan 8.190 nan 0.000 0.477 182 E N 0.548 120.736 120.200 -0.020 0.000 2.502 182 E HA 0.109 4.458 4.350 -0.001 0.000 0.194 182 E C 0.498 177.078 176.600 -0.034 0.000 1.062 182 E CA -0.019 56.331 56.400 -0.083 0.000 0.867 182 E CB -0.086 29.580 29.700 -0.056 0.000 0.888 182 E HN 0.681 nan 8.360 nan 0.000 0.510 183 R N -0.473 120.065 120.500 0.063 0.000 3.525 183 R HA -0.150 4.189 4.340 -0.001 0.000 0.276 183 R C 0.698 177.174 176.300 0.294 0.000 1.116 183 R CA 0.393 56.607 56.100 0.190 0.000 0.745 183 R CB -2.354 28.002 30.300 0.095 0.000 1.185 183 R HN 0.167 nan 8.270 nan 0.000 0.454 184 G N -0.044 108.917 108.800 0.268 0.000 2.716 184 G HA2 0.395 4.355 3.960 -0.001 0.000 0.251 184 G HA3 0.395 4.355 3.960 -0.001 0.000 0.251 184 G C -0.014 174.872 174.900 -0.022 0.000 1.224 184 G CA -0.276 44.966 45.100 0.237 0.000 0.891 184 G HN 0.056 nan 8.290 nan 0.000 0.561 185 V N -0.313 119.442 119.914 -0.265 0.000 2.789 185 V HA 0.820 4.940 4.120 -0.001 0.000 0.311 185 V C 0.671 176.223 176.094 -0.903 0.000 1.073 185 V CA 0.022 61.923 62.300 -0.665 0.000 0.921 185 V CB 1.708 33.191 31.823 -0.567 0.000 1.009 185 V HN 1.191 nan 8.190 nan 0.000 0.426 186 G N 1.121 109.241 108.800 -1.134 0.000 3.042 186 G HA2 0.598 4.558 3.960 -0.001 0.000 0.278 186 G HA3 0.598 4.558 3.960 -0.001 0.000 0.278 186 G C -1.313 172.922 174.900 -1.108 0.000 1.371 186 G CA -0.305 44.199 45.100 -0.994 0.000 1.009 186 G HN 0.537 nan 8.290 nan 0.000 0.523 187 Y N 0.031 120.318 120.300 -0.022 0.000 2.706 187 Y HA 0.314 4.863 4.550 -0.001 0.000 0.255 187 Y C 1.497 177.453 175.900 0.093 0.000 1.163 187 Y CA -0.343 57.764 58.100 0.012 0.000 1.174 187 Y CB 0.313 38.766 38.460 -0.013 0.000 1.200 187 Y HN 0.608 nan 8.280 nan 0.000 0.544 188 T N -4.213 110.426 114.554 0.141 0.000 2.889 188 T HA 0.339 4.689 4.350 -0.001 0.000 0.278 188 T C -2.004 172.725 174.700 0.048 0.000 0.995 188 T CA -2.382 59.796 62.100 0.130 0.000 0.966 188 T CB 1.684 70.617 68.868 0.109 0.000 1.237 188 T HN -0.298 nan 8.240 nan 0.000 0.591 189 P HA -0.011 nan 4.420 nan 0.000 0.223 189 P C 0.009 177.419 177.300 0.183 0.000 1.144 189 P CA 0.881 63.996 63.100 0.025 0.000 0.783 189 P CB -0.174 31.487 31.700 -0.064 0.000 0.771 190 Y N -1.260 119.034 120.300 -0.009 0.000 2.683 190 Y HA 0.363 4.913 4.550 -0.001 0.000 0.297 190 Y C 2.091 178.049 175.900 0.096 0.000 1.147 190 Y CA -0.626 57.518 58.100 0.072 0.000 1.274 190 Y CB -0.882 37.645 38.460 0.112 0.000 1.143 190 Y HN -0.076 nan 8.280 nan 0.000 0.527 191 G N -0.767 108.084 108.800 0.085 0.000 2.471 191 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.219 191 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.219 191 G C 0.633 175.379 174.900 -0.257 0.000 1.125 191 G CA 0.350 45.372 45.100 -0.130 0.000 0.775 191 G HN 0.217 nan 8.290 nan 0.000 0.548 192 D N 0.003 120.354 120.400 -0.083 0.000 2.508 192 D HA 0.122 4.762 4.640 -0.001 0.000 0.224 192 D C 1.198 177.570 176.300 0.119 0.000 1.171 192 D CA -0.281 53.697 54.000 -0.037 0.000 1.006 192 D CB -0.396 40.411 40.800 0.012 0.000 1.073 192 D HN 0.477 nan 8.370 nan 0.000 0.513 193 H N 1.614 120.731 119.070 0.080 0.000 2.319 193 H HA -0.179 4.377 4.556 -0.001 0.000 0.297 193 H C 1.809 177.217 175.328 0.134 0.000 1.097 193 H CA 1.046 57.164 56.048 0.117 0.000 1.285 193 H CB 0.135 29.986 29.762 0.148 0.000 1.368 193 H HN 0.567 nan 8.280 nan 0.000 0.495 194 W N 1.303 122.700 121.300 0.161 0.000 2.338 194 W HA -0.205 4.454 4.660 -0.001 0.000 0.304 194 W C 1.361 177.975 176.519 0.158 0.000 1.212 194 W CA 1.003 58.404 57.345 0.095 0.000 1.264 194 W CB -0.001 29.490 29.460 0.051 0.000 1.142 194 W HN 0.216 nan 8.180 nan 0.000 0.512 195 M N 0.227 119.862 119.600 0.058 0.000 2.630 195 M HA -0.120 4.360 4.480 -0.001 0.000 0.254 195 M C 1.317 177.463 176.300 -0.256 0.000 1.092 195 M CA 0.937 56.182 55.300 -0.091 0.000 1.087 195 M CB -0.738 31.894 32.600 0.053 0.000 1.453 195 M HN -0.012 nan 8.290 nan 0.000 0.509 196 M N -0.881 118.596 119.600 -0.206 0.000 2.495 196 M HA 0.067 4.546 4.480 -0.001 0.000 0.237 196 M C 0.625 176.419 176.300 -0.843 0.000 1.131 196 M CA 0.215 55.346 55.300 -0.282 0.000 1.032 196 M CB -1.617 31.037 32.600 0.089 0.000 1.513 196 M HN 0.314 nan 8.290 nan 0.000 0.488 197 H N -1.430 117.099 119.070 -0.902 0.000 2.547 197 H HA 0.523 5.079 4.556 -0.001 0.000 0.362 197 H C -0.469 174.199 175.328 -1.100 0.000 1.181 197 H CA -0.466 55.038 56.048 -0.906 0.000 1.376 197 H CB 0.973 30.226 29.762 -0.847 0.000 1.488 197 H HN 0.010 nan 8.280 nan 0.000 0.583 198 S N 2.094 117.249 115.700 -0.907 0.000 2.550 198 S HA 0.470 4.939 4.470 -0.001 0.000 0.274 198 S C -0.664 173.764 174.600 -0.286 0.000 1.110 198 S CA -0.021 57.745 58.200 -0.724 0.000 1.013 198 S CB -0.153 62.678 63.200 -0.615 0.000 1.152 198 S HN 1.819 nan 8.310 nan 0.000 0.450 199 G N 5.098 113.811 108.800 -0.144 0.000 2.897 199 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.436 199 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.436 199 G C -0.636 174.304 174.900 0.067 0.000 1.079 199 G CA -0.067 44.996 45.100 -0.062 0.000 1.090 199 G HN 0.931 nan 8.290 nan 0.000 0.480 200 M N 0.771 120.520 119.600 0.248 0.000 2.598 200 M HA 0.724 5.203 4.480 -0.001 0.000 0.317 200 M C -0.037 176.464 176.300 0.334 0.000 1.179 200 M CA -0.957 54.487 55.300 0.241 0.000 0.936 200 M CB 2.492 35.150 32.600 0.096 0.000 1.713 200 M HN 0.405 nan 8.290 nan 0.000 0.460 201 E N 1.549 121.917 120.200 0.280 0.000 2.166 201 E HA 0.642 4.991 4.350 -0.001 0.000 0.275 201 E C -1.854 174.698 176.600 -0.079 0.000 0.941 201 E CA -0.699 55.758 56.400 0.095 0.000 0.784 201 E CB 1.795 31.564 29.700 0.115 0.000 1.115 201 E HN 0.584 nan 8.360 nan 0.000 0.399 202 V N 4.298 124.099 119.914 -0.189 0.000 2.709 202 V HA 0.273 4.392 4.120 -0.001 0.000 0.308 202 V C -0.540 175.434 176.094 -0.200 0.000 1.062 202 V CA -0.941 61.185 62.300 -0.291 0.000 0.901 202 V CB 2.083 33.518 31.823 -0.647 0.000 1.003 202 V HN 0.530 nan 8.190 nan 0.000 0.425 203 V N 5.872 125.693 119.914 -0.156 0.000 2.385 203 V HA 0.360 4.479 4.120 -0.001 0.000 0.269 203 V C 0.308 176.350 176.094 -0.087 0.000 1.043 203 V CA -0.218 62.020 62.300 -0.104 0.000 0.906 203 V CB 1.054 32.829 31.823 -0.079 0.000 0.995 203 V HN 0.607 nan 8.190 nan 0.000 0.467 204 L N 3.743 124.932 121.223 -0.055 0.000 2.479 204 L HA 0.338 4.678 4.340 -0.001 0.000 0.248 204 L C 1.902 178.769 176.870 -0.005 0.000 1.205 204 L CA 0.023 54.857 54.840 -0.011 0.000 0.817 204 L CB 0.237 42.307 42.059 0.018 0.000 1.162 204 L HN 0.690 nan 8.230 nan 0.000 0.486 205 A N 0.954 123.781 122.820 0.012 0.000 2.019 205 A HA -0.164 4.155 4.320 -0.001 0.000 0.219 205 A C 1.651 179.244 177.584 0.015 0.000 1.164 205 A CA 1.667 53.711 52.037 0.011 0.000 0.644 205 A CB -0.804 18.203 19.000 0.013 0.000 0.805 205 A HN 0.926 nan 8.150 nan 0.000 0.449 206 N N -1.265 117.442 118.700 0.012 0.000 2.461 206 N HA 0.218 4.957 4.740 -0.001 0.000 0.188 206 N C 1.075 176.587 175.510 0.003 0.000 1.134 206 N CA 1.252 54.308 53.050 0.010 0.000 0.878 206 N CB -0.358 38.134 38.487 0.007 0.000 0.972 206 N HN 0.740 nan 8.380 nan 0.000 0.456 207 G N -0.570 108.228 108.800 -0.003 0.000 2.199 207 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.254 207 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.254 207 G C -0.385 174.500 174.900 -0.024 0.000 0.982 207 G CA 0.190 45.282 45.100 -0.013 0.000 0.632 207 G HN 0.525 nan 8.290 nan 0.000 0.529 208 E N -0.013 120.174 120.200 -0.022 0.000 2.373 208 E HA 0.565 4.915 4.350 -0.001 0.000 0.263 208 E C 0.320 176.892 176.600 -0.046 0.000 1.073 208 E CA -0.547 55.835 56.400 -0.030 0.000 0.894 208 E CB 1.331 31.019 29.700 -0.019 0.000 1.008 208 E HN 0.270 nan 8.360 nan 0.000 0.420 209 L N 3.107 124.295 121.223 -0.057 0.000 2.305 209 L HA 0.387 4.726 4.340 -0.001 0.000 0.281 209 L C -0.475 176.345 176.870 -0.082 0.000 1.085 209 L CA -0.320 54.472 54.840 -0.081 0.000 0.813 209 L CB 0.611 42.614 42.059 -0.093 0.000 1.157 209 L HN 0.377 nan 8.230 nan 0.000 0.436 210 L N 4.181 125.343 121.223 -0.102 0.000 2.388 210 L HA 0.638 4.977 4.340 -0.001 0.000 0.264 210 L C -1.204 175.602 176.870 -0.105 0.000 0.998 210 L CA -0.677 54.113 54.840 -0.083 0.000 0.817 210 L CB 1.648 43.679 42.059 -0.047 0.000 1.338 210 L HN 0.512 nan 8.230 nan 0.000 0.414 211 R N 2.030 122.488 120.500 -0.071 0.000 2.621 211 R HA 0.503 4.843 4.340 -0.001 0.000 0.292 211 R C -0.641 175.708 176.300 0.082 0.000 0.969 211 R CA -0.599 55.480 56.100 -0.036 0.000 0.887 211 R CB 1.762 31.944 30.300 -0.197 0.000 1.180 211 R HN 0.814 nan 8.270 nan 0.000 0.450 212 T N -1.782 112.878 114.554 0.176 0.000 2.912 212 T HA 0.626 4.975 4.350 -0.001 0.000 0.280 212 T C 1.009 175.830 174.700 0.202 0.000 0.989 212 T CA 0.262 62.481 62.100 0.199 0.000 0.995 212 T CB 1.666 70.680 68.868 0.244 0.000 1.077 212 T HN 0.745 nan 8.240 nan 0.000 0.531 213 G N 1.310 110.234 108.800 0.206 0.000 2.591 213 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.298 213 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.298 213 G C 0.955 175.947 174.900 0.153 0.000 1.195 213 G CA 0.441 45.645 45.100 0.172 0.000 0.989 213 G HN 0.755 nan 8.290 nan 0.000 0.551 214 M N 2.112 121.786 119.600 0.122 0.000 2.562 214 M HA 0.071 4.551 4.480 -0.001 0.000 0.257 214 M C 2.712 179.085 176.300 0.121 0.000 1.099 214 M CA 1.650 57.028 55.300 0.130 0.000 1.099 214 M CB -1.241 31.439 32.600 0.134 0.000 1.427 214 M HN 0.734 nan 8.290 nan 0.000 0.489 215 G N 0.145 109.044 108.800 0.166 0.000 2.498 215 G HA2 -0.010 3.950 3.960 -0.001 0.000 0.219 215 G HA3 -0.010 3.950 3.960 -0.001 0.000 0.219 215 G C 1.478 176.429 174.900 0.085 0.000 1.119 215 G CA 0.919 46.184 45.100 0.276 0.000 0.766 215 G HN 0.543 nan 8.290 nan 0.000 0.552 216 A N -0.477 122.395 122.820 0.086 0.000 2.178 216 A HA 0.407 4.727 4.320 -0.001 0.000 0.211 216 A C 0.999 178.607 177.584 0.040 0.000 1.157 216 A CA -0.087 51.979 52.037 0.048 0.000 0.780 216 A CB 0.059 19.109 19.000 0.084 0.000 0.828 216 A HN 0.313 nan 8.150 nan 0.000 0.476 217 L N 2.647 123.906 121.223 0.060 0.000 2.283 217 L HA 0.327 4.667 4.340 -0.001 0.000 0.287 217 L C -2.530 174.355 176.870 0.026 0.000 1.073 217 L CA -1.961 52.905 54.840 0.045 0.000 0.822 217 L CB 0.806 42.903 42.059 0.063 0.000 1.186 217 L HN 0.041 nan 8.230 nan 0.000 0.436 218 P HA 0.034 nan 4.420 nan 0.000 0.271 218 P C -0.739 176.565 177.300 0.007 0.000 1.218 218 P CA -0.338 62.754 63.100 -0.014 0.000 0.780 218 P CB 0.878 32.564 31.700 -0.024 0.000 0.901 219 D N 3.109 123.516 120.400 0.012 0.000 2.417 219 D HA 0.143 4.783 4.640 -0.001 0.000 0.250 219 D C -1.887 174.422 176.300 0.015 0.000 1.166 219 D CA -1.195 52.824 54.000 0.031 0.000 0.881 219 D CB -0.482 40.348 40.800 0.051 0.000 1.164 219 D HN 0.177 nan 8.370 nan 0.000 0.467 220 P HA -0.006 nan 4.420 nan 0.000 0.265 220 P C -0.410 176.895 177.300 0.008 0.000 1.187 220 P CA 0.072 63.178 63.100 0.010 0.000 0.766 220 P CB 0.416 32.123 31.700 0.012 0.000 0.820 221 K N 3.091 123.492 120.400 0.002 0.000 2.440 221 K HA 0.144 4.464 4.320 -0.001 0.000 0.270 221 K C 0.698 177.301 176.600 0.006 0.000 0.980 221 K CA 0.419 56.707 56.287 0.001 0.000 0.953 221 K CB 0.312 32.810 32.500 -0.002 0.000 0.925 221 K HN 0.615 nan 8.250 nan 0.000 0.497 222 R N 1.008 121.512 120.500 0.006 0.000 2.663 222 R HA 0.223 4.563 4.340 -0.001 0.000 0.267 222 R C -2.717 173.587 176.300 0.007 0.000 1.038 222 R CA -1.554 54.551 56.100 0.008 0.000 0.886 222 R CB 0.830 31.138 30.300 0.013 0.000 1.249 222 R HN 0.174 nan 8.270 nan 0.000 0.463 223 P HA -0.206 nan 4.420 nan 0.000 0.216 223 P C 0.409 177.713 177.300 0.006 0.000 1.157 223 P CA 1.466 64.568 63.100 0.005 0.000 0.880 223 P CB 0.181 31.884 31.700 0.005 0.000 0.791 224 E N -1.029 119.176 120.200 0.009 0.000 2.160 224 E HA -0.137 4.212 4.350 -0.001 0.000 0.195 224 E C 1.709 178.316 176.600 0.011 0.000 0.991 224 E CA 1.919 58.326 56.400 0.011 0.000 0.810 224 E CB -1.261 28.448 29.700 0.016 0.000 0.742 224 E HN 0.439 nan 8.360 nan 0.000 0.466 225 T N -2.461 112.099 114.554 0.010 0.000 3.069 225 T HA 0.203 4.553 4.350 -0.001 0.000 0.252 225 T C 0.577 175.276 174.700 -0.001 0.000 1.053 225 T CA -0.407 61.698 62.100 0.007 0.000 0.964 225 T CB 0.048 68.923 68.868 0.012 0.000 1.005 225 T HN -0.164 nan 8.240 nan 0.000 0.532 226 M N 1.988 121.587 119.600 -0.002 0.000 2.251 226 M HA 0.335 4.814 4.480 -0.001 0.000 0.343 226 M C 1.793 178.088 176.300 -0.008 0.000 1.245 226 M CA 1.050 56.346 55.300 -0.006 0.000 1.061 226 M CB -0.805 31.793 32.600 -0.004 0.000 1.723 226 M HN 0.606 nan 8.290 nan 0.000 0.449 227 G N 2.659 111.452 108.800 -0.012 0.000 2.184 227 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.264 227 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.264 227 G C 0.109 174.999 174.900 -0.017 0.000 0.975 227 G CA -0.107 44.985 45.100 -0.014 0.000 0.642 227 G HN 0.601 nan 8.290 nan 0.000 0.536 228 L N 0.721 121.933 121.223 -0.018 0.000 2.439 228 L HA 0.279 4.619 4.340 -0.001 0.000 0.269 228 L C 1.261 178.111 176.870 -0.033 0.000 1.179 228 L CA -0.336 54.491 54.840 -0.022 0.000 0.828 228 L CB 0.442 42.487 42.059 -0.022 0.000 1.106 228 L HN 0.038 nan 8.230 nan 0.000 0.467 229 K N 3.044 123.423 120.400 -0.034 0.000 2.414 229 K HA 0.045 4.365 4.320 -0.001 0.000 0.272 229 K C -1.567 174.997 176.600 -0.060 0.000 0.993 229 K CA -1.299 54.963 56.287 -0.043 0.000 0.964 229 K CB 0.544 33.021 32.500 -0.039 0.000 0.925 229 K HN 0.283 nan 8.250 nan 0.000 0.487 230 P HA -0.265 nan 4.420 nan 0.000 0.217 230 P C 0.645 177.864 177.300 -0.135 0.000 1.162 230 P CA 1.712 64.749 63.100 -0.104 0.000 0.901 230 P CB 0.109 31.750 31.700 -0.098 0.000 0.793 231 E N -0.611 119.524 120.200 -0.109 0.000 2.114 231 E HA -0.214 4.136 4.350 -0.001 0.000 0.199 231 E C 1.091 177.644 176.600 -0.079 0.000 1.008 231 E CA 1.424 57.767 56.400 -0.096 0.000 0.810 231 E CB -0.807 28.856 29.700 -0.062 0.000 0.739 231 E HN 0.355 nan 8.360 nan 0.000 0.456 232 D N 0.477 120.840 120.400 -0.061 0.000 2.349 232 D HA 0.027 4.667 4.640 -0.001 0.000 0.214 232 D C 0.028 176.308 176.300 -0.033 0.000 1.063 232 D CA 0.226 54.209 54.000 -0.029 0.000 0.847 232 D CB 0.140 40.931 40.800 -0.016 0.000 0.933 232 D HN 0.262 nan 8.370 nan 0.000 0.513 233 Q N 1.835 121.584 119.800 -0.085 0.000 2.340 233 Q HA 0.221 4.561 4.340 -0.001 0.000 0.249 233 Q C -2.012 173.937 176.000 -0.085 0.000 0.957 233 Q CA -1.430 54.322 55.803 -0.084 0.000 0.882 233 Q CB 0.747 29.414 28.738 -0.119 0.000 1.235 233 Q HN 0.060 nan 8.270 nan 0.000 0.439 234 P HA 0.051 nan 4.420 nan 0.000 0.275 234 P C -1.177 176.184 177.300 0.101 0.000 1.270 234 P CA -0.151 63.035 63.100 0.144 0.000 0.791 234 P CB 0.485 32.273 31.700 0.147 0.000 1.089 235 W N -0.739 120.605 121.300 0.073 0.000 2.576 235 W HA 0.431 5.091 4.660 -0.001 0.000 0.360 235 W C 0.632 177.161 176.519 0.016 0.000 1.109 235 W CA -0.242 57.123 57.345 0.033 0.000 1.237 235 W CB 0.135 29.611 29.460 0.027 0.000 1.369 235 W HN 0.280 nan 8.180 nan 0.000 0.609 236 S N 0.614 116.443 115.700 0.214 0.000 2.614 236 S HA 0.176 4.646 4.470 -0.001 0.000 0.265 236 S C 1.198 175.868 174.600 0.117 0.000 1.303 236 S CA -0.403 57.875 58.200 0.129 0.000 1.000 236 S CB 1.064 64.313 63.200 0.082 0.000 0.935 236 S HN 0.629 nan 8.310 nan 0.000 0.551 237 K N 0.455 120.912 120.400 0.095 0.000 2.059 237 K HA -0.172 4.148 4.320 -0.001 0.000 0.212 237 K C 1.254 177.893 176.600 0.064 0.000 1.050 237 K CA 1.675 58.017 56.287 0.092 0.000 0.927 237 K CB -0.707 31.837 32.500 0.074 0.000 0.714 237 K HN 0.610 nan 8.250 nan 0.000 0.447 238 I N 1.360 121.957 120.570 0.045 0.000 3.564 238 I HA 0.070 4.240 4.170 -0.001 0.000 0.294 238 I C 2.352 178.453 176.117 -0.026 0.000 1.289 238 I CA 0.410 61.732 61.300 0.037 0.000 1.325 238 I CB -1.278 36.767 38.000 0.074 0.000 1.039 238 I HN 0.239 nan 8.210 nan 0.000 0.474 239 A N 1.331 124.077 122.820 -0.123 0.000 1.903 239 A HA -0.229 4.091 4.320 -0.001 0.000 0.219 239 A C 1.667 178.862 177.584 -0.649 0.000 1.191 239 A CA 1.831 53.665 52.037 -0.339 0.000 0.638 239 A CB -1.036 17.719 19.000 -0.409 0.000 0.823 239 A HN 0.597 nan 8.150 nan 0.000 0.451 240 H N -1.539 117.297 119.070 -0.390 0.000 2.487 240 H HA 0.486 5.042 4.556 -0.001 0.000 0.290 240 H C 1.034 176.219 175.328 -0.238 0.000 1.081 240 H CA -0.085 55.606 56.048 -0.594 0.000 1.116 240 H CB 0.237 29.224 29.762 -1.293 0.000 1.560 240 H HN 0.365 nan 8.280 nan 0.000 0.548 241 L N -0.991 120.248 121.223 0.027 0.000 2.577 241 L HA 0.217 4.557 4.340 -0.001 0.000 0.225 241 L C -0.339 176.707 176.870 0.294 0.000 1.053 241 L CA 0.098 55.043 54.840 0.176 0.000 0.866 241 L CB 0.730 42.838 42.059 0.081 0.000 1.132 241 L HN 0.161 nan 8.230 nan 0.000 0.486 242 F N 2.350 122.319 119.950 0.030 0.000 2.612 242 F HA 0.458 4.985 4.527 -0.001 0.000 0.332 242 F C -2.260 173.477 175.800 -0.105 0.000 1.167 242 F CA -2.423 55.553 58.000 -0.040 0.000 0.970 242 F CB 1.720 40.684 39.000 -0.060 0.000 1.234 242 F HN -0.262 nan 8.300 nan 0.000 0.453 243 P HA -0.140 nan 4.420 nan 0.000 0.222 243 P C 1.050 178.037 177.300 -0.521 0.000 1.153 243 P CA 1.260 64.020 63.100 -0.566 0.000 0.798 243 P CB 0.193 31.479 31.700 -0.689 0.000 0.796 244 Y N 0.784 120.418 120.300 -1.111 0.000 2.242 244 Y HA 0.077 4.626 4.550 -0.001 0.000 0.291 244 Y C 2.281 177.974 175.900 -0.345 0.000 1.137 244 Y CA 0.502 58.040 58.100 -0.936 0.000 1.181 244 Y CB -1.499 36.335 38.460 -1.043 0.000 0.989 244 Y HN 0.084 nan 8.280 nan 0.000 0.527 245 G N 0.362 109.131 108.800 -0.052 0.000 2.574 245 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.286 245 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.286 245 G C -0.504 174.605 174.900 0.348 0.000 1.212 245 G CA 0.329 45.569 45.100 0.233 0.000 0.979 245 G HN 0.419 nan 8.290 nan 0.000 0.557 246 F N 0.782 120.818 119.950 0.143 0.000 2.588 246 F HA 0.640 5.167 4.527 -0.001 0.000 0.314 246 F C 0.750 176.608 175.800 0.096 0.000 1.069 246 F CA 1.383 59.456 58.000 0.122 0.000 0.931 246 F CB 1.535 40.599 39.000 0.108 0.000 1.260 246 F HN 2.441 nan 8.300 nan 0.000 0.465 247 G N 3.449 111.709 108.800 -0.901 0.000 2.632 247 G HA2 -0.134 3.826 3.960 -0.001 0.000 0.224 247 G HA3 -0.134 3.826 3.960 -0.001 0.000 0.224 247 G C -2.775 172.004 174.900 -0.202 0.000 1.341 247 G CA -0.713 44.048 45.100 -0.565 0.000 0.880 247 G HN 0.706 nan 8.290 nan 0.000 0.566 248 P HA 0.245 nan 4.420 nan 0.000 0.261 248 P C -0.595 176.770 177.300 0.108 0.000 1.183 248 P CA 0.161 63.262 63.100 0.002 0.000 0.761 248 P CB 0.138 31.845 31.700 0.012 0.000 0.785 249 Y N 4.868 125.146 120.300 -0.036 0.000 2.632 249 Y HA 0.207 4.757 4.550 -0.001 0.000 0.336 249 Y C 1.255 177.198 175.900 0.072 0.000 1.237 249 Y CA -1.051 57.062 58.100 0.022 0.000 1.595 249 Y CB -0.662 37.785 38.460 -0.021 0.000 1.508 249 Y HN 0.345 nan 8.280 nan 0.000 0.480 250 I N -0.896 119.683 120.570 0.016 0.000 3.564 250 I HA 0.038 4.208 4.170 -0.001 0.000 0.294 250 I C 0.858 176.902 176.117 -0.122 0.000 1.289 250 I CA 0.486 61.742 61.300 -0.074 0.000 1.325 250 I CB 0.077 38.090 38.000 0.022 0.000 1.039 250 I HN 0.192 nan 8.210 nan 0.000 0.474 251 D N 2.830 123.134 120.400 -0.160 0.000 2.116 251 D HA -0.160 4.480 4.640 -0.001 0.000 0.193 251 D C 2.384 178.793 176.300 0.182 0.000 0.998 251 D CA 1.983 56.069 54.000 0.142 0.000 0.836 251 D CB -0.458 40.426 40.800 0.140 0.000 0.951 251 D HN 0.525 nan 8.370 nan 0.000 0.449 252 G N 0.403 109.194 108.800 -0.015 0.000 2.462 252 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.220 252 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.220 252 G C 1.540 176.239 174.900 -0.334 0.000 1.121 252 G CA 0.177 45.174 45.100 -0.172 0.000 0.758 252 G HN 0.258 nan 8.290 nan 0.000 0.559 253 L N -0.595 120.389 121.223 -0.398 0.000 2.187 253 L HA -0.030 4.310 4.340 -0.001 0.000 0.213 253 L C 1.869 178.339 176.870 -0.666 0.000 1.100 253 L CA 0.804 55.302 54.840 -0.570 0.000 0.765 253 L CB -0.309 41.265 42.059 -0.808 0.000 0.904 253 L HN 0.211 nan 8.230 nan 0.000 0.437 254 F N -0.712 119.126 119.950 -0.186 0.000 2.732 254 F HA 0.058 4.584 4.527 -0.001 0.000 0.303 254 F C 1.309 176.906 175.800 -0.338 0.000 1.110 254 F CA -0.450 57.434 58.000 -0.195 0.000 1.355 254 F CB -0.354 38.596 39.000 -0.083 0.000 1.081 254 F HN -0.040 nan 8.300 nan 0.000 0.565 255 S N -0.245 115.179 115.700 -0.460 0.000 2.451 255 S HA 0.367 4.837 4.470 -0.001 0.000 0.301 255 S C 0.083 174.424 174.600 -0.432 0.000 1.116 255 S CA -0.606 57.217 58.200 -0.629 0.000 1.093 255 S CB 1.587 64.024 63.200 -1.272 0.000 1.017 255 S HN 0.331 nan 8.310 nan 0.000 0.482 256 Q N 0.050 119.651 119.800 -0.332 0.000 2.478 256 Q HA -0.176 4.164 4.340 -0.001 0.000 0.286 256 Q C -0.145 175.705 176.000 -0.250 0.000 1.299 256 Q CA 1.006 56.643 55.803 -0.277 0.000 0.826 256 Q CB -2.169 26.401 28.738 -0.281 0.000 1.199 256 Q HN 1.105 nan 8.270 nan 0.000 0.451 257 S N -0.931 114.623 115.700 -0.243 0.000 2.685 257 S HA 0.664 5.134 4.470 -0.001 0.000 0.282 257 S C -0.059 174.408 174.600 -0.223 0.000 1.159 257 S CA -0.369 57.694 58.200 -0.228 0.000 0.833 257 S CB 1.253 64.313 63.200 -0.234 0.000 1.151 257 S HN 0.282 nan 8.310 nan 0.000 0.485 258 N N -0.222 118.351 118.700 -0.211 0.000 2.328 258 N HA 0.226 4.966 4.740 -0.001 0.000 0.247 258 N C 0.493 175.929 175.510 -0.124 0.000 1.165 258 N CA -0.447 52.483 53.050 -0.200 0.000 0.873 258 N CB 0.002 38.353 38.487 -0.226 0.000 1.125 258 N HN 0.460 nan 8.380 nan 0.000 0.513 259 M N -0.326 119.225 119.600 -0.082 0.000 2.595 259 M HA 0.306 4.786 4.480 -0.001 0.000 0.248 259 M C 0.595 177.009 176.300 0.191 0.000 1.119 259 M CA 0.247 55.541 55.300 -0.009 0.000 1.079 259 M CB -0.581 31.907 32.600 -0.187 0.000 1.472 259 M HN 0.378 nan 8.290 nan 0.000 0.501 260 G N 0.303 109.189 108.800 0.142 0.000 2.356 260 G HA2 0.469 4.429 3.960 -0.001 0.000 0.294 260 G HA3 0.469 4.429 3.960 -0.001 0.000 0.294 260 G C -1.649 173.217 174.900 -0.057 0.000 1.423 260 G CA -0.922 44.218 45.100 0.068 0.000 0.806 260 G HN 0.129 nan 8.290 nan 0.000 0.527 261 I N 1.128 121.631 120.570 -0.112 0.000 2.354 261 I HA 0.325 4.494 4.170 -0.001 0.000 0.286 261 I C 0.089 176.118 176.117 -0.146 0.000 1.007 261 I CA -0.974 60.250 61.300 -0.126 0.000 1.167 261 I CB 1.779 39.715 38.000 -0.106 0.000 1.320 261 I HN 0.156 nan 8.210 nan 0.000 0.458 262 V N 5.817 125.649 119.914 -0.137 0.000 2.470 262 V HA 0.047 4.167 4.120 -0.001 0.000 0.276 262 V C 1.307 177.352 176.094 -0.081 0.000 1.040 262 V CA 0.263 62.490 62.300 -0.121 0.000 1.008 262 V CB 0.852 32.626 31.823 -0.081 0.000 0.990 262 V HN 0.948 nan 8.190 nan 0.000 0.477 263 T N 1.835 116.352 114.554 -0.062 0.000 3.034 263 T HA 0.280 4.630 4.350 -0.001 0.000 0.248 263 T C 0.500 175.205 174.700 0.008 0.000 1.040 263 T CA 0.066 62.145 62.100 -0.034 0.000 1.107 263 T CB 0.338 69.186 68.868 -0.034 0.000 0.932 263 T HN 0.546 nan 8.240 nan 0.000 0.474 264 K N -0.042 120.391 120.400 0.055 0.000 2.508 264 K HA 0.781 5.101 4.320 -0.001 0.000 0.260 264 K C -1.819 174.825 176.600 0.073 0.000 0.949 264 K CA -0.834 55.513 56.287 0.099 0.000 0.834 264 K CB 3.031 35.703 32.500 0.287 0.000 1.365 264 K HN 0.165 nan 8.250 nan 0.000 0.437 265 I N 0.033 120.585 120.570 -0.031 0.000 2.775 265 I HA 0.418 4.588 4.170 -0.001 0.000 0.295 265 I C -1.073 174.895 176.117 -0.249 0.000 1.287 265 I CA -0.446 60.796 61.300 -0.097 0.000 1.029 265 I CB 2.156 40.112 38.000 -0.073 0.000 1.282 265 I HN 0.748 nan 8.210 nan 0.000 0.426 266 G N 7.146 115.754 108.800 -0.319 0.000 2.348 266 G HA2 0.646 4.606 3.960 -0.001 0.000 0.312 266 G HA3 0.646 4.606 3.960 -0.001 0.000 0.312 266 G C -1.063 173.667 174.900 -0.285 0.000 1.126 266 G CA -0.296 44.549 45.100 -0.425 0.000 0.865 266 G HN 0.321 nan 8.290 nan 0.000 0.474 267 I N 2.184 122.649 120.570 -0.175 0.000 2.468 267 I HA 0.260 4.430 4.170 -0.001 0.000 0.285 267 I C -0.763 175.428 176.117 0.123 0.000 1.039 267 I CA -1.374 59.858 61.300 -0.114 0.000 1.074 267 I CB 1.513 39.476 38.000 -0.061 0.000 1.228 267 I HN 0.462 nan 8.210 nan 0.000 0.436 268 W N 6.805 128.155 121.300 0.084 0.000 2.193 268 W HA 0.297 4.957 4.660 -0.001 0.000 0.338 268 W C -0.082 176.602 176.519 0.275 0.000 1.310 268 W CA -0.343 57.120 57.345 0.197 0.000 1.243 268 W CB 0.137 29.710 29.460 0.189 0.000 1.165 268 W HN 0.237 nan 8.180 nan 0.000 0.566 269 L N 4.253 125.701 121.223 0.375 0.000 2.365 269 L HA 0.443 4.782 4.340 -0.001 0.000 0.273 269 L C 0.158 176.861 176.870 -0.278 0.000 1.000 269 L CA -1.128 53.736 54.840 0.039 0.000 0.819 269 L CB 1.929 44.005 42.059 0.028 0.000 1.284 269 L HN 0.251 nan 8.230 nan 0.000 0.418 270 M N 4.030 123.161 119.600 -0.782 0.000 2.200 270 M HA 0.280 4.759 4.480 -0.001 0.000 0.355 270 M C -2.273 173.793 176.300 -0.391 0.000 1.283 270 M CA -1.283 53.500 55.300 -0.862 0.000 1.124 270 M CB 1.187 33.211 32.600 -0.960 0.000 1.625 270 M HN 0.196 nan 8.290 nan 0.000 0.463 271 P HA -0.050 nan 4.420 nan 0.000 0.266 271 P C -0.865 176.162 177.300 -0.456 0.000 1.195 271 P CA -0.060 62.877 63.100 -0.271 0.000 0.768 271 P CB 0.269 31.852 31.700 -0.196 0.000 0.838 272 N N 4.893 123.271 118.700 -0.538 0.000 2.217 272 N HA -0.096 4.644 4.740 -0.001 0.000 0.268 272 N C -1.167 173.954 175.510 -0.649 0.000 1.290 272 N CA -0.582 51.910 53.050 -0.929 0.000 0.831 272 N CB 0.227 38.422 38.487 -0.486 0.000 1.057 272 N HN 0.281 nan 8.380 nan 0.000 0.481 273 P HA 0.075 nan 4.420 nan 0.000 0.233 273 P C 0.408 177.587 177.300 -0.202 0.000 1.167 273 P CA 0.754 63.638 63.100 -0.360 0.000 0.770 273 P CB 0.046 31.603 31.700 -0.238 0.000 0.837 274 G N -0.638 108.039 108.800 -0.205 0.000 2.225 274 G HA2 0.089 4.049 3.960 -0.001 0.000 0.264 274 G HA3 0.089 4.049 3.960 -0.001 0.000 0.264 274 G C 0.308 175.195 174.900 -0.023 0.000 1.060 274 G CA -0.231 44.820 45.100 -0.082 0.000 0.833 274 G HN 0.781 nan 8.290 nan 0.000 0.498 275 G N -1.461 107.347 108.800 0.014 0.000 2.226 275 G HA2 0.606 4.566 3.960 -0.001 0.000 0.257 275 G HA3 0.606 4.566 3.960 -0.001 0.000 0.257 275 G C -1.297 173.697 174.900 0.158 0.000 1.732 275 G CA 0.097 45.236 45.100 0.065 0.000 0.914 275 G HN 1.779 nan 8.290 nan 0.000 0.742 276 Y N 1.340 121.628 120.300 -0.019 0.000 2.482 276 Y HA 0.776 5.325 4.550 -0.001 0.000 0.334 276 Y C -1.060 174.722 175.900 -0.195 0.000 1.091 276 Y CA -1.194 56.866 58.100 -0.067 0.000 1.027 276 Y CB 2.804 41.388 38.460 0.206 0.000 1.306 276 Y HN 0.822 nan 8.280 nan 0.000 0.446 277 Q N 3.710 122.892 119.800 -1.030 0.000 2.334 277 Q HA 0.502 4.842 4.340 -0.001 0.000 0.249 277 Q C -1.520 173.871 176.000 -1.015 0.000 0.909 277 Q CA -0.476 54.717 55.803 -1.016 0.000 0.823 277 Q CB 1.577 29.794 28.738 -0.869 0.000 1.353 277 Q HN 0.734 nan 8.270 nan 0.000 0.433 278 S N 2.569 117.708 115.700 -0.935 0.000 2.669 278 S HA 0.891 5.360 4.470 -0.001 0.000 0.270 278 S C -0.565 173.889 174.600 -0.243 0.000 1.225 278 S CA -0.139 57.727 58.200 -0.558 0.000 0.991 278 S CB 0.778 63.775 63.200 -0.338 0.000 0.987 278 S HN 0.865 nan 8.310 nan 0.000 0.552 279 Y N -1.706 118.501 120.300 -0.155 0.000 2.702 279 Y HA 0.736 5.286 4.550 -0.001 0.000 0.336 279 Y C -1.937 173.942 175.900 -0.035 0.000 1.203 279 Y CA -1.661 56.439 58.100 -0.000 0.000 1.072 279 Y CB 0.609 39.028 38.460 -0.068 0.000 1.327 279 Y HN 0.760 nan 8.280 nan 0.000 0.456 280 L N 3.355 124.723 121.223 0.242 0.000 2.381 280 L HA 0.777 5.116 4.340 -0.001 0.000 0.274 280 L C -1.735 175.275 176.870 0.233 0.000 0.988 280 L CA -0.982 53.835 54.840 -0.038 0.000 0.824 280 L CB 1.535 43.457 42.059 -0.229 0.000 1.263 280 L HN 0.696 nan 8.230 nan 0.000 0.410 281 I N 4.174 124.825 120.570 0.135 0.000 2.382 281 I HA 0.356 4.526 4.170 -0.001 0.000 0.286 281 I C -0.058 176.067 176.117 0.013 0.000 1.002 281 I CA -0.602 60.734 61.300 0.061 0.000 1.135 281 I CB 1.883 39.862 38.000 -0.034 0.000 1.288 281 I HN 0.688 nan 8.210 nan 0.000 0.448 282 T N 5.129 119.684 114.554 0.001 0.000 2.771 282 T HA 0.638 4.987 4.350 -0.001 0.000 0.291 282 T C -0.396 174.317 174.700 0.021 0.000 0.954 282 T CA -0.648 61.474 62.100 0.036 0.000 1.045 282 T CB 0.851 69.773 68.868 0.091 0.000 0.917 282 T HN 0.360 nan 8.240 nan 0.000 0.484 283 L N 4.956 126.232 121.223 0.089 0.000 2.295 283 L HA 0.355 4.695 4.340 -0.001 0.000 0.281 283 L C -1.827 175.106 176.870 0.106 0.000 1.018 283 L CA -2.474 52.434 54.840 0.112 0.000 0.841 283 L CB 1.628 43.803 42.059 0.194 0.000 1.218 283 L HN 0.376 nan 8.230 nan 0.000 0.424 284 P HA -0.129 nan 4.420 nan 0.000 0.214 284 P C -0.008 177.334 177.300 0.070 0.000 1.163 284 P CA 1.302 64.430 63.100 0.047 0.000 0.883 284 P CB 0.193 31.908 31.700 0.026 0.000 0.788 285 K N -0.120 120.338 120.400 0.097 0.000 2.098 285 K HA 0.063 4.383 4.320 -0.001 0.000 0.261 285 K C 0.809 177.548 176.600 0.232 0.000 0.987 285 K CA -0.278 56.082 56.287 0.121 0.000 0.916 285 K CB 0.411 32.967 32.500 0.093 0.000 1.039 285 K HN -0.128 nan 8.250 nan 0.000 0.455 286 D N 1.788 122.326 120.400 0.230 0.000 2.123 286 D HA -0.125 4.514 4.640 -0.001 0.000 0.196 286 D C 1.509 178.077 176.300 0.446 0.000 0.992 286 D CA 1.775 56.015 54.000 0.401 0.000 0.833 286 D CB -0.096 40.896 40.800 0.320 0.000 0.954 286 D HN 0.780 nan 8.370 nan 0.000 0.455 287 G N -0.581 108.363 108.800 0.241 0.000 2.625 287 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.214 287 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.214 287 G C 1.137 176.064 174.900 0.045 0.000 1.132 287 G CA 0.371 45.552 45.100 0.135 0.000 0.782 287 G HN 0.225 nan 8.290 nan 0.000 0.538 288 D N 0.099 120.544 120.400 0.075 0.000 2.371 288 D HA -0.046 4.594 4.640 -0.001 0.000 0.221 288 D C 2.298 178.512 176.300 -0.143 0.000 0.986 288 D CA -0.016 53.983 54.000 -0.001 0.000 0.899 288 D CB 0.222 41.060 40.800 0.063 0.000 0.902 288 D HN 0.262 nan 8.370 nan 0.000 0.530 289 L N 1.825 122.835 121.223 -0.354 0.000 2.013 289 L HA -0.266 4.073 4.340 -0.001 0.000 0.212 289 L C 2.210 178.815 176.870 -0.442 0.000 1.073 289 L CA 1.957 56.383 54.840 -0.690 0.000 0.753 289 L CB -0.533 40.805 42.059 -1.201 0.000 0.890 289 L HN -0.154 nan 8.230 nan 0.000 0.432 290 K N -0.455 119.770 120.400 -0.293 0.000 2.009 290 K HA -0.277 4.042 4.320 -0.001 0.000 0.210 290 K C 2.253 178.728 176.600 -0.208 0.000 1.049 290 K CA 2.337 58.491 56.287 -0.221 0.000 0.929 290 K CB -0.588 31.834 32.500 -0.129 0.000 0.714 290 K HN 0.601 nan 8.250 nan 0.000 0.440 291 Q N -0.809 118.884 119.800 -0.179 0.000 2.187 291 Q HA 0.017 4.357 4.340 -0.001 0.000 0.199 291 Q C 1.884 177.731 176.000 -0.255 0.000 0.957 291 Q CA 0.993 56.685 55.803 -0.184 0.000 0.857 291 Q CB -0.173 28.481 28.738 -0.140 0.000 0.929 291 Q HN 0.445 nan 8.270 nan 0.000 0.453 292 A N 0.128 122.796 122.820 -0.253 0.000 1.883 292 A HA -0.154 4.166 4.320 -0.001 0.000 0.217 292 A C 2.169 179.541 177.584 -0.353 0.000 1.186 292 A CA 1.683 53.543 52.037 -0.294 0.000 0.624 292 A CB -0.852 18.073 19.000 -0.125 0.000 0.822 292 A HN 0.292 nan 8.150 nan 0.000 0.444 293 V N 0.709 120.429 119.914 -0.324 0.000 2.343 293 V HA -0.237 3.882 4.120 -0.001 0.000 0.247 293 V C 2.085 178.029 176.094 -0.251 0.000 1.051 293 V CA 2.232 64.349 62.300 -0.306 0.000 1.036 293 V CB -0.873 30.727 31.823 -0.371 0.000 0.654 293 V HN 0.487 nan 8.190 nan 0.000 0.451 294 D N -0.101 120.156 120.400 -0.238 0.000 2.178 294 D HA -0.099 4.540 4.640 -0.001 0.000 0.201 294 D C 2.028 178.193 176.300 -0.225 0.000 0.980 294 D CA 1.225 55.109 54.000 -0.194 0.000 0.842 294 D CB -0.059 40.641 40.800 -0.166 0.000 0.948 294 D HN 0.419 nan 8.370 nan 0.000 0.472 295 I N 0.377 120.750 120.570 -0.329 0.000 2.277 295 I HA -0.158 4.012 4.170 -0.001 0.000 0.243 295 I C 2.357 178.261 176.117 -0.356 0.000 1.094 295 I CA 0.410 61.453 61.300 -0.428 0.000 1.393 295 I CB 0.012 37.563 38.000 -0.749 0.000 1.078 295 I HN -0.083 nan 8.210 nan 0.000 0.417 296 I N 0.444 120.814 120.570 -0.333 0.000 2.151 296 I HA -0.384 3.786 4.170 -0.001 0.000 0.243 296 I C 2.751 178.829 176.117 -0.065 0.000 1.080 296 I CA 1.336 62.548 61.300 -0.146 0.000 1.339 296 I CB -0.537 37.385 38.000 -0.130 0.000 1.039 296 I HN 0.251 nan 8.210 nan 0.000 0.409 297 R N 1.151 121.598 120.500 -0.088 0.000 2.196 297 R HA -0.237 4.103 4.340 -0.001 0.000 0.234 297 R C -0.406 175.879 176.300 -0.025 0.000 1.113 297 R CA 3.091 59.160 56.100 -0.052 0.000 0.899 297 R CB -1.726 28.530 30.300 -0.073 0.000 0.863 297 R HN 0.240 nan 8.270 nan 0.000 0.430 298 P HA -0.161 nan 4.420 nan 0.000 0.216 298 P C 1.542 178.845 177.300 0.006 0.000 1.150 298 P CA 1.534 64.621 63.100 -0.022 0.000 0.837 298 P CB -0.213 31.462 31.700 -0.042 0.000 0.786 299 L N -1.160 120.071 121.223 0.013 0.000 2.093 299 L HA -0.082 4.258 4.340 -0.001 0.000 0.208 299 L C 2.987 179.922 176.870 0.107 0.000 1.085 299 L CA 1.145 56.025 54.840 0.067 0.000 0.755 299 L CB -0.696 41.424 42.059 0.102 0.000 0.904 299 L HN -0.076 nan 8.230 nan 0.000 0.435 300 R N 0.360 120.922 120.500 0.103 0.000 2.066 300 R HA -0.125 4.215 4.340 -0.001 0.000 0.232 300 R C 2.084 178.435 176.300 0.084 0.000 1.131 300 R CA 1.369 57.539 56.100 0.117 0.000 0.955 300 R CB -0.538 29.825 30.300 0.104 0.000 0.851 300 R HN 0.073 nan 8.270 nan 0.000 0.432 301 L N -0.486 120.771 121.223 0.057 0.000 2.131 301 L HA 0.078 4.417 4.340 -0.001 0.000 0.210 301 L C 1.677 178.574 176.870 0.046 0.000 1.092 301 L CA 2.217 57.083 54.840 0.044 0.000 0.759 301 L CB -1.010 41.064 42.059 0.026 0.000 0.903 301 L HN 0.432 nan 8.230 nan 0.000 0.435 302 G N -2.736 106.094 108.800 0.051 0.000 3.502 302 G HA2 0.222 4.182 3.960 -0.001 0.000 0.267 302 G HA3 0.222 4.182 3.960 -0.001 0.000 0.267 302 G C 0.734 175.674 174.900 0.067 0.000 1.090 302 G CA -0.197 44.932 45.100 0.048 0.000 0.795 302 G HN 0.261 nan 8.290 nan 0.000 0.535 303 M N -0.464 119.187 119.600 0.086 0.000 2.360 303 M HA -0.273 4.206 4.480 -0.001 0.000 0.202 303 M C 1.698 178.077 176.300 0.132 0.000 0.390 303 M CA 0.398 55.764 55.300 0.110 0.000 0.470 303 M CB -1.403 31.250 32.600 0.087 0.000 1.637 303 M HN 0.326 nan 8.290 nan 0.000 0.885 304 A N -0.411 122.496 122.820 0.146 0.000 1.930 304 A HA 0.238 4.558 4.320 -0.001 0.000 0.215 304 A C 0.920 178.659 177.584 0.257 0.000 1.176 304 A CA 0.757 52.900 52.037 0.178 0.000 0.632 304 A CB 0.266 19.364 19.000 0.164 0.000 0.819 304 A HN 0.537 nan 8.150 nan 0.000 0.445 305 L N 0.758 122.138 121.223 0.262 0.000 2.272 305 L HA 0.223 4.563 4.340 -0.001 0.000 0.284 305 L C 0.841 177.869 176.870 0.263 0.000 1.045 305 L CA -0.352 54.683 54.840 0.325 0.000 0.842 305 L CB 1.269 43.541 42.059 0.356 0.000 1.224 305 L HN 0.430 nan 8.230 nan 0.000 0.430 306 Q N 1.337 121.314 119.800 0.295 0.000 2.061 306 Q HA -0.062 4.277 4.340 -0.001 0.000 0.195 306 Q C 0.886 176.997 176.000 0.185 0.000 0.967 306 Q CA 0.889 56.836 55.803 0.240 0.000 0.829 306 Q CB 0.140 29.079 28.738 0.336 0.000 0.900 306 Q HN 0.747 nan 8.270 nan 0.000 0.450 307 N N 0.178 119.033 118.700 0.258 0.000 2.386 307 N HA 0.043 4.782 4.740 -0.001 0.000 0.291 307 N C -0.275 175.336 175.510 0.168 0.000 1.309 307 N CA -0.345 52.821 53.050 0.192 0.000 0.948 307 N CB 0.028 38.715 38.487 0.333 0.000 1.083 307 N HN -0.136 nan 8.380 nan 0.000 0.527 308 V N 1.608 121.613 119.914 0.153 0.000 2.270 308 V HA 0.313 4.433 4.120 -0.001 0.000 0.263 308 V C -2.036 174.192 176.094 0.224 0.000 1.066 308 V CA -1.262 61.124 62.300 0.145 0.000 0.857 308 V CB 0.105 31.945 31.823 0.027 0.000 1.099 308 V HN 0.644 nan 8.190 nan 0.000 0.476 309 P HA 0.310 nan 4.420 nan 0.000 0.274 309 P C -0.210 177.169 177.300 0.132 0.000 1.237 309 P CA 0.090 63.231 63.100 0.068 0.000 0.793 309 P CB 1.204 32.962 31.700 0.097 0.000 0.977 310 T N -1.321 113.239 114.554 0.011 0.000 2.907 310 T HA 0.694 5.044 4.350 -0.001 0.000 0.292 310 T C -0.088 174.772 174.700 0.267 0.000 1.043 310 T CA -0.854 61.331 62.100 0.141 0.000 1.003 310 T CB 0.874 69.745 68.868 0.004 0.000 1.084 310 T HN 0.228 nan 8.240 nan 0.000 0.483 311 I N 2.242 123.052 120.570 0.401 0.000 2.428 311 I HA 0.388 4.557 4.170 -0.001 0.000 0.279 311 I C 0.342 176.781 176.117 0.537 0.000 1.040 311 I CA -0.856 60.759 61.300 0.524 0.000 1.171 311 I CB 0.861 39.137 38.000 0.459 0.000 1.312 311 I HN 0.427 nan 8.210 nan 0.000 0.470 312 R N 3.430 124.200 120.500 0.450 0.000 2.457 312 R HA 0.341 4.681 4.340 -0.001 0.000 0.284 312 R C 0.069 176.533 176.300 0.274 0.000 1.024 312 R CA -0.729 55.553 56.100 0.302 0.000 1.025 312 R CB 1.187 31.571 30.300 0.139 0.000 1.063 312 R HN 0.501 nan 8.270 nan 0.000 0.493 313 H N 2.833 121.876 119.070 -0.046 0.000 2.610 313 H HA 0.003 4.559 4.556 -0.001 0.000 0.336 313 H C 1.127 176.243 175.328 -0.354 0.000 1.087 313 H CA -0.259 55.486 56.048 -0.505 0.000 1.405 313 H CB 1.151 30.654 29.762 -0.432 0.000 1.460 313 H HN 0.574 nan 8.280 nan 0.000 0.538 314 I N 4.948 124.994 120.570 -0.874 0.000 2.185 314 I HA -0.326 3.844 4.170 -0.001 0.000 0.246 314 I C 2.027 177.906 176.117 -0.397 0.000 1.088 314 I CA 1.451 62.432 61.300 -0.532 0.000 1.347 314 I CB -0.373 37.310 38.000 -0.528 0.000 1.041 314 I HN 0.728 nan 8.210 nan 0.000 0.415 315 L N -0.839 120.169 121.223 -0.358 0.000 2.201 315 L HA -0.176 4.164 4.340 -0.001 0.000 0.212 315 L C 2.390 179.011 176.870 -0.415 0.000 1.105 315 L CA 0.831 55.448 54.840 -0.372 0.000 0.775 315 L CB -0.599 41.257 42.059 -0.338 0.000 0.913 315 L HN 0.371 nan 8.230 nan 0.000 0.440 316 L N -0.061 120.985 121.223 -0.295 0.000 2.027 316 L HA -0.205 4.135 4.340 -0.001 0.000 0.206 316 L C 2.007 178.768 176.870 -0.183 0.000 1.074 316 L CA 1.874 56.507 54.840 -0.345 0.000 0.745 316 L CB -0.506 41.348 42.059 -0.343 0.000 0.898 316 L HN 0.156 nan 8.230 nan 0.000 0.433 317 D N -0.256 120.064 120.400 -0.134 0.000 2.117 317 D HA -0.121 4.519 4.640 -0.001 0.000 0.198 317 D C 2.213 178.510 176.300 -0.005 0.000 0.982 317 D CA 1.427 55.398 54.000 -0.049 0.000 0.828 317 D CB -0.193 40.595 40.800 -0.020 0.000 0.967 317 D HN 0.474 nan 8.370 nan 0.000 0.464 318 A N 0.933 123.703 122.820 -0.082 0.000 1.902 318 A HA -0.061 4.258 4.320 -0.001 0.000 0.217 318 A C 2.284 180.025 177.584 0.263 0.000 1.181 318 A CA 2.189 54.219 52.037 -0.011 0.000 0.623 318 A CB -0.656 18.107 19.000 -0.395 0.000 0.818 318 A HN 0.237 nan 8.150 nan 0.000 0.443 319 A N -0.706 122.171 122.820 0.096 0.000 1.968 319 A HA 0.085 4.405 4.320 -0.001 0.000 0.217 319 A C 2.167 179.956 177.584 0.342 0.000 1.169 319 A CA 1.486 53.729 52.037 0.344 0.000 0.638 319 A CB -0.763 18.294 19.000 0.095 0.000 0.812 319 A HN 0.354 nan 8.150 nan 0.000 0.446 320 V N 0.277 120.335 119.914 0.240 0.000 2.392 320 V HA -0.250 3.869 4.120 -0.001 0.000 0.249 320 V C 2.453 178.651 176.094 0.174 0.000 1.059 320 V CA 1.919 64.338 62.300 0.198 0.000 1.051 320 V CB -0.634 31.268 31.823 0.132 0.000 0.658 320 V HN 0.583 nan 8.190 nan 0.000 0.455 321 L N -0.737 120.609 121.223 0.205 0.000 2.240 321 L HA 0.289 4.629 4.340 -0.001 0.000 0.211 321 L C 0.993 177.969 176.870 0.176 0.000 1.106 321 L CA 1.027 55.978 54.840 0.185 0.000 0.793 321 L CB -0.345 41.837 42.059 0.204 0.000 0.927 321 L HN 0.524 nan 8.230 nan 0.000 0.446 322 G N -0.241 108.725 108.800 0.277 0.000 2.596 322 G HA2 0.240 4.200 3.960 -0.001 0.000 0.296 322 G HA3 0.240 4.200 3.960 -0.001 0.000 0.296 322 G C -1.622 173.452 174.900 0.289 0.000 1.513 322 G CA -0.686 44.501 45.100 0.146 0.000 0.851 322 G HN 0.021 nan 8.290 nan 0.000 0.548 323 D N 0.598 121.073 120.400 0.126 0.000 2.346 323 D HA -0.010 4.629 4.640 -0.001 0.000 0.236 323 D C 1.333 177.522 176.300 -0.185 0.000 1.259 323 D CA -0.295 53.741 54.000 0.060 0.000 0.898 323 D CB 1.021 41.793 40.800 -0.048 0.000 1.178 323 D HN 0.492 nan 8.370 nan 0.000 0.457 324 K N 0.088 119.992 120.400 -0.827 0.000 2.097 324 K HA -0.179 4.141 4.320 -0.001 0.000 0.206 324 K C 2.089 178.424 176.600 -0.443 0.000 1.049 324 K CA 0.839 56.388 56.287 -1.230 0.000 0.933 324 K CB -0.005 31.451 32.500 -1.740 0.000 0.717 324 K HN 0.339 nan 8.250 nan 0.000 0.442 325 R N 0.274 120.583 120.500 -0.318 0.000 2.152 325 R HA -0.080 4.260 4.340 -0.001 0.000 0.232 325 R C 2.186 178.396 176.300 -0.151 0.000 1.117 325 R CA 1.610 57.599 56.100 -0.184 0.000 0.981 325 R CB -0.081 30.132 30.300 -0.146 0.000 0.870 325 R HN 0.316 nan 8.270 nan 0.000 0.451 326 S N -1.147 114.433 115.700 -0.199 0.000 2.522 326 S HA -0.056 4.413 4.470 -0.001 0.000 0.227 326 S C 1.075 175.477 174.600 -0.330 0.000 0.986 326 S CA 0.473 58.510 58.200 -0.272 0.000 0.929 326 S CB -0.007 62.985 63.200 -0.347 0.000 0.769 326 S HN 0.326 nan 8.310 nan 0.000 0.529 327 Y N 0.829 121.102 120.300 -0.046 0.000 2.483 327 Y HA 0.538 5.087 4.550 -0.001 0.000 0.258 327 Y C 1.028 176.926 175.900 -0.002 0.000 1.083 327 Y CA -0.264 57.842 58.100 0.010 0.000 1.283 327 Y CB 0.630 39.146 38.460 0.093 0.000 1.178 327 Y HN 0.338 nan 8.280 nan 0.000 0.515 328 S N -1.404 114.349 115.700 0.088 0.000 2.558 328 S HA 0.313 4.783 4.470 -0.001 0.000 0.277 328 S C -0.643 173.948 174.600 -0.014 0.000 1.143 328 S CA -0.612 57.615 58.200 0.045 0.000 0.865 328 S CB 1.218 64.461 63.200 0.072 0.000 1.102 328 S HN -0.159 nan 8.310 nan 0.000 0.454 329 S N 2.123 117.816 115.700 -0.011 0.000 2.481 329 S HA 0.336 4.806 4.470 -0.001 0.000 0.243 329 S C -0.013 174.577 174.600 -0.017 0.000 1.152 329 S CA -0.401 57.782 58.200 -0.028 0.000 1.168 329 S CB -0.438 62.748 63.200 -0.024 0.000 0.835 329 S HN 0.523 nan 8.310 nan 0.000 0.474 330 R N 0.130 120.624 120.500 -0.011 0.000 2.387 330 R HA 0.356 4.696 4.340 -0.001 0.000 0.314 330 R C 0.639 176.939 176.300 -0.000 0.000 0.958 330 R CA -0.237 55.866 56.100 0.005 0.000 0.846 330 R CB 0.877 31.192 30.300 0.026 0.000 1.147 330 R HN 0.067 nan 8.270 nan 0.000 0.447 331 T N 1.994 116.551 114.554 0.005 0.000 2.985 331 T HA 0.029 4.379 4.350 -0.001 0.000 0.266 331 T C 0.249 174.969 174.700 0.034 0.000 1.076 331 T CA 0.802 62.908 62.100 0.009 0.000 1.135 331 T CB 0.090 68.962 68.868 0.007 0.000 0.890 331 T HN 0.462 nan 8.240 nan 0.000 0.480 332 E N 1.411 121.636 120.200 0.041 0.000 2.351 332 E HA 0.262 4.612 4.350 -0.001 0.000 0.255 332 E C -2.539 174.111 176.600 0.085 0.000 1.188 332 E CA -2.374 54.061 56.400 0.057 0.000 0.940 332 E CB 0.210 29.937 29.700 0.046 0.000 1.094 332 E HN 0.072 nan 8.360 nan 0.000 0.474 333 P HA 0.116 nan 4.420 nan 0.000 0.276 333 P C -0.247 177.129 177.300 0.126 0.000 1.230 333 P CA -0.019 63.161 63.100 0.133 0.000 0.776 333 P CB 0.322 32.097 31.700 0.124 0.000 0.888 334 L N 1.675 122.995 121.223 0.161 0.000 2.543 334 L HA 0.025 4.364 4.340 -0.001 0.000 0.285 334 L C 1.320 178.255 176.870 0.109 0.000 1.236 334 L CA 0.249 55.173 54.840 0.140 0.000 0.871 334 L CB -0.273 41.891 42.059 0.175 0.000 1.121 334 L HN 0.495 nan 8.230 nan 0.000 0.501 335 S N 0.287 116.038 115.700 0.084 0.000 2.655 335 S HA 0.070 4.540 4.470 -0.001 0.000 0.265 335 S C 0.576 175.216 174.600 0.067 0.000 1.240 335 S CA -0.596 57.645 58.200 0.069 0.000 0.986 335 S CB 1.326 64.558 63.200 0.055 0.000 0.985 335 S HN 0.690 nan 8.310 nan 0.000 0.562 336 D N 0.436 120.872 120.400 0.060 0.000 2.144 336 D HA -0.075 4.564 4.640 -0.001 0.000 0.199 336 D C 1.648 177.973 176.300 0.042 0.000 0.984 336 D CA 1.430 55.464 54.000 0.057 0.000 0.834 336 D CB -0.078 40.756 40.800 0.057 0.000 0.955 336 D HN 0.683 nan 8.370 nan 0.000 0.465 337 E N 0.348 120.572 120.200 0.040 0.000 2.106 337 E HA -0.121 4.229 4.350 -0.001 0.000 0.192 337 E C 1.891 178.511 176.600 0.033 0.000 0.984 337 E CA 0.820 57.240 56.400 0.034 0.000 0.806 337 E CB -0.121 29.599 29.700 0.034 0.000 0.750 337 E HN 0.416 nan 8.360 nan 0.000 0.458 338 E N 0.104 120.329 120.200 0.042 0.000 2.208 338 E HA -0.080 4.269 4.350 -0.001 0.000 0.193 338 E C 1.903 178.518 176.600 0.026 0.000 0.988 338 E CA 0.467 56.895 56.400 0.047 0.000 0.828 338 E CB -0.003 29.737 29.700 0.067 0.000 0.763 338 E HN 0.245 nan 8.360 nan 0.000 0.478 339 L N 1.018 122.248 121.223 0.013 0.000 2.072 339 L HA -0.147 4.193 4.340 -0.001 0.000 0.205 339 L C 1.832 178.668 176.870 -0.056 0.000 1.079 339 L CA 0.780 55.597 54.840 -0.038 0.000 0.752 339 L CB -0.315 41.722 42.059 -0.036 0.000 0.906 339 L HN 0.071 nan 8.230 nan 0.000 0.436 340 D N 0.706 121.092 120.400 -0.023 0.000 2.144 340 D HA -0.161 4.479 4.640 -0.001 0.000 0.199 340 D C 2.089 178.384 176.300 -0.009 0.000 0.984 340 D CA 1.217 55.206 54.000 -0.018 0.000 0.834 340 D CB -0.010 40.792 40.800 0.003 0.000 0.955 340 D HN 0.352 nan 8.370 nan 0.000 0.465 341 K N 0.483 120.887 120.400 0.007 0.000 2.057 341 K HA -0.009 4.310 4.320 -0.001 0.000 0.206 341 K C 2.306 178.921 176.600 0.025 0.000 1.050 341 K CA 0.620 56.922 56.287 0.024 0.000 0.935 341 K CB -0.019 32.506 32.500 0.042 0.000 0.715 341 K HN 0.132 nan 8.250 nan 0.000 0.439 342 I N 1.392 121.962 120.570 -0.001 0.000 2.226 342 I HA -0.276 3.894 4.170 -0.001 0.000 0.245 342 I C 2.546 178.637 176.117 -0.043 0.000 1.100 342 I CA 1.068 62.349 61.300 -0.031 0.000 1.374 342 I CB -0.392 37.498 38.000 -0.184 0.000 1.057 342 I HN 0.198 nan 8.210 nan 0.000 0.413 343 A N 1.724 124.503 122.820 -0.069 0.000 1.902 343 A HA -0.263 4.057 4.320 -0.001 0.000 0.217 343 A C 2.377 179.946 177.584 -0.025 0.000 1.181 343 A CA 2.169 54.166 52.037 -0.068 0.000 0.623 343 A CB -0.618 18.331 19.000 -0.086 0.000 0.818 343 A HN 0.534 nan 8.150 nan 0.000 0.443 344 K N -0.379 120.018 120.400 -0.006 0.000 2.057 344 K HA -0.206 4.114 4.320 -0.001 0.000 0.207 344 K C 1.886 178.500 176.600 0.023 0.000 1.049 344 K CA 1.715 58.009 56.287 0.011 0.000 0.931 344 K CB -0.447 32.063 32.500 0.017 0.000 0.714 344 K HN 0.547 nan 8.250 nan 0.000 0.440 345 Q N 0.516 120.339 119.800 0.038 0.000 2.226 345 Q HA -0.021 4.319 4.340 -0.001 0.000 0.204 345 Q C 1.890 177.923 176.000 0.056 0.000 0.975 345 Q CA 1.242 57.081 55.803 0.060 0.000 0.866 345 Q CB -0.024 28.780 28.738 0.110 0.000 0.915 345 Q HN 0.405 nan 8.270 nan 0.000 0.440 346 L N -0.305 120.941 121.223 0.039 0.000 2.640 346 L HA 0.137 4.477 4.340 -0.001 0.000 0.230 346 L C 0.060 176.914 176.870 -0.027 0.000 1.123 346 L CA -0.278 54.575 54.840 0.022 0.000 0.900 346 L CB 0.214 42.288 42.059 0.025 0.000 1.146 346 L HN 0.203 nan 8.230 nan 0.000 0.484 347 N N 1.025 119.710 118.700 -0.025 0.000 2.776 347 N HA -0.146 4.594 4.740 -0.001 0.000 0.249 347 N C -0.521 174.933 175.510 -0.092 0.000 1.111 347 N CA 0.812 53.833 53.050 -0.049 0.000 0.711 347 N CB -1.158 37.279 38.487 -0.083 0.000 1.065 347 N HN 0.284 nan 8.380 nan 0.000 0.556 348 L N -1.162 120.026 121.223 -0.058 0.000 2.271 348 L HA 0.785 5.125 4.340 -0.001 0.000 0.265 348 L C 1.488 178.340 176.870 -0.031 0.000 1.013 348 L CA -0.718 54.088 54.840 -0.057 0.000 0.820 348 L CB 1.519 43.541 42.059 -0.061 0.000 1.352 348 L HN 0.051 nan 8.230 nan 0.000 0.443 349 G N -0.660 108.128 108.800 -0.019 0.000 2.583 349 G HA2 0.285 4.244 3.960 -0.001 0.000 0.280 349 G HA3 0.285 4.244 3.960 -0.001 0.000 0.280 349 G C 0.392 175.244 174.900 -0.081 0.000 1.376 349 G CA -0.372 44.721 45.100 -0.010 0.000 1.043 349 G HN 0.445 nan 8.290 nan 0.000 0.538 350 R N -1.450 119.000 120.500 -0.084 0.000 2.200 350 R HA 0.081 4.420 4.340 -0.001 0.000 0.208 350 R C -0.507 175.438 176.300 -0.591 0.000 1.033 350 R CA 0.257 56.182 56.100 -0.292 0.000 1.000 350 R CB -0.020 30.176 30.300 -0.173 0.000 0.906 350 R HN 0.490 nan 8.270 nan 0.000 0.462 351 W N 0.159 121.434 121.300 -0.041 0.000 2.915 351 W HA 0.343 5.002 4.660 -0.001 0.000 0.337 351 W C -0.835 175.716 176.519 0.054 0.000 1.102 351 W CA -0.747 56.610 57.345 0.019 0.000 1.224 351 W CB 1.222 30.708 29.460 0.043 0.000 1.416 351 W HN -0.177 nan 8.180 nan 0.000 0.503 352 N N 2.342 121.237 118.700 0.325 0.000 2.461 352 N HA 0.348 5.088 4.740 -0.001 0.000 0.284 352 N C -1.718 173.966 175.510 0.289 0.000 1.049 352 N CA -0.649 52.529 53.050 0.212 0.000 0.889 352 N CB 1.467 40.041 38.487 0.146 0.000 1.365 352 N HN 0.275 nan 8.380 nan 0.000 0.499 353 F N 3.611 123.572 119.950 0.017 0.000 2.371 353 F HA 0.422 4.948 4.527 -0.001 0.000 0.363 353 F C -1.178 174.565 175.800 -0.095 0.000 1.122 353 F CA -0.652 57.382 58.000 0.056 0.000 1.129 353 F CB 0.139 39.163 39.000 0.039 0.000 1.173 353 F HN 0.398 nan 8.300 nan 0.000 0.489 354 Y N 4.487 124.440 120.300 -0.579 0.000 2.331 354 Y HA 0.675 5.224 4.550 -0.001 0.000 0.338 354 Y C 0.600 175.974 175.900 -0.877 0.000 0.992 354 Y CA -0.646 57.113 58.100 -0.569 0.000 1.121 354 Y CB 1.561 39.817 38.460 -0.339 0.000 1.184 354 Y HN 0.747 nan 8.280 nan 0.000 0.469 355 G N 0.433 108.669 108.800 -0.940 0.000 2.788 355 G HA2 0.854 4.813 3.960 -0.001 0.000 0.293 355 G HA3 0.854 4.813 3.960 -0.001 0.000 0.293 355 G C -1.861 172.418 174.900 -1.036 0.000 1.392 355 G CA -0.639 43.893 45.100 -0.948 0.000 0.810 355 G HN 0.805 nan 8.290 nan 0.000 0.508 356 A N -0.999 121.511 122.820 -0.517 0.000 2.604 356 A HA 0.761 5.080 4.320 -0.001 0.000 0.295 356 A C -1.580 175.922 177.584 -0.137 0.000 1.067 356 A CA -0.533 51.277 52.037 -0.378 0.000 0.683 356 A CB 1.153 19.964 19.000 -0.314 0.000 1.281 356 A HN 0.880 nan 8.150 nan 0.000 0.407 357 L N 0.921 121.939 121.223 -0.341 0.000 2.346 357 L HA 0.704 5.044 4.340 -0.001 0.000 0.274 357 L C -1.253 175.368 176.870 -0.415 0.000 1.007 357 L CA -0.607 54.143 54.840 -0.150 0.000 0.818 357 L CB 1.571 43.596 42.059 -0.056 0.000 1.284 357 L HN 0.738 nan 8.230 nan 0.000 0.424 358 Y N 0.499 120.879 120.300 0.133 0.000 2.524 358 Y HA 0.817 5.366 4.550 -0.001 0.000 0.344 358 Y C 0.760 176.694 175.900 0.057 0.000 1.012 358 Y CA -0.362 57.816 58.100 0.131 0.000 1.068 358 Y CB 2.268 40.808 38.460 0.133 0.000 1.249 358 Y HN 0.788 nan 8.280 nan 0.000 0.468 359 G N 1.570 110.460 108.800 0.149 0.000 2.631 359 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.504 359 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.504 359 G C -3.214 171.708 174.900 0.036 0.000 1.306 359 G CA -1.570 43.570 45.100 0.068 0.000 0.897 359 G HN 0.427 nan 8.290 nan 0.000 0.520 360 P HA 0.129 nan 4.420 nan 0.000 0.266 360 P C 0.966 178.274 177.300 0.014 0.000 1.193 360 P CA 0.189 63.297 63.100 0.013 0.000 0.770 360 P CB 0.694 32.401 31.700 0.011 0.000 0.836 361 E N 4.866 125.069 120.200 0.005 0.000 2.070 361 E HA -0.197 4.153 4.350 -0.001 0.000 0.197 361 E C -0.864 175.747 176.600 0.018 0.000 1.004 361 E CA 2.297 58.698 56.400 0.002 0.000 0.805 361 E CB -1.745 27.953 29.700 -0.003 0.000 0.744 361 E HN 0.356 nan 8.360 nan 0.000 0.451 362 P HA -0.138 nan 4.420 nan 0.000 0.216 362 P C 1.811 179.132 177.300 0.036 0.000 1.150 362 P CA 1.291 64.406 63.100 0.026 0.000 0.837 362 P CB -0.196 31.516 31.700 0.019 0.000 0.786 363 I N -0.811 119.782 120.570 0.038 0.000 2.333 363 I HA -0.130 4.039 4.170 -0.001 0.000 0.246 363 I C 2.885 179.045 176.117 0.071 0.000 1.106 363 I CA 1.009 62.341 61.300 0.052 0.000 1.411 363 I CB -0.395 37.637 38.000 0.052 0.000 1.082 363 I HN -0.204 nan 8.210 nan 0.000 0.420 364 R N 0.395 120.932 120.500 0.062 0.000 2.094 364 R HA -0.229 4.110 4.340 -0.001 0.000 0.239 364 R C 2.443 178.812 176.300 0.115 0.000 1.137 364 R CA 1.709 57.850 56.100 0.069 0.000 0.943 364 R CB -0.496 29.802 30.300 -0.004 0.000 0.850 364 R HN 0.299 nan 8.270 nan 0.000 0.433 365 R N 0.763 121.320 120.500 0.094 0.000 2.115 365 R HA -0.181 4.159 4.340 -0.001 0.000 0.239 365 R C 2.099 178.473 176.300 0.123 0.000 1.133 365 R CA 2.176 58.350 56.100 0.124 0.000 0.935 365 R CB -0.406 29.940 30.300 0.077 0.000 0.853 365 R HN 0.093 nan 8.270 nan 0.000 0.433 366 V N 1.480 121.442 119.914 0.080 0.000 2.407 366 V HA -0.246 3.873 4.120 -0.001 0.000 0.248 366 V C 2.384 178.518 176.094 0.066 0.000 1.055 366 V CA 1.712 64.046 62.300 0.056 0.000 1.049 366 V CB -0.429 31.420 31.823 0.043 0.000 0.662 366 V HN 0.350 nan 8.190 nan 0.000 0.455 367 L N -1.239 120.050 121.223 0.111 0.000 2.072 367 L HA -0.150 4.189 4.340 -0.001 0.000 0.205 367 L C 2.406 179.367 176.870 0.152 0.000 1.079 367 L CA 1.759 56.678 54.840 0.131 0.000 0.752 367 L CB -0.562 41.597 42.059 0.167 0.000 0.906 367 L HN 0.529 nan 8.230 nan 0.000 0.436 368 W N 1.882 123.161 121.300 -0.036 0.000 2.363 368 W HA -0.196 4.464 4.660 -0.001 0.000 0.296 368 W C 1.956 178.390 176.519 -0.141 0.000 1.212 368 W CA 1.479 58.758 57.345 -0.109 0.000 1.260 368 W CB 0.139 29.544 29.460 -0.092 0.000 1.131 368 W HN 0.249 nan 8.180 nan 0.000 0.530 369 E N -0.373 119.716 120.200 -0.184 0.000 2.106 369 E HA -0.173 4.177 4.350 -0.001 0.000 0.192 369 E C 2.108 178.553 176.600 -0.259 0.000 0.984 369 E CA 1.989 58.215 56.400 -0.290 0.000 0.806 369 E CB -0.361 29.261 29.700 -0.129 0.000 0.750 369 E HN 0.094 nan 8.360 nan 0.000 0.458 370 T N 1.180 115.651 114.554 -0.139 0.000 2.701 370 T HA -0.116 4.234 4.350 -0.001 0.000 0.263 370 T C 1.970 176.604 174.700 -0.110 0.000 1.040 370 T CA 0.940 62.985 62.100 -0.090 0.000 1.147 370 T CB -0.194 68.664 68.868 -0.017 0.000 0.865 370 T HN 0.086 nan 8.240 nan 0.000 0.426 371 I N 0.772 121.275 120.570 -0.112 0.000 2.127 371 I HA -0.220 3.950 4.170 -0.001 0.000 0.241 371 I C 2.640 178.648 176.117 -0.183 0.000 1.075 371 I CA 1.462 62.735 61.300 -0.045 0.000 1.334 371 I CB -0.359 37.655 38.000 0.025 0.000 1.040 371 I HN 0.172 nan 8.210 nan 0.000 0.405 372 K N 0.331 120.288 120.400 -0.739 0.000 2.059 372 K HA -0.292 4.028 4.320 -0.001 0.000 0.212 372 K C 1.869 178.288 176.600 -0.303 0.000 1.050 372 K CA 2.261 57.991 56.287 -0.929 0.000 0.927 372 K CB -0.354 31.280 32.500 -1.444 0.000 0.714 372 K HN 0.247 nan 8.250 nan 0.000 0.447 373 D N -0.022 120.220 120.400 -0.264 0.000 2.149 373 D HA -0.128 4.511 4.640 -0.001 0.000 0.198 373 D C 1.631 177.893 176.300 -0.064 0.000 0.990 373 D CA 1.385 55.304 54.000 -0.134 0.000 0.839 373 D CB 0.041 40.758 40.800 -0.139 0.000 0.948 373 D HN 0.253 nan 8.370 nan 0.000 0.460 374 A N -1.029 121.757 122.820 -0.058 0.000 1.930 374 A HA -0.012 4.308 4.320 -0.001 0.000 0.215 374 A C 1.981 179.478 177.584 -0.145 0.000 1.176 374 A CA 0.573 52.541 52.037 -0.115 0.000 0.632 374 A CB -0.840 18.066 19.000 -0.157 0.000 0.819 374 A HN 0.276 nan 8.150 nan 0.000 0.445 375 F N 0.500 120.432 119.950 -0.031 0.000 2.456 375 F HA -0.028 4.499 4.527 -0.001 0.000 0.298 375 F C 2.432 178.248 175.800 0.027 0.000 1.104 375 F CA 1.157 59.163 58.000 0.011 0.000 1.435 375 F CB 0.050 39.115 39.000 0.108 0.000 1.078 375 F HN 0.106 nan 8.300 nan 0.000 0.546 376 S N -0.160 115.668 115.700 0.213 0.000 2.507 376 S HA -0.101 4.369 4.470 -0.001 0.000 0.235 376 S C 2.203 176.820 174.600 0.028 0.000 0.988 376 S CA 0.722 58.998 58.200 0.127 0.000 0.944 376 S CB -0.389 62.867 63.200 0.094 0.000 0.762 376 S HN 0.359 nan 8.310 nan 0.000 0.526 377 A N 0.818 123.628 122.820 -0.017 0.000 2.172 377 A HA 0.176 4.495 4.320 -0.001 0.000 0.216 377 A C 0.777 178.335 177.584 -0.042 0.000 1.154 377 A CA 0.442 52.452 52.037 -0.046 0.000 0.701 377 A CB -0.352 18.598 19.000 -0.083 0.000 0.789 377 A HN 0.473 nan 8.150 nan 0.000 0.465 378 I N 1.825 122.378 120.570 -0.029 0.000 2.304 378 I HA 0.227 4.397 4.170 -0.001 0.000 0.291 378 I C -2.408 173.699 176.117 -0.016 0.000 1.018 378 I CA -2.314 58.973 61.300 -0.022 0.000 1.260 378 I CB 1.397 39.396 38.000 -0.002 0.000 1.390 378 I HN 0.003 nan 8.210 nan 0.000 0.475 379 P HA 0.107 nan 4.420 nan 0.000 0.268 379 P C 0.841 178.128 177.300 -0.021 0.000 1.204 379 P CA 0.398 63.488 63.100 -0.017 0.000 0.768 379 P CB 0.843 32.537 31.700 -0.011 0.000 0.842 380 G N 1.335 110.115 108.800 -0.033 0.000 2.179 380 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.260 380 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.260 380 G C 0.153 175.002 174.900 -0.085 0.000 0.977 380 G CA 0.021 45.095 45.100 -0.042 0.000 0.641 380 G HN 0.700 nan 8.290 nan 0.000 0.533 381 V N 0.712 120.550 119.914 -0.128 0.000 2.694 381 V HA 0.495 4.615 4.120 -0.001 0.000 0.306 381 V C 0.496 176.324 176.094 -0.444 0.000 1.054 381 V CA 0.690 62.830 62.300 -0.266 0.000 1.161 381 V CB 0.830 32.485 31.823 -0.280 0.000 0.916 381 V HN 0.347 nan 8.190 nan 0.000 0.490 382 K N 5.686 125.794 120.400 -0.486 0.000 2.375 382 K HA 0.595 4.915 4.320 -0.001 0.000 0.249 382 K C -1.676 174.507 176.600 -0.695 0.000 0.942 382 K CA -0.397 55.569 56.287 -0.536 0.000 0.806 382 K CB 2.199 34.533 32.500 -0.277 0.000 1.227 382 K HN 0.560 nan 8.250 nan 0.000 0.430 383 F N 1.961 121.670 119.950 -0.401 0.000 2.493 383 F HA 0.431 4.957 4.527 -0.001 0.000 0.329 383 F C -0.727 174.762 175.800 -0.517 0.000 1.126 383 F CA -0.675 57.169 58.000 -0.259 0.000 0.937 383 F CB 1.009 39.945 39.000 -0.106 0.000 1.146 383 F HN 0.353 nan 8.300 nan 0.000 0.442 384 Y N 2.278 122.662 120.300 0.140 0.000 2.512 384 Y HA 0.663 5.212 4.550 -0.001 0.000 0.348 384 Y C -0.834 175.115 175.900 0.082 0.000 0.990 384 Y CA -1.270 56.844 58.100 0.024 0.000 1.033 384 Y CB 1.739 40.218 38.460 0.032 0.000 1.259 384 Y HN 0.305 nan 8.280 nan 0.000 0.461 385 F N 1.760 121.809 119.950 0.164 0.000 2.541 385 F HA 0.464 4.990 4.527 -0.001 0.000 0.331 385 F C -1.533 174.302 175.800 0.060 0.000 1.057 385 F CA -3.201 54.819 58.000 0.032 0.000 0.975 385 F CB 0.832 39.794 39.000 -0.063 0.000 1.246 385 F HN 0.234 nan 8.300 nan 0.000 0.484 386 P HA -0.197 nan 4.420 nan 0.000 0.216 386 P C 1.287 178.655 177.300 0.114 0.000 1.157 386 P CA 1.744 64.915 63.100 0.118 0.000 0.880 386 P CB 0.328 32.063 31.700 0.058 0.000 0.791 387 E N -0.380 119.896 120.200 0.127 0.000 2.171 387 E HA -0.174 4.175 4.350 -0.001 0.000 0.197 387 E C 1.330 177.997 176.600 0.112 0.000 0.997 387 E CA 1.117 57.582 56.400 0.107 0.000 0.810 387 E CB -1.005 28.764 29.700 0.114 0.000 0.738 387 E HN 0.377 nan 8.360 nan 0.000 0.467 388 D N 0.139 120.631 120.400 0.153 0.000 2.349 388 D HA -0.025 4.614 4.640 -0.001 0.000 0.224 388 D C 0.752 177.144 176.300 0.154 0.000 1.029 388 D CA 0.489 54.594 54.000 0.174 0.000 0.879 388 D CB 0.109 41.067 40.800 0.264 0.000 0.906 388 D HN 0.226 nan 8.370 nan 0.000 0.528 389 T N -2.119 112.485 114.554 0.083 0.000 2.942 389 T HA 0.583 4.932 4.350 -0.001 0.000 0.289 389 T C -2.821 171.885 174.700 0.010 0.000 1.044 389 T CA -2.094 60.002 62.100 -0.005 0.000 1.023 389 T CB 2.234 71.068 68.868 -0.057 0.000 1.123 389 T HN -0.327 nan 8.240 nan 0.000 0.512 390 P HA 0.223 nan 4.420 nan 0.000 0.271 390 P C 0.921 178.229 177.300 0.013 0.000 1.233 390 P CA -0.361 62.743 63.100 0.006 0.000 0.789 390 P CB 0.471 32.171 31.700 0.001 0.000 0.951 391 E N 1.047 121.257 120.200 0.017 0.000 2.085 391 E HA -0.236 4.113 4.350 -0.001 0.000 0.194 391 E C 1.143 177.754 176.600 0.018 0.000 0.994 391 E CA 1.401 57.813 56.400 0.018 0.000 0.801 391 E CB -0.175 29.536 29.700 0.018 0.000 0.743 391 E HN 0.485 nan 8.360 nan 0.000 0.453 392 N N 0.566 119.277 118.700 0.018 0.000 2.398 392 N HA -0.078 4.661 4.740 -0.001 0.000 0.188 392 N C 0.133 175.656 175.510 0.022 0.000 1.122 392 N CA 0.275 53.338 53.050 0.021 0.000 0.866 392 N CB -0.192 38.310 38.487 0.025 0.000 0.970 392 N HN -0.088 nan 8.380 nan 0.000 0.462 393 S N -0.799 114.912 115.700 0.018 0.000 2.566 393 S HA 0.086 4.556 4.470 -0.001 0.000 0.280 393 S C 1.417 176.035 174.600 0.029 0.000 1.343 393 S CA -0.585 57.628 58.200 0.022 0.000 1.036 393 S CB 1.107 64.314 63.200 0.011 0.000 0.866 393 S HN -0.062 nan 8.310 nan 0.000 0.526 394 V N 2.525 122.466 119.914 0.045 0.000 2.358 394 V HA -0.109 4.011 4.120 -0.001 0.000 0.246 394 V C 2.357 178.477 176.094 0.043 0.000 1.047 394 V CA 1.707 64.010 62.300 0.003 0.000 1.035 394 V CB -1.025 30.771 31.823 -0.045 0.000 0.658 394 V HN 0.863 nan 8.190 nan 0.000 0.452 395 L N 0.437 121.790 121.223 0.216 0.000 2.043 395 L HA -0.205 4.135 4.340 -0.001 0.000 0.212 395 L C 2.559 179.483 176.870 0.090 0.000 1.075 395 L CA 2.004 56.990 54.840 0.243 0.000 0.752 395 L CB -0.692 41.473 42.059 0.177 0.000 0.891 395 L HN 0.217 nan 8.230 nan 0.000 0.432 396 R N -1.483 119.048 120.500 0.052 0.000 2.120 396 R HA -0.104 4.235 4.340 -0.001 0.000 0.234 396 R C 2.071 178.368 176.300 -0.005 0.000 1.123 396 R CA 1.411 57.525 56.100 0.024 0.000 0.975 396 R CB -0.444 29.869 30.300 0.021 0.000 0.866 396 R HN 0.333 nan 8.270 nan 0.000 0.446 397 V N 0.911 120.810 119.914 -0.025 0.000 2.283 397 V HA -0.207 3.913 4.120 -0.001 0.000 0.243 397 V C 2.205 178.245 176.094 -0.090 0.000 1.039 397 V CA 1.631 63.893 62.300 -0.064 0.000 1.016 397 V CB -0.469 31.307 31.823 -0.077 0.000 0.650 397 V HN 0.290 nan 8.190 nan 0.000 0.449 398 R N 0.245 120.679 120.500 -0.110 0.000 2.193 398 R HA -0.205 4.135 4.340 -0.001 0.000 0.229 398 R C 2.004 178.283 176.300 -0.035 0.000 1.110 398 R CA 1.652 57.674 56.100 -0.130 0.000 0.988 398 R CB -0.536 29.611 30.300 -0.254 0.000 0.871 398 R HN 0.640 nan 8.270 nan 0.000 0.458 399 D N 1.146 121.551 120.400 0.008 0.000 2.149 399 D HA -0.164 4.475 4.640 -0.001 0.000 0.198 399 D C 1.478 177.818 176.300 0.066 0.000 0.990 399 D CA 1.472 55.513 54.000 0.069 0.000 0.839 399 D CB 0.215 41.043 40.800 0.046 0.000 0.948 399 D HN 0.139 nan 8.370 nan 0.000 0.460 400 K N -0.685 119.690 120.400 -0.042 0.000 2.031 400 K HA -0.052 4.268 4.320 -0.001 0.000 0.205 400 K C 2.257 178.756 176.600 -0.167 0.000 1.049 400 K CA 1.541 57.745 56.287 -0.138 0.000 0.939 400 K CB -0.292 32.115 32.500 -0.155 0.000 0.717 400 K HN 0.099 nan 8.250 nan 0.000 0.438 401 T N 1.857 116.339 114.554 -0.120 0.000 2.665 401 T HA -0.167 4.183 4.350 -0.001 0.000 0.268 401 T C 1.679 176.377 174.700 -0.002 0.000 1.035 401 T CA 1.531 63.579 62.100 -0.088 0.000 1.151 401 T CB -0.162 68.650 68.868 -0.094 0.000 0.862 401 T HN 0.187 nan 8.240 nan 0.000 0.438 402 M N 1.668 121.311 119.600 0.072 0.000 2.682 402 M HA 0.028 4.508 4.480 -0.001 0.000 0.235 402 M C 1.676 178.068 176.300 0.154 0.000 1.114 402 M CA 0.682 56.115 55.300 0.223 0.000 1.053 402 M CB -0.146 32.639 32.600 0.310 0.000 1.599 402 M HN 0.427 nan 8.290 nan 0.000 0.520 403 Q N -1.250 118.413 119.800 -0.229 0.000 2.171 403 Q HA 0.354 4.694 4.340 -0.001 0.000 0.218 403 Q C 0.823 176.484 176.000 -0.564 0.000 0.822 403 Q CA 0.397 55.776 55.803 -0.707 0.000 0.987 403 Q CB 0.775 28.608 28.738 -1.507 0.000 1.144 403 Q HN 0.404 nan 8.270 nan 0.000 0.494 404 G N 1.702 110.350 108.800 -0.253 0.000 2.132 404 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.234 404 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.234 404 G C -0.109 174.641 174.900 -0.251 0.000 0.989 404 G CA -0.050 44.941 45.100 -0.183 0.000 0.676 404 G HN 0.383 nan 8.290 nan 0.000 0.522 405 I N 2.490 122.856 120.570 -0.341 0.000 2.336 405 I HA 0.337 4.506 4.170 -0.001 0.000 0.292 405 I C -1.758 174.094 176.117 -0.442 0.000 0.991 405 I CA -2.500 58.523 61.300 -0.463 0.000 1.227 405 I CB 1.802 39.548 38.000 -0.424 0.000 1.366 405 I HN -0.088 nan 8.210 nan 0.000 0.466 406 P HA 0.206 nan 4.420 nan 0.000 0.280 406 P C -0.662 176.319 177.300 -0.532 0.000 1.244 406 P CA -0.071 62.715 63.100 -0.523 0.000 0.784 406 P CB 1.219 32.578 31.700 -0.569 0.000 0.913 407 T N -0.280 113.953 114.554 -0.534 0.000 2.804 407 T HA 0.523 4.873 4.350 -0.001 0.000 0.290 407 T C -0.344 173.872 174.700 -0.808 0.000 1.099 407 T CA -0.377 61.434 62.100 -0.480 0.000 1.011 407 T CB 1.181 69.908 68.868 -0.235 0.000 1.291 407 T HN 0.257 nan 8.240 nan 0.000 0.523 408 Y N -1.157 119.138 120.300 -0.008 0.000 2.610 408 Y HA 0.280 4.830 4.550 -0.001 0.000 0.254 408 Y C 1.228 177.071 175.900 -0.095 0.000 1.110 408 Y CA -0.723 57.341 58.100 -0.060 0.000 1.238 408 Y CB -0.063 38.387 38.460 -0.017 0.000 1.322 408 Y HN 0.614 nan 8.280 nan 0.000 0.547 409 D N 1.060 121.463 120.400 0.005 0.000 2.123 409 D HA -0.184 4.456 4.640 -0.001 0.000 0.196 409 D C 1.497 177.781 176.300 -0.028 0.000 0.992 409 D CA 1.703 55.701 54.000 -0.003 0.000 0.833 409 D CB 0.059 40.849 40.800 -0.015 0.000 0.954 409 D HN 0.389 nan 8.370 nan 0.000 0.455 410 E N 0.113 120.282 120.200 -0.052 0.000 2.472 410 E HA -0.074 4.275 4.350 -0.001 0.000 0.200 410 E C 1.960 178.436 176.600 -0.207 0.000 1.046 410 E CA 0.009 56.395 56.400 -0.024 0.000 0.871 410 E CB 0.006 29.727 29.700 0.034 0.000 0.806 410 E HN 0.426 nan 8.360 nan 0.000 0.533 411 L N 0.969 122.040 121.223 -0.253 0.000 2.131 411 L HA -0.180 4.160 4.340 -0.001 0.000 0.210 411 L C 2.390 179.016 176.870 -0.408 0.000 1.092 411 L CA 0.931 55.526 54.840 -0.407 0.000 0.759 411 L CB -0.124 41.749 42.059 -0.310 0.000 0.903 411 L HN -0.006 nan 8.230 nan 0.000 0.435 412 K N 0.181 120.462 120.400 -0.199 0.000 2.281 412 K HA -0.208 4.111 4.320 -0.001 0.000 0.203 412 K C 1.817 178.418 176.600 0.003 0.000 1.046 412 K CA 1.384 57.626 56.287 -0.075 0.000 0.938 412 K CB -0.318 32.191 32.500 0.016 0.000 0.737 412 K HN 0.645 nan 8.250 nan 0.000 0.458 413 W N -0.028 121.299 121.300 0.044 0.000 2.595 413 W HA -0.041 4.619 4.660 -0.001 0.000 0.257 413 W C 1.246 177.813 176.519 0.080 0.000 1.267 413 W CA 0.091 57.472 57.345 0.061 0.000 1.300 413 W CB -0.814 28.630 29.460 -0.027 0.000 1.120 413 W HN -0.125 nan 8.180 nan 0.000 0.618 414 I N 1.786 122.157 120.570 -0.332 0.000 2.454 414 I HA -0.247 3.923 4.170 -0.001 0.000 0.254 414 I C 1.265 177.401 176.117 0.032 0.000 1.156 414 I CA 1.451 62.617 61.300 -0.224 0.000 1.433 414 I CB -0.608 37.135 38.000 -0.428 0.000 1.082 414 I HN -0.186 nan 8.210 nan 0.000 0.432 415 D N 0.154 120.584 120.400 0.049 0.000 2.323 415 D HA -0.124 4.516 4.640 -0.001 0.000 0.239 415 D C 1.502 177.911 176.300 0.182 0.000 1.129 415 D CA 0.120 54.164 54.000 0.074 0.000 0.865 415 D CB -0.224 40.594 40.800 0.031 0.000 0.913 415 D HN 0.504 nan 8.370 nan 0.000 0.517 416 W N 0.849 122.201 121.300 0.088 0.000 2.342 416 W HA -0.110 4.549 4.660 -0.001 0.000 0.297 416 W C -0.202 176.360 176.519 0.071 0.000 1.213 416 W CA 0.831 58.243 57.345 0.111 0.000 1.251 416 W CB 0.292 29.842 29.460 0.149 0.000 1.136 416 W HN -0.040 nan 8.180 nan 0.000 0.526 417 L N -0.298 120.978 121.223 0.088 0.000 2.319 417 L HA 0.230 4.569 4.340 -0.001 0.000 0.267 417 L C -1.035 175.809 176.870 -0.043 0.000 1.011 417 L CA -2.281 52.534 54.840 -0.041 0.000 0.818 417 L CB 1.026 43.104 42.059 0.032 0.000 1.316 417 L HN -0.407 nan 8.230 nan 0.000 0.432 418 P HA -0.218 nan 4.420 nan 0.000 0.219 418 P C 0.068 177.334 177.300 -0.058 0.000 1.159 418 P CA 1.614 64.681 63.100 -0.055 0.000 0.944 418 P CB 0.115 31.789 31.700 -0.044 0.000 0.792 419 N N -0.707 117.952 118.700 -0.069 0.000 3.040 419 N HA 0.192 4.931 4.740 -0.001 0.000 0.305 419 N C 0.134 175.532 175.510 -0.186 0.000 1.611 419 N CA -0.061 52.927 53.050 -0.103 0.000 1.049 419 N CB 0.267 38.708 38.487 -0.077 0.000 1.342 419 N HN 0.020 nan 8.380 nan 0.000 0.497 420 G N 0.406 109.114 108.800 -0.153 0.000 2.225 420 G HA2 0.361 4.321 3.960 -0.001 0.000 0.245 420 G HA3 0.361 4.321 3.960 -0.001 0.000 0.245 420 G C -0.190 174.526 174.900 -0.307 0.000 1.249 420 G CA -0.084 44.909 45.100 -0.179 0.000 0.919 420 G HN 0.375 nan 8.290 nan 0.000 0.486 421 A N 1.601 124.108 122.820 -0.522 0.000 2.454 421 A HA 0.933 5.253 4.320 -0.001 0.000 0.302 421 A C -0.032 177.405 177.584 -0.246 0.000 1.079 421 A CA -0.101 51.653 52.037 -0.472 0.000 0.731 421 A CB 1.863 20.254 19.000 -1.014 0.000 1.299 421 A HN 1.930 nan 8.150 nan 0.000 0.413 422 A N 0.531 123.456 122.820 0.175 0.000 2.355 422 A HA 0.803 5.123 4.320 -0.001 0.000 0.324 422 A C -1.196 176.368 177.584 -0.033 0.000 1.117 422 A CA -0.466 51.549 52.037 -0.037 0.000 0.785 422 A CB 1.198 19.989 19.000 -0.348 0.000 1.254 422 A HN 1.827 nan 8.150 nan 0.000 0.453 423 L N 1.460 122.655 121.223 -0.046 0.000 2.436 423 L HA 0.787 5.126 4.340 -0.001 0.000 0.268 423 L C -1.905 174.839 176.870 -0.210 0.000 0.974 423 L CA -0.323 54.473 54.840 -0.073 0.000 0.826 423 L CB 1.298 43.364 42.059 0.012 0.000 1.291 423 L HN 0.534 nan 8.230 nan 0.000 0.406 424 F N 5.026 124.957 119.950 -0.031 0.000 2.408 424 F HA 0.439 4.966 4.527 -0.001 0.000 0.344 424 F C -0.397 175.473 175.800 0.116 0.000 1.112 424 F CA -0.265 57.716 58.000 -0.031 0.000 1.096 424 F CB 1.386 40.253 39.000 -0.221 0.000 1.129 424 F HN 0.364 nan 8.300 nan 0.000 0.486 425 F N 2.711 122.737 119.950 0.126 0.000 2.361 425 F HA 0.482 5.009 4.527 -0.001 0.000 0.364 425 F C -0.193 175.649 175.800 0.070 0.000 1.117 425 F CA -0.716 57.307 58.000 0.037 0.000 1.071 425 F CB 0.900 39.844 39.000 -0.092 0.000 1.188 425 F HN 0.289 nan 8.300 nan 0.000 0.464 426 S N 8.172 123.630 115.700 -0.402 0.000 2.080 426 S HA 0.306 4.775 4.470 -0.001 0.000 0.162 426 S C -2.720 171.721 174.600 -0.264 0.000 1.618 426 S CA -1.071 57.009 58.200 -0.200 0.000 1.200 426 S CB 0.151 63.489 63.200 0.230 0.000 1.135 426 S HN 0.454 nan 8.310 nan 0.000 0.455 427 P HA 0.381 nan 4.420 nan 0.000 0.276 427 P C -0.689 176.538 177.300 -0.121 0.000 1.252 427 P CA -0.525 62.407 63.100 -0.279 0.000 0.802 427 P CB 0.821 32.334 31.700 -0.311 0.000 1.035 428 I N -0.011 120.527 120.570 -0.053 0.000 2.562 428 I HA 0.600 4.770 4.170 -0.001 0.000 0.301 428 I C 0.508 176.619 176.117 -0.009 0.000 1.003 428 I CA -1.106 60.172 61.300 -0.036 0.000 1.127 428 I CB 1.135 39.114 38.000 -0.035 0.000 1.304 428 I HN 0.425 nan 8.210 nan 0.000 0.446 429 A N 5.412 128.241 122.820 0.015 0.000 2.386 429 A HA 0.653 4.973 4.320 -0.001 0.000 0.308 429 A C -0.129 177.508 177.584 0.089 0.000 1.128 429 A CA -0.756 51.280 52.037 -0.001 0.000 0.789 429 A CB 1.396 20.364 19.000 -0.053 0.000 1.325 429 A HN 0.692 nan 8.150 nan 0.000 0.437 430 K N -0.397 120.085 120.400 0.136 0.000 2.149 430 K HA 0.366 4.685 4.320 -0.001 0.000 0.245 430 K C -0.512 176.092 176.600 0.007 0.000 1.024 430 K CA -0.187 56.151 56.287 0.084 0.000 0.899 430 K CB 0.612 33.174 32.500 0.102 0.000 1.038 430 K HN 0.323 nan 8.250 nan 0.000 0.496 431 V N 2.440 122.348 119.914 -0.010 0.000 2.125 431 V HA 0.079 4.199 4.120 -0.001 0.000 0.263 431 V C -0.394 175.651 176.094 -0.080 0.000 1.365 431 V CA -0.161 62.104 62.300 -0.058 0.000 1.276 431 V CB -0.623 31.181 31.823 -0.032 0.000 1.350 431 V HN 0.729 nan 8.190 nan 0.000 0.487 432 S N 1.100 116.738 115.700 -0.102 0.000 2.572 432 S HA 0.585 5.055 4.470 -0.001 0.000 0.274 432 S C 1.045 175.561 174.600 -0.141 0.000 1.150 432 S CA 0.038 58.179 58.200 -0.098 0.000 0.944 432 S CB 1.866 65.039 63.200 -0.045 0.000 1.071 432 S HN 0.528 nan 8.310 nan 0.000 0.479 433 G N 2.072 110.775 108.800 -0.162 0.000 2.513 433 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.219 433 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.219 433 G C 1.021 175.849 174.900 -0.121 0.000 1.160 433 G CA 1.314 46.302 45.100 -0.187 0.000 0.767 433 G HN 0.917 nan 8.290 nan 0.000 0.571 434 E N 0.158 120.321 120.200 -0.062 0.000 2.049 434 E HA -0.223 4.127 4.350 -0.001 0.000 0.198 434 E C 2.071 178.699 176.600 0.047 0.000 1.007 434 E CA 1.575 57.972 56.400 -0.005 0.000 0.809 434 E CB -0.237 29.466 29.700 0.005 0.000 0.749 434 E HN 0.412 nan 8.360 nan 0.000 0.450 435 D N -0.702 119.734 120.400 0.061 0.000 2.144 435 D HA -0.064 4.576 4.640 -0.001 0.000 0.200 435 D C 1.755 178.122 176.300 0.111 0.000 0.978 435 D CA 1.337 55.450 54.000 0.189 0.000 0.833 435 D CB -0.066 40.865 40.800 0.219 0.000 0.961 435 D HN 0.305 nan 8.370 nan 0.000 0.470 436 A N 0.161 122.932 122.820 -0.081 0.000 1.873 436 A HA -0.141 4.179 4.320 -0.001 0.000 0.215 436 A C 2.133 179.680 177.584 -0.062 0.000 1.186 436 A CA 1.249 53.144 52.037 -0.238 0.000 0.616 436 A CB -0.449 18.172 19.000 -0.631 0.000 0.823 436 A HN 0.181 nan 8.150 nan 0.000 0.442 437 M N -1.210 118.368 119.600 -0.037 0.000 2.086 437 M HA -0.142 4.338 4.480 -0.001 0.000 0.261 437 M C 2.391 178.798 176.300 0.180 0.000 1.067 437 M CA 2.046 57.406 55.300 0.100 0.000 1.116 437 M CB -1.175 31.460 32.600 0.058 0.000 1.348 437 M HN 0.638 nan 8.290 nan 0.000 0.407 438 M N -0.064 119.644 119.600 0.181 0.000 2.108 438 M HA -0.282 4.197 4.480 -0.001 0.000 0.261 438 M C 2.267 178.747 176.300 0.300 0.000 1.066 438 M CA 1.842 57.308 55.300 0.276 0.000 1.107 438 M CB -0.232 32.596 32.600 0.381 0.000 1.356 438 M HN 0.298 nan 8.290 nan 0.000 0.406 439 Q N -1.059 118.800 119.800 0.098 0.000 2.079 439 Q HA -0.236 4.103 4.340 -0.001 0.000 0.200 439 Q C 1.989 178.058 176.000 0.116 0.000 0.974 439 Q CA 1.810 57.459 55.803 -0.257 0.000 0.840 439 Q CB -0.377 27.925 28.738 -0.726 0.000 0.898 439 Q HN 0.688 nan 8.270 nan 0.000 0.430 440 Y N 0.618 120.980 120.300 0.102 0.000 2.081 440 Y HA -0.282 4.268 4.550 -0.001 0.000 0.280 440 Y C 2.025 177.902 175.900 -0.037 0.000 1.163 440 Y CA 1.696 59.838 58.100 0.070 0.000 1.135 440 Y CB -0.903 37.620 38.460 0.104 0.000 0.970 440 Y HN 0.208 nan 8.280 nan 0.000 0.498 441 A N -0.448 122.307 122.820 -0.108 0.000 1.865 441 A HA -0.178 4.141 4.320 -0.001 0.000 0.217 441 A C 2.467 179.996 177.584 -0.092 0.000 1.191 441 A CA 2.385 54.310 52.037 -0.187 0.000 0.623 441 A CB -1.437 17.548 19.000 -0.024 0.000 0.826 441 A HN 0.343 nan 8.150 nan 0.000 0.444 442 V N -0.219 119.721 119.914 0.043 0.000 2.282 442 V HA -0.276 3.843 4.120 -0.001 0.000 0.249 442 V C 2.782 178.887 176.094 0.019 0.000 1.057 442 V CA 2.635 64.984 62.300 0.081 0.000 1.032 442 V CB -1.263 30.701 31.823 0.234 0.000 0.645 442 V HN 0.642 nan 8.190 nan 0.000 0.447 443 T N -0.987 113.579 114.554 0.019 0.000 2.737 443 T HA -0.205 4.144 4.350 -0.001 0.000 0.265 443 T C 1.980 176.675 174.700 -0.007 0.000 1.038 443 T CA 1.647 63.763 62.100 0.026 0.000 1.144 443 T CB -0.182 68.791 68.868 0.177 0.000 0.866 443 T HN 0.386 nan 8.240 nan 0.000 0.434 444 K N 1.128 121.411 120.400 -0.195 0.000 2.032 444 K HA -0.161 4.159 4.320 -0.001 0.000 0.209 444 K C 2.360 178.907 176.600 -0.089 0.000 1.048 444 K CA 1.480 57.621 56.287 -0.244 0.000 0.927 444 K CB -0.096 32.038 32.500 -0.611 0.000 0.712 444 K HN 0.222 nan 8.250 nan 0.000 0.441 445 K N 0.327 120.672 120.400 -0.091 0.000 2.009 445 K HA -0.192 4.128 4.320 -0.001 0.000 0.210 445 K C 2.022 178.639 176.600 0.028 0.000 1.049 445 K CA 1.448 57.721 56.287 -0.023 0.000 0.929 445 K CB -0.000 32.490 32.500 -0.016 0.000 0.714 445 K HN 0.017 nan 8.250 nan 0.000 0.440 446 R N 0.513 121.022 120.500 0.015 0.000 2.096 446 R HA -0.094 4.245 4.340 -0.001 0.000 0.235 446 R C 2.493 178.843 176.300 0.084 0.000 1.127 446 R CA 1.268 57.393 56.100 0.042 0.000 0.968 446 R CB -1.293 28.941 30.300 -0.111 0.000 0.861 446 R HN 0.383 nan 8.270 nan 0.000 0.440 447 C N 0.887 120.222 119.300 0.059 0.000 2.413 447 C HA -0.098 4.362 4.460 -0.001 0.000 0.276 447 C C 2.753 177.806 174.990 0.106 0.000 1.248 447 C CA 0.641 59.712 59.018 0.088 0.000 1.742 447 C CB -0.665 27.149 27.740 0.124 0.000 2.017 447 C HN 0.430 nan 8.230 nan 0.000 0.481 448 Q N 0.967 120.820 119.800 0.088 0.000 2.061 448 Q HA -0.154 4.185 4.340 -0.001 0.000 0.204 448 Q C 2.003 178.054 176.000 0.085 0.000 0.984 448 Q CA 1.697 57.547 55.803 0.078 0.000 0.846 448 Q CB -0.423 28.346 28.738 0.052 0.000 0.902 448 Q HN 0.660 nan 8.270 nan 0.000 0.421 449 E N -0.622 119.646 120.200 0.113 0.000 2.171 449 E HA -0.188 4.162 4.350 -0.001 0.000 0.197 449 E C 1.503 178.159 176.600 0.092 0.000 0.997 449 E CA 1.020 57.488 56.400 0.113 0.000 0.810 449 E CB -0.172 29.655 29.700 0.213 0.000 0.738 449 E HN 0.377 nan 8.360 nan 0.000 0.467 450 A N 0.148 123.077 122.820 0.182 0.000 2.208 450 A HA 0.225 4.545 4.320 -0.001 0.000 0.209 450 A C 1.747 179.383 177.584 0.087 0.000 1.161 450 A CA 0.814 52.944 52.037 0.156 0.000 0.782 450 A CB -0.253 18.891 19.000 0.241 0.000 0.816 450 A HN 0.339 nan 8.150 nan 0.000 0.477 451 G N -1.524 107.323 108.800 0.078 0.000 2.136 451 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.242 451 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.242 451 G C -0.072 174.889 174.900 0.101 0.000 0.989 451 G CA 0.382 45.526 45.100 0.073 0.000 0.682 451 G HN 0.448 nan 8.290 nan 0.000 0.522 452 L N 0.518 121.809 121.223 0.113 0.000 2.346 452 L HA 0.454 4.793 4.340 -0.001 0.000 0.274 452 L C -0.103 176.849 176.870 0.136 0.000 1.007 452 L CA -1.198 53.722 54.840 0.134 0.000 0.818 452 L CB 1.345 43.471 42.059 0.111 0.000 1.284 452 L HN 0.003 nan 8.230 nan 0.000 0.424 453 D N 1.457 121.961 120.400 0.174 0.000 2.399 453 D HA 0.038 4.678 4.640 -0.001 0.000 0.241 453 D C -0.518 175.804 176.300 0.035 0.000 1.133 453 D CA 0.270 54.357 54.000 0.145 0.000 0.890 453 D CB 1.249 42.172 40.800 0.206 0.000 1.201 453 D HN 0.159 nan 8.370 nan 0.000 0.432 454 F N 2.654 122.546 119.950 -0.096 0.000 2.445 454 F HA 0.317 4.843 4.527 -0.001 0.000 0.359 454 F C -0.305 175.255 175.800 -0.400 0.000 1.101 454 F CA -0.273 57.604 58.000 -0.205 0.000 1.177 454 F CB 0.163 39.048 39.000 -0.192 0.000 1.110 454 F HN 0.137 nan 8.300 nan 0.000 0.522 455 I N 5.958 125.802 120.570 -1.209 0.000 2.499 455 I HA 0.717 4.886 4.170 -0.001 0.000 0.288 455 I C -0.031 175.354 176.117 -1.220 0.000 1.048 455 I CA -0.683 59.997 61.300 -1.034 0.000 1.062 455 I CB 1.737 39.274 38.000 -0.772 0.000 1.238 455 I HN 0.775 nan 8.210 nan 0.000 0.426 456 G N 3.099 111.402 108.800 -0.828 0.000 2.547 456 G HA2 0.695 4.655 3.960 -0.001 0.000 0.291 456 G HA3 0.695 4.655 3.960 -0.001 0.000 0.291 456 G C -1.477 173.371 174.900 -0.086 0.000 1.471 456 G CA -0.488 44.346 45.100 -0.444 0.000 0.798 456 G HN 0.445 nan 8.290 nan 0.000 0.504 457 T N -0.320 114.215 114.554 -0.032 0.000 2.909 457 T HA 0.643 4.992 4.350 -0.001 0.000 0.299 457 T C -1.351 173.366 174.700 0.028 0.000 1.073 457 T CA -0.477 61.661 62.100 0.063 0.000 0.999 457 T CB 1.810 70.699 68.868 0.037 0.000 1.098 457 T HN 0.324 nan 8.240 nan 0.000 0.477 458 F N 2.369 122.402 119.950 0.139 0.000 2.411 458 F HA 0.506 5.032 4.527 -0.001 0.000 0.352 458 F C 1.141 177.004 175.800 0.104 0.000 1.123 458 F CA -0.677 57.354 58.000 0.052 0.000 1.044 458 F CB 1.591 40.543 39.000 -0.080 0.000 1.135 458 F HN 0.624 nan 8.300 nan 0.000 0.461 459 T N 0.751 115.473 114.554 0.279 0.000 2.771 459 T HA 0.619 4.969 4.350 -0.001 0.000 0.281 459 T C -0.637 174.159 174.700 0.161 0.000 0.982 459 T CA -0.807 61.418 62.100 0.208 0.000 0.978 459 T CB 0.988 69.960 68.868 0.173 0.000 0.930 459 T HN 0.248 nan 8.240 nan 0.000 0.447 460 V N 4.293 124.310 119.914 0.172 0.000 2.353 460 V HA 0.579 4.698 4.120 -0.001 0.000 0.264 460 V C 1.284 177.430 176.094 0.088 0.000 1.049 460 V CA -0.448 61.939 62.300 0.146 0.000 0.896 460 V CB 0.282 32.230 31.823 0.208 0.000 1.025 460 V HN 1.158 nan 8.190 nan 0.000 0.475 461 G N 2.819 111.653 108.800 0.058 0.000 2.535 461 G HA2 0.379 4.338 3.960 -0.001 0.000 0.282 461 G HA3 0.379 4.338 3.960 -0.001 0.000 0.282 461 G C 0.616 175.551 174.900 0.059 0.000 1.350 461 G CA -0.505 44.612 45.100 0.029 0.000 1.039 461 G HN 0.605 nan 8.290 nan 0.000 0.509 462 M N -0.821 118.811 119.600 0.053 0.000 2.077 462 M HA 0.090 4.569 4.480 -0.001 0.000 0.261 462 M C 2.074 178.405 176.300 0.052 0.000 1.070 462 M CA 1.693 57.026 55.300 0.056 0.000 1.125 462 M CB 0.006 32.636 32.600 0.050 0.000 1.339 462 M HN 0.443 nan 8.290 nan 0.000 0.409 463 R N -0.131 120.400 120.500 0.052 0.000 2.596 463 R HA 0.246 4.586 4.340 -0.001 0.000 0.369 463 R C -0.892 175.439 176.300 0.053 0.000 1.042 463 R CA -0.039 56.087 56.100 0.044 0.000 1.120 463 R CB 0.348 30.671 30.300 0.038 0.000 1.353 463 R HN 0.398 nan 8.270 nan 0.000 0.564 464 E N -0.043 120.198 120.200 0.068 0.000 2.430 464 E HA 0.435 4.785 4.350 -0.001 0.000 0.279 464 E C -1.016 175.650 176.600 0.111 0.000 1.003 464 E CA -0.858 55.594 56.400 0.086 0.000 0.801 464 E CB 1.192 30.954 29.700 0.104 0.000 1.313 464 E HN -0.135 nan 8.360 nan 0.000 0.459 465 M N 1.323 121.000 119.600 0.128 0.000 2.393 465 M HA 0.408 4.888 4.480 -0.001 0.000 0.316 465 M C -1.304 175.152 176.300 0.261 0.000 1.087 465 M CA -0.928 54.483 55.300 0.186 0.000 0.937 465 M CB 1.856 34.539 32.600 0.138 0.000 1.668 465 M HN 0.568 nan 8.290 nan 0.000 0.438 466 H N 1.371 120.458 119.070 0.028 0.000 2.620 466 H HA 0.241 4.797 4.556 -0.001 0.000 0.313 466 H C -0.577 174.811 175.328 0.099 0.000 1.075 466 H CA 0.075 56.098 56.048 -0.042 0.000 1.397 466 H CB 0.212 29.836 29.762 -0.230 0.000 1.446 466 H HN 0.344 nan 8.280 nan 0.000 0.493 467 H N 4.980 124.071 119.070 0.035 0.000 2.685 467 H HA 0.170 4.725 4.556 -0.001 0.000 0.286 467 H C -0.664 174.595 175.328 -0.115 0.000 1.102 467 H CA -1.141 54.837 56.048 -0.118 0.000 1.254 467 H CB -0.135 29.514 29.762 -0.188 0.000 1.397 467 H HN 0.424 nan 8.280 nan 0.000 0.473 468 I N 7.486 128.143 120.570 0.145 0.000 2.256 468 I HA 0.049 4.219 4.170 -0.001 0.000 0.294 468 I C 0.204 176.288 176.117 -0.055 0.000 1.127 468 I CA -0.505 60.814 61.300 0.032 0.000 1.247 468 I CB -0.087 37.918 38.000 0.008 0.000 1.460 468 I HN 0.236 nan 8.210 nan 0.000 0.511 469 V N 5.789 125.611 119.914 -0.154 0.000 2.470 469 V HA 0.051 4.170 4.120 -0.001 0.000 0.276 469 V C 0.362 176.367 176.094 -0.149 0.000 1.040 469 V CA -0.187 61.962 62.300 -0.252 0.000 1.008 469 V CB 0.981 32.716 31.823 -0.146 0.000 0.990 469 V HN 0.736 nan 8.190 nan 0.000 0.477 470 C N 7.336 126.420 119.300 -0.361 0.000 2.135 470 C HA 0.455 4.915 4.460 -0.001 0.000 0.345 470 C C 0.576 175.386 174.990 -0.300 0.000 1.067 470 C CA -0.965 57.836 59.018 -0.362 0.000 1.517 470 C CB -1.471 25.757 27.740 -0.853 0.000 1.923 470 C HN 0.663 nan 8.230 nan 0.000 0.466 471 I N 3.742 124.229 120.570 -0.138 0.000 2.436 471 I HA 0.250 4.420 4.170 -0.001 0.000 0.289 471 I C 0.365 176.566 176.117 0.139 0.000 1.083 471 I CA 0.482 61.767 61.300 -0.026 0.000 1.372 471 I CB 0.328 38.314 38.000 -0.024 0.000 1.408 471 I HN 0.445 nan 8.210 nan 0.000 0.516 472 V N 8.208 128.237 119.914 0.192 0.000 2.604 472 V HA 0.764 4.883 4.120 -0.001 0.000 0.305 472 V C -0.947 175.364 176.094 0.361 0.000 1.043 472 V CA -0.402 62.072 62.300 0.289 0.000 0.888 472 V CB 1.647 33.649 31.823 0.299 0.000 0.995 472 V HN 0.587 nan 8.190 nan 0.000 0.429 473 F N 2.793 122.807 119.950 0.107 0.000 2.643 473 F HA 0.657 5.183 4.527 -0.001 0.000 0.314 473 F C -0.859 174.979 175.800 0.064 0.000 1.096 473 F CA -1.486 56.564 58.000 0.084 0.000 0.953 473 F CB 1.307 40.344 39.000 0.061 0.000 1.345 473 F HN 0.561 nan 8.300 nan 0.000 0.468 474 N N 1.811 120.574 118.700 0.105 0.000 2.406 474 N HA 0.146 4.886 4.740 -0.001 0.000 0.251 474 N C 0.426 175.961 175.510 0.040 0.000 1.069 474 N CA -0.402 52.636 53.050 -0.019 0.000 0.947 474 N CB 1.201 39.713 38.487 0.041 0.000 1.111 474 N HN 0.840 nan 8.380 nan 0.000 0.497 475 K N 2.240 122.547 120.400 -0.154 0.000 2.574 475 K HA -0.035 4.285 4.320 -0.001 0.000 0.193 475 K C 0.409 177.099 176.600 0.150 0.000 1.035 475 K CA 1.130 57.405 56.287 -0.019 0.000 0.982 475 K CB 0.174 32.466 32.500 -0.348 0.000 0.795 475 K HN 0.393 nan 8.250 nan 0.000 0.491 476 K N 0.716 121.179 120.400 0.104 0.000 2.414 476 K HA 0.056 4.376 4.320 -0.001 0.000 0.204 476 K C -0.593 176.065 176.600 0.095 0.000 1.026 476 K CA -0.148 56.204 56.287 0.109 0.000 1.108 476 K CB 0.586 33.127 32.500 0.068 0.000 0.855 476 K HN 0.095 nan 8.250 nan 0.000 0.517 477 D N 1.355 121.826 120.400 0.118 0.000 2.454 477 D HA 0.127 4.766 4.640 -0.001 0.000 0.225 477 D C 0.976 177.345 176.300 0.115 0.000 1.081 477 D CA -0.259 53.803 54.000 0.103 0.000 0.864 477 D CB 0.832 41.694 40.800 0.104 0.000 1.040 477 D HN -0.039 nan 8.370 nan 0.000 0.517 478 L N 3.492 124.766 121.223 0.085 0.000 2.042 478 L HA -0.175 4.165 4.340 -0.001 0.000 0.210 478 L C 2.397 179.299 176.870 0.054 0.000 1.076 478 L CA 1.080 55.962 54.840 0.070 0.000 0.749 478 L CB -0.273 41.813 42.059 0.044 0.000 0.893 478 L HN 0.512 nan 8.230 nan 0.000 0.432 479 I N -0.847 119.749 120.570 0.043 0.000 2.226 479 I HA -0.320 3.849 4.170 -0.001 0.000 0.245 479 I C 2.737 178.875 176.117 0.035 0.000 1.100 479 I CA 1.424 62.740 61.300 0.027 0.000 1.374 479 I CB -0.225 37.784 38.000 0.016 0.000 1.057 479 I HN 0.386 nan 8.210 nan 0.000 0.413 480 Q N 1.135 120.974 119.800 0.064 0.000 2.172 480 Q HA -0.196 4.143 4.340 -0.001 0.000 0.200 480 Q C 2.107 178.139 176.000 0.055 0.000 0.964 480 Q CA 1.245 57.096 55.803 0.081 0.000 0.855 480 Q CB 0.159 28.976 28.738 0.131 0.000 0.918 480 Q HN 0.409 nan 8.270 nan 0.000 0.444 481 K N -0.014 120.429 120.400 0.072 0.000 2.057 481 K HA -0.151 4.169 4.320 -0.001 0.000 0.207 481 K C 2.206 178.772 176.600 -0.057 0.000 1.049 481 K CA 1.298 57.570 56.287 -0.024 0.000 0.931 481 K CB -0.074 32.480 32.500 0.091 0.000 0.714 481 K HN 0.144 nan 8.250 nan 0.000 0.440 482 R N 1.005 121.506 120.500 0.003 0.000 2.075 482 R HA -0.085 4.255 4.340 -0.001 0.000 0.232 482 R C 2.177 178.513 176.300 0.060 0.000 1.126 482 R CA 1.360 57.473 56.100 0.022 0.000 0.963 482 R CB -0.023 30.287 30.300 0.017 0.000 0.858 482 R HN 0.100 nan 8.270 nan 0.000 0.435 483 K N -0.031 120.398 120.400 0.048 0.000 2.097 483 K HA -0.094 4.226 4.320 -0.001 0.000 0.206 483 K C 1.946 178.623 176.600 0.128 0.000 1.049 483 K CA 1.156 57.507 56.287 0.106 0.000 0.933 483 K CB 0.074 32.610 32.500 0.060 0.000 0.717 483 K HN 0.009 nan 8.250 nan 0.000 0.442 484 V N 1.599 121.502 119.914 -0.019 0.000 2.343 484 V HA -0.268 3.851 4.120 -0.001 0.000 0.247 484 V C 2.129 178.161 176.094 -0.103 0.000 1.051 484 V CA 1.678 63.896 62.300 -0.135 0.000 1.036 484 V CB -0.496 31.062 31.823 -0.441 0.000 0.654 484 V HN 0.367 nan 8.190 nan 0.000 0.451 485 Q N -1.401 118.385 119.800 -0.023 0.000 2.124 485 Q HA -0.267 4.072 4.340 -0.001 0.000 0.202 485 Q C 2.069 178.126 176.000 0.095 0.000 0.977 485 Q CA 2.162 58.019 55.803 0.089 0.000 0.850 485 Q CB -0.298 28.515 28.738 0.126 0.000 0.901 485 Q HN 0.828 nan 8.270 nan 0.000 0.429 486 W N 1.331 122.608 121.300 -0.039 0.000 2.381 486 W HA -0.181 4.479 4.660 -0.001 0.000 0.301 486 W C 1.792 178.265 176.519 -0.078 0.000 1.205 486 W CA 0.935 58.258 57.345 -0.037 0.000 1.285 486 W CB -0.255 29.185 29.460 -0.033 0.000 1.133 486 W HN 0.141 nan 8.180 nan 0.000 0.521 487 L N 1.061 122.231 121.223 -0.087 0.000 1.994 487 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 487 L C 2.478 179.035 176.870 -0.521 0.000 1.071 487 L CA 2.754 57.373 54.840 -0.368 0.000 0.745 487 L CB -1.329 40.673 42.059 -0.094 0.000 0.892 487 L HN 0.186 nan 8.230 nan 0.000 0.431 488 M N -0.316 119.024 119.600 -0.432 0.000 2.065 488 M HA -0.207 4.273 4.480 -0.001 0.000 0.259 488 M C 2.386 178.393 176.300 -0.489 0.000 1.071 488 M CA 1.859 56.813 55.300 -0.576 0.000 1.109 488 M CB -0.449 31.655 32.600 -0.826 0.000 1.313 488 M HN 0.174 nan 8.290 nan 0.000 0.408 489 R N -1.152 119.157 120.500 -0.317 0.000 2.127 489 R HA -0.123 4.217 4.340 -0.001 0.000 0.238 489 R C 1.959 178.093 176.300 -0.277 0.000 1.134 489 R CA 1.915 57.914 56.100 -0.168 0.000 0.975 489 R CB -0.977 29.302 30.300 -0.035 0.000 0.865 489 R HN 0.494 nan 8.270 nan 0.000 0.447 490 T N 1.470 115.716 114.554 -0.513 0.000 2.851 490 T HA -0.008 4.342 4.350 -0.001 0.000 0.262 490 T C 1.986 176.442 174.700 -0.407 0.000 1.043 490 T CA 0.704 62.485 62.100 -0.532 0.000 1.140 490 T CB -0.103 68.171 68.868 -0.990 0.000 0.872 490 T HN 0.108 nan 8.240 nan 0.000 0.446 491 L N 0.401 121.302 121.223 -0.537 0.000 2.042 491 L HA -0.067 4.273 4.340 -0.001 0.000 0.210 491 L C 2.427 179.125 176.870 -0.286 0.000 1.076 491 L CA 1.165 55.653 54.840 -0.588 0.000 0.749 491 L CB -0.643 40.597 42.059 -1.365 0.000 0.893 491 L HN 0.248 nan 8.230 nan 0.000 0.432 492 I N -0.174 120.285 120.570 -0.184 0.000 2.091 492 I HA -0.349 3.820 4.170 -0.001 0.000 0.239 492 I C 2.209 178.387 176.117 0.101 0.000 1.061 492 I CA 1.522 62.905 61.300 0.139 0.000 1.317 492 I CB -0.426 37.657 38.000 0.139 0.000 1.031 492 I HN 0.290 nan 8.210 nan 0.000 0.401 493 D N 0.780 121.185 120.400 0.007 0.000 2.084 493 D HA -0.183 4.457 4.640 -0.001 0.000 0.194 493 D C 1.828 178.137 176.300 0.016 0.000 0.990 493 D CA 1.358 55.362 54.000 0.007 0.000 0.826 493 D CB -0.547 40.235 40.800 -0.029 0.000 0.971 493 D HN 0.297 nan 8.370 nan 0.000 0.453 494 D N 0.060 120.458 120.400 -0.004 0.000 2.123 494 D HA -0.126 4.513 4.640 -0.001 0.000 0.196 494 D C 2.255 178.634 176.300 0.131 0.000 0.992 494 D CA 0.675 54.699 54.000 0.039 0.000 0.833 494 D CB -0.579 40.237 40.800 0.027 0.000 0.954 494 D HN 0.231 nan 8.370 nan 0.000 0.455 495 C N 1.000 120.445 119.300 0.241 0.000 2.440 495 C HA 0.008 4.468 4.460 -0.001 0.000 0.278 495 C C 2.908 178.040 174.990 0.237 0.000 1.295 495 C CA 0.586 59.881 59.018 0.461 0.000 1.738 495 C CB -0.997 27.126 27.740 0.637 0.000 1.987 495 C HN 0.367 nan 8.230 nan 0.000 0.492 496 A N 0.658 123.551 122.820 0.122 0.000 1.902 496 A HA 0.071 4.390 4.320 -0.001 0.000 0.217 496 A C 2.342 179.890 177.584 -0.059 0.000 1.181 496 A CA 1.920 53.961 52.037 0.007 0.000 0.623 496 A CB -0.898 18.101 19.000 -0.002 0.000 0.818 496 A HN 0.577 nan 8.150 nan 0.000 0.443 497 A N -0.429 122.366 122.820 -0.041 0.000 2.178 497 A HA -0.104 4.215 4.320 -0.001 0.000 0.218 497 A C 1.522 179.010 177.584 -0.160 0.000 1.157 497 A CA 1.271 53.264 52.037 -0.075 0.000 0.689 497 A CB -0.446 18.531 19.000 -0.037 0.000 0.787 497 A HN 0.577 nan 8.150 nan 0.000 0.465 498 N N -0.713 117.823 118.700 -0.274 0.000 2.238 498 N HA 0.181 4.921 4.740 -0.001 0.000 0.222 498 N C 0.841 175.820 175.510 -0.884 0.000 1.133 498 N CA 0.691 53.373 53.050 -0.613 0.000 0.854 498 N CB 0.531 38.493 38.487 -0.873 0.000 1.041 498 N HN 0.535 nan 8.380 nan 0.000 0.510 499 G N 0.833 109.350 108.800 -0.471 0.000 2.198 499 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.260 499 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.260 499 G C -0.561 174.132 174.900 -0.345 0.000 1.025 499 G CA -0.136 44.731 45.100 -0.388 0.000 0.769 499 G HN 0.281 nan 8.290 nan 0.000 0.507 500 W N -0.350 120.941 121.300 -0.015 0.000 2.632 500 W HA 0.699 5.358 4.660 -0.001 0.000 0.328 500 W C 0.480 176.970 176.519 -0.049 0.000 1.044 500 W CA -0.913 56.428 57.345 -0.008 0.000 1.225 500 W CB 1.924 31.413 29.460 0.050 0.000 1.396 500 W HN 0.459 nan 8.180 nan 0.000 0.499 501 G N 1.471 110.363 108.800 0.154 0.000 2.511 501 G HA2 0.568 4.528 3.960 -0.001 0.000 0.318 501 G HA3 0.568 4.528 3.960 -0.001 0.000 0.318 501 G C -1.206 173.779 174.900 0.142 0.000 1.210 501 G CA -0.520 44.598 45.100 0.030 0.000 0.969 501 G HN 0.220 nan 8.290 nan 0.000 0.484 502 E N -0.999 119.303 120.200 0.169 0.000 2.283 502 E HA 0.336 4.685 4.350 -0.001 0.000 0.267 502 E C 0.054 176.744 176.600 0.150 0.000 1.045 502 E CA -0.547 55.893 56.400 0.067 0.000 0.884 502 E CB 1.268 30.952 29.700 -0.027 0.000 1.106 502 E HN 0.558 nan 8.360 nan 0.000 0.408 503 Y N 0.791 121.033 120.300 -0.096 0.000 2.458 503 Y HA 0.411 4.960 4.550 -0.001 0.000 0.254 503 Y C 0.224 176.043 175.900 -0.135 0.000 1.120 503 Y CA -0.245 57.774 58.100 -0.134 0.000 1.282 503 Y CB 0.664 38.965 38.460 -0.264 0.000 1.109 503 Y HN 0.332 nan 8.280 nan 0.000 0.526 504 R N 0.431 120.486 120.500 -0.743 0.000 2.634 504 R HA 0.546 4.885 4.340 -0.001 0.000 0.263 504 R C -1.782 174.266 176.300 -0.419 0.000 1.060 504 R CA 0.125 55.702 56.100 -0.872 0.000 0.898 504 R CB 1.327 30.664 30.300 -1.604 0.000 1.253 504 R HN 0.242 nan 8.270 nan 0.000 0.461 505 T N -0.292 114.083 114.554 -0.298 0.000 2.762 505 T HA 0.299 4.648 4.350 -0.001 0.000 0.301 505 T C -1.177 173.727 174.700 0.340 0.000 1.299 505 T CA -0.918 61.287 62.100 0.175 0.000 1.005 505 T CB 0.809 69.870 68.868 0.320 0.000 1.377 505 T HN 0.610 nan 8.240 nan 0.000 0.504 506 H N 0.367 119.763 119.070 0.544 0.000 2.615 506 H HA 0.315 4.870 4.556 -0.001 0.000 0.363 506 H C 1.163 176.639 175.328 0.245 0.000 1.148 506 H CA -0.379 55.953 56.048 0.474 0.000 1.401 506 H CB 0.742 30.874 29.762 0.617 0.000 1.461 506 H HN 0.610 nan 8.280 nan 0.000 0.588 507 L N 3.057 124.091 121.223 -0.314 0.000 2.064 507 L HA -0.281 4.058 4.340 -0.001 0.000 0.216 507 L C 2.607 179.436 176.870 -0.069 0.000 1.077 507 L CA 1.795 56.423 54.840 -0.353 0.000 0.766 507 L CB -0.676 40.757 42.059 -1.044 0.000 0.890 507 L HN 0.661 nan 8.230 nan 0.000 0.435 508 A N -1.237 121.704 122.820 0.201 0.000 2.167 508 A HA -0.024 4.296 4.320 -0.001 0.000 0.214 508 A C 1.533 178.786 177.584 -0.553 0.000 1.151 508 A CA 0.908 52.855 52.037 -0.151 0.000 0.735 508 A CB -0.406 18.277 19.000 -0.528 0.000 0.802 508 A HN 0.416 nan 8.150 nan 0.000 0.467 509 F N -1.813 118.333 119.950 0.328 0.000 2.682 509 F HA 0.328 4.855 4.527 -0.001 0.000 0.308 509 F C 1.830 177.760 175.800 0.216 0.000 1.093 509 F CA -0.260 57.888 58.000 0.248 0.000 1.244 509 F CB -0.369 38.775 39.000 0.239 0.000 1.052 509 F HN 0.038 nan 8.300 nan 0.000 0.573 510 M N 0.247 120.006 119.600 0.266 0.000 2.082 510 M HA -0.238 4.242 4.480 -0.001 0.000 0.258 510 M C 1.731 178.156 176.300 0.209 0.000 1.069 510 M CA 1.875 57.289 55.300 0.190 0.000 1.102 510 M CB -0.384 32.273 32.600 0.095 0.000 1.336 510 M HN 0.073 nan 8.290 nan 0.000 0.404 511 D N -0.196 120.354 120.400 0.250 0.000 2.097 511 D HA -0.219 4.421 4.640 -0.001 0.000 0.195 511 D C 1.898 178.338 176.300 0.234 0.000 0.989 511 D CA 1.357 55.516 54.000 0.266 0.000 0.827 511 D CB -0.558 40.429 40.800 0.312 0.000 0.966 511 D HN 0.516 nan 8.370 nan 0.000 0.456 512 Q N 0.369 120.318 119.800 0.249 0.000 2.124 512 Q HA -0.118 4.222 4.340 -0.001 0.000 0.202 512 Q C 2.388 178.533 176.000 0.242 0.000 0.977 512 Q CA 0.780 56.723 55.803 0.233 0.000 0.850 512 Q CB -0.005 28.885 28.738 0.254 0.000 0.901 512 Q HN 0.305 nan 8.270 nan 0.000 0.429 513 I N 0.161 120.899 120.570 0.280 0.000 2.353 513 I HA -0.249 3.920 4.170 -0.001 0.000 0.248 513 I C 2.402 178.726 176.117 0.345 0.000 1.119 513 I CA 0.658 62.135 61.300 0.297 0.000 1.417 513 I CB -0.130 38.045 38.000 0.291 0.000 1.078 513 I HN 0.342 nan 8.210 nan 0.000 0.421 514 M N 1.158 120.924 119.600 0.277 0.000 2.213 514 M HA -0.210 4.270 4.480 -0.001 0.000 0.263 514 M C 1.991 178.475 176.300 0.307 0.000 1.062 514 M CA 1.777 57.253 55.300 0.294 0.000 1.105 514 M CB -0.462 32.257 32.600 0.198 0.000 1.385 514 M HN 0.048 nan 8.290 nan 0.000 0.417 515 E N -0.870 119.468 120.200 0.229 0.000 2.265 515 E HA -0.139 4.211 4.350 -0.001 0.000 0.196 515 E C 1.623 178.321 176.600 0.163 0.000 0.996 515 E CA 1.774 58.281 56.400 0.179 0.000 0.832 515 E CB -0.583 29.199 29.700 0.137 0.000 0.756 515 E HN 0.522 nan 8.360 nan 0.000 0.491 516 T N -0.538 114.112 114.554 0.159 0.000 2.915 516 T HA -0.102 4.247 4.350 -0.001 0.000 0.269 516 T C -0.068 174.592 174.700 -0.066 0.000 1.071 516 T CA 0.760 62.879 62.100 0.032 0.000 1.132 516 T CB -0.276 68.599 68.868 0.011 0.000 0.878 516 T HN 0.220 nan 8.240 nan 0.000 0.479 517 Y N 2.773 123.131 120.300 0.095 0.000 2.960 517 Y HA 0.232 4.782 4.550 -0.001 0.000 0.393 517 Y C 1.088 177.081 175.900 0.155 0.000 1.118 517 Y CA -0.961 57.185 58.100 0.077 0.000 1.850 517 Y CB -0.484 37.979 38.460 0.006 0.000 1.827 517 Y HN 0.224 nan 8.280 nan 0.000 0.463 518 N N -1.529 117.303 118.700 0.220 0.000 2.273 518 N HA -0.063 4.676 4.740 -0.001 0.000 0.231 518 N C -0.074 175.558 175.510 0.203 0.000 1.134 518 N CA -0.521 52.652 53.050 0.205 0.000 0.856 518 N CB -0.332 38.236 38.487 0.135 0.000 1.068 518 N HN 0.393 nan 8.380 nan 0.000 0.510 519 W N 2.655 123.992 121.300 0.062 0.000 2.345 519 W HA 0.019 4.679 4.660 -0.001 0.000 0.346 519 W C 0.946 177.502 176.519 0.063 0.000 1.243 519 W CA 1.109 58.480 57.345 0.042 0.000 1.327 519 W CB -0.006 29.470 29.460 0.027 0.000 1.187 519 W HN 0.473 nan 8.180 nan 0.000 0.588 520 N N 4.648 122.801 118.700 -0.911 0.000 2.699 520 N HA -0.358 4.381 4.740 -0.001 0.000 0.256 520 N C -0.352 174.974 175.510 -0.306 0.000 0.993 520 N CA 0.835 53.366 53.050 -0.866 0.000 0.759 520 N CB -1.236 36.476 38.487 -1.293 0.000 0.906 520 N HN 0.773 nan 8.380 nan 0.000 0.541 521 N N -0.431 118.164 118.700 -0.175 0.000 2.738 521 N HA -0.170 4.569 4.740 -0.001 0.000 0.249 521 N C -0.415 175.108 175.510 0.022 0.000 1.047 521 N CA 1.354 54.370 53.050 -0.057 0.000 0.707 521 N CB -1.556 36.892 38.487 -0.064 0.000 0.937 521 N HN 0.578 nan 8.380 nan 0.000 0.545 522 S N -2.139 113.609 115.700 0.080 0.000 3.698 522 S HA -0.231 4.239 4.470 -0.001 0.000 0.338 522 S C 1.298 176.006 174.600 0.180 0.000 1.089 522 S CA 0.988 59.282 58.200 0.157 0.000 0.991 522 S CB -1.197 62.082 63.200 0.130 0.000 0.909 522 S HN 0.742 nan 8.310 nan 0.000 0.485 523 S N -0.489 115.322 115.700 0.184 0.000 2.400 523 S HA -0.108 4.362 4.470 -0.001 0.000 0.232 523 S C 1.298 176.067 174.600 0.282 0.000 1.025 523 S CA 1.708 60.029 58.200 0.202 0.000 0.993 523 S CB -0.223 63.089 63.200 0.185 0.000 0.808 523 S HN 0.679 nan 8.310 nan 0.000 0.478 524 F N 1.383 121.448 119.950 0.192 0.000 2.163 524 F HA 0.074 4.601 4.527 -0.001 0.000 0.297 524 F C 1.767 177.674 175.800 0.178 0.000 1.094 524 F CA 1.214 59.323 58.000 0.183 0.000 1.290 524 F CB -0.463 38.638 39.000 0.167 0.000 1.017 524 F HN 0.289 nan 8.300 nan 0.000 0.483 525 L N 0.881 122.217 121.223 0.187 0.000 2.027 525 L HA -0.094 4.245 4.340 -0.001 0.000 0.206 525 L C 2.450 179.341 176.870 0.035 0.000 1.074 525 L CA 1.541 56.412 54.840 0.052 0.000 0.745 525 L CB -0.873 41.271 42.059 0.141 0.000 0.898 525 L HN -0.060 nan 8.230 nan 0.000 0.433 526 R N -0.635 119.925 120.500 0.101 0.000 2.096 526 R HA -0.247 4.093 4.340 -0.001 0.000 0.240 526 R C 2.258 178.597 176.300 0.066 0.000 1.139 526 R CA 2.058 58.215 56.100 0.096 0.000 0.952 526 R CB -1.671 28.699 30.300 0.116 0.000 0.854 526 R HN 0.456 nan 8.270 nan 0.000 0.436 527 F N 2.534 122.448 119.950 -0.060 0.000 2.095 527 F HA -0.201 4.325 4.527 -0.001 0.000 0.298 527 F C 2.044 177.745 175.800 -0.165 0.000 1.104 527 F CA 1.487 59.429 58.000 -0.097 0.000 1.232 527 F CB -0.374 38.571 39.000 -0.092 0.000 0.987 527 F HN 0.017 nan 8.300 nan 0.000 0.475 528 N N 0.610 119.165 118.700 -0.242 0.000 2.104 528 N HA -0.195 4.545 4.740 -0.001 0.000 0.190 528 N C 1.762 177.116 175.510 -0.259 0.000 1.024 528 N CA 1.806 54.650 53.050 -0.344 0.000 0.853 528 N CB -0.388 37.870 38.487 -0.383 0.000 1.008 528 N HN 0.527 nan 8.380 nan 0.000 0.424 529 E N 0.426 120.543 120.200 -0.139 0.000 2.077 529 E HA -0.111 4.238 4.350 -0.001 0.000 0.193 529 E C 2.093 178.624 176.600 -0.115 0.000 0.989 529 E CA 0.778 57.136 56.400 -0.070 0.000 0.800 529 E CB -0.005 29.718 29.700 0.038 0.000 0.746 529 E HN 0.058 nan 8.360 nan 0.000 0.452 530 V N 1.618 121.436 119.914 -0.161 0.000 2.282 530 V HA -0.297 3.823 4.120 -0.001 0.000 0.249 530 V C 2.308 178.259 176.094 -0.239 0.000 1.057 530 V CA 1.679 63.870 62.300 -0.181 0.000 1.032 530 V CB -0.495 31.209 31.823 -0.200 0.000 0.645 530 V HN 0.284 nan 8.190 nan 0.000 0.447 531 L N -0.219 120.777 121.223 -0.378 0.000 2.017 531 L HA -0.220 4.120 4.340 -0.001 0.000 0.208 531 L C 2.605 179.346 176.870 -0.216 0.000 1.073 531 L CA 2.057 56.690 54.840 -0.344 0.000 0.745 531 L CB -0.738 41.050 42.059 -0.451 0.000 0.894 531 L HN 0.315 nan 8.230 nan 0.000 0.432 532 K N 0.733 121.017 120.400 -0.194 0.000 2.026 532 K HA -0.148 4.172 4.320 -0.001 0.000 0.208 532 K C 1.822 178.371 176.600 -0.085 0.000 1.048 532 K CA 1.549 57.757 56.287 -0.132 0.000 0.929 532 K CB -0.255 32.173 32.500 -0.121 0.000 0.713 532 K HN 0.204 nan 8.250 nan 0.000 0.439 533 N N 0.432 119.090 118.700 -0.069 0.000 2.289 533 N HA -0.111 4.629 4.740 -0.001 0.000 0.184 533 N C 1.564 177.051 175.510 -0.039 0.000 1.016 533 N CA 1.250 54.279 53.050 -0.035 0.000 0.872 533 N CB -0.224 38.252 38.487 -0.020 0.000 0.973 533 N HN 0.374 nan 8.380 nan 0.000 0.433 534 A N 0.867 123.648 122.820 -0.064 0.000 1.898 534 A HA -0.073 4.246 4.320 -0.001 0.000 0.216 534 A C 2.360 179.920 177.584 -0.039 0.000 1.181 534 A CA 1.659 53.665 52.037 -0.052 0.000 0.620 534 A CB -0.603 18.354 19.000 -0.071 0.000 0.819 534 A HN 0.209 nan 8.150 nan 0.000 0.442 535 V N -3.111 116.773 119.914 -0.050 0.000 3.235 535 V HA 0.144 4.263 4.120 -0.001 0.000 0.259 535 V C 0.450 176.536 176.094 -0.013 0.000 1.133 535 V CA 1.544 63.828 62.300 -0.027 0.000 1.128 535 V CB -0.093 31.712 31.823 -0.030 0.000 0.757 535 V HN 0.370 nan 8.190 nan 0.000 0.469 536 D N 0.998 121.388 120.400 -0.017 0.000 2.513 536 D HA 0.343 4.982 4.640 -0.001 0.000 0.295 536 D C -1.613 174.694 176.300 0.011 0.000 1.202 536 D CA -1.980 52.020 54.000 -0.000 0.000 0.849 536 D CB 1.455 42.250 40.800 -0.010 0.000 1.116 536 D HN 0.218 nan 8.370 nan 0.000 0.502 537 P HA -0.075 nan 4.420 nan 0.000 0.222 537 P C 0.551 177.871 177.300 0.033 0.000 1.147 537 P CA 0.688 63.799 63.100 0.017 0.000 0.790 537 P CB 0.499 32.205 31.700 0.010 0.000 0.780 538 N N -0.723 118.004 118.700 0.045 0.000 2.280 538 N HA 0.081 4.821 4.740 -0.001 0.000 0.192 538 N C 1.155 176.724 175.510 0.098 0.000 1.109 538 N CA 0.741 53.829 53.050 0.063 0.000 0.855 538 N CB -0.229 38.298 38.487 0.067 0.000 0.974 538 N HN 0.122 nan 8.380 nan 0.000 0.482 539 G N 2.259 111.115 108.800 0.093 0.000 2.356 539 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.296 539 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.296 539 G C 0.890 175.860 174.900 0.117 0.000 1.022 539 G CA 0.803 45.973 45.100 0.116 0.000 0.961 539 G HN 0.572 nan 8.290 nan 0.000 0.510 540 I N -3.044 117.581 120.570 0.092 0.000 3.427 540 I HA 0.382 4.551 4.170 -0.001 0.000 0.288 540 I C 0.651 176.805 176.117 0.061 0.000 1.249 540 I CA -0.210 61.157 61.300 0.111 0.000 1.421 540 I CB 0.128 38.209 38.000 0.136 0.000 1.086 540 I HN 0.025 nan 8.210 nan 0.000 0.448 541 I N 3.366 123.939 120.570 0.004 0.000 2.301 541 I HA 0.278 4.447 4.170 -0.001 0.000 0.292 541 I C 1.172 177.232 176.117 -0.095 0.000 1.046 541 I CA -0.597 60.678 61.300 -0.041 0.000 1.282 541 I CB -0.006 37.959 38.000 -0.058 0.000 1.409 541 I HN 0.357 nan 8.210 nan 0.000 0.484 542 A N 8.239 131.019 122.820 -0.066 0.000 2.364 542 A HA -0.142 4.177 4.320 -0.001 0.000 0.288 542 A C -1.955 175.539 177.584 -0.149 0.000 1.433 542 A CA -0.329 51.684 52.037 -0.040 0.000 0.757 542 A CB -1.803 16.970 19.000 -0.379 0.000 1.098 542 A HN 0.568 nan 8.150 nan 0.000 0.380 543 P HA 0.279 nan 4.420 nan 0.000 0.262 543 P C 1.227 177.995 177.300 -0.887 0.000 1.182 543 P CA 1.649 64.400 63.100 -0.582 0.000 0.761 543 P CB 0.601 31.692 31.700 -1.015 0.000 0.795 544 G N 1.773 109.782 108.800 -1.320 0.000 2.217 544 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.246 544 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.246 544 G C 0.285 174.690 174.900 -0.825 0.000 0.990 544 G CA 0.195 44.070 45.100 -2.042 0.000 0.627 544 G HN 0.754 nan 8.290 nan 0.000 0.522 545 K N 1.586 121.732 120.400 -0.424 0.000 2.472 545 K HA 0.436 4.755 4.320 -0.001 0.000 0.280 545 K C 1.194 177.652 176.600 -0.237 0.000 1.028 545 K CA 1.194 57.369 56.287 -0.187 0.000 1.045 545 K CB -0.097 32.275 32.500 -0.214 0.000 0.902 545 K HN 0.915 nan 8.250 nan 0.000 0.478 546 S N 2.750 118.360 115.700 -0.151 0.000 3.382 546 S HA -0.170 4.300 4.470 -0.001 0.000 0.293 546 S C 0.859 175.405 174.600 -0.091 0.000 1.262 546 S CA 1.274 59.405 58.200 -0.115 0.000 0.969 546 S CB -2.033 61.081 63.200 -0.142 0.000 1.136 546 S HN 1.466 nan 8.310 nan 0.000 0.635 547 G N -1.196 107.518 108.800 -0.144 0.000 2.162 547 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.260 547 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.260 547 G C 0.013 174.820 174.900 -0.154 0.000 0.976 547 G CA 0.075 45.144 45.100 -0.053 0.000 0.655 547 G HN 1.339 nan 8.290 nan 0.000 0.533 548 V N 0.493 120.218 119.914 -0.314 0.000 2.334 548 V HA 0.552 4.672 4.120 -0.001 0.000 0.267 548 V C 0.037 175.946 176.094 -0.309 0.000 1.040 548 V CA -0.519 61.659 62.300 -0.204 0.000 0.866 548 V CB 0.204 31.913 31.823 -0.189 0.000 1.019 548 V HN 0.295 nan 8.190 nan 0.000 0.468 549 W N 6.989 128.333 121.300 0.074 0.000 2.429 549 W HA 0.533 5.192 4.660 -0.001 0.000 0.314 549 W C -1.983 174.553 176.519 0.028 0.000 1.062 549 W CA -2.242 55.131 57.345 0.046 0.000 1.211 549 W CB 1.245 30.834 29.460 0.214 0.000 1.305 549 W HN 0.330 nan 8.180 nan 0.000 0.476 550 P HA -0.002 nan 4.420 nan 0.000 0.272 550 P C 0.848 178.271 177.300 0.205 0.000 1.240 550 P CA 0.055 63.249 63.100 0.156 0.000 0.791 550 P CB 1.005 32.786 31.700 0.136 0.000 0.978 551 S N 0.288 116.055 115.700 0.111 0.000 2.442 551 S HA -0.211 4.259 4.470 -0.001 0.000 0.236 551 S C 1.337 175.969 174.600 0.052 0.000 1.007 551 S CA 0.818 59.051 58.200 0.056 0.000 0.965 551 S CB -0.930 62.284 63.200 0.024 0.000 0.773 551 S HN 0.438 nan 8.310 nan 0.000 0.504 552 Q N 0.126 119.977 119.800 0.085 0.000 2.488 552 Q HA 0.152 4.491 4.340 -0.001 0.000 0.211 552 Q C -0.644 175.286 176.000 -0.116 0.000 0.967 552 Q CA 0.532 56.327 55.803 -0.012 0.000 0.926 552 Q CB -1.248 27.462 28.738 -0.046 0.000 0.992 552 Q HN 0.733 nan 8.270 nan 0.000 0.506 553 Y N 0.934 121.238 120.300 0.006 0.000 2.491 553 Y HA 0.349 4.898 4.550 -0.001 0.000 0.334 553 Y C 0.299 176.198 175.900 -0.002 0.000 0.969 553 Y CA -1.199 56.884 58.100 -0.028 0.000 1.241 553 Y CB 1.223 39.609 38.460 -0.124 0.000 1.105 553 Y HN -0.095 nan 8.280 nan 0.000 0.503 554 S N 2.715 118.512 115.700 0.163 0.000 2.552 554 S HA -0.062 4.408 4.470 -0.001 0.000 0.289 554 S C 1.226 175.831 174.600 0.009 0.000 1.304 554 S CA -0.299 57.919 58.200 0.029 0.000 1.063 554 S CB 0.364 63.582 63.200 0.030 0.000 0.848 554 S HN 0.689 nan 8.310 nan 0.000 0.499 555 H N 3.888 122.930 119.070 -0.047 0.000 2.423 555 H HA -0.036 4.520 4.556 -0.001 0.000 0.297 555 H C 2.056 177.319 175.328 -0.108 0.000 1.075 555 H CA 1.509 57.478 56.048 -0.132 0.000 1.342 555 H CB -0.582 29.162 29.762 -0.030 0.000 1.395 555 H HN 0.456 nan 8.280 nan 0.000 0.530 556 V N 0.382 120.325 119.914 0.049 0.000 2.255 556 V HA -0.262 3.857 4.120 -0.001 0.000 0.247 556 V C 2.416 178.454 176.094 -0.092 0.000 1.051 556 V CA 2.355 64.648 62.300 -0.012 0.000 1.018 556 V CB -0.818 30.995 31.823 -0.017 0.000 0.641 556 V HN 0.449 nan 8.190 nan 0.000 0.445 557 T N -1.632 112.822 114.554 -0.166 0.000 2.737 557 T HA -0.203 4.147 4.350 -0.001 0.000 0.265 557 T C 1.490 175.860 174.700 -0.550 0.000 1.038 557 T CA 1.998 63.867 62.100 -0.384 0.000 1.144 557 T CB -0.317 68.263 68.868 -0.481 0.000 0.866 557 T HN 0.606 nan 8.240 nan 0.000 0.434 558 W N 1.316 122.456 121.300 -0.266 0.000 2.630 558 W HA 0.300 4.960 4.660 -0.000 0.000 0.271 558 W C 0.932 177.261 176.519 -0.318 0.000 1.244 558 W CA -0.532 56.564 57.345 -0.414 0.000 1.353 558 W CB 0.173 28.994 29.460 -1.065 0.000 1.080 558 W HN -0.082 nan 8.180 nan 0.000 0.594 559 K N 1.474 121.825 120.400 -0.082 0.000 2.380 559 K HA 0.227 4.546 4.320 -0.001 0.000 0.267 559 K C -0.130 176.576 176.600 0.175 0.000 0.990 559 K CA 0.202 56.565 56.287 0.128 0.000 0.946 559 K CB 0.598 33.149 32.500 0.086 0.000 0.937 559 K HN -0.065 nan 8.250 nan 0.000 0.491 560 L N 0.000 121.373 121.223 0.250 0.000 2.949 560 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 560 L CA 0.000 54.957 54.840 0.195 0.000 0.813 560 L CB 0.000 42.195 42.059 0.227 0.000 0.961 560 L HN 0.000 nan 8.230 nan 0.000 0.502