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 1e0y_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 LDVPSLGGGS 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 WLPNGAHLFF SPIAKVSGED AMMQYAVTKK RCQEAGLDFI DATA SEQUENCE GEFTVGMREM 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 0.000 176.697 176.600 0.161 0.000 1.382 6 E CA 0.000 56.460 56.400 0.100 0.000 0.976 6 E CB 0.000 29.767 29.700 0.112 0.000 0.812 7 F N -0.500 119.545 119.950 0.158 0.000 2.390 7 F HA 0.724 5.251 4.527 -0.001 0.000 0.281 7 F C 2.057 177.964 175.800 0.179 0.000 1.016 7 F CA 1.799 59.907 58.000 0.179 0.000 1.286 7 F CB -0.443 nan 39.000 nan 0.000 1.134 7 F HN 1.363 nan 8.300 nan 0.000 0.597 8 R N 2.374 122.929 120.500 0.092 0.000 2.287 8 R HA 0.588 4.927 4.340 -0.001 0.000 0.316 8 R C -3.069 173.208 176.300 -0.039 0.000 1.050 8 R CA -1.748 54.357 56.100 0.009 0.000 0.983 8 R CB -0.926 nan 30.300 nan 0.000 1.140 8 R HN 0.519 nan 8.270 nan 0.000 0.528 9 P HA 0.238 nan 4.420 nan 0.000 0.276 9 P C 0.554 177.764 177.300 -0.150 0.000 1.244 9 P CA -0.561 62.432 63.100 -0.178 0.000 0.801 9 P CB 1.065 32.471 31.700 -0.491 0.000 1.006 10 L N 0.011 121.181 121.223 -0.088 0.000 2.056 10 L HA -0.016 4.324 4.340 -0.001 0.000 0.207 10 L C 0.999 177.813 176.870 -0.093 0.000 1.078 10 L CA 1.579 56.376 54.840 -0.073 0.000 0.749 10 L CB -0.581 41.452 42.059 -0.043 0.000 0.901 10 L HN 0.429 nan 8.230 nan 0.000 0.433 11 T N 0.322 114.815 114.554 -0.101 0.000 2.861 11 T HA 0.585 4.935 4.350 -0.001 0.000 0.287 11 T C -0.463 174.149 174.700 -0.147 0.000 1.003 11 T CA -0.459 61.583 62.100 -0.097 0.000 0.977 11 T CB 2.475 71.314 68.868 -0.049 0.000 0.996 11 T HN -0.112 nan 8.240 nan 0.000 0.448 12 L N 3.876 125.004 121.223 -0.159 0.000 2.334 12 L HA 0.601 4.940 4.340 -0.001 0.000 0.270 12 L C -2.013 174.789 176.870 -0.112 0.000 1.018 12 L CA -2.523 52.191 54.840 -0.210 0.000 0.811 12 L CB 1.495 43.406 42.059 -0.247 0.000 1.271 12 L HN 0.387 nan 8.230 nan 0.000 0.443 13 P HA 0.235 nan 4.420 nan 0.000 0.276 13 P C -2.662 174.598 177.300 -0.066 0.000 1.244 13 P CA -1.794 61.238 63.100 -0.114 0.000 0.801 13 P CB -0.318 31.168 31.700 -0.357 0.000 1.006 14 P HA -0.013 nan 4.420 nan 0.000 0.261 14 P C 0.116 177.402 177.300 -0.023 0.000 1.183 14 P CA 0.644 63.797 63.100 0.087 0.000 0.761 14 P CB -0.148 31.672 31.700 0.200 0.000 0.785 15 K N -0.995 119.387 120.400 -0.029 0.000 3.547 15 K HA -0.223 4.096 4.320 -0.001 0.000 0.309 15 K C 0.247 176.820 176.600 -0.044 0.000 1.324 15 K CA 0.697 56.961 56.287 -0.038 0.000 0.988 15 K CB -1.769 30.707 32.500 -0.039 0.000 1.261 15 K HN 0.246 nan 8.250 nan 0.000 0.444 16 L N 1.353 122.526 121.223 -0.084 0.000 2.350 16 L HA 0.326 4.666 4.340 -0.001 0.000 0.275 16 L C 0.549 177.391 176.870 -0.048 0.000 1.099 16 L CA 0.318 55.106 54.840 -0.086 0.000 0.808 16 L CB 1.301 43.211 42.059 -0.247 0.000 1.149 16 L HN 0.227 nan 8.230 nan 0.000 0.442 17 S N 3.318 119.025 115.700 0.012 0.000 2.713 17 S HA 0.287 4.757 4.470 -0.001 0.000 0.283 17 S C 0.879 175.508 174.600 0.048 0.000 1.161 17 S CA -0.636 57.577 58.200 0.021 0.000 0.999 17 S CB 1.000 64.226 63.200 0.044 0.000 1.039 17 S HN 0.667 nan 8.310 nan 0.000 0.548 18 L N 1.712 122.957 121.223 0.035 0.000 2.083 18 L HA -0.011 4.329 4.340 -0.001 0.000 0.209 18 L C 2.615 179.570 176.870 0.141 0.000 1.083 18 L CA 1.874 56.755 54.840 0.068 0.000 0.752 18 L CB -1.072 41.002 42.059 0.026 0.000 0.899 18 L HN 0.876 nan 8.230 nan 0.000 0.433 19 S N -0.671 115.096 115.700 0.111 0.000 2.368 19 S HA -0.179 4.291 4.470 -0.001 0.000 0.225 19 S C 1.542 176.236 174.600 0.156 0.000 1.030 19 S CA 1.320 59.593 58.200 0.122 0.000 0.999 19 S CB -0.325 62.935 63.200 0.101 0.000 0.844 19 S HN 0.533 nan 8.310 nan 0.000 0.459 20 D N 0.568 121.071 120.400 0.172 0.000 2.084 20 D HA -0.074 4.566 4.640 -0.001 0.000 0.194 20 D C 1.580 177.950 176.300 0.116 0.000 0.990 20 D CA 0.798 54.927 54.000 0.215 0.000 0.826 20 D CB -0.533 40.425 40.800 0.263 0.000 0.971 20 D HN 0.330 nan 8.370 nan 0.000 0.453 21 F N 2.036 121.976 119.950 -0.016 0.000 2.063 21 F HA -0.277 4.250 4.527 -0.001 0.000 0.298 21 F C 2.024 177.880 175.800 0.093 0.000 1.105 21 F CA 1.641 59.659 58.000 0.029 0.000 1.215 21 F CB -0.312 38.697 39.000 0.015 0.000 0.972 21 F HN -0.057 nan 8.300 nan 0.000 0.483 22 N N 0.014 118.822 118.700 0.181 0.000 2.166 22 N HA -0.182 4.557 4.740 -0.001 0.000 0.186 22 N C 2.022 177.528 175.510 -0.006 0.000 1.019 22 N CA 1.620 54.707 53.050 0.062 0.000 0.856 22 N CB -0.426 38.140 38.487 0.132 0.000 0.993 22 N HN 0.599 nan 8.380 nan 0.000 0.426 23 E N 1.262 121.472 120.200 0.017 0.000 2.077 23 E HA -0.185 4.165 4.350 -0.001 0.000 0.193 23 E C 1.616 178.139 176.600 -0.127 0.000 0.989 23 E CA 0.959 57.363 56.400 0.007 0.000 0.800 23 E CB -1.035 28.755 29.700 0.150 0.000 0.746 23 E HN 0.401 nan 8.360 nan 0.000 0.452 24 F N 1.002 120.639 119.950 -0.522 0.000 2.051 24 F HA -0.107 4.419 4.527 -0.001 0.000 0.296 24 F C 2.216 177.779 175.800 -0.394 0.000 1.122 24 F CA 1.757 59.382 58.000 -0.626 0.000 1.201 24 F CB -0.149 38.431 39.000 -0.700 0.000 0.978 24 F HN 0.133 nan 8.300 nan 0.000 0.472 25 I N 0.551 121.052 120.570 -0.115 0.000 2.208 25 I HA -0.277 3.893 4.170 -0.001 0.000 0.245 25 I C 2.324 178.326 176.117 -0.192 0.000 1.097 25 I CA 1.282 62.453 61.300 -0.216 0.000 1.363 25 I CB -1.519 36.279 38.000 -0.338 0.000 1.051 25 I HN 0.322 nan 8.210 nan 0.000 0.413 26 Q N 0.489 120.205 119.800 -0.140 0.000 2.224 26 Q HA -0.170 4.169 4.340 -0.001 0.000 0.203 26 Q C 1.785 177.713 176.000 -0.121 0.000 0.970 26 Q CA 1.217 56.962 55.803 -0.097 0.000 0.865 26 Q CB -0.306 28.404 28.738 -0.046 0.000 0.922 26 Q HN 0.528 nan 8.270 nan 0.000 0.445 27 D N 0.046 120.342 120.400 -0.173 0.000 2.103 27 D HA -0.090 4.549 4.640 -0.001 0.000 0.199 27 D C 1.920 178.076 176.300 -0.240 0.000 0.978 27 D CA 0.600 54.489 54.000 -0.185 0.000 0.829 27 D CB -0.038 40.640 40.800 -0.203 0.000 0.981 27 D HN 0.198 nan 8.370 nan 0.000 0.464 28 I N 0.911 121.264 120.570 -0.361 0.000 2.286 28 I HA -0.171 3.998 4.170 -0.001 0.000 0.248 28 I C 2.504 178.508 176.117 -0.188 0.000 1.115 28 I CA 0.762 61.867 61.300 -0.324 0.000 1.392 28 I CB -0.797 36.964 38.000 -0.399 0.000 1.065 28 I HN 0.027 nan 8.210 nan 0.000 0.418 29 I N 0.941 121.419 120.570 -0.153 0.000 2.226 29 I HA -0.324 3.846 4.170 -0.001 0.000 0.245 29 I C 3.270 179.339 176.117 -0.081 0.000 1.100 29 I CA 1.541 62.784 61.300 -0.096 0.000 1.374 29 I CB -0.670 37.288 38.000 -0.071 0.000 1.057 29 I HN 0.225 nan 8.210 nan 0.000 0.413 30 R N 1.439 121.887 120.500 -0.086 0.000 2.132 30 R HA -0.222 4.117 4.340 -0.001 0.000 0.233 30 R C 1.996 178.255 176.300 -0.069 0.000 1.125 30 R CA 2.381 58.440 56.100 -0.067 0.000 0.914 30 R CB -1.900 nan 30.300 nan 0.000 0.845 30 R HN 0.367 nan 8.270 nan 0.000 0.431 31 I N 1.022 121.539 120.570 -0.088 0.000 2.127 31 I HA -0.197 3.972 4.170 -0.001 0.000 0.241 31 I C 2.306 178.382 176.117 -0.069 0.000 1.075 31 I CA 2.118 63.370 61.300 -0.079 0.000 1.334 31 I CB -0.077 37.863 38.000 -0.099 0.000 1.040 31 I HN 0.375 nan 8.210 nan 0.000 0.405 32 V N -1.510 118.359 119.914 -0.075 0.000 3.444 32 V HA 0.581 4.701 4.120 -0.001 0.000 0.308 32 V C 0.680 176.746 176.094 -0.046 0.000 1.371 32 V CA -0.059 62.206 62.300 -0.059 0.000 1.141 32 V CB -0.970 30.813 31.823 -0.066 0.000 1.037 32 V HN 0.536 nan 8.190 nan 0.000 0.433 33 G N 1.202 109.975 108.800 -0.044 0.000 2.755 33 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.686 33 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.686 33 G C 0.464 175.346 174.900 -0.030 0.000 1.427 33 G CA 0.150 45.230 45.100 -0.032 0.000 0.873 33 G HN 1.359 nan 8.290 nan 0.000 0.580 34 S N -0.797 114.891 115.700 -0.021 0.000 2.423 34 S HA 0.141 4.610 4.470 -0.001 0.000 0.231 34 S C 2.312 176.908 174.600 -0.006 0.000 1.014 34 S CA 2.100 60.292 58.200 -0.014 0.000 0.965 34 S CB -0.374 62.822 63.200 -0.007 0.000 0.785 34 S HN 2.035 nan 8.310 nan 0.000 0.495 35 E N 2.112 122.309 120.200 -0.005 0.000 2.338 35 E HA -0.015 4.335 4.350 -0.001 0.000 0.197 35 E C 1.497 178.096 176.600 -0.001 0.000 1.007 35 E CA 1.071 57.471 56.400 0.000 0.000 0.849 35 E CB -0.706 28.994 29.700 -0.001 0.000 0.774 35 E HN 0.622 nan 8.360 nan 0.000 0.506 36 N N -0.439 118.254 118.700 -0.012 0.000 2.204 36 N HA 0.166 4.906 4.740 -0.001 0.000 0.219 36 N C -1.036 174.462 175.510 -0.021 0.000 1.151 36 N CA 0.159 53.198 53.050 -0.018 0.000 0.867 36 N CB 1.729 40.199 38.487 -0.029 0.000 1.043 36 N HN 0.215 nan 8.380 nan 0.000 0.516 37 V N 1.020 120.927 119.914 -0.012 0.000 2.419 37 V HA 0.251 4.370 4.120 -0.001 0.000 0.287 37 V C -0.260 175.847 176.094 0.022 0.000 1.017 37 V CA -0.837 61.458 62.300 -0.008 0.000 0.844 37 V CB 2.413 34.217 31.823 -0.031 0.000 1.011 37 V HN 0.029 nan 8.190 nan 0.000 0.429 38 E N 4.086 124.315 120.200 0.047 0.000 2.113 38 E HA 0.583 4.933 4.350 -0.001 0.000 0.273 38 E C -0.904 175.759 176.600 0.106 0.000 0.924 38 E CA -0.429 56.015 56.400 0.073 0.000 0.764 38 E CB 1.808 31.559 29.700 0.086 0.000 1.104 38 E HN 0.491 nan 8.360 nan 0.000 0.406 39 V N 4.842 124.829 119.914 0.122 0.000 2.953 39 V HA 0.204 4.323 4.120 -0.001 0.000 0.304 39 V C 0.246 176.432 176.094 0.153 0.000 1.073 39 V CA -0.585 61.828 62.300 0.187 0.000 1.064 39 V CB 1.343 33.306 31.823 0.233 0.000 1.047 39 V HN 0.652 nan 8.190 nan 0.000 0.478 40 I N 2.785 123.448 120.570 0.155 0.000 2.460 40 I HA 0.368 4.538 4.170 -0.001 0.000 0.277 40 I C 0.329 176.481 176.117 0.060 0.000 1.057 40 I CA 0.273 61.633 61.300 0.100 0.000 1.179 40 I CB 0.313 38.373 38.000 0.099 0.000 1.329 40 I HN 0.563 nan 8.210 nan 0.000 0.478 48 D N 2.737 123.316 120.400 0.299 0.000 2.269 48 D HA 0.185 4.824 4.640 -0.001 0.000 0.208 48 D C 1.387 177.792 176.300 0.174 0.000 0.963 48 D CA 1.725 55.948 54.000 0.370 0.000 0.864 48 D CB 0.262 41.266 40.800 0.340 0.000 0.936 48 D HN 1.141 nan 8.370 nan 0.000 0.505 49 G N 0.412 109.281 108.800 0.115 0.000 2.641 49 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.254 49 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.254 49 G C 0.283 175.209 174.900 0.044 0.000 1.315 49 G CA 0.509 45.640 45.100 0.052 0.000 0.907 49 G HN 0.529 nan 8.290 nan 0.000 0.572 50 S N -2.767 112.944 115.700 0.020 0.000 3.081 50 S HA 0.641 5.111 4.470 -0.001 0.000 0.316 50 S C 0.608 175.249 174.600 0.068 0.000 1.089 50 S CA 0.428 58.654 58.200 0.043 0.000 0.897 50 S CB 1.257 64.468 63.200 0.017 0.000 1.358 50 S HN 1.537 nan 8.310 nan 0.000 0.678 51 Y N 0.242 120.515 120.300 -0.045 0.000 2.503 51 Y HA 0.346 4.895 4.550 -0.001 0.000 0.278 51 Y C 2.738 178.594 175.900 -0.075 0.000 1.111 51 Y CA 1.285 59.357 58.100 -0.048 0.000 1.270 51 Y CB -0.242 38.191 38.460 -0.046 0.000 1.063 51 Y HN 0.638 nan 8.280 nan 0.000 0.548 52 M N -0.417 119.121 119.600 -0.103 0.000 2.501 52 M HA 0.417 4.896 4.480 -0.001 0.000 0.261 52 M C 1.155 177.372 176.300 -0.139 0.000 1.129 52 M CA 1.654 56.855 55.300 -0.164 0.000 1.126 52 M CB -1.279 nan 32.600 nan 0.000 1.359 52 M HN 0.118 nan 8.290 nan 0.000 0.471 53 K N 1.854 122.188 120.400 -0.110 0.000 2.920 53 K HA 0.617 4.937 4.320 -0.001 0.000 0.175 53 K C -3.166 173.350 176.600 -0.139 0.000 1.099 53 K CA -1.468 54.759 56.287 -0.101 0.000 0.939 53 K CB -0.641 nan 32.500 nan 0.000 1.148 53 K HN 0.483 nan 8.250 nan 0.000 0.613 54 P HA 0.084 nan 4.420 nan 0.000 0.264 54 P C 0.363 177.412 177.300 -0.419 0.000 1.193 54 P CA 0.187 63.132 63.100 -0.258 0.000 0.763 54 P CB 1.211 32.763 31.700 -0.247 0.000 0.810 55 T N 1.975 116.376 114.554 -0.255 0.000 2.900 55 T HA 0.077 4.426 4.350 -0.001 0.000 0.307 55 T C 0.456 174.995 174.700 -0.267 0.000 1.065 55 T CA 0.227 62.197 62.100 -0.217 0.000 1.105 55 T CB -0.010 68.781 68.868 -0.127 0.000 0.979 55 T HN 0.459 nan 8.240 nan 0.000 0.544 56 H N 0.487 119.588 119.070 0.052 0.000 3.078 56 H HA 0.217 4.772 4.556 -0.001 0.000 0.263 56 H C 1.719 177.109 175.328 0.103 0.000 1.177 56 H CA 0.291 56.380 56.048 0.069 0.000 1.128 56 H CB 0.757 30.562 29.762 0.072 0.000 1.623 56 H HN 0.686 nan 8.280 nan 0.000 0.592 57 T N -2.079 112.614 114.554 0.232 0.000 3.000 57 T HA 0.048 4.397 4.350 -0.001 0.000 0.248 57 T C 0.702 175.577 174.700 0.293 0.000 1.034 57 T CA 0.148 62.408 62.100 0.266 0.000 1.060 57 T CB 0.459 69.514 68.868 0.312 0.000 0.983 57 T HN 0.463 nan 8.240 nan 0.000 0.482 58 H N -0.745 118.400 119.070 0.126 0.000 2.950 58 H HA 0.559 5.114 4.556 -0.001 0.000 0.272 58 H C -2.070 173.366 175.328 0.180 0.000 1.495 58 H CA -0.669 55.467 56.048 0.147 0.000 1.183 58 H CB 0.701 30.552 29.762 0.148 0.000 1.867 58 H HN 0.059 nan 8.280 nan 0.000 0.597 59 D N 1.751 122.252 120.400 0.169 0.000 2.317 59 D HA 0.245 4.885 4.640 -0.001 0.000 0.234 59 D C -1.598 174.894 176.300 0.320 0.000 1.112 59 D CA -2.455 51.669 54.000 0.206 0.000 0.840 59 D CB 1.592 42.629 40.800 0.395 0.000 1.078 59 D HN 0.196 nan 8.370 nan 0.000 0.486 60 P HA -0.058 nan 4.420 nan 0.000 0.224 60 P C 0.142 177.583 177.300 0.236 0.000 1.157 60 P CA 0.754 64.017 63.100 0.272 0.000 0.799 60 P CB 0.276 32.086 31.700 0.183 0.000 0.809 61 H N -0.212 118.895 119.070 0.061 0.000 2.540 61 H HA 0.122 4.678 4.556 -0.001 0.000 0.264 61 H C 0.061 175.531 175.328 0.236 0.000 1.427 61 H CA -0.654 55.397 56.048 0.006 0.000 1.103 61 H CB -0.606 29.224 29.762 0.114 0.000 1.572 61 H HN 0.379 nan 8.280 nan 0.000 0.511 62 H N -0.900 118.439 119.070 0.448 0.000 2.955 62 H HA 0.073 4.628 4.556 -0.001 0.000 0.290 62 H C 1.224 176.822 175.328 0.449 0.000 1.047 62 H CA -0.493 55.829 56.048 0.457 0.000 1.484 62 H CB 0.554 30.541 29.762 0.374 0.000 1.501 62 H HN 0.134 nan 8.280 nan 0.000 0.521 63 V N 0.355 120.536 119.914 0.446 0.000 2.492 63 V HA 0.015 4.135 4.120 -0.001 0.000 0.241 63 V C 1.162 177.329 176.094 0.122 0.000 1.041 63 V CA 0.209 62.593 62.300 0.140 0.000 1.057 63 V CB -0.334 31.483 31.823 -0.011 0.000 0.711 63 V HN 0.504 nan 8.190 nan 0.000 0.468 64 M N 1.204 120.902 119.600 0.164 0.000 1.855 64 M HA 0.334 4.814 4.480 -0.001 0.000 0.221 64 M C 0.081 176.393 176.300 0.019 0.000 1.275 64 M CA -0.423 54.861 55.300 -0.027 0.000 0.937 64 M CB -0.516 31.962 32.600 -0.202 0.000 1.279 64 M HN 0.288 nan 8.290 nan 0.000 0.490 65 D N 0.927 121.267 120.400 -0.101 0.000 2.390 65 D HA -0.068 4.572 4.640 -0.001 0.000 0.236 65 D C 0.791 177.117 176.300 0.043 0.000 1.189 65 D CA 0.011 54.003 54.000 -0.013 0.000 0.887 65 D CB 0.434 41.227 40.800 -0.012 0.000 1.198 65 D HN 0.526 nan 8.370 nan 0.000 0.444 66 Q N 0.433 120.182 119.800 -0.085 0.000 2.291 66 Q HA -0.161 4.179 4.340 -0.001 0.000 0.205 66 Q C 0.488 176.470 176.000 -0.030 0.000 0.970 66 Q CA 1.129 56.812 55.803 -0.200 0.000 0.876 66 Q CB 0.232 28.692 28.738 -0.464 0.000 0.935 66 Q HN 0.488 nan 8.270 nan 0.000 0.455 67 D N -1.354 119.046 120.400 0.001 0.000 2.402 67 D HA -0.086 4.554 4.640 -0.001 0.000 0.216 67 D C 1.076 177.394 176.300 0.031 0.000 1.128 67 D CA -0.327 53.676 54.000 0.006 0.000 0.833 67 D CB -0.431 40.350 40.800 -0.033 0.000 0.971 67 D HN 0.205 nan 8.370 nan 0.000 0.503 68 Y N 1.095 121.338 120.300 -0.094 0.000 2.114 68 Y HA 0.041 4.590 4.550 -0.001 0.000 0.284 68 Y C 0.142 175.815 175.900 -0.379 0.000 1.143 68 Y CA 1.141 59.075 58.100 -0.276 0.000 1.135 68 Y CB -0.016 38.227 38.460 -0.361 0.000 0.980 68 Y HN -0.194 nan 8.280 nan 0.000 0.499 69 F N 1.095 121.113 119.950 0.114 0.000 2.325 69 F HA 0.440 4.967 4.527 -0.001 0.000 0.369 69 F C -0.681 175.140 175.800 0.035 0.000 1.095 69 F CA -0.918 57.084 58.000 0.002 0.000 1.082 69 F CB 1.121 40.137 39.000 0.026 0.000 1.289 69 F HN -0.169 nan 8.300 nan 0.000 0.462 70 L N 2.560 123.861 121.223 0.130 0.000 2.466 70 L HA 0.946 5.285 4.340 -0.001 0.000 0.258 70 L C -0.858 176.064 176.870 0.088 0.000 0.973 70 L CA -0.703 54.212 54.840 0.124 0.000 0.826 70 L CB 1.666 43.773 42.059 0.080 0.000 1.372 70 L HN 0.465 nan 8.230 nan 0.000 0.409 71 A N 1.779 124.667 122.820 0.113 0.000 2.272 71 A HA 0.606 4.926 4.320 -0.001 0.000 0.275 71 A C 0.872 178.537 177.584 0.135 0.000 1.096 71 A CA 0.268 52.382 52.037 0.127 0.000 0.822 71 A CB 0.501 19.592 19.000 0.150 0.000 1.088 71 A HN 1.163 nan 8.150 nan 0.000 0.495 72 S N -0.600 115.216 115.700 0.193 0.000 2.475 72 S HA 0.540 5.009 4.470 -0.001 0.000 0.224 72 S C 0.635 175.424 174.600 0.315 0.000 1.042 72 S CA 0.679 59.006 58.200 0.212 0.000 0.935 72 S CB -0.180 63.186 63.200 0.276 0.000 0.801 72 S HN 1.981 nan 8.310 nan 0.000 0.509 73 A N 0.088 123.087 122.820 0.298 0.000 2.602 73 A HA 0.778 5.097 4.320 -0.001 0.000 0.290 73 A C -1.906 175.773 177.584 0.159 0.000 1.114 73 A CA -0.786 51.395 52.037 0.239 0.000 0.683 73 A CB 0.785 19.925 19.000 0.234 0.000 1.281 73 A HN 0.229 nan 8.150 nan 0.000 0.416 74 I N 0.081 120.721 120.570 0.117 0.000 2.509 74 I HA 0.612 4.781 4.170 -0.001 0.000 0.293 74 I C -0.726 175.411 176.117 0.033 0.000 1.020 74 I CA -0.556 60.794 61.300 0.083 0.000 1.088 74 I CB 2.151 40.205 38.000 0.091 0.000 1.267 74 I HN 0.353 nan 8.210 nan 0.000 0.430 75 V N 4.599 124.514 119.914 0.002 0.000 2.709 75 V HA 0.779 4.899 4.120 -0.001 0.000 0.308 75 V C -0.405 175.659 176.094 -0.051 0.000 1.062 75 V CA -0.727 61.556 62.300 -0.028 0.000 0.901 75 V CB 1.944 33.742 31.823 -0.042 0.000 1.003 75 V HN 0.786 nan 8.190 nan 0.000 0.425 76 A N 6.831 129.618 122.820 -0.056 0.000 2.394 76 A HA 0.794 5.113 4.320 -0.001 0.000 0.333 76 A C -2.616 174.935 177.584 -0.055 0.000 1.397 76 A CA -1.648 50.351 52.037 -0.064 0.000 0.884 76 A CB 0.441 19.404 19.000 -0.062 0.000 1.147 76 A HN 0.553 nan 8.150 nan 0.000 0.505 77 P HA 0.112 nan 4.420 nan 0.000 0.268 77 P C 0.314 177.589 177.300 -0.043 0.000 1.205 77 P CA 0.033 63.101 63.100 -0.052 0.000 0.771 77 P CB 0.763 32.431 31.700 -0.052 0.000 0.858 78 R N 1.938 122.414 120.500 -0.039 0.000 2.200 78 R HA 0.090 4.429 4.340 -0.001 0.000 0.208 78 R C 1.143 177.427 176.300 -0.026 0.000 1.033 78 R CA 0.657 56.739 56.100 -0.030 0.000 1.000 78 R CB -0.163 30.121 30.300 -0.027 0.000 0.906 78 R HN 0.693 nan 8.270 nan 0.000 0.462 79 N N -2.741 115.942 118.700 -0.029 0.000 3.308 79 N HA 0.033 4.773 4.740 -0.001 0.000 0.276 79 N C 0.299 175.791 175.510 -0.030 0.000 1.533 79 N CA -0.659 52.376 53.050 -0.025 0.000 0.878 79 N CB 1.123 39.598 38.487 -0.021 0.000 1.566 79 N HN -0.335 nan 8.380 nan 0.000 0.546 80 V N 0.502 120.400 119.914 -0.026 0.000 2.343 80 V HA -0.214 3.906 4.120 -0.001 0.000 0.247 80 V C 2.720 178.793 176.094 -0.036 0.000 1.051 80 V CA 2.733 65.014 62.300 -0.032 0.000 1.036 80 V CB -1.276 30.529 31.823 -0.030 0.000 0.654 80 V HN 0.836 nan 8.190 nan 0.000 0.451 81 A N -0.282 122.518 122.820 -0.034 0.000 1.978 81 A HA -0.275 4.045 4.320 -0.001 0.000 0.220 81 A C 1.940 179.500 177.584 -0.040 0.000 1.170 81 A CA 2.103 54.119 52.037 -0.036 0.000 0.636 81 A CB -0.613 18.368 19.000 -0.032 0.000 0.810 81 A HN 0.553 nan 8.150 nan 0.000 0.448 82 D N -0.409 119.965 120.400 -0.043 0.000 2.144 82 D HA -0.089 4.550 4.640 -0.001 0.000 0.199 82 D C 2.015 178.282 176.300 -0.056 0.000 0.984 82 D CA 1.289 55.257 54.000 -0.053 0.000 0.834 82 D CB -0.330 40.439 40.800 -0.053 0.000 0.955 82 D HN 0.230 nan 8.370 nan 0.000 0.465 83 V N 0.687 120.572 119.914 -0.048 0.000 2.343 83 V HA -0.247 3.872 4.120 -0.001 0.000 0.247 83 V C 2.439 178.509 176.094 -0.039 0.000 1.051 83 V CA 1.536 63.809 62.300 -0.045 0.000 1.036 83 V CB -0.496 31.300 31.823 -0.044 0.000 0.654 83 V HN 0.207 nan 8.190 nan 0.000 0.451 84 Q N -0.344 119.434 119.800 -0.037 0.000 2.096 84 Q HA -0.183 4.157 4.340 -0.001 0.000 0.204 84 Q C 2.541 178.523 176.000 -0.029 0.000 0.982 84 Q CA 1.982 57.767 55.803 -0.030 0.000 0.850 84 Q CB -0.223 28.497 28.738 -0.030 0.000 0.901 84 Q HN 0.593 nan 8.270 nan 0.000 0.422 85 S N 0.541 116.216 115.700 -0.042 0.000 2.355 85 S HA -0.097 4.373 4.470 -0.001 0.000 0.222 85 S C 1.934 176.494 174.600 -0.066 0.000 1.031 85 S CA 0.893 59.063 58.200 -0.051 0.000 0.993 85 S CB -0.165 62.997 63.200 -0.064 0.000 0.859 85 S HN 0.276 nan 8.310 nan 0.000 0.453 86 I N 1.072 121.592 120.570 -0.083 0.000 2.208 86 I HA -0.157 4.013 4.170 -0.001 0.000 0.245 86 I C 2.204 178.309 176.117 -0.019 0.000 1.097 86 I CA 0.854 62.093 61.300 -0.102 0.000 1.363 86 I CB -0.470 37.471 38.000 -0.097 0.000 1.051 86 I HN 0.128 nan 8.210 nan 0.000 0.413 87 V N 1.078 120.993 119.914 0.002 0.000 2.332 87 V HA -0.256 3.864 4.120 -0.001 0.000 0.248 87 V C 2.575 178.709 176.094 0.066 0.000 1.055 87 V CA 2.304 64.628 62.300 0.040 0.000 1.038 87 V CB -1.337 30.498 31.823 0.020 0.000 0.651 87 V HN 0.598 nan 8.190 nan 0.000 0.450 88 G N -0.465 108.361 108.800 0.042 0.000 2.418 88 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.217 88 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.217 88 G C 1.569 176.533 174.900 0.108 0.000 1.158 88 G CA 1.035 46.168 45.100 0.055 0.000 0.771 88 G HN 0.475 nan 8.290 nan 0.000 0.545 89 L N 0.689 121.974 121.223 0.102 0.000 2.017 89 L HA -0.038 4.301 4.340 -0.001 0.000 0.208 89 L C 3.434 180.593 176.870 0.482 0.000 1.073 89 L CA 1.009 55.982 54.840 0.221 0.000 0.745 89 L CB -0.516 41.492 42.059 -0.085 0.000 0.894 89 L HN 0.288 nan 8.230 nan 0.000 0.432 90 A N 0.228 123.296 122.820 0.415 0.000 1.948 90 A HA -0.242 4.078 4.320 -0.001 0.000 0.220 90 A C 2.087 179.895 177.584 0.374 0.000 1.177 90 A CA 2.075 54.405 52.037 0.489 0.000 0.636 90 A CB -0.606 18.578 19.000 0.307 0.000 0.815 90 A HN 0.475 nan 8.150 nan 0.000 0.449 91 N N -0.651 118.196 118.700 0.244 0.000 2.270 91 N HA -0.103 4.637 4.740 -0.001 0.000 0.181 91 N C 1.835 177.432 175.510 0.145 0.000 1.016 91 N CA 1.276 54.427 53.050 0.168 0.000 0.870 91 N CB -0.180 38.368 38.487 0.102 0.000 0.979 91 N HN 0.452 nan 8.380 nan 0.000 0.431 92 K N 0.331 120.825 120.400 0.157 0.000 2.002 92 K HA -0.019 4.301 4.320 -0.001 0.000 0.209 92 K C 1.535 178.054 176.600 -0.135 0.000 1.048 92 K CA 0.948 57.220 56.287 -0.026 0.000 0.930 92 K CB -0.544 31.905 32.500 -0.084 0.000 0.714 92 K HN 0.225 nan 8.250 nan 0.000 0.438 93 F N 0.634 120.718 119.950 0.224 0.000 2.765 93 F HA 0.375 4.902 4.527 -0.001 0.000 0.302 93 F C 1.027 176.924 175.800 0.162 0.000 1.111 93 F CA 0.223 58.351 58.000 0.213 0.000 1.359 93 F CB 0.019 39.224 39.000 0.340 0.000 1.097 93 F HN -0.059 nan 8.300 nan 0.000 0.577 94 S N 0.801 116.679 115.700 0.297 0.000 3.766 94 S HA -0.220 4.250 4.470 -0.001 0.000 0.416 94 S C -0.618 174.137 174.600 0.258 0.000 0.902 94 S CA -0.053 58.278 58.200 0.220 0.000 1.283 94 S CB -1.591 61.682 63.200 0.122 0.000 0.891 94 S HN 0.278 nan 8.310 nan 0.000 0.556 95 F N 3.224 123.261 119.950 0.144 0.000 2.507 95 F HA 0.550 5.077 4.527 -0.001 0.000 0.328 95 F C -2.608 173.239 175.800 0.077 0.000 1.136 95 F CA -2.335 55.683 58.000 0.029 0.000 0.930 95 F CB 1.539 40.413 39.000 -0.211 0.000 1.166 95 F HN -0.023 nan 8.300 nan 0.000 0.436 96 P HA 0.326 nan 4.420 nan 0.000 0.276 96 P C -0.951 176.530 177.300 0.300 0.000 1.230 96 P CA 0.016 63.304 63.100 0.314 0.000 0.776 96 P CB 0.917 32.755 31.700 0.230 0.000 0.888 97 L N 2.340 123.678 121.223 0.192 0.000 2.330 97 L HA 0.582 4.922 4.340 -0.001 0.000 0.271 97 L C -0.208 176.784 176.870 0.204 0.000 1.013 97 L CA -0.613 54.321 54.840 0.157 0.000 0.816 97 L CB 2.162 44.269 42.059 0.080 0.000 1.287 97 L HN 0.423 nan 8.230 nan 0.000 0.435 98 W N 5.005 126.297 121.300 -0.012 0.000 2.453 98 W HA 0.351 5.010 4.660 -0.001 0.000 0.310 98 W C -2.691 173.810 176.519 -0.030 0.000 1.000 98 W CA -1.685 55.640 57.345 -0.033 0.000 1.367 98 W CB 2.214 31.662 29.460 -0.020 0.000 1.269 98 W HN 0.192 nan 8.180 nan 0.000 0.418 99 P HA 0.193 nan 4.420 nan 0.000 0.287 99 P C -0.337 176.803 177.300 -0.266 0.000 1.307 99 P CA 0.211 63.161 63.100 -0.250 0.000 0.777 99 P CB 1.242 32.796 31.700 -0.242 0.000 0.883 100 I N -0.205 120.307 120.570 -0.097 0.000 2.910 100 I HA 0.534 4.704 4.170 -0.001 0.000 0.310 100 I C 0.407 176.501 176.117 -0.040 0.000 1.043 100 I CA -0.793 60.484 61.300 -0.039 0.000 1.053 100 I CB 2.028 40.084 38.000 0.093 0.000 1.242 100 I HN -0.008 nan 8.210 nan 0.000 0.452 101 S N 2.376 118.067 115.700 -0.016 0.000 2.517 101 S HA 0.343 4.813 4.470 -0.001 0.000 0.228 101 S C 1.270 175.876 174.600 0.011 0.000 1.060 101 S CA 0.358 58.548 58.200 -0.017 0.000 0.937 101 S CB 0.253 63.442 63.200 -0.018 0.000 0.840 101 S HN 0.672 nan 8.310 nan 0.000 0.546 102 I N -0.087 120.512 120.570 0.049 0.000 4.433 102 I HA 0.256 4.426 4.170 -0.001 0.000 0.322 102 I C 1.419 177.623 176.117 0.145 0.000 1.284 102 I CA 0.869 62.219 61.300 0.084 0.000 1.269 102 I CB -0.455 37.581 38.000 0.061 0.000 1.219 102 I HN 0.469 nan 8.210 nan 0.000 0.436 103 G N 2.409 111.289 108.800 0.134 0.000 2.198 103 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.257 103 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.257 103 G C 0.686 175.652 174.900 0.111 0.000 1.042 103 G CA 0.086 45.286 45.100 0.167 0.000 0.791 103 G HN 0.367 nan 8.290 nan 0.000 0.502 104 R N -0.429 120.134 120.500 0.106 0.000 2.702 104 R HA 0.185 4.524 4.340 -0.001 0.000 0.314 104 R C 1.184 177.591 176.300 0.180 0.000 1.152 104 R CA -0.348 55.820 56.100 0.114 0.000 1.097 104 R CB -0.040 30.316 30.300 0.094 0.000 1.343 104 R HN 0.163 nan 8.270 nan 0.000 0.575 105 N N 0.610 119.408 118.700 0.163 0.000 2.416 105 N HA -0.005 4.734 4.740 -0.001 0.000 0.215 105 N C -0.730 174.868 175.510 0.147 0.000 1.208 105 N CA 0.057 53.230 53.050 0.204 0.000 0.834 105 N CB 0.165 38.781 38.487 0.214 0.000 1.072 105 N HN 0.062 nan 8.380 nan 0.000 0.472 106 S N -0.910 114.821 115.700 0.052 0.000 2.573 106 S HA 0.294 4.764 4.470 -0.001 0.000 0.297 106 S C 1.534 176.033 174.600 -0.169 0.000 1.280 106 S CA 0.399 58.526 58.200 -0.122 0.000 1.061 106 S CB 0.586 63.496 63.200 -0.483 0.000 0.812 106 S HN 0.532 nan 8.310 nan 0.000 0.500 107 G N 1.229 109.933 108.800 -0.159 0.000 2.213 107 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.236 107 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.236 107 G C 0.102 174.942 174.900 -0.100 0.000 0.991 107 G CA 0.215 45.061 45.100 -0.424 0.000 0.629 107 G HN 0.710 nan 8.290 nan 0.000 0.517 108 Y N -0.559 119.871 120.300 0.216 0.000 2.729 108 Y HA 0.480 5.030 4.550 -0.001 0.000 0.266 108 Y C 1.828 177.565 175.900 -0.271 0.000 1.064 108 Y CA 0.050 58.217 58.100 0.111 0.000 1.251 108 Y CB 0.952 39.473 38.460 0.102 0.000 1.379 108 Y HN 1.063 nan 8.280 nan 0.000 0.569 109 G N -1.085 107.624 108.800 -0.153 0.000 2.480 109 G HA2 0.140 4.099 3.960 -0.001 0.000 0.193 109 G HA3 0.140 4.099 3.960 -0.001 0.000 0.193 109 G C 0.968 175.844 174.900 -0.040 0.000 1.004 109 G CA 0.213 45.128 45.100 -0.308 0.000 0.696 109 G HN 0.989 nan 8.290 nan 0.000 0.478 110 G N 0.348 109.171 108.800 0.038 0.000 2.531 110 G HA2 0.150 4.109 3.960 -0.001 0.000 0.274 110 G HA3 0.150 4.109 3.960 -0.001 0.000 0.274 110 G C 1.356 176.323 174.900 0.113 0.000 1.159 110 G CA 2.312 47.447 45.100 0.060 0.000 0.969 110 G HN 1.910 nan 8.290 nan 0.000 0.554 111 A N 0.428 123.310 122.820 0.104 0.000 2.132 111 A HA 0.707 5.027 4.320 -0.001 0.000 0.213 111 A C 1.870 179.540 177.584 0.145 0.000 1.154 111 A CA 1.635 53.789 52.037 0.195 0.000 0.753 111 A CB -0.750 18.379 19.000 0.215 0.000 0.826 111 A HN 2.517 nan 8.150 nan 0.000 0.469 112 A N 1.212 124.031 122.820 -0.001 0.000 2.555 112 A HA 0.433 4.752 4.320 -0.001 0.000 0.233 112 A C -2.408 174.764 177.584 -0.686 0.000 1.060 112 A CA -0.509 51.437 52.037 -0.153 0.000 0.759 112 A CB -0.345 18.626 19.000 -0.049 0.000 0.995 112 A HN 0.285 nan 8.150 nan 0.000 0.506 113 P HA 0.346 nan 4.420 nan 0.000 0.288 113 P C 0.331 176.999 177.300 -1.053 0.000 1.267 113 P CA -0.597 61.601 63.100 -1.502 0.000 0.815 113 P CB 1.258 32.635 31.700 -0.539 0.000 0.989 114 R N 2.783 122.469 120.500 -1.355 0.000 2.096 114 R HA -0.012 4.328 4.340 -0.001 0.000 0.235 114 R C 0.075 176.366 176.300 -0.016 0.000 1.127 114 R CA 1.501 57.272 56.100 -0.548 0.000 0.968 114 R CB -0.821 29.223 30.300 -0.427 0.000 0.861 114 R HN 0.323 nan 8.270 nan 0.000 0.440 115 V N 1.686 121.529 119.914 -0.119 0.000 2.350 115 V HA 0.260 4.380 4.120 -0.001 0.000 0.276 115 V C -0.162 175.966 176.094 0.056 0.000 1.028 115 V CA -0.596 61.695 62.300 -0.016 0.000 0.860 115 V CB 1.340 33.013 31.823 -0.250 0.000 0.990 115 V HN 0.235 nan 8.190 nan 0.000 0.453 116 S N 3.447 119.227 115.700 0.134 0.000 2.568 116 S HA 0.426 4.896 4.470 -0.001 0.000 0.282 116 S C 1.315 175.974 174.600 0.098 0.000 1.338 116 S CA 0.772 59.014 58.200 0.069 0.000 1.045 116 S CB 0.848 64.038 63.200 -0.017 0.000 0.873 116 S HN 1.481 nan 8.310 nan 0.000 0.516 117 G N 1.881 110.731 108.800 0.083 0.000 2.213 117 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.236 117 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.236 117 G C 0.278 175.306 174.900 0.213 0.000 0.991 117 G CA 0.081 45.240 45.100 0.097 0.000 0.629 117 G HN 0.716 nan 8.290 nan 0.000 0.517 118 S N -0.695 115.130 115.700 0.208 0.000 2.596 118 S HA 0.483 4.953 4.470 -0.001 0.000 0.260 118 S C 0.605 175.388 174.600 0.305 0.000 1.336 118 S CA -0.009 58.371 58.200 0.301 0.000 0.993 118 S CB 1.886 65.216 63.200 0.216 0.000 0.923 118 S HN 0.702 nan 8.310 nan 0.000 0.567 119 V N 2.206 122.257 119.914 0.229 0.000 2.383 119 V HA 0.226 4.345 4.120 -0.001 0.000 0.275 119 V C -0.057 176.124 176.094 0.147 0.000 1.036 119 V CA -0.498 61.862 62.300 0.100 0.000 0.889 119 V CB 1.351 33.109 31.823 -0.108 0.000 0.985 119 V HN 0.616 nan 8.190 nan 0.000 0.459 120 V N 6.677 126.684 119.914 0.155 0.000 2.530 120 V HA 0.219 4.338 4.120 -0.001 0.000 0.282 120 V C 0.043 176.196 176.094 0.098 0.000 1.048 120 V CA -0.334 62.081 62.300 0.192 0.000 0.997 120 V CB 1.428 33.374 31.823 0.204 0.000 0.987 120 V HN 0.601 nan 8.190 nan 0.000 0.477 121 L N 5.163 126.431 121.223 0.075 0.000 2.270 121 L HA 0.391 4.731 4.340 -0.001 0.000 0.286 121 L C 0.307 177.153 176.870 -0.039 0.000 1.059 121 L CA 0.027 54.866 54.840 -0.003 0.000 0.839 121 L CB 0.782 42.831 42.059 -0.017 0.000 1.221 121 L HN 0.608 nan 8.230 nan 0.000 0.431 122 D N 4.863 125.214 120.400 -0.081 0.000 2.441 122 D HA -0.012 4.627 4.640 -0.001 0.000 0.243 122 D C 1.127 177.363 176.300 -0.106 0.000 1.257 122 D CA -0.017 53.890 54.000 -0.155 0.000 1.027 122 D CB 0.579 41.219 40.800 -0.268 0.000 1.084 122 D HN 0.439 nan 8.370 nan 0.000 0.514 123 M N 1.724 121.276 119.600 -0.080 0.000 2.132 123 M HA 0.000 4.480 4.480 -0.001 0.000 0.263 123 M C 2.113 178.381 176.300 -0.055 0.000 1.065 123 M CA 0.824 56.086 55.300 -0.063 0.000 1.122 123 M CB -1.154 31.410 32.600 -0.060 0.000 1.365 123 M HN 0.395 nan 8.290 nan 0.000 0.411 124 G N 0.875 109.643 108.800 -0.053 0.000 2.418 124 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.217 124 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.217 124 G C 1.600 176.482 174.900 -0.030 0.000 1.158 124 G CA 1.531 46.610 45.100 -0.035 0.000 0.771 124 G HN 0.485 nan 8.290 nan 0.000 0.545 125 K N 0.763 121.135 120.400 -0.048 0.000 2.077 125 K HA -0.186 4.134 4.320 -0.001 0.000 0.213 125 K C 1.946 178.536 176.600 -0.018 0.000 1.051 125 K CA 2.099 58.369 56.287 -0.028 0.000 0.929 125 K CB -0.188 32.286 32.500 -0.043 0.000 0.715 125 K HN 0.331 nan 8.250 nan 0.000 0.451 126 N N -0.784 117.900 118.700 -0.026 0.000 2.407 126 N HA 0.087 4.826 4.740 -0.001 0.000 0.182 126 N C -0.074 175.427 175.510 -0.015 0.000 1.079 126 N CA 0.438 53.478 53.050 -0.017 0.000 0.882 126 N CB 0.365 38.840 38.487 -0.020 0.000 1.106 126 N HN 0.215 nan 8.380 nan 0.000 0.461 127 M N 1.211 120.798 119.600 -0.021 0.000 2.852 127 M HA 0.195 4.674 4.480 -0.001 0.000 0.321 127 M C 0.406 176.694 176.300 -0.020 0.000 1.337 127 M CA 0.046 55.334 55.300 -0.019 0.000 1.406 127 M CB -0.030 32.555 32.600 -0.024 0.000 1.152 127 M HN 0.029 nan 8.290 nan 0.000 0.508 128 N N 0.306 118.998 118.700 -0.014 0.000 2.250 128 N HA 0.130 4.870 4.740 -0.001 0.000 0.190 128 N C -0.200 175.301 175.510 -0.015 0.000 1.116 128 N CA -0.125 52.919 53.050 -0.010 0.000 0.881 128 N CB 0.757 39.246 38.487 0.003 0.000 1.006 128 N HN 0.426 nan 8.380 nan 0.000 0.491 129 R N 0.979 121.468 120.500 -0.019 0.000 2.390 129 R HA 0.242 4.582 4.340 -0.001 0.000 0.291 129 R C -0.526 175.727 176.300 -0.078 0.000 1.070 129 R CA -0.384 55.700 56.100 -0.026 0.000 1.014 129 R CB 1.784 32.079 30.300 -0.008 0.000 1.007 129 R HN -0.117 nan 8.270 nan 0.000 0.466 130 V N 6.030 125.867 119.914 -0.128 0.000 2.390 130 V HA -0.030 4.090 4.120 -0.001 0.000 0.260 130 V C 1.321 177.270 176.094 -0.243 0.000 1.043 130 V CA 0.427 62.555 62.300 -0.288 0.000 1.047 130 V CB 0.166 31.634 31.823 -0.591 0.000 1.066 130 V HN 0.715 nan 8.190 nan 0.000 0.481 131 L N 3.563 124.685 121.223 -0.168 0.000 2.240 131 L HA 0.255 4.595 4.340 -0.001 0.000 0.211 131 L C 1.029 177.843 176.870 -0.094 0.000 1.106 131 L CA 0.976 55.763 54.840 -0.088 0.000 0.793 131 L CB 0.035 42.077 42.059 -0.029 0.000 0.927 131 L HN 0.639 nan 8.230 nan 0.000 0.446 132 E N -0.619 119.475 120.200 -0.176 0.000 2.400 132 E HA 0.333 4.683 4.350 -0.001 0.000 0.285 132 E C -1.815 174.634 176.600 -0.250 0.000 1.005 132 E CA -0.330 55.977 56.400 -0.156 0.000 0.816 132 E CB 2.587 32.230 29.700 -0.094 0.000 1.220 132 E HN -0.281 nan 8.360 nan 0.000 0.426 133 V N 4.460 124.244 119.914 -0.218 0.000 2.398 133 V HA 0.315 4.435 4.120 -0.001 0.000 0.282 133 V C -0.358 175.576 176.094 -0.267 0.000 1.014 133 V CA -0.863 61.297 62.300 -0.232 0.000 0.838 133 V CB 1.411 33.184 31.823 -0.083 0.000 1.018 133 V HN 0.522 nan 8.190 nan 0.000 0.432 134 N N 3.817 122.199 118.700 -0.529 0.000 2.457 134 N HA 0.264 5.003 4.740 -0.001 0.000 0.250 134 N C 0.704 176.003 175.510 -0.352 0.000 0.982 134 N CA -0.182 52.553 53.050 -0.524 0.000 0.941 134 N CB 2.257 40.161 38.487 -0.972 0.000 1.120 134 N HN 0.327 nan 8.380 nan 0.000 0.505 135 V N 4.198 124.006 119.914 -0.175 0.000 2.379 135 V HA -0.223 3.897 4.120 -0.001 0.000 0.245 135 V C 2.125 178.175 176.094 -0.073 0.000 1.044 135 V CA 2.007 64.246 62.300 -0.102 0.000 1.036 135 V CB -0.417 31.366 31.823 -0.066 0.000 0.664 135 V HN 0.776 nan 8.190 nan 0.000 0.453 136 E N 0.918 121.085 120.200 -0.054 0.000 2.208 136 E HA -0.049 4.301 4.350 -0.001 0.000 0.193 136 E C 2.102 178.705 176.600 0.005 0.000 0.988 136 E CA 1.284 57.670 56.400 -0.023 0.000 0.828 136 E CB -0.528 29.166 29.700 -0.010 0.000 0.763 136 E HN 0.482 nan 8.360 nan 0.000 0.478 137 G N 0.874 109.701 108.800 0.045 0.000 2.683 137 G HA2 0.204 4.163 3.960 -0.001 0.000 0.213 137 G HA3 0.204 4.163 3.960 -0.001 0.000 0.213 137 G C 0.783 175.787 174.900 0.175 0.000 1.142 137 G CA -0.041 45.182 45.100 0.204 0.000 0.793 137 G HN 0.614 nan 8.290 nan 0.000 0.534 138 A N -1.291 121.546 122.820 0.028 0.000 2.416 138 A HA 0.032 4.352 4.320 -0.001 0.000 0.293 138 A C 0.059 177.761 177.584 0.196 0.000 1.452 138 A CA 1.308 53.365 52.037 0.034 0.000 0.738 138 A CB -2.536 16.469 19.000 0.008 0.000 1.123 138 A HN 1.921 nan 8.150 nan 0.000 0.389 139 Y N -2.762 117.581 120.300 0.073 0.000 2.670 139 Y HA 0.735 5.284 4.550 -0.001 0.000 0.334 139 Y C -0.112 175.782 175.900 -0.011 0.000 1.185 139 Y CA -1.387 56.783 58.100 0.116 0.000 1.053 139 Y CB 0.238 38.824 38.460 0.211 0.000 1.298 139 Y HN 1.345 nan 8.280 nan 0.000 0.459 140 C N 0.142 119.510 119.300 0.114 0.000 3.171 140 C HA 0.945 5.404 4.460 -0.001 0.000 0.308 140 C C -1.406 173.509 174.990 -0.125 0.000 1.334 140 C CA -1.091 57.870 59.018 -0.095 0.000 1.473 140 C CB 1.281 28.937 27.740 -0.141 0.000 1.866 140 C HN 0.883 nan 8.230 nan 0.000 0.465 141 V N 1.748 121.519 119.914 -0.238 0.000 2.483 141 V HA 0.743 4.863 4.120 -0.001 0.000 0.297 141 V C -0.395 175.562 176.094 -0.228 0.000 1.027 141 V CA -0.250 61.853 62.300 -0.329 0.000 0.855 141 V CB 1.311 32.854 31.823 -0.467 0.000 0.995 141 V HN 0.928 nan 8.190 nan 0.000 0.424 142 V N 4.165 123.965 119.914 -0.190 0.000 2.914 142 V HA 0.538 4.657 4.120 -0.001 0.000 0.314 142 V C -0.181 175.857 176.094 -0.093 0.000 1.084 142 V CA -0.511 61.702 62.300 -0.145 0.000 0.963 142 V CB 2.619 34.346 31.823 -0.161 0.000 1.025 142 V HN 0.946 nan 8.190 nan 0.000 0.432 143 E N 4.695 124.852 120.200 -0.072 0.000 2.250 143 E HA 0.330 4.680 4.350 -0.001 0.000 0.265 143 E C -1.739 174.829 176.600 -0.054 0.000 1.033 143 E CA -1.652 54.721 56.400 -0.044 0.000 0.888 143 E CB 1.334 31.017 29.700 -0.029 0.000 1.151 143 E HN 0.419 nan 8.360 nan 0.000 0.412 144 P HA -0.190 nan 4.420 nan 0.000 0.216 144 P C 1.181 178.455 177.300 -0.044 0.000 1.157 144 P CA 1.455 64.528 63.100 -0.045 0.000 0.880 144 P CB -0.045 31.630 31.700 -0.042 0.000 0.791 145 G N -0.554 108.225 108.800 -0.035 0.000 2.559 145 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.216 145 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.216 145 G C 0.422 175.307 174.900 -0.025 0.000 1.126 145 G CA -0.017 45.069 45.100 -0.023 0.000 0.778 145 G HN 0.206 nan 8.290 nan 0.000 0.543 146 V N 2.774 122.657 119.914 -0.052 0.000 2.425 146 V HA 0.181 4.300 4.120 -0.001 0.000 0.276 146 V C 1.212 177.255 176.094 -0.086 0.000 1.017 146 V CA 0.141 62.405 62.300 -0.061 0.000 1.062 146 V CB -0.180 31.581 31.823 -0.103 0.000 0.997 146 V HN 0.426 nan 8.190 nan 0.000 0.476 147 T N 2.329 116.872 114.554 -0.018 0.000 2.771 147 T HA 0.225 4.574 4.350 -0.001 0.000 0.290 147 T C 0.958 175.638 174.700 -0.032 0.000 1.005 147 T CA -0.090 62.008 62.100 -0.003 0.000 0.944 147 T CB 0.500 69.454 68.868 0.143 0.000 1.147 147 T HN 0.374 nan 8.240 nan 0.000 0.534 148 Y N -0.520 119.854 120.300 0.124 0.000 2.200 148 Y HA -0.030 4.520 4.550 -0.001 0.000 0.290 148 Y C 2.908 178.887 175.900 0.132 0.000 1.137 148 Y CA 1.937 60.099 58.100 0.103 0.000 1.163 148 Y CB -0.927 37.589 38.460 0.093 0.000 0.988 148 Y HN 0.849 nan 8.280 nan 0.000 0.518 149 H N 0.042 119.259 119.070 0.245 0.000 2.290 149 H HA -0.165 4.390 4.556 -0.001 0.000 0.298 149 H C 1.876 177.328 175.328 0.208 0.000 1.087 149 H CA 2.130 58.307 56.048 0.215 0.000 1.291 149 H CB -0.268 29.644 29.762 0.250 0.000 1.369 149 H HN 0.170 nan 8.280 nan 0.000 0.492 150 D N -0.205 120.347 120.400 0.254 0.000 2.116 150 D HA -0.164 4.476 4.640 -0.001 0.000 0.193 150 D C 2.268 178.637 176.300 0.114 0.000 0.998 150 D CA 1.183 55.276 54.000 0.155 0.000 0.836 150 D CB -0.411 40.455 40.800 0.110 0.000 0.951 150 D HN 0.290 nan 8.370 nan 0.000 0.449 151 L N 0.238 121.514 121.223 0.089 0.000 2.109 151 L HA -0.105 4.235 4.340 -0.001 0.000 0.207 151 L C 2.216 179.154 176.870 0.114 0.000 1.086 151 L CA 1.684 56.563 54.840 0.065 0.000 0.760 151 L CB -0.669 41.392 42.059 0.003 0.000 0.910 151 L HN 0.163 nan 8.230 nan 0.000 0.437 152 H N -0.397 118.677 119.070 0.006 0.000 2.319 152 H HA -0.159 4.396 4.556 -0.001 0.000 0.299 152 H C 1.636 176.931 175.328 -0.055 0.000 1.092 152 H CA 1.873 57.891 56.048 -0.051 0.000 1.302 152 H CB 0.219 29.887 29.762 -0.156 0.000 1.373 152 H HN 0.435 nan 8.280 nan 0.000 0.497 153 N N 0.160 118.807 118.700 -0.088 0.000 2.309 153 N HA -0.161 4.578 4.740 -0.001 0.000 0.182 153 N C 1.855 177.327 175.510 -0.064 0.000 1.018 153 N CA 0.790 53.770 53.050 -0.116 0.000 0.876 153 N CB -0.554 37.925 38.487 -0.014 0.000 0.972 153 N HN 0.465 nan 8.380 nan 0.000 0.434 154 Y N 1.871 122.116 120.300 -0.093 0.000 2.200 154 Y HA -0.041 4.508 4.550 -0.001 0.000 0.290 154 Y C 2.229 178.069 175.900 -0.099 0.000 1.137 154 Y CA 1.212 59.268 58.100 -0.074 0.000 1.163 154 Y CB -0.324 38.106 38.460 -0.051 0.000 0.988 154 Y HN -0.054 nan 8.280 nan 0.000 0.518 155 L N -0.125 121.161 121.223 0.104 0.000 2.093 155 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 155 L C 2.346 179.135 176.870 -0.135 0.000 1.085 155 L CA 1.562 56.411 54.840 0.014 0.000 0.755 155 L CB -0.578 41.484 42.059 0.005 0.000 0.904 155 L HN 0.300 nan 8.230 nan 0.000 0.435 156 E N 0.435 120.494 120.200 -0.235 0.000 2.106 156 E HA -0.163 4.187 4.350 -0.001 0.000 0.192 156 E C 2.217 178.714 176.600 -0.172 0.000 0.984 156 E CA 1.172 57.438 56.400 -0.224 0.000 0.806 156 E CB -0.077 29.440 29.700 -0.305 0.000 0.750 156 E HN 0.454 nan 8.360 nan 0.000 0.458 157 A N 1.322 124.025 122.820 -0.194 0.000 2.178 157 A HA -0.132 4.188 4.320 -0.001 0.000 0.218 157 A C 1.119 178.577 177.584 -0.211 0.000 1.157 157 A CA 1.130 53.053 52.037 -0.190 0.000 0.689 157 A CB -0.293 18.576 19.000 -0.217 0.000 0.787 157 A HN 0.157 nan 8.150 nan 0.000 0.465 158 N N -1.402 117.159 118.700 -0.231 0.000 2.291 158 N HA 0.252 4.992 4.740 -0.001 0.000 0.244 158 N C 0.374 175.817 175.510 -0.113 0.000 1.216 158 N CA 0.718 53.653 53.050 -0.191 0.000 0.879 158 N CB -0.065 38.265 38.487 -0.261 0.000 1.167 158 N HN 0.575 nan 8.380 nan 0.000 0.515 159 N N 0.616 119.258 118.700 -0.098 0.000 2.716 159 N HA -0.204 4.535 4.740 -0.001 0.000 0.250 159 N C 0.687 176.175 175.510 -0.037 0.000 1.033 159 N CA 1.140 54.153 53.050 -0.061 0.000 0.727 159 N CB -2.276 nan 38.487 nan 0.000 0.950 159 N HN 0.331 nan 8.380 nan 0.000 0.541 160 L N -2.240 118.963 121.223 -0.034 0.000 2.509 160 L HA 0.120 4.460 4.340 -0.001 0.000 0.222 160 L C 3.113 180.006 176.870 0.039 0.000 1.123 160 L CA 1.115 55.957 54.840 0.003 0.000 0.856 160 L CB -0.112 41.962 42.059 0.025 0.000 0.985 160 L HN 0.716 nan 8.230 nan 0.000 0.456 161 R N 0.435 120.950 120.500 0.025 0.000 2.139 161 R HA -0.211 4.128 4.340 -0.001 0.000 0.243 161 R C 1.659 178.055 176.300 0.160 0.000 1.145 161 R CA 2.091 58.238 56.100 0.078 0.000 0.976 161 R CB -2.201 28.101 30.300 0.003 0.000 0.866 161 R HN 0.601 nan 8.270 nan 0.000 0.449 162 D N -0.241 120.216 120.400 0.096 0.000 2.349 162 D HA 0.088 4.728 4.640 -0.001 0.000 0.215 162 D C 1.904 178.234 176.300 0.049 0.000 1.016 162 D CA 1.037 55.093 54.000 0.094 0.000 0.870 162 D CB -0.015 40.814 40.800 0.048 0.000 0.917 162 D HN 0.659 nan 8.370 nan 0.000 0.524 163 K N -1.598 118.822 120.400 0.034 0.000 2.403 163 K HA 0.398 4.718 4.320 -0.001 0.000 0.199 163 K C 0.136 176.706 176.600 -0.049 0.000 1.199 163 K CA 0.016 56.288 56.287 -0.024 0.000 0.924 163 K CB 1.361 33.847 32.500 -0.023 0.000 1.137 163 K HN 0.199 nan 8.250 nan 0.000 0.510 164 L N 0.892 122.132 121.223 0.028 0.000 2.408 164 L HA 0.452 4.792 4.340 -0.001 0.000 0.268 164 L C -1.372 175.631 176.870 0.222 0.000 0.986 164 L CA -1.004 53.853 54.840 0.029 0.000 0.820 164 L CB 1.619 43.692 42.059 0.023 0.000 1.303 164 L HN -0.021 nan 8.230 nan 0.000 0.411 165 W N 2.443 123.677 121.300 -0.110 0.000 2.719 165 W HA 0.625 5.285 4.660 -0.001 0.000 0.352 165 W C -0.109 176.355 176.519 -0.091 0.000 1.085 165 W CA -0.958 56.329 57.345 -0.097 0.000 1.187 165 W CB 1.054 30.433 29.460 -0.134 0.000 1.417 165 W HN 0.206 nan 8.180 nan 0.000 0.557 166 L N 1.520 122.846 121.223 0.171 0.000 2.567 166 L HA 0.384 4.724 4.340 -0.001 0.000 0.238 166 L C 0.075 176.992 176.870 0.078 0.000 1.168 166 L CA -0.265 54.640 54.840 0.108 0.000 0.817 166 L CB 0.632 42.760 42.059 0.115 0.000 1.409 166 L HN 0.283 nan 8.230 nan 0.000 0.502 167 D N 0.548 120.987 120.400 0.065 0.000 2.602 167 D HA 0.380 5.020 4.640 -0.001 0.000 0.245 167 D C -1.302 174.981 176.300 -0.029 0.000 1.325 167 D CA -0.195 53.829 54.000 0.041 0.000 0.952 167 D CB 1.868 42.714 40.800 0.078 0.000 1.317 167 D HN 0.225 nan 8.370 nan 0.000 0.577 168 V N 1.802 121.675 119.914 -0.068 0.000 2.667 168 V HA 0.722 4.841 4.120 -0.001 0.000 0.308 168 V C -2.435 173.561 176.094 -0.163 0.000 1.048 168 V CA -1.836 60.283 62.300 -0.303 0.000 0.928 168 V CB 1.347 33.029 31.823 -0.235 0.000 1.004 168 V HN 0.346 nan 8.190 nan 0.000 0.444 169 P HA 0.273 nan 4.420 nan 0.000 0.286 169 P C 0.997 178.363 177.300 0.110 0.000 1.293 169 P CA -0.250 62.839 63.100 -0.019 0.000 0.770 169 P CB 0.512 32.190 31.700 -0.037 0.000 1.206 170 S N -1.438 114.405 115.700 0.240 0.000 2.407 170 S HA -0.120 4.350 4.470 -0.001 0.000 0.235 170 S C 1.099 175.686 174.600 -0.021 0.000 1.036 170 S CA 1.302 59.551 58.200 0.080 0.000 1.013 170 S CB -0.716 62.546 63.200 0.104 0.000 0.820 170 S HN 0.285 nan 8.310 nan 0.000 0.476 171 L N -1.730 119.481 121.223 -0.021 0.000 2.271 171 L HA 0.615 4.954 4.340 -0.001 0.000 0.265 171 L C 1.429 178.258 176.870 -0.068 0.000 1.013 171 L CA -0.512 54.298 54.840 -0.050 0.000 0.820 171 L CB 1.083 43.163 42.059 0.035 0.000 1.352 171 L HN 0.076 nan 8.230 nan 0.000 0.443 172 G N -1.065 107.638 108.800 -0.163 0.000 3.159 172 G HA2 0.116 4.075 3.960 -0.001 0.000 0.232 172 G HA3 0.116 4.075 3.960 -0.001 0.000 0.232 172 G C 1.010 176.115 174.900 0.342 0.000 1.116 172 G CA 0.537 45.599 45.100 -0.062 0.000 0.767 172 G HN 0.813 nan 8.290 nan 0.000 0.547 173 G N 0.585 109.711 108.800 0.544 0.000 2.777 173 G HA2 0.351 4.311 3.960 -0.001 0.000 0.211 173 G HA3 0.351 4.311 3.960 -0.001 0.000 0.211 173 G C 1.005 176.084 174.900 0.298 0.000 1.149 173 G CA 0.518 45.845 45.100 0.378 0.000 0.785 173 G HN 0.556 nan 8.290 nan 0.000 0.536 174 G N 0.099 109.170 108.800 0.450 0.000 2.716 174 G HA2 0.342 4.302 3.960 -0.001 0.000 0.251 174 G HA3 0.342 4.302 3.960 -0.001 0.000 0.251 174 G C 0.209 175.258 174.900 0.249 0.000 1.224 174 G CA 0.529 45.872 45.100 0.404 0.000 0.891 174 G HN 0.488 nan 8.290 nan 0.000 0.561 175 S N -1.056 114.710 115.700 0.110 0.000 2.489 175 S HA 0.260 4.729 4.470 -0.001 0.000 0.291 175 S C 1.375 175.818 174.600 -0.262 0.000 1.151 175 S CA -0.572 57.574 58.200 -0.090 0.000 1.082 175 S CB 1.648 64.832 63.200 -0.027 0.000 1.019 175 S HN 0.441 nan 8.310 nan 0.000 0.492 176 V N 4.723 124.304 119.914 -0.554 0.000 2.324 176 V HA -0.158 3.962 4.120 -0.001 0.000 0.250 176 V C 2.314 178.310 176.094 -0.164 0.000 1.060 176 V CA 2.316 64.274 62.300 -0.569 0.000 1.042 176 V CB -1.070 30.462 31.823 -0.485 0.000 0.650 176 V HN 0.892 nan 8.190 nan 0.000 0.450 177 L N 1.326 122.485 121.223 -0.107 0.000 2.102 177 L HA 0.265 4.604 4.340 -0.001 0.000 0.202 177 L C 2.328 179.214 176.870 0.027 0.000 1.076 177 L CA 2.398 57.223 54.840 -0.025 0.000 0.761 177 L CB -1.785 40.246 42.059 -0.047 0.000 0.921 177 L HN 0.169 nan 8.230 nan 0.000 0.444 178 G N 0.402 109.209 108.800 0.011 0.000 2.514 178 G HA2 -0.408 3.552 3.960 -0.001 0.000 0.217 178 G HA3 -0.408 3.552 3.960 -0.001 0.000 0.217 178 G C 1.614 176.564 174.900 0.082 0.000 1.198 178 G CA 0.973 46.091 45.100 0.030 0.000 0.780 178 G HN 0.565 nan 8.290 nan 0.000 0.565 179 N N 1.352 120.142 118.700 0.151 0.000 2.069 179 N HA -0.140 4.600 4.740 -0.001 0.000 0.191 179 N C 2.518 178.175 175.510 0.245 0.000 1.031 179 N CA 1.648 54.842 53.050 0.239 0.000 0.852 179 N CB -0.306 38.438 38.487 0.429 0.000 1.018 179 N HN 0.272 nan 8.380 nan 0.000 0.423 180 A N 0.766 123.743 122.820 0.262 0.000 1.930 180 A HA -0.083 4.236 4.320 -0.001 0.000 0.217 180 A C 2.405 180.215 177.584 0.376 0.000 1.175 180 A CA 1.777 54.016 52.037 0.337 0.000 0.627 180 A CB -0.803 18.347 19.000 0.251 0.000 0.815 180 A HN 0.306 nan 8.150 nan 0.000 0.443 181 V N -2.875 117.166 119.914 0.211 0.000 2.809 181 V HA -0.059 4.061 4.120 -0.001 0.000 0.256 181 V C 1.611 177.636 176.094 -0.115 0.000 1.080 181 V CA 1.987 64.320 62.300 0.055 0.000 1.102 181 V CB -0.587 31.246 31.823 0.017 0.000 0.705 181 V HN 0.425 nan 8.190 nan 0.000 0.475 182 E N 0.522 120.695 120.200 -0.044 0.000 2.435 182 E HA 0.078 4.428 4.350 -0.001 0.000 0.195 182 E C 0.785 177.326 176.600 -0.098 0.000 1.029 182 E CA 0.217 56.549 56.400 -0.113 0.000 0.865 182 E CB -0.025 29.636 29.700 -0.066 0.000 0.833 182 E HN 0.681 nan 8.360 nan 0.000 0.510 183 R N -0.991 119.515 120.500 0.010 0.000 3.762 183 R HA -0.113 4.226 4.340 -0.001 0.000 0.328 183 R C 0.689 177.104 176.300 0.192 0.000 1.164 183 R CA 0.383 56.547 56.100 0.107 0.000 0.861 183 R CB -2.263 28.037 30.300 -0.001 0.000 1.408 183 R HN 0.195 nan 8.270 nan 0.000 0.502 184 G N 0.202 109.076 108.800 0.124 0.000 2.684 184 G HA2 0.405 4.365 3.960 -0.001 0.000 0.255 184 G HA3 0.405 4.365 3.960 -0.001 0.000 0.255 184 G C -0.037 174.686 174.900 -0.295 0.000 1.219 184 G CA -0.205 44.912 45.100 0.028 0.000 0.901 184 G HN 0.010 nan 8.290 nan 0.000 0.548 185 V N -0.688 118.957 119.914 -0.448 0.000 2.962 185 V HA 0.859 4.979 4.120 -0.001 0.000 0.313 185 V C 0.664 176.289 176.094 -0.782 0.000 1.099 185 V CA 0.183 62.092 62.300 -0.651 0.000 0.971 185 V CB 2.129 33.642 31.823 -0.518 0.000 1.028 185 V HN 1.207 nan 8.190 nan 0.000 0.430 186 G N 0.984 109.334 108.800 -0.749 0.000 2.733 186 G HA2 0.546 4.506 3.960 -0.001 0.000 0.288 186 G HA3 0.546 4.506 3.960 -0.001 0.000 0.288 186 G C -1.037 173.328 174.900 -0.892 0.000 1.373 186 G CA -0.237 44.407 45.100 -0.760 0.000 0.895 186 G HN 0.563 nan 8.290 nan 0.000 0.479 187 Y N -0.233 120.101 120.300 0.057 0.000 2.449 187 Y HA 0.201 4.751 4.550 -0.001 0.000 0.254 187 Y C 2.196 178.165 175.900 0.115 0.000 1.140 187 Y CA 0.091 58.226 58.100 0.058 0.000 1.272 187 Y CB -0.106 38.364 38.460 0.016 0.000 1.114 187 Y HN 0.592 nan 8.280 nan 0.000 0.525 188 T N -1.833 112.822 114.554 0.169 0.000 2.833 188 T HA 0.134 4.483 4.350 -0.001 0.000 0.312 188 T C -1.708 173.033 174.700 0.068 0.000 1.085 188 T CA -1.557 60.621 62.100 0.129 0.000 0.955 188 T CB 0.548 69.454 68.868 0.064 0.000 1.353 188 T HN -0.195 nan 8.240 nan 0.000 0.544 189 P HA 0.093 nan 4.420 nan 0.000 0.237 189 P C -0.017 177.440 177.300 0.263 0.000 1.178 189 P CA 0.562 63.695 63.100 0.055 0.000 0.766 189 P CB -0.143 31.522 31.700 -0.059 0.000 0.876 190 Y N -0.888 119.408 120.300 -0.006 0.000 2.708 190 Y HA 0.384 4.934 4.550 -0.001 0.000 0.287 190 Y C 2.151 178.106 175.900 0.091 0.000 1.145 190 Y CA -0.921 57.208 58.100 0.049 0.000 1.249 190 Y CB -0.930 37.563 38.460 0.055 0.000 1.152 190 Y HN -0.062 nan 8.280 nan 0.000 0.532 191 G N -0.370 108.543 108.800 0.188 0.000 2.475 191 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.220 191 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.220 191 G C 0.783 175.746 174.900 0.104 0.000 1.125 191 G CA 0.777 45.940 45.100 0.106 0.000 0.755 191 G HN 0.260 nan 8.290 nan 0.000 0.565 192 D N 0.006 120.460 120.400 0.090 0.000 2.551 192 D HA 0.109 4.748 4.640 -0.001 0.000 0.223 192 D C 1.385 177.806 176.300 0.203 0.000 1.144 192 D CA -0.330 53.718 54.000 0.079 0.000 1.025 192 D CB -0.677 40.158 40.800 0.057 0.000 1.085 192 D HN 0.512 nan 8.370 nan 0.000 0.506 193 H N 1.393 120.507 119.070 0.074 0.000 2.272 193 H HA -0.237 4.319 4.556 -0.001 0.000 0.289 193 H C 1.814 177.209 175.328 0.111 0.000 1.100 193 H CA 1.391 57.503 56.048 0.106 0.000 1.209 193 H CB -0.104 29.751 29.762 0.155 0.000 1.348 193 H HN 0.572 nan 8.280 nan 0.000 0.481 194 W N 1.634 123.030 121.300 0.160 0.000 2.321 194 W HA -0.259 4.401 4.660 -0.001 0.000 0.306 194 W C 1.994 178.592 176.519 0.130 0.000 1.217 194 W CA 1.131 58.535 57.345 0.098 0.000 1.257 194 W CB -0.248 29.247 29.460 0.058 0.000 1.145 194 W HN 0.196 nan 8.180 nan 0.000 0.509 195 M N 0.650 120.256 119.600 0.011 0.000 2.632 195 M HA -0.114 4.365 4.480 -0.001 0.000 0.256 195 M C 1.300 177.397 176.300 -0.339 0.000 1.080 195 M CA 1.251 56.475 55.300 -0.128 0.000 1.084 195 M CB -0.461 32.167 32.600 0.047 0.000 1.439 195 M HN -0.130 nan 8.290 nan 0.000 0.509 196 M N -1.249 118.129 119.600 -0.370 0.000 2.356 196 M HA 0.153 4.633 4.480 -0.001 0.000 0.262 196 M C 0.134 175.819 176.300 -1.025 0.000 1.097 196 M CA 0.028 54.993 55.300 -0.558 0.000 0.991 196 M CB -1.501 31.003 32.600 -0.159 0.000 1.450 196 M HN 0.315 nan 8.290 nan 0.000 0.495 197 H N -0.928 117.575 119.070 -0.945 0.000 2.607 197 H HA 0.526 5.082 4.556 -0.001 0.000 0.367 197 H C -0.526 174.195 175.328 -1.012 0.000 1.181 197 H CA -0.329 55.192 56.048 -0.878 0.000 1.402 197 H CB 1.020 30.262 29.762 -0.867 0.000 1.474 197 H HN 0.016 nan 8.280 nan 0.000 0.596 198 S N 2.173 117.354 115.700 -0.865 0.000 2.392 198 S HA 0.461 4.930 4.470 -0.001 0.000 0.246 198 S C -0.619 173.864 174.600 -0.194 0.000 0.999 198 S CA -0.022 57.778 58.200 -0.667 0.000 1.059 198 S CB -0.453 62.425 63.200 -0.537 0.000 1.194 198 S HN 1.796 nan 8.310 nan 0.000 0.421 199 G N 4.836 113.619 108.800 -0.029 0.000 2.943 199 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.250 199 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.250 199 G C -0.538 174.454 174.900 0.153 0.000 0.996 199 G CA -0.155 44.979 45.100 0.056 0.000 1.248 199 G HN 1.015 nan 8.290 nan 0.000 0.589 200 M N -0.116 119.629 119.600 0.242 0.000 2.478 200 M HA 0.806 5.285 4.480 -0.001 0.000 0.327 200 M C 0.017 176.483 176.300 0.276 0.000 1.187 200 M CA -0.936 54.487 55.300 0.205 0.000 1.022 200 M CB 1.979 34.608 32.600 0.048 0.000 1.629 200 M HN 0.286 nan 8.290 nan 0.000 0.461 201 E N 1.684 122.023 120.200 0.233 0.000 2.151 201 E HA 0.620 4.970 4.350 -0.001 0.000 0.275 201 E C -1.870 174.677 176.600 -0.089 0.000 0.936 201 E CA -0.751 55.695 56.400 0.077 0.000 0.777 201 E CB 1.735 31.514 29.700 0.132 0.000 1.108 201 E HN 0.655 nan 8.360 nan 0.000 0.401 202 V N 4.234 124.034 119.914 -0.190 0.000 2.789 202 V HA 0.324 4.443 4.120 -0.001 0.000 0.311 202 V C -0.596 175.399 176.094 -0.166 0.000 1.073 202 V CA -0.911 61.226 62.300 -0.271 0.000 0.921 202 V CB 2.160 33.614 31.823 -0.615 0.000 1.009 202 V HN 0.546 nan 8.190 nan 0.000 0.426 203 V N 5.521 125.362 119.914 -0.122 0.000 2.350 203 V HA 0.410 4.530 4.120 -0.001 0.000 0.276 203 V C 0.217 176.285 176.094 -0.044 0.000 1.028 203 V CA -0.295 61.962 62.300 -0.072 0.000 0.860 203 V CB 1.199 32.989 31.823 -0.054 0.000 0.990 203 V HN 0.602 nan 8.190 nan 0.000 0.453 204 L N 3.420 124.633 121.223 -0.017 0.000 2.479 204 L HA 0.369 4.709 4.340 -0.001 0.000 0.248 204 L C 1.926 178.807 176.870 0.019 0.000 1.205 204 L CA 0.037 54.893 54.840 0.026 0.000 0.817 204 L CB 0.385 42.468 42.059 0.040 0.000 1.162 204 L HN 0.699 nan 8.230 nan 0.000 0.486 205 A N 0.879 123.715 122.820 0.027 0.000 1.933 205 A HA -0.189 4.131 4.320 -0.001 0.000 0.218 205 A C 1.799 179.399 177.584 0.027 0.000 1.175 205 A CA 1.806 53.858 52.037 0.024 0.000 0.628 205 A CB -0.822 18.192 19.000 0.023 0.000 0.814 205 A HN 0.946 nan 8.150 nan 0.000 0.444 206 N N -1.165 117.549 118.700 0.022 0.000 2.396 206 N HA 0.175 4.915 4.740 -0.001 0.000 0.180 206 N C 1.159 176.677 175.510 0.014 0.000 1.028 206 N CA 1.925 54.987 53.050 0.019 0.000 0.893 206 N CB -0.505 37.991 38.487 0.015 0.000 0.967 206 N HN 0.876 nan 8.380 nan 0.000 0.440 207 G N -0.964 107.841 108.800 0.008 0.000 2.211 207 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.201 207 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.201 207 G C -0.540 174.352 174.900 -0.012 0.000 0.997 207 G CA -0.031 45.068 45.100 -0.002 0.000 0.652 207 G HN 0.473 nan 8.290 nan 0.000 0.500 208 E N 0.251 120.445 120.200 -0.010 0.000 2.373 208 E HA 0.528 4.878 4.350 -0.001 0.000 0.267 208 E C 0.285 176.866 176.600 -0.031 0.000 1.032 208 E CA -0.330 56.059 56.400 -0.018 0.000 0.889 208 E CB 1.302 30.996 29.700 -0.009 0.000 0.984 208 E HN 0.293 nan 8.360 nan 0.000 0.425 209 L N 3.615 124.810 121.223 -0.046 0.000 2.305 209 L HA 0.370 4.709 4.340 -0.001 0.000 0.281 209 L C -0.470 176.356 176.870 -0.072 0.000 1.085 209 L CA -0.261 54.538 54.840 -0.068 0.000 0.813 209 L CB 0.568 42.578 42.059 -0.082 0.000 1.157 209 L HN 0.376 nan 8.230 nan 0.000 0.436 210 L N 4.163 125.332 121.223 -0.090 0.000 2.401 210 L HA 0.634 4.974 4.340 -0.001 0.000 0.266 210 L C -1.142 175.665 176.870 -0.104 0.000 0.991 210 L CA -0.653 54.142 54.840 -0.076 0.000 0.818 210 L CB 1.483 43.521 42.059 -0.035 0.000 1.321 210 L HN 0.517 nan 8.230 nan 0.000 0.413 211 R N 2.103 122.553 120.500 -0.084 0.000 2.599 211 R HA 0.507 4.847 4.340 -0.001 0.000 0.295 211 R C -0.499 175.835 176.300 0.056 0.000 0.963 211 R CA -0.608 55.455 56.100 -0.063 0.000 0.883 211 R CB 1.667 31.819 30.300 -0.248 0.000 1.171 211 R HN 0.792 nan 8.270 nan 0.000 0.450 212 T N -1.900 112.743 114.554 0.148 0.000 2.897 212 T HA 0.580 4.930 4.350 -0.001 0.000 0.278 212 T C 1.057 175.885 174.700 0.214 0.000 0.981 212 T CA 0.315 62.527 62.100 0.186 0.000 0.973 212 T CB 1.564 70.562 68.868 0.216 0.000 1.092 212 T HN 0.734 nan 8.240 nan 0.000 0.543 213 G N 1.293 110.233 108.800 0.232 0.000 2.660 213 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.321 213 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.321 213 G C 0.904 175.908 174.900 0.172 0.000 1.246 213 G CA 0.643 45.862 45.100 0.199 0.000 1.000 213 G HN 0.800 nan 8.290 nan 0.000 0.550 214 M N 2.323 122.011 119.600 0.147 0.000 2.561 214 M HA 0.166 4.645 4.480 -0.001 0.000 0.238 214 M C 2.490 178.869 176.300 0.132 0.000 1.131 214 M CA 1.262 56.647 55.300 0.141 0.000 1.046 214 M CB -0.328 32.357 32.600 0.141 0.000 1.532 214 M HN 0.631 nan 8.290 nan 0.000 0.497 215 G N 0.026 108.940 108.800 0.189 0.000 2.650 215 G HA2 0.105 4.064 3.960 -0.001 0.000 0.214 215 G HA3 0.105 4.064 3.960 -0.001 0.000 0.214 215 G C 1.435 176.368 174.900 0.055 0.000 1.136 215 G CA 0.782 46.050 45.100 0.279 0.000 0.789 215 G HN 0.515 nan 8.290 nan 0.000 0.536 216 A N -0.313 122.551 122.820 0.074 0.000 2.132 216 A HA 0.389 4.709 4.320 -0.001 0.000 0.213 216 A C 1.031 178.631 177.584 0.027 0.000 1.154 216 A CA -0.050 52.010 52.037 0.037 0.000 0.753 216 A CB 0.033 19.080 19.000 0.077 0.000 0.826 216 A HN 0.306 nan 8.150 nan 0.000 0.469 217 L N 2.583 123.833 121.223 0.045 0.000 2.278 217 L HA 0.309 4.649 4.340 -0.001 0.000 0.287 217 L C -2.531 174.346 176.870 0.012 0.000 1.072 217 L CA -1.755 53.104 54.840 0.032 0.000 0.819 217 L CB 0.977 43.065 42.059 0.048 0.000 1.176 217 L HN 0.060 nan 8.230 nan 0.000 0.435 218 P HA 0.094 nan 4.420 nan 0.000 0.275 218 P C -0.801 176.496 177.300 -0.004 0.000 1.227 218 P CA -0.455 62.631 63.100 -0.023 0.000 0.781 218 P CB 1.051 32.733 31.700 -0.031 0.000 0.906 219 D N 3.686 124.087 120.400 0.001 0.000 2.424 219 D HA 0.156 4.795 4.640 -0.001 0.000 0.244 219 D C -1.896 174.410 176.300 0.009 0.000 1.134 219 D CA -1.189 52.825 54.000 0.023 0.000 0.881 219 D CB -0.306 40.522 40.800 0.047 0.000 1.191 219 D HN 0.198 nan 8.370 nan 0.000 0.445 220 P HA 0.056 nan 4.420 nan 0.000 0.269 220 P C -0.810 176.493 177.300 0.005 0.000 1.209 220 P CA -0.398 62.705 63.100 0.005 0.000 0.776 220 P CB 0.403 32.106 31.700 0.006 0.000 0.876 221 K N 2.597 122.997 120.400 -0.000 0.000 2.484 221 K HA 0.137 4.457 4.320 -0.001 0.000 0.280 221 K C 0.604 177.206 176.600 0.003 0.000 1.013 221 K CA 0.048 56.334 56.287 -0.001 0.000 1.029 221 K CB -0.540 31.957 32.500 -0.004 0.000 0.902 221 K HN 0.740 nan 8.250 nan 0.000 0.481 222 R N 1.792 122.294 120.500 0.004 0.000 2.680 222 R HA 0.362 4.701 4.340 -0.001 0.000 0.269 222 R C -2.669 173.635 176.300 0.005 0.000 1.026 222 R CA -1.879 54.225 56.100 0.006 0.000 0.889 222 R CB 1.089 31.396 30.300 0.011 0.000 1.241 222 R HN 0.258 nan 8.270 nan 0.000 0.463 223 P HA -0.191 nan 4.420 nan 0.000 0.215 223 P C 0.297 177.601 177.300 0.006 0.000 1.157 223 P CA 1.381 64.483 63.100 0.004 0.000 0.874 223 P CB 0.211 31.913 31.700 0.004 0.000 0.790 224 E N -1.089 119.116 120.200 0.009 0.000 2.265 224 E HA -0.114 4.236 4.350 -0.001 0.000 0.196 224 E C 1.652 178.259 176.600 0.012 0.000 0.996 224 E CA 1.736 58.143 56.400 0.011 0.000 0.832 224 E CB -1.316 28.393 29.700 0.015 0.000 0.756 224 E HN 0.431 nan 8.360 nan 0.000 0.491 225 T N -2.628 111.932 114.554 0.010 0.000 3.054 225 T HA 0.215 4.564 4.350 -0.001 0.000 0.255 225 T C 0.629 175.329 174.700 0.000 0.000 1.035 225 T CA -0.429 61.676 62.100 0.008 0.000 0.941 225 T CB 0.061 68.936 68.868 0.011 0.000 1.026 225 T HN -0.160 nan 8.240 nan 0.000 0.533 226 M N 2.000 121.599 119.600 -0.001 0.000 2.248 226 M HA 0.339 4.819 4.480 -0.001 0.000 0.345 226 M C 1.777 178.073 176.300 -0.007 0.000 1.243 226 M CA 1.026 56.323 55.300 -0.005 0.000 1.090 226 M CB -0.704 31.894 32.600 -0.004 0.000 1.683 226 M HN 0.609 nan 8.290 nan 0.000 0.450 227 G N 2.807 111.600 108.800 -0.010 0.000 2.155 227 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.257 227 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.257 227 G C 0.036 174.928 174.900 -0.014 0.000 0.983 227 G CA -0.061 45.032 45.100 -0.012 0.000 0.676 227 G HN 0.604 nan 8.290 nan 0.000 0.528 228 L N 0.586 121.800 121.223 -0.015 0.000 2.380 228 L HA 0.316 4.656 4.340 -0.001 0.000 0.273 228 L C 1.272 178.126 176.870 -0.026 0.000 1.138 228 L CA -0.534 54.296 54.840 -0.017 0.000 0.832 228 L CB 0.634 42.685 42.059 -0.014 0.000 1.124 228 L HN 0.055 nan 8.230 nan 0.000 0.454 229 K N 3.473 123.857 120.400 -0.026 0.000 2.440 229 K HA 0.013 4.333 4.320 -0.001 0.000 0.270 229 K C -1.561 175.009 176.600 -0.050 0.000 0.980 229 K CA -1.204 55.062 56.287 -0.035 0.000 0.953 229 K CB 0.363 32.844 32.500 -0.031 0.000 0.925 229 K HN 0.291 nan 8.250 nan 0.000 0.497 230 P HA -0.275 nan 4.420 nan 0.000 0.215 230 P C 1.122 178.352 177.300 -0.116 0.000 1.157 230 P CA 1.483 64.526 63.100 -0.094 0.000 0.874 230 P CB 0.070 31.716 31.700 -0.090 0.000 0.790 231 E N -0.145 120.002 120.200 -0.088 0.000 2.130 231 E HA -0.227 4.123 4.350 -0.001 0.000 0.196 231 E C 0.757 177.325 176.600 -0.054 0.000 0.998 231 E CA 1.575 57.929 56.400 -0.077 0.000 0.806 231 E CB -1.263 28.409 29.700 -0.047 0.000 0.738 231 E HN 0.291 nan 8.360 nan 0.000 0.459 232 D N 1.066 121.442 120.400 -0.040 0.000 2.340 232 D HA 0.055 4.695 4.640 -0.001 0.000 0.220 232 D C 0.213 176.506 176.300 -0.013 0.000 1.039 232 D CA 0.182 54.175 54.000 -0.011 0.000 0.866 232 D CB 0.099 40.896 40.800 -0.005 0.000 0.913 232 D HN 0.332 nan 8.370 nan 0.000 0.523 233 Q N 1.491 121.255 119.800 -0.059 0.000 2.306 233 Q HA 0.264 4.604 4.340 -0.001 0.000 0.241 233 Q C -1.997 173.981 176.000 -0.037 0.000 0.948 233 Q CA -1.503 54.265 55.803 -0.058 0.000 0.886 233 Q CB 0.719 29.392 28.738 -0.107 0.000 1.227 233 Q HN 0.061 nan 8.270 nan 0.000 0.457 234 P HA 0.053 nan 4.420 nan 0.000 0.274 234 P C -1.246 176.123 177.300 0.115 0.000 1.260 234 P CA -0.144 63.052 63.100 0.160 0.000 0.793 234 P CB 0.509 32.293 31.700 0.140 0.000 1.048 235 W N -0.466 120.871 121.300 0.061 0.000 2.578 235 W HA 0.402 5.062 4.660 -0.001 0.000 0.353 235 W C 0.659 177.180 176.519 0.004 0.000 1.088 235 W CA -0.242 57.117 57.345 0.025 0.000 1.235 235 W CB 0.448 29.929 29.460 0.035 0.000 1.362 235 W HN 0.290 nan 8.180 nan 0.000 0.592 236 S N 0.975 116.791 115.700 0.192 0.000 2.592 236 S HA 0.163 4.632 4.470 -0.001 0.000 0.271 236 S C 1.097 175.752 174.600 0.093 0.000 1.326 236 S CA -0.420 57.845 58.200 0.109 0.000 1.024 236 S CB 1.078 64.316 63.200 0.064 0.000 0.921 236 S HN 0.616 nan 8.310 nan 0.000 0.527 237 K N 1.322 121.764 120.400 0.071 0.000 2.052 237 K HA -0.196 4.123 4.320 -0.001 0.000 0.215 237 K C 1.545 178.154 176.600 0.014 0.000 1.053 237 K CA 1.753 58.075 56.287 0.059 0.000 0.934 237 K CB -0.807 31.721 32.500 0.048 0.000 0.717 237 K HN 0.582 nan 8.250 nan 0.000 0.450 238 I N 1.684 122.254 120.570 0.000 0.000 2.756 238 I HA -0.092 4.078 4.170 -0.001 0.000 0.262 238 I C 2.621 178.694 176.117 -0.074 0.000 1.225 238 I CA 0.855 62.145 61.300 -0.017 0.000 1.472 238 I CB -1.820 36.192 38.000 0.020 0.000 1.094 238 I HN 0.271 nan 8.210 nan 0.000 0.454 239 A N 1.643 124.382 122.820 -0.136 0.000 1.900 239 A HA -0.283 4.036 4.320 -0.001 0.000 0.225 239 A C 1.702 178.925 177.584 -0.601 0.000 1.414 239 A CA 2.479 54.316 52.037 -0.334 0.000 0.702 239 A CB -1.634 17.071 19.000 -0.492 0.000 0.845 239 A HN 0.652 nan 8.150 nan 0.000 0.478 240 H N -1.257 117.592 119.070 -0.368 0.000 2.605 240 H HA 0.542 5.098 4.556 -0.001 0.000 0.308 240 H C 0.670 175.831 175.328 -0.279 0.000 1.080 240 H CA 0.093 55.824 56.048 -0.529 0.000 1.119 240 H CB 0.049 29.123 29.762 -1.146 0.000 1.479 240 H HN 0.403 nan 8.280 nan 0.000 0.537 241 L N -1.045 120.160 121.223 -0.030 0.000 2.993 241 L HA 0.252 4.592 4.340 -0.001 0.000 0.264 241 L C -0.546 176.427 176.870 0.171 0.000 1.154 241 L CA -0.107 54.764 54.840 0.050 0.000 0.972 241 L CB 0.977 43.011 42.059 -0.042 0.000 1.373 241 L HN 0.128 nan 8.230 nan 0.000 0.564 242 F N 2.247 122.188 119.950 -0.016 0.000 2.730 242 F HA 0.459 4.986 4.527 -0.001 0.000 0.335 242 F C -2.251 173.475 175.800 -0.123 0.000 1.212 242 F CA -2.047 55.899 58.000 -0.090 0.000 1.016 242 F CB 1.841 40.770 39.000 -0.118 0.000 1.290 242 F HN -0.264 nan 8.300 nan 0.000 0.495 243 P HA -0.175 nan 4.420 nan 0.000 0.219 243 P C 1.024 178.043 177.300 -0.468 0.000 1.150 243 P CA 1.432 64.248 63.100 -0.473 0.000 0.814 243 P CB 0.132 31.492 31.700 -0.566 0.000 0.787 244 Y N 0.475 120.124 120.300 -1.086 0.000 2.314 244 Y HA 0.121 4.670 4.550 -0.001 0.000 0.293 244 Y C 2.315 178.011 175.900 -0.341 0.000 1.129 244 Y CA 0.170 57.694 58.100 -0.960 0.000 1.201 244 Y CB -1.608 36.173 38.460 -1.131 0.000 0.999 244 Y HN 0.070 nan 8.280 nan 0.000 0.541 245 G N 0.665 109.487 108.800 0.036 0.000 2.614 245 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.303 245 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.303 245 G C -0.409 174.711 174.900 0.366 0.000 1.270 245 G CA 0.552 45.817 45.100 0.274 0.000 0.988 245 G HN 0.387 nan 8.290 nan 0.000 0.551 246 F N 0.952 120.988 119.950 0.143 0.000 2.577 246 F HA 0.627 5.154 4.527 -0.001 0.000 0.318 246 F C 0.769 176.626 175.800 0.095 0.000 1.065 246 F CA 1.348 59.419 58.000 0.118 0.000 0.929 246 F CB 1.564 40.626 39.000 0.103 0.000 1.237 246 F HN 2.311 nan 8.300 nan 0.000 0.468 247 G N 3.605 111.957 108.800 -0.746 0.000 2.681 247 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.220 247 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.220 247 G C -2.819 171.977 174.900 -0.173 0.000 1.353 247 G CA -0.747 44.049 45.100 -0.506 0.000 0.872 247 G HN 0.688 nan 8.290 nan 0.000 0.557 248 P HA 0.309 nan 4.420 nan 0.000 0.264 248 P C -0.712 176.649 177.300 0.103 0.000 1.193 248 P CA 0.118 63.219 63.100 0.002 0.000 0.763 248 P CB 0.230 31.933 31.700 0.005 0.000 0.810 249 Y N 4.704 124.983 120.300 -0.036 0.000 2.650 249 Y HA 0.250 4.799 4.550 -0.001 0.000 0.343 249 Y C 1.165 177.106 175.900 0.069 0.000 1.078 249 Y CA -1.019 57.092 58.100 0.018 0.000 1.356 249 Y CB -0.330 38.105 38.460 -0.043 0.000 1.204 249 Y HN 0.358 nan 8.280 nan 0.000 0.508 250 I N -0.150 120.406 120.570 -0.024 0.000 3.684 250 I HA 0.091 4.261 4.170 -0.001 0.000 0.304 250 I C 0.730 176.822 176.117 -0.042 0.000 1.278 250 I CA 0.447 61.719 61.300 -0.047 0.000 1.272 250 I CB 0.099 38.137 38.000 0.064 0.000 1.029 250 I HN 0.249 nan 8.210 nan 0.000 0.458 251 D N 2.579 122.894 120.400 -0.143 0.000 2.149 251 D HA -0.140 4.499 4.640 -0.001 0.000 0.198 251 D C 2.343 178.763 176.300 0.200 0.000 0.990 251 D CA 1.721 55.795 54.000 0.125 0.000 0.839 251 D CB -0.534 40.337 40.800 0.117 0.000 0.948 251 D HN 0.530 nan 8.370 nan 0.000 0.460 252 G N 0.407 109.211 108.800 0.008 0.000 2.498 252 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.219 252 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.219 252 G C 1.391 176.130 174.900 -0.267 0.000 1.119 252 G CA 0.142 45.189 45.100 -0.088 0.000 0.766 252 G HN 0.286 nan 8.290 nan 0.000 0.552 253 L N -0.839 120.176 121.223 -0.347 0.000 2.551 253 L HA 0.174 4.514 4.340 -0.001 0.000 0.228 253 L C 1.344 177.791 176.870 -0.705 0.000 1.153 253 L CA 0.277 54.790 54.840 -0.544 0.000 0.851 253 L CB -0.171 41.471 42.059 -0.696 0.000 0.959 253 L HN 0.116 nan 8.230 nan 0.000 0.451 254 F N -0.714 119.132 119.950 -0.172 0.000 2.653 254 F HA 0.144 4.671 4.527 -0.001 0.000 0.304 254 F C 1.188 176.813 175.800 -0.293 0.000 1.092 254 F CA -0.622 57.276 58.000 -0.170 0.000 1.279 254 F CB 0.080 39.041 39.000 -0.065 0.000 1.044 254 F HN -0.066 nan 8.300 nan 0.000 0.564 255 S N -0.641 114.823 115.700 -0.394 0.000 2.503 255 S HA 0.353 4.823 4.470 -0.001 0.000 0.301 255 S C 0.057 174.390 174.600 -0.444 0.000 1.087 255 S CA -0.581 57.249 58.200 -0.616 0.000 1.042 255 S CB 1.669 64.028 63.200 -1.401 0.000 1.043 255 S HN 0.293 nan 8.310 nan 0.000 0.489 256 Q N 0.429 120.013 119.800 -0.360 0.000 2.416 256 Q HA -0.199 4.141 4.340 -0.001 0.000 0.319 256 Q C -0.108 175.732 176.000 -0.266 0.000 1.318 256 Q CA 1.043 56.667 55.803 -0.298 0.000 0.915 256 Q CB -2.101 26.457 28.738 -0.301 0.000 1.184 256 Q HN 1.054 nan 8.270 nan 0.000 0.444 257 S N -1.256 114.288 115.700 -0.261 0.000 2.671 257 S HA 0.604 5.074 4.470 -0.001 0.000 0.277 257 S C -0.076 174.375 174.600 -0.247 0.000 1.165 257 S CA -0.477 57.573 58.200 -0.250 0.000 0.822 257 S CB 1.161 64.202 63.200 -0.265 0.000 1.150 257 S HN 0.298 nan 8.310 nan 0.000 0.479 258 N N 0.008 118.566 118.700 -0.237 0.000 2.273 258 N HA 0.219 4.959 4.740 -0.001 0.000 0.231 258 N C 0.822 176.241 175.510 -0.151 0.000 1.134 258 N CA -0.377 52.541 53.050 -0.219 0.000 0.856 258 N CB -0.079 38.267 38.487 -0.236 0.000 1.068 258 N HN 0.422 nan 8.380 nan 0.000 0.510 259 M N -0.356 119.161 119.600 -0.139 0.000 2.394 259 M HA 0.238 4.718 4.480 -0.001 0.000 0.264 259 M C 0.829 177.197 176.300 0.115 0.000 1.073 259 M CA 0.499 55.741 55.300 -0.097 0.000 1.111 259 M CB -0.701 31.687 32.600 -0.352 0.000 1.401 259 M HN 0.375 nan 8.290 nan 0.000 0.448 260 G N -0.198 108.706 108.800 0.172 0.000 2.488 260 G HA2 0.541 4.501 3.960 -0.001 0.000 0.301 260 G HA3 0.541 4.501 3.960 -0.001 0.000 0.301 260 G C -1.650 173.256 174.900 0.010 0.000 1.339 260 G CA -0.862 44.319 45.100 0.134 0.000 0.803 260 G HN 0.114 nan 8.290 nan 0.000 0.482 261 I N 0.979 121.520 120.570 -0.048 0.000 2.330 261 I HA 0.343 4.513 4.170 -0.001 0.000 0.289 261 I C 0.004 176.056 176.117 -0.108 0.000 1.001 261 I CA -0.856 60.394 61.300 -0.084 0.000 1.193 261 I CB 1.845 39.800 38.000 -0.074 0.000 1.345 261 I HN 0.131 nan 8.210 nan 0.000 0.461 262 V N 5.765 125.616 119.914 -0.105 0.000 2.455 262 V HA 0.088 4.208 4.120 -0.001 0.000 0.273 262 V C 1.217 177.269 176.094 -0.070 0.000 1.045 262 V CA 0.171 62.409 62.300 -0.104 0.000 0.976 262 V CB 0.959 32.737 31.823 -0.075 0.000 0.993 262 V HN 0.949 nan 8.190 nan 0.000 0.475 263 T N 1.505 116.026 114.554 -0.056 0.000 2.990 263 T HA 0.327 4.677 4.350 -0.001 0.000 0.249 263 T C 0.400 175.105 174.700 0.008 0.000 1.039 263 T CA -0.002 62.082 62.100 -0.027 0.000 1.036 263 T CB 0.325 69.179 68.868 -0.023 0.000 0.994 263 T HN 0.560 nan 8.240 nan 0.000 0.489 264 K N -0.093 120.329 120.400 0.037 0.000 2.568 264 K HA 0.741 5.061 4.320 -0.001 0.000 0.273 264 K C -1.913 174.715 176.600 0.047 0.000 0.951 264 K CA -0.745 55.582 56.287 0.067 0.000 0.854 264 K CB 2.817 35.441 32.500 0.208 0.000 1.424 264 K HN 0.159 nan 8.250 nan 0.000 0.427 265 I N -0.107 120.439 120.570 -0.039 0.000 2.908 265 I HA 0.501 4.670 4.170 -0.001 0.000 0.300 265 I C -1.269 174.713 176.117 -0.226 0.000 1.385 265 I CA -0.548 60.697 61.300 -0.091 0.000 1.004 265 I CB 2.270 40.234 38.000 -0.059 0.000 1.309 265 I HN 0.745 nan 8.210 nan 0.000 0.449 266 G N 7.066 115.700 108.800 -0.276 0.000 2.370 266 G HA2 0.620 4.579 3.960 -0.001 0.000 0.317 266 G HA3 0.620 4.579 3.960 -0.001 0.000 0.317 266 G C -1.088 173.638 174.900 -0.289 0.000 1.162 266 G CA -0.269 44.603 45.100 -0.380 0.000 0.922 266 G HN 0.262 nan 8.290 nan 0.000 0.454 267 I N 2.270 122.725 120.570 -0.192 0.000 2.404 267 I HA 0.375 4.545 4.170 -0.001 0.000 0.293 267 I C -0.493 175.652 176.117 0.047 0.000 0.992 267 I CA -1.922 59.276 61.300 -0.169 0.000 1.149 267 I CB 1.489 39.430 38.000 -0.098 0.000 1.315 267 I HN 0.417 nan 8.210 nan 0.000 0.446 268 W N 6.417 127.733 121.300 0.026 0.000 2.216 268 W HA 0.328 4.988 4.660 -0.001 0.000 0.326 268 W C -0.123 176.550 176.519 0.257 0.000 1.319 268 W CA -0.530 56.889 57.345 0.124 0.000 1.213 268 W CB 0.078 29.562 29.460 0.041 0.000 1.171 268 W HN 0.223 nan 8.180 nan 0.000 0.557 269 L N 4.541 126.021 121.223 0.429 0.000 2.317 269 L HA 0.453 4.793 4.340 -0.001 0.000 0.281 269 L C 0.387 177.258 176.870 0.002 0.000 1.024 269 L CA -0.985 53.979 54.840 0.207 0.000 0.810 269 L CB 1.618 43.732 42.059 0.093 0.000 1.240 269 L HN 0.245 nan 8.230 nan 0.000 0.427 270 M N 5.488 124.781 119.600 -0.512 0.000 2.185 270 M HA 0.303 4.782 4.480 -0.001 0.000 0.357 270 M C -2.271 173.780 176.300 -0.415 0.000 1.260 270 M CA -1.489 53.299 55.300 -0.853 0.000 1.124 270 M CB 1.392 33.252 32.600 -1.232 0.000 1.600 270 M HN 0.223 nan 8.290 nan 0.000 0.467 271 P HA 0.021 nan 4.420 nan 0.000 0.275 271 P C -0.921 176.059 177.300 -0.534 0.000 1.228 271 P CA -0.288 62.624 63.100 -0.313 0.000 0.786 271 P CB 0.293 31.866 31.700 -0.211 0.000 0.927 272 N N 3.532 121.877 118.700 -0.592 0.000 2.365 272 N HA -0.054 4.686 4.740 -0.001 0.000 0.265 272 N C -1.214 173.948 175.510 -0.581 0.000 1.288 272 N CA -0.744 51.781 53.050 -0.875 0.000 0.869 272 N CB 0.065 38.284 38.487 -0.447 0.000 1.071 272 N HN 0.301 nan 8.380 nan 0.000 0.480 273 P HA 0.144 nan 4.420 nan 0.000 0.255 273 P C 0.107 177.313 177.300 -0.156 0.000 1.248 273 P CA 0.178 63.084 63.100 -0.324 0.000 0.807 273 P CB 0.000 31.536 31.700 -0.273 0.000 1.150 274 G N 0.016 108.726 108.800 -0.149 0.000 2.374 274 G HA2 0.135 4.095 3.960 -0.001 0.000 0.289 274 G HA3 0.135 4.095 3.960 -0.001 0.000 0.289 274 G C 0.311 175.224 174.900 0.021 0.000 1.004 274 G CA -0.036 45.042 45.100 -0.037 0.000 1.292 274 G HN 0.752 nan 8.290 nan 0.000 0.502 275 G N -0.660 108.191 108.800 0.084 0.000 2.873 275 G HA2 0.528 4.488 3.960 -0.001 0.000 0.507 275 G HA3 0.528 4.488 3.960 -0.001 0.000 0.507 275 G C -1.074 173.964 174.900 0.230 0.000 1.440 275 G CA -0.013 45.159 45.100 0.121 0.000 1.016 275 G HN 1.932 nan 8.290 nan 0.000 0.615 276 Y N 1.975 122.321 120.300 0.077 0.000 2.433 276 Y HA 0.803 5.352 4.550 -0.001 0.000 0.337 276 Y C -0.792 175.077 175.900 -0.051 0.000 1.026 276 Y CA -1.602 56.533 58.100 0.058 0.000 1.037 276 Y CB 2.795 41.409 38.460 0.256 0.000 1.245 276 Y HN 0.841 nan 8.280 nan 0.000 0.443 277 Q N 3.777 123.205 119.800 -0.620 0.000 2.275 277 Q HA 0.506 4.846 4.340 -0.001 0.000 0.258 277 Q C -1.461 174.148 176.000 -0.651 0.000 0.960 277 Q CA -0.538 54.866 55.803 -0.666 0.000 0.801 277 Q CB 1.638 30.127 28.738 -0.415 0.000 1.302 277 Q HN 0.720 nan 8.270 nan 0.000 0.433 278 S N 2.900 118.179 115.700 -0.703 0.000 2.617 278 S HA 0.838 5.307 4.470 -0.001 0.000 0.269 278 S C -0.535 174.050 174.600 -0.027 0.000 1.292 278 S CA -0.184 57.806 58.200 -0.351 0.000 1.010 278 S CB 0.675 63.735 63.200 -0.234 0.000 0.944 278 S HN 0.792 nan 8.310 nan 0.000 0.536 279 Y N -0.668 119.564 120.300 -0.113 0.000 2.689 279 Y HA 0.776 5.326 4.550 -0.001 0.000 0.333 279 Y C -1.904 173.926 175.900 -0.117 0.000 1.208 279 Y CA -1.763 56.246 58.100 -0.151 0.000 1.055 279 Y CB 0.866 39.122 38.460 -0.340 0.000 1.304 279 Y HN 0.758 nan 8.280 nan 0.000 0.455 280 L N 3.114 124.440 121.223 0.171 0.000 2.439 280 L HA 0.726 5.065 4.340 -0.001 0.000 0.270 280 L C -1.913 175.036 176.870 0.132 0.000 0.972 280 L CA -1.031 53.779 54.840 -0.050 0.000 0.836 280 L CB 1.446 43.351 42.059 -0.256 0.000 1.255 280 L HN 0.713 nan 8.230 nan 0.000 0.404 281 I N 4.021 124.639 120.570 0.081 0.000 2.378 281 I HA 0.494 4.663 4.170 -0.001 0.000 0.291 281 I C -0.006 176.060 176.117 -0.086 0.000 0.992 281 I CA -0.526 60.736 61.300 -0.064 0.000 1.154 281 I CB 2.077 39.935 38.000 -0.237 0.000 1.315 281 I HN 0.725 nan 8.210 nan 0.000 0.448 282 T N 4.857 119.353 114.554 -0.096 0.000 2.824 282 T HA 0.726 5.076 4.350 -0.001 0.000 0.280 282 T C -0.582 174.096 174.700 -0.038 0.000 0.995 282 T CA -0.778 61.299 62.100 -0.038 0.000 1.009 282 T CB 1.265 70.134 68.868 0.002 0.000 0.955 282 T HN 0.338 nan 8.240 nan 0.000 0.452 283 L N 4.469 125.711 121.223 0.033 0.000 2.298 283 L HA 0.384 4.724 4.340 -0.001 0.000 0.284 283 L C -1.891 175.017 176.870 0.063 0.000 1.013 283 L CA -2.485 52.394 54.840 0.065 0.000 0.824 283 L CB 1.987 44.127 42.059 0.136 0.000 1.221 283 L HN 0.391 nan 8.230 nan 0.000 0.418 284 P HA -0.085 nan 4.420 nan 0.000 0.215 284 P C -0.308 177.012 177.300 0.033 0.000 1.157 284 P CA 1.302 64.415 63.100 0.022 0.000 0.863 284 P CB 0.291 31.998 31.700 0.011 0.000 0.787 285 K N -0.949 119.490 120.400 0.066 0.000 2.208 285 K HA 0.128 4.448 4.320 -0.001 0.000 0.247 285 K C 0.391 177.093 176.600 0.170 0.000 0.953 285 K CA -0.621 55.715 56.287 0.082 0.000 0.837 285 K CB 1.174 33.715 32.500 0.068 0.000 1.131 285 K HN -0.259 nan 8.250 nan 0.000 0.431 286 D N 1.666 122.157 120.400 0.151 0.000 2.149 286 D HA -0.151 4.488 4.640 -0.001 0.000 0.194 286 D C 1.376 177.902 176.300 0.377 0.000 1.001 286 D CA 1.692 55.858 54.000 0.278 0.000 0.849 286 D CB -0.024 40.909 40.800 0.221 0.000 0.939 286 D HN 0.811 nan 8.370 nan 0.000 0.449 287 G N -0.980 107.948 108.800 0.214 0.000 3.181 287 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.219 287 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.219 287 G C 0.901 175.834 174.900 0.056 0.000 1.182 287 G CA -0.074 45.108 45.100 0.137 0.000 0.791 287 G HN 0.144 nan 8.290 nan 0.000 0.537 288 D N 0.214 120.659 120.400 0.076 0.000 2.355 288 D HA -0.033 4.607 4.640 -0.001 0.000 0.218 288 D C 2.304 178.531 176.300 -0.121 0.000 1.004 288 D CA -0.100 53.901 54.000 0.000 0.000 0.880 288 D CB 0.392 41.220 40.800 0.046 0.000 0.911 288 D HN 0.285 nan 8.370 nan 0.000 0.528 289 L N 1.719 122.785 121.223 -0.262 0.000 2.042 289 L HA -0.227 4.113 4.340 -0.001 0.000 0.210 289 L C 2.137 178.762 176.870 -0.410 0.000 1.076 289 L CA 1.908 56.382 54.840 -0.611 0.000 0.749 289 L CB -0.479 40.929 42.059 -1.085 0.000 0.893 289 L HN -0.168 nan 8.230 nan 0.000 0.432 290 K N -0.650 119.600 120.400 -0.251 0.000 2.026 290 K HA -0.220 4.100 4.320 -0.001 0.000 0.208 290 K C 2.177 178.663 176.600 -0.191 0.000 1.048 290 K CA 2.050 58.222 56.287 -0.191 0.000 0.929 290 K CB -0.489 31.949 32.500 -0.102 0.000 0.713 290 K HN 0.542 nan 8.250 nan 0.000 0.439 291 Q N -0.687 119.010 119.800 -0.171 0.000 2.123 291 Q HA -0.001 4.338 4.340 -0.001 0.000 0.199 291 Q C 2.046 177.885 176.000 -0.269 0.000 0.966 291 Q CA 1.128 56.819 55.803 -0.187 0.000 0.845 291 Q CB -0.134 28.512 28.738 -0.154 0.000 0.907 291 Q HN 0.506 nan 8.270 nan 0.000 0.439 292 A N 0.078 122.733 122.820 -0.274 0.000 1.845 292 A HA -0.166 4.153 4.320 -0.001 0.000 0.215 292 A C 2.192 179.562 177.584 -0.356 0.000 1.195 292 A CA 1.624 53.463 52.037 -0.329 0.000 0.616 292 A CB -0.873 18.017 19.000 -0.184 0.000 0.832 292 A HN 0.249 nan 8.150 nan 0.000 0.443 293 V N 0.794 120.510 119.914 -0.330 0.000 2.469 293 V HA -0.241 3.878 4.120 -0.001 0.000 0.251 293 V C 1.959 177.913 176.094 -0.234 0.000 1.064 293 V CA 2.208 64.332 62.300 -0.293 0.000 1.066 293 V CB -0.890 30.720 31.823 -0.355 0.000 0.667 293 V HN 0.479 nan 8.190 nan 0.000 0.461 294 D N -0.205 120.057 120.400 -0.230 0.000 2.219 294 D HA -0.042 4.597 4.640 -0.001 0.000 0.205 294 D C 2.018 178.187 176.300 -0.218 0.000 0.970 294 D CA 1.064 54.951 54.000 -0.188 0.000 0.851 294 D CB 0.044 40.745 40.800 -0.164 0.000 0.943 294 D HN 0.423 nan 8.370 nan 0.000 0.488 295 I N 0.405 120.778 120.570 -0.329 0.000 2.277 295 I HA -0.134 4.036 4.170 -0.001 0.000 0.243 295 I C 2.271 178.191 176.117 -0.328 0.000 1.094 295 I CA 0.437 61.480 61.300 -0.428 0.000 1.393 295 I CB 0.079 37.599 38.000 -0.800 0.000 1.078 295 I HN -0.096 nan 8.210 nan 0.000 0.417 296 I N 0.300 120.700 120.570 -0.285 0.000 2.264 296 I HA -0.324 3.845 4.170 -0.001 0.000 0.248 296 I C 2.681 178.782 176.117 -0.026 0.000 1.111 296 I CA 1.110 62.356 61.300 -0.089 0.000 1.382 296 I CB -0.540 37.440 38.000 -0.035 0.000 1.060 296 I HN 0.223 nan 8.210 nan 0.000 0.418 297 R N 1.242 121.706 120.500 -0.060 0.000 2.154 297 R HA -0.213 4.126 4.340 -0.001 0.000 0.236 297 R C -0.449 175.848 176.300 -0.005 0.000 1.121 297 R CA 2.781 58.865 56.100 -0.028 0.000 0.915 297 R CB -1.376 28.895 30.300 -0.049 0.000 0.856 297 R HN 0.253 nan 8.270 nan 0.000 0.431 298 P HA -0.082 nan 4.420 nan 0.000 0.222 298 P C 1.280 178.593 177.300 0.022 0.000 1.153 298 P CA 1.219 64.317 63.100 -0.004 0.000 0.798 298 P CB -0.070 31.615 31.700 -0.024 0.000 0.796 299 L N -0.869 120.371 121.223 0.029 0.000 2.109 299 L HA -0.045 4.295 4.340 -0.001 0.000 0.207 299 L C 2.928 179.869 176.870 0.118 0.000 1.086 299 L CA 1.128 56.015 54.840 0.079 0.000 0.760 299 L CB -0.617 41.509 42.059 0.111 0.000 0.910 299 L HN -0.071 nan 8.230 nan 0.000 0.437 300 R N 0.418 120.986 120.500 0.113 0.000 2.062 300 R HA -0.108 4.232 4.340 -0.001 0.000 0.229 300 R C 2.027 178.387 176.300 0.100 0.000 1.128 300 R CA 1.195 57.374 56.100 0.130 0.000 0.960 300 R CB -0.418 29.956 30.300 0.125 0.000 0.855 300 R HN 0.081 nan 8.270 nan 0.000 0.432 301 L N -0.182 121.084 121.223 0.072 0.000 2.465 301 L HA 0.161 4.501 4.340 -0.001 0.000 0.224 301 L C 1.561 178.465 176.870 0.056 0.000 1.145 301 L CA 1.798 56.672 54.840 0.057 0.000 0.834 301 L CB -0.228 41.855 42.059 0.040 0.000 0.944 301 L HN 0.403 nan 8.230 nan 0.000 0.451 302 G N -3.150 105.687 108.800 0.061 0.000 3.192 302 G HA2 0.140 4.100 3.960 -0.001 0.000 0.239 302 G HA3 0.140 4.100 3.960 -0.001 0.000 0.239 302 G C 0.905 175.849 174.900 0.073 0.000 1.084 302 G CA 0.202 45.336 45.100 0.057 0.000 0.784 302 G HN 0.240 nan 8.290 nan 0.000 0.540 303 M N -0.805 118.851 119.600 0.094 0.000 2.965 303 M HA -0.224 4.255 4.480 -0.001 0.000 0.213 303 M C 1.589 177.973 176.300 0.139 0.000 0.564 303 M CA 0.377 55.746 55.300 0.115 0.000 0.784 303 M CB -1.331 31.326 32.600 0.095 0.000 2.816 303 M HN 0.313 nan 8.290 nan 0.000 0.409 304 A N -0.173 122.735 122.820 0.146 0.000 2.016 304 A HA 0.224 4.544 4.320 -0.001 0.000 0.217 304 A C 0.937 178.668 177.584 0.245 0.000 1.162 304 A CA 0.670 52.810 52.037 0.171 0.000 0.662 304 A CB 0.155 19.238 19.000 0.140 0.000 0.812 304 A HN 0.502 nan 8.150 nan 0.000 0.450 305 L N 0.877 122.255 121.223 0.259 0.000 2.288 305 L HA 0.171 4.511 4.340 -0.001 0.000 0.283 305 L C 0.980 178.020 176.870 0.284 0.000 1.072 305 L CA -0.318 54.716 54.840 0.323 0.000 0.862 305 L CB 1.008 43.269 42.059 0.336 0.000 1.245 305 L HN 0.438 nan 8.230 nan 0.000 0.432 306 Q N 1.117 121.116 119.800 0.332 0.000 2.083 306 Q HA -0.106 4.233 4.340 -0.001 0.000 0.198 306 Q C 0.937 177.099 176.000 0.269 0.000 0.969 306 Q CA 1.125 57.115 55.803 0.311 0.000 0.838 306 Q CB 0.170 29.179 28.738 0.453 0.000 0.900 306 Q HN 0.740 nan 8.270 nan 0.000 0.436 307 N N -0.662 118.249 118.700 0.352 0.000 2.645 307 N HA 0.122 4.862 4.740 -0.001 0.000 0.308 307 N C -0.549 175.089 175.510 0.213 0.000 1.335 307 N CA -0.501 52.718 53.050 0.283 0.000 0.909 307 N CB 0.246 39.005 38.487 0.453 0.000 1.109 307 N HN -0.167 nan 8.380 nan 0.000 0.555 308 V N 1.182 121.210 119.914 0.190 0.000 2.277 308 V HA 0.382 4.501 4.120 -0.001 0.000 0.269 308 V C -2.217 173.994 176.094 0.195 0.000 1.036 308 V CA -1.374 61.017 62.300 0.152 0.000 0.821 308 V CB 0.412 32.264 31.823 0.049 0.000 1.052 308 V HN 0.634 nan 8.190 nan 0.000 0.462 309 P HA 0.276 nan 4.420 nan 0.000 0.275 309 P C -0.214 177.112 177.300 0.044 0.000 1.228 309 P CA 0.125 63.224 63.100 -0.002 0.000 0.786 309 P CB 1.018 32.762 31.700 0.073 0.000 0.927 310 T N 0.210 114.727 114.554 -0.063 0.000 2.856 310 T HA 0.663 5.012 4.350 -0.001 0.000 0.283 310 T C 0.219 175.021 174.700 0.171 0.000 1.008 310 T CA -0.791 61.354 62.100 0.075 0.000 0.997 310 T CB 0.939 69.791 68.868 -0.027 0.000 0.992 310 T HN 0.222 nan 8.240 nan 0.000 0.454 311 I N 2.398 123.153 120.570 0.308 0.000 2.388 311 I HA 0.369 4.539 4.170 -0.001 0.000 0.281 311 I C 0.385 176.798 176.117 0.494 0.000 1.046 311 I CA -0.758 60.788 61.300 0.410 0.000 1.187 311 I CB 0.706 38.870 38.000 0.273 0.000 1.351 311 I HN 0.378 nan 8.210 nan 0.000 0.472 312 R N 3.315 124.089 120.500 0.456 0.000 2.404 312 R HA 0.334 4.673 4.340 -0.001 0.000 0.291 312 R C 0.031 176.544 176.300 0.356 0.000 1.025 312 R CA -0.726 55.591 56.100 0.363 0.000 0.991 312 R CB 1.126 31.527 30.300 0.170 0.000 1.053 312 R HN 0.471 nan 8.270 nan 0.000 0.479 313 H N 3.002 122.112 119.070 0.065 0.000 2.610 313 H HA 0.001 4.556 4.556 -0.001 0.000 0.336 313 H C 1.182 176.317 175.328 -0.322 0.000 1.087 313 H CA -0.126 55.679 56.048 -0.405 0.000 1.405 313 H CB 1.115 30.669 29.762 -0.345 0.000 1.460 313 H HN 0.585 nan 8.280 nan 0.000 0.538 314 I N 4.869 124.990 120.570 -0.749 0.000 2.181 314 I HA -0.340 3.829 4.170 -0.001 0.000 0.247 314 I C 2.043 177.995 176.117 -0.275 0.000 1.081 314 I CA 1.539 62.579 61.300 -0.433 0.000 1.340 314 I CB -0.297 37.419 38.000 -0.475 0.000 1.036 314 I HN 0.724 nan 8.210 nan 0.000 0.417 315 L N -0.858 120.264 121.223 -0.167 0.000 2.201 315 L HA -0.176 4.163 4.340 -0.001 0.000 0.212 315 L C 2.357 178.969 176.870 -0.431 0.000 1.105 315 L CA 0.666 55.285 54.840 -0.368 0.000 0.775 315 L CB -0.601 41.188 42.059 -0.450 0.000 0.913 315 L HN 0.377 nan 8.230 nan 0.000 0.440 316 L N -0.081 120.951 121.223 -0.317 0.000 2.017 316 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 316 L C 2.083 178.816 176.870 -0.228 0.000 1.073 316 L CA 1.935 56.541 54.840 -0.389 0.000 0.745 316 L CB -0.609 41.224 42.059 -0.377 0.000 0.894 316 L HN 0.194 nan 8.230 nan 0.000 0.432 317 D N -0.173 120.142 120.400 -0.143 0.000 2.097 317 D HA -0.146 4.494 4.640 -0.001 0.000 0.197 317 D C 2.213 178.503 176.300 -0.017 0.000 0.984 317 D CA 1.540 55.505 54.000 -0.058 0.000 0.826 317 D CB -0.312 40.483 40.800 -0.008 0.000 0.973 317 D HN 0.463 nan 8.370 nan 0.000 0.460 318 A N 1.267 124.042 122.820 -0.075 0.000 1.927 318 A HA -0.194 4.125 4.320 -0.001 0.000 0.220 318 A C 2.322 180.009 177.584 0.171 0.000 1.185 318 A CA 2.709 54.723 52.037 -0.037 0.000 0.639 318 A CB -0.768 18.022 19.000 -0.350 0.000 0.820 318 A HN 0.270 nan 8.150 nan 0.000 0.451 319 A N -0.908 121.934 122.820 0.036 0.000 1.969 319 A HA 0.091 4.410 4.320 -0.001 0.000 0.218 319 A C 2.196 179.966 177.584 0.310 0.000 1.169 319 A CA 1.525 53.725 52.037 0.271 0.000 0.635 319 A CB -0.786 18.218 19.000 0.006 0.000 0.810 319 A HN 0.397 nan 8.150 nan 0.000 0.445 320 V N 0.172 120.216 119.914 0.216 0.000 2.332 320 V HA -0.265 3.855 4.120 -0.001 0.000 0.248 320 V C 2.518 178.712 176.094 0.167 0.000 1.055 320 V CA 2.024 64.441 62.300 0.194 0.000 1.038 320 V CB -0.705 31.198 31.823 0.134 0.000 0.651 320 V HN 0.580 nan 8.190 nan 0.000 0.450 321 L N -0.728 120.609 121.223 0.189 0.000 2.156 321 L HA 0.238 4.578 4.340 -0.001 0.000 0.208 321 L C 1.063 178.046 176.870 0.188 0.000 1.095 321 L CA 1.153 56.101 54.840 0.180 0.000 0.770 321 L CB -0.374 41.807 42.059 0.205 0.000 0.914 321 L HN 0.513 nan 8.230 nan 0.000 0.439 322 G N -0.931 108.059 108.800 0.317 0.000 2.632 322 G HA2 0.328 4.287 3.960 -0.001 0.000 0.292 322 G HA3 0.328 4.287 3.960 -0.001 0.000 0.292 322 G C -1.861 173.281 174.900 0.403 0.000 1.465 322 G CA -0.605 44.625 45.100 0.218 0.000 0.824 322 G HN 0.006 nan 8.290 nan 0.000 0.509 323 D N -0.029 120.471 120.400 0.168 0.000 2.369 323 D HA 0.099 4.738 4.640 -0.001 0.000 0.241 323 D C 1.294 177.523 176.300 -0.119 0.000 1.271 323 D CA -0.523 53.526 54.000 0.083 0.000 0.942 323 D CB 1.234 42.003 40.800 -0.052 0.000 1.129 323 D HN 0.466 nan 8.370 nan 0.000 0.476 324 K N -0.194 119.721 120.400 -0.807 0.000 2.097 324 K HA -0.135 4.185 4.320 -0.001 0.000 0.205 324 K C 2.086 178.458 176.600 -0.379 0.000 1.050 324 K CA 0.693 56.307 56.287 -1.122 0.000 0.938 324 K CB 0.022 31.464 32.500 -1.762 0.000 0.718 324 K HN 0.308 nan 8.250 nan 0.000 0.442 325 R N 0.353 120.676 120.500 -0.295 0.000 2.139 325 R HA -0.114 4.226 4.340 -0.001 0.000 0.243 325 R C 2.331 178.555 176.300 -0.127 0.000 1.145 325 R CA 1.747 57.746 56.100 -0.169 0.000 0.976 325 R CB -0.275 29.942 30.300 -0.139 0.000 0.866 325 R HN 0.312 nan 8.270 nan 0.000 0.449 326 S N -0.836 114.769 115.700 -0.158 0.000 2.547 326 S HA -0.096 4.373 4.470 -0.001 0.000 0.235 326 S C 1.111 175.539 174.600 -0.287 0.000 0.980 326 S CA 0.678 58.737 58.200 -0.234 0.000 0.941 326 S CB -0.014 62.985 63.200 -0.336 0.000 0.763 326 S HN 0.380 nan 8.310 nan 0.000 0.532 327 Y N 0.272 120.543 120.300 -0.047 0.000 2.467 327 Y HA 0.528 5.078 4.550 -0.001 0.000 0.259 327 Y C 0.981 176.880 175.900 -0.001 0.000 1.084 327 Y CA -0.169 57.936 58.100 0.009 0.000 1.275 327 Y CB 0.755 39.267 38.460 0.087 0.000 1.208 327 Y HN 0.344 nan 8.280 nan 0.000 0.511 328 S N -1.495 114.264 115.700 0.098 0.000 2.578 328 S HA 0.246 4.716 4.470 -0.001 0.000 0.285 328 S C 0.045 174.640 174.600 -0.008 0.000 1.126 328 S CA -0.490 57.740 58.200 0.049 0.000 0.878 328 S CB 1.266 64.508 63.200 0.070 0.000 1.091 328 S HN -0.080 nan 8.310 nan 0.000 0.450 329 S N 1.553 117.247 115.700 -0.011 0.000 2.575 329 S HA 0.220 4.690 4.470 -0.001 0.000 0.215 329 S C 0.882 175.467 174.600 -0.025 0.000 0.966 329 S CA -0.038 58.145 58.200 -0.029 0.000 0.911 329 S CB -0.197 62.989 63.200 -0.024 0.000 0.780 329 S HN 0.608 nan 8.310 nan 0.000 0.514 330 R N 0.459 120.954 120.500 -0.009 0.000 2.697 330 R HA 0.021 4.360 4.340 -0.001 0.000 0.265 330 R C 0.846 177.142 176.300 -0.007 0.000 1.009 330 R CA 0.876 56.977 56.100 0.002 0.000 1.099 330 R CB 0.361 30.674 30.300 0.022 0.000 0.965 330 R HN 0.046 nan 8.270 nan 0.000 0.428 331 T N 1.866 116.422 114.554 0.003 0.000 3.000 331 T HA 0.105 4.455 4.350 -0.001 0.000 0.248 331 T C 0.091 174.807 174.700 0.028 0.000 1.034 331 T CA 0.863 62.966 62.100 0.004 0.000 1.060 331 T CB 0.210 69.079 68.868 0.001 0.000 0.983 331 T HN 0.752 nan 8.240 nan 0.000 0.482 332 E N 2.772 122.992 120.200 0.034 0.000 2.369 332 E HA 0.403 4.752 4.350 -0.001 0.000 0.255 332 E C -2.696 173.947 176.600 0.072 0.000 1.172 332 E CA -2.117 54.312 56.400 0.048 0.000 0.932 332 E CB -0.911 nan 29.700 nan 0.000 1.040 332 E HN 0.168 nan 8.360 nan 0.000 0.454 333 P HA 0.071 nan 4.420 nan 0.000 0.265 333 P C -0.244 177.120 177.300 0.107 0.000 1.193 333 P CA -0.019 63.149 63.100 0.113 0.000 0.765 333 P CB 0.188 31.949 31.700 0.101 0.000 0.823 334 L N 1.866 123.172 121.223 0.137 0.000 2.483 334 L HA 0.065 4.404 4.340 -0.001 0.000 0.276 334 L C 1.542 178.468 176.870 0.093 0.000 1.213 334 L CA -0.073 54.838 54.840 0.118 0.000 0.843 334 L CB -0.211 41.939 42.059 0.151 0.000 1.107 334 L HN 0.479 nan 8.230 nan 0.000 0.487 335 S N 0.030 115.774 115.700 0.073 0.000 2.624 335 S HA 0.044 4.513 4.470 -0.001 0.000 0.263 335 S C 0.582 175.215 174.600 0.056 0.000 1.287 335 S CA -0.491 57.744 58.200 0.058 0.000 0.990 335 S CB 1.315 64.543 63.200 0.047 0.000 0.950 335 S HN 0.723 nan 8.310 nan 0.000 0.561 336 D N 0.781 121.211 120.400 0.049 0.000 2.087 336 D HA -0.147 4.492 4.640 -0.001 0.000 0.192 336 D C 1.672 177.991 176.300 0.032 0.000 0.993 336 D CA 1.951 55.977 54.000 0.044 0.000 0.828 336 D CB -0.195 40.630 40.800 0.042 0.000 0.968 336 D HN 0.750 nan 8.370 nan 0.000 0.448 337 E N 0.448 120.667 120.200 0.031 0.000 2.160 337 E HA -0.176 4.173 4.350 -0.001 0.000 0.195 337 E C 1.930 178.547 176.600 0.028 0.000 0.991 337 E CA 0.956 57.371 56.400 0.026 0.000 0.810 337 E CB -0.200 29.516 29.700 0.027 0.000 0.742 337 E HN 0.485 nan 8.360 nan 0.000 0.466 338 E N 0.084 120.306 120.200 0.037 0.000 2.208 338 E HA -0.064 4.285 4.350 -0.001 0.000 0.193 338 E C 1.867 178.483 176.600 0.028 0.000 0.988 338 E CA 0.434 56.860 56.400 0.044 0.000 0.828 338 E CB -0.018 29.719 29.700 0.061 0.000 0.763 338 E HN 0.250 nan 8.360 nan 0.000 0.478 339 L N 1.073 122.305 121.223 0.016 0.000 2.005 339 L HA -0.183 4.157 4.340 -0.001 0.000 0.207 339 L C 1.974 178.817 176.870 -0.045 0.000 1.072 339 L CA 0.942 55.766 54.840 -0.026 0.000 0.744 339 L CB -0.481 41.563 42.059 -0.026 0.000 0.895 339 L HN 0.091 nan 8.230 nan 0.000 0.433 340 D N 0.848 121.232 120.400 -0.026 0.000 2.149 340 D HA -0.232 4.408 4.640 -0.001 0.000 0.194 340 D C 2.352 178.647 176.300 -0.009 0.000 1.001 340 D CA 2.127 56.114 54.000 -0.022 0.000 0.849 340 D CB -0.063 40.736 40.800 -0.003 0.000 0.939 340 D HN 0.335 nan 8.370 nan 0.000 0.449 341 K N 1.214 121.619 120.400 0.009 0.000 2.009 341 K HA -0.129 4.191 4.320 -0.001 0.000 0.210 341 K C 2.280 178.900 176.600 0.033 0.000 1.049 341 K CA 1.377 57.680 56.287 0.026 0.000 0.929 341 K CB -1.226 nan 32.500 nan 0.000 0.714 341 K HN 0.233 nan 8.250 nan 0.000 0.440 342 I N 0.597 121.180 120.570 0.021 0.000 2.286 342 I HA -0.199 3.971 4.170 -0.001 0.000 0.248 342 I C 3.036 179.149 176.117 -0.007 0.000 1.115 342 I CA 0.960 62.273 61.300 0.021 0.000 1.392 342 I CB -0.482 37.464 38.000 -0.089 0.000 1.065 342 I HN 0.435 nan 8.210 nan 0.000 0.418 343 A N 1.527 124.320 122.820 -0.045 0.000 1.869 343 A HA -0.352 3.967 4.320 -0.001 0.000 0.218 343 A C 2.650 180.220 177.584 -0.023 0.000 1.203 343 A CA 3.242 55.245 52.037 -0.057 0.000 0.638 343 A CB -1.135 17.822 19.000 -0.072 0.000 0.831 343 A HN 0.398 nan 8.150 nan 0.000 0.450 344 K N -0.125 120.272 120.400 -0.004 0.000 2.147 344 K HA -0.187 4.132 4.320 -0.001 0.000 0.205 344 K C 1.900 178.515 176.600 0.025 0.000 1.049 344 K CA 1.815 58.109 56.287 0.011 0.000 0.936 344 K CB -1.019 31.491 32.500 0.017 0.000 0.722 344 K HN 0.864 nan 8.250 nan 0.000 0.446 345 Q N -0.145 119.682 119.800 0.044 0.000 2.224 345 Q HA 0.074 4.413 4.340 -0.001 0.000 0.203 345 Q C 1.896 177.930 176.000 0.057 0.000 0.970 345 Q CA 1.241 57.082 55.803 0.063 0.000 0.865 345 Q CB -0.138 28.663 28.738 0.106 0.000 0.922 345 Q HN 0.551 nan 8.270 nan 0.000 0.445 346 L N -0.184 121.065 121.223 0.044 0.000 2.616 346 L HA 0.161 4.500 4.340 -0.001 0.000 0.229 346 L C 0.322 177.176 176.870 -0.027 0.000 1.110 346 L CA -0.201 54.654 54.840 0.025 0.000 0.884 346 L CB 0.131 42.212 42.059 0.037 0.000 1.115 346 L HN 0.227 nan 8.230 nan 0.000 0.481 347 N N 0.230 118.913 118.700 -0.028 0.000 2.925 347 N HA -0.144 4.595 4.740 -0.001 0.000 0.244 347 N C -0.074 175.367 175.510 -0.115 0.000 1.000 347 N CA 0.666 53.685 53.050 -0.052 0.000 0.895 347 N CB -0.986 37.465 38.487 -0.060 0.000 1.119 347 N HN 0.235 nan 8.380 nan 0.000 0.569 348 L N -0.175 120.989 121.223 -0.099 0.000 2.431 348 L HA 0.612 4.951 4.340 -0.001 0.000 0.260 348 L C 1.690 178.516 176.870 -0.073 0.000 1.098 348 L CA -0.234 54.540 54.840 -0.110 0.000 0.800 348 L CB 0.930 42.935 42.059 -0.090 0.000 1.210 348 L HN 0.052 nan 8.230 nan 0.000 0.465 349 G N -0.511 108.250 108.800 -0.066 0.000 2.606 349 G HA2 0.238 4.197 3.960 -0.001 0.000 0.262 349 G HA3 0.238 4.197 3.960 -0.001 0.000 0.262 349 G C 0.537 175.372 174.900 -0.109 0.000 1.394 349 G CA -0.368 44.703 45.100 -0.048 0.000 1.044 349 G HN 0.458 nan 8.290 nan 0.000 0.553 350 R N -1.476 118.954 120.500 -0.116 0.000 2.161 350 R HA 0.095 4.435 4.340 -0.001 0.000 0.213 350 R C -0.417 175.533 176.300 -0.584 0.000 1.055 350 R CA 0.265 56.177 56.100 -0.314 0.000 0.996 350 R CB 0.011 30.181 30.300 -0.217 0.000 0.901 350 R HN 0.504 nan 8.270 nan 0.000 0.456 351 W N 0.386 121.623 121.300 -0.104 0.000 2.883 351 W HA 0.334 4.994 4.660 -0.001 0.000 0.335 351 W C -0.830 175.688 176.519 -0.001 0.000 1.083 351 W CA -0.823 56.491 57.345 -0.052 0.000 1.233 351 W CB 1.331 30.769 29.460 -0.036 0.000 1.412 351 W HN -0.165 nan 8.180 nan 0.000 0.490 352 N N 2.442 121.335 118.700 0.323 0.000 2.354 352 N HA 0.435 5.175 4.740 -0.001 0.000 0.287 352 N C -1.726 173.941 175.510 0.262 0.000 1.016 352 N CA -0.665 52.498 53.050 0.187 0.000 0.871 352 N CB 1.669 40.233 38.487 0.128 0.000 1.299 352 N HN 0.282 nan 8.380 nan 0.000 0.482 353 F N 3.257 123.174 119.950 -0.055 0.000 2.388 353 F HA 0.463 4.990 4.527 -0.001 0.000 0.358 353 F C -1.303 174.425 175.800 -0.120 0.000 1.122 353 F CA -0.643 57.363 58.000 0.010 0.000 1.056 353 F CB 0.322 39.321 39.000 -0.001 0.000 1.155 353 F HN 0.411 nan 8.300 nan 0.000 0.461 354 Y N 4.422 124.388 120.300 -0.556 0.000 2.341 354 Y HA 0.697 5.246 4.550 -0.001 0.000 0.337 354 Y C 0.572 175.952 175.900 -0.868 0.000 1.014 354 Y CA -0.574 57.194 58.100 -0.552 0.000 1.111 354 Y CB 1.693 39.954 38.460 -0.332 0.000 1.194 354 Y HN 0.753 nan 8.280 nan 0.000 0.462 355 G N 0.427 108.646 108.800 -0.968 0.000 2.975 355 G HA2 0.867 4.827 3.960 -0.001 0.000 0.291 355 G HA3 0.867 4.827 3.960 -0.001 0.000 0.291 355 G C -1.801 172.534 174.900 -0.941 0.000 1.334 355 G CA -0.618 43.845 45.100 -1.061 0.000 0.843 355 G HN 0.859 nan 8.290 nan 0.000 0.548 356 A N -1.102 121.438 122.820 -0.467 0.000 2.590 356 A HA 0.644 4.964 4.320 -0.001 0.000 0.296 356 A C -1.734 175.834 177.584 -0.027 0.000 1.050 356 A CA -0.533 51.377 52.037 -0.212 0.000 0.697 356 A CB 0.764 19.673 19.000 -0.152 0.000 1.277 356 A HN 0.876 nan 8.150 nan 0.000 0.411 357 L N 1.447 122.587 121.223 -0.139 0.000 2.322 357 L HA 0.664 5.003 4.340 -0.001 0.000 0.281 357 L C -1.351 175.386 176.870 -0.223 0.000 1.014 357 L CA -0.548 54.285 54.840 -0.012 0.000 0.815 357 L CB 1.442 43.541 42.059 0.065 0.000 1.247 357 L HN 0.725 nan 8.230 nan 0.000 0.421 358 Y N 1.329 121.763 120.300 0.224 0.000 2.409 358 Y HA 0.820 5.369 4.550 -0.001 0.000 0.343 358 Y C 0.688 176.650 175.900 0.104 0.000 0.973 358 Y CA -0.488 57.727 58.100 0.192 0.000 1.064 358 Y CB 2.326 40.875 38.460 0.149 0.000 1.207 358 Y HN 0.745 nan 8.280 nan 0.000 0.452 359 G N 2.568 111.483 108.800 0.192 0.000 2.334 359 G HA2 0.067 4.027 3.960 -0.001 0.000 0.315 359 G HA3 0.067 4.027 3.960 -0.001 0.000 0.315 359 G C -3.371 171.569 174.900 0.067 0.000 1.284 359 G CA -1.447 43.715 45.100 0.104 0.000 0.985 359 G HN 0.335 nan 8.290 nan 0.000 0.504 360 P HA 0.206 nan 4.420 nan 0.000 0.270 360 P C 0.803 178.121 177.300 0.031 0.000 1.223 360 P CA -0.186 62.931 63.100 0.029 0.000 0.785 360 P CB 0.783 32.495 31.700 0.021 0.000 0.923 361 E N 2.223 122.433 120.200 0.017 0.000 2.038 361 E HA -0.171 4.178 4.350 -0.001 0.000 0.195 361 E C -0.837 175.776 176.600 0.021 0.000 1.000 361 E CA 2.264 58.670 56.400 0.009 0.000 0.803 361 E CB -1.958 27.740 29.700 -0.004 0.000 0.750 361 E HN 0.324 nan 8.360 nan 0.000 0.448 362 P HA -0.184 nan 4.420 nan 0.000 0.216 362 P C 1.604 178.928 177.300 0.040 0.000 1.154 362 P CA 1.301 64.417 63.100 0.026 0.000 0.865 362 P CB -0.092 31.620 31.700 0.020 0.000 0.789 363 I N -1.212 119.387 120.570 0.048 0.000 2.277 363 I HA -0.106 4.064 4.170 -0.001 0.000 0.243 363 I C 2.441 178.612 176.117 0.089 0.000 1.094 363 I CA 1.265 62.604 61.300 0.066 0.000 1.393 363 I CB -1.289 36.752 38.000 0.068 0.000 1.078 363 I HN -0.038 nan 8.210 nan 0.000 0.417 364 R N 0.472 121.026 120.500 0.089 0.000 2.115 364 R HA -0.241 4.098 4.340 -0.001 0.000 0.239 364 R C 2.414 178.798 176.300 0.140 0.000 1.133 364 R CA 1.868 58.033 56.100 0.108 0.000 0.935 364 R CB -0.553 29.781 30.300 0.055 0.000 0.853 364 R HN 0.298 nan 8.270 nan 0.000 0.433 365 R N 0.684 121.247 120.500 0.106 0.000 2.136 365 R HA -0.222 4.117 4.340 -0.001 0.000 0.242 365 R C 2.140 178.515 176.300 0.125 0.000 1.131 365 R CA 2.487 58.659 56.100 0.121 0.000 0.937 365 R CB -0.492 29.849 30.300 0.068 0.000 0.863 365 R HN 0.134 nan 8.270 nan 0.000 0.435 366 V N 1.400 121.367 119.914 0.087 0.000 2.343 366 V HA -0.254 3.865 4.120 -0.001 0.000 0.247 366 V C 2.452 178.590 176.094 0.073 0.000 1.051 366 V CA 1.792 64.129 62.300 0.063 0.000 1.036 366 V CB -0.478 31.375 31.823 0.049 0.000 0.654 366 V HN 0.337 nan 8.190 nan 0.000 0.451 367 L N -1.091 120.204 121.223 0.120 0.000 2.005 367 L HA -0.194 4.146 4.340 -0.001 0.000 0.207 367 L C 2.465 179.429 176.870 0.157 0.000 1.072 367 L CA 2.157 57.083 54.840 0.143 0.000 0.744 367 L CB -0.666 41.506 42.059 0.189 0.000 0.895 367 L HN 0.527 nan 8.230 nan 0.000 0.433 368 W N 1.805 123.098 121.300 -0.012 0.000 2.342 368 W HA -0.229 4.431 4.660 -0.001 0.000 0.297 368 W C 2.068 178.508 176.519 -0.131 0.000 1.213 368 W CA 1.751 59.043 57.345 -0.088 0.000 1.251 368 W CB 0.077 29.499 29.460 -0.063 0.000 1.136 368 W HN 0.277 nan 8.180 nan 0.000 0.526 369 E N -0.220 119.892 120.200 -0.147 0.000 2.001 369 E HA -0.220 4.130 4.350 -0.001 0.000 0.195 369 E C 2.096 178.539 176.600 -0.261 0.000 1.002 369 E CA 2.545 58.786 56.400 -0.264 0.000 0.819 369 E CB -0.730 28.905 29.700 -0.109 0.000 0.769 369 E HN 0.039 nan 8.360 nan 0.000 0.454 370 T N 1.703 116.179 114.554 -0.130 0.000 2.620 370 T HA -0.245 4.105 4.350 -0.001 0.000 0.267 370 T C 1.952 176.573 174.700 -0.132 0.000 1.044 370 T CA 1.657 63.697 62.100 -0.100 0.000 1.161 370 T CB -0.458 68.395 68.868 -0.025 0.000 0.862 370 T HN 0.111 nan 8.240 nan 0.000 0.438 371 I N 0.701 121.184 120.570 -0.146 0.000 2.039 371 I HA -0.285 3.885 4.170 -0.001 0.000 0.233 371 I C 2.777 178.704 176.117 -0.317 0.000 1.040 371 I CA 1.571 62.789 61.300 -0.137 0.000 1.308 371 I CB -0.673 37.261 38.000 -0.110 0.000 1.035 371 I HN 0.073 nan 8.210 nan 0.000 0.392 372 K N 0.159 120.011 120.400 -0.913 0.000 2.049 372 K HA -0.351 3.969 4.320 -0.001 0.000 0.219 372 K C 1.759 178.160 176.600 -0.331 0.000 1.056 372 K CA 2.284 57.955 56.287 -1.026 0.000 0.946 372 K CB -1.125 30.487 32.500 -1.479 0.000 0.723 372 K HN 0.593 nan 8.250 nan 0.000 0.453 373 D N -0.629 119.586 120.400 -0.309 0.000 2.221 373 D HA -0.092 4.547 4.640 -0.001 0.000 0.204 373 D C 1.633 177.891 176.300 -0.071 0.000 0.982 373 D CA 1.414 55.322 54.000 -0.154 0.000 0.857 373 D CB -0.215 40.489 40.800 -0.160 0.000 0.934 373 D HN 0.373 nan 8.370 nan 0.000 0.475 374 A N -1.089 121.701 122.820 -0.050 0.000 1.935 374 A HA 0.054 4.374 4.320 -0.001 0.000 0.214 374 A C 1.763 179.277 177.584 -0.117 0.000 1.178 374 A CA 0.406 52.390 52.037 -0.088 0.000 0.640 374 A CB -0.679 18.258 19.000 -0.105 0.000 0.825 374 A HN 0.276 nan 8.150 nan 0.000 0.447 375 F N 0.119 120.032 119.950 -0.063 0.000 2.789 375 F HA 0.080 4.607 4.527 -0.001 0.000 0.300 375 F C 2.371 178.167 175.800 -0.007 0.000 1.132 375 F CA 0.698 58.670 58.000 -0.046 0.000 1.404 375 F CB 0.143 39.128 39.000 -0.024 0.000 1.114 375 F HN 0.106 nan 8.300 nan 0.000 0.584 376 S N -0.050 115.759 115.700 0.183 0.000 2.423 376 S HA -0.084 4.386 4.470 -0.001 0.000 0.231 376 S C 2.218 176.834 174.600 0.026 0.000 1.014 376 S CA 0.864 59.134 58.200 0.117 0.000 0.965 376 S CB -0.300 62.946 63.200 0.078 0.000 0.785 376 S HN 0.327 nan 8.310 nan 0.000 0.495 377 A N 0.632 123.439 122.820 -0.021 0.000 2.264 377 A HA 0.216 4.535 4.320 -0.001 0.000 0.207 377 A C 0.594 178.147 177.584 -0.052 0.000 1.196 377 A CA 0.340 52.348 52.037 -0.047 0.000 0.778 377 A CB -0.482 18.473 19.000 -0.076 0.000 0.779 377 A HN 0.455 nan 8.150 nan 0.000 0.483 378 I N 1.495 122.041 120.570 -0.040 0.000 2.330 378 I HA 0.244 4.414 4.170 -0.001 0.000 0.289 378 I C -2.405 173.698 176.117 -0.023 0.000 1.001 378 I CA -2.392 58.887 61.300 -0.035 0.000 1.193 378 I CB 1.576 39.563 38.000 -0.023 0.000 1.345 378 I HN -0.018 nan 8.210 nan 0.000 0.461 379 P HA 0.041 nan 4.420 nan 0.000 0.267 379 P C 0.937 178.226 177.300 -0.019 0.000 1.200 379 P CA 0.420 63.511 63.100 -0.016 0.000 0.772 379 P CB 0.591 32.284 31.700 -0.011 0.000 0.855 380 G N 0.815 109.602 108.800 -0.021 0.000 2.186 380 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.266 380 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.266 380 G C 0.379 175.245 174.900 -0.056 0.000 0.982 380 G CA 0.174 45.259 45.100 -0.026 0.000 0.670 380 G HN 0.642 nan 8.290 nan 0.000 0.533 381 V N -0.062 119.796 119.914 -0.093 0.000 3.178 381 V HA 0.462 4.581 4.120 -0.001 0.000 0.306 381 V C 0.667 176.575 176.094 -0.310 0.000 1.107 381 V CA 0.853 63.029 62.300 -0.206 0.000 1.195 381 V CB 1.211 32.893 31.823 -0.236 0.000 0.993 381 V HN 0.386 nan 8.190 nan 0.000 0.493 382 K N 4.391 124.522 120.400 -0.448 0.000 2.589 382 K HA 0.356 4.675 4.320 -0.001 0.000 0.253 382 K C -1.796 174.511 176.600 -0.488 0.000 0.974 382 K CA -0.419 55.624 56.287 -0.407 0.000 0.835 382 K CB 1.549 33.978 32.500 -0.117 0.000 1.272 382 K HN 0.451 nan 8.250 nan 0.000 0.444 383 F N 3.191 122.982 119.950 -0.264 0.000 2.411 383 F HA 0.354 4.880 4.527 -0.001 0.000 0.355 383 F C -0.245 175.250 175.800 -0.509 0.000 1.117 383 F CA -0.230 57.624 58.000 -0.244 0.000 1.139 383 F CB 0.445 39.360 39.000 -0.142 0.000 1.120 383 F HN 0.306 nan 8.300 nan 0.000 0.493 384 Y N 2.908 123.179 120.300 -0.049 0.000 2.391 384 Y HA 0.564 5.113 4.550 -0.001 0.000 0.341 384 Y C -0.596 175.161 175.900 -0.239 0.000 0.965 384 Y CA -1.279 56.749 58.100 -0.121 0.000 1.067 384 Y CB 1.327 39.753 38.460 -0.057 0.000 1.199 384 Y HN 0.338 nan 8.280 nan 0.000 0.450 385 F N 2.960 122.985 119.950 0.126 0.000 2.450 385 F HA 0.448 4.975 4.527 -0.001 0.000 0.328 385 F C -1.345 174.484 175.800 0.049 0.000 1.068 385 F CA -2.387 55.622 58.000 0.015 0.000 1.007 385 F CB 0.577 39.524 39.000 -0.089 0.000 1.251 385 F HN 0.306 nan 8.300 nan 0.000 0.492 386 P HA -0.240 nan 4.420 nan 0.000 0.216 386 P C 1.054 178.423 177.300 0.116 0.000 1.167 386 P CA 2.108 65.278 63.100 0.118 0.000 0.914 386 P CB 0.117 31.858 31.700 0.067 0.000 0.793 387 E N -0.604 119.661 120.200 0.109 0.000 2.130 387 E HA -0.199 4.151 4.350 -0.001 0.000 0.196 387 E C 1.477 178.143 176.600 0.110 0.000 0.998 387 E CA 1.440 57.892 56.400 0.087 0.000 0.806 387 E CB -1.019 28.715 29.700 0.057 0.000 0.738 387 E HN 0.348 nan 8.360 nan 0.000 0.459 388 D N 0.102 120.599 120.400 0.162 0.000 2.392 388 D HA -0.038 4.601 4.640 -0.001 0.000 0.228 388 D C 0.415 176.838 176.300 0.204 0.000 1.003 388 D CA 1.022 55.140 54.000 0.196 0.000 0.917 388 D CB -0.230 40.728 40.800 0.265 0.000 0.890 388 D HN 0.305 nan 8.370 nan 0.000 0.532 389 T N -3.057 111.577 114.554 0.135 0.000 2.916 389 T HA 0.578 4.928 4.350 -0.001 0.000 0.292 389 T C -2.865 171.864 174.700 0.049 0.000 1.064 389 T CA -2.155 59.987 62.100 0.070 0.000 1.011 389 T CB 2.315 71.189 68.868 0.010 0.000 1.152 389 T HN -0.362 nan 8.240 nan 0.000 0.510 390 P HA 0.131 nan 4.420 nan 0.000 0.270 390 P C 0.958 178.276 177.300 0.029 0.000 1.221 390 P CA -0.169 62.947 63.100 0.027 0.000 0.788 390 P CB 0.423 32.135 31.700 0.019 0.000 0.904 391 E N 1.285 121.501 120.200 0.028 0.000 2.118 391 E HA -0.233 4.117 4.350 -0.001 0.000 0.195 391 E C 1.127 177.742 176.600 0.026 0.000 0.992 391 E CA 1.402 57.818 56.400 0.027 0.000 0.804 391 E CB -0.130 29.584 29.700 0.024 0.000 0.741 391 E HN 0.479 nan 8.360 nan 0.000 0.458 392 N N 0.391 119.107 118.700 0.026 0.000 2.336 392 N HA -0.077 4.663 4.740 -0.001 0.000 0.189 392 N C 0.264 175.791 175.510 0.029 0.000 1.113 392 N CA 0.275 53.341 53.050 0.027 0.000 0.858 392 N CB -0.184 38.321 38.487 0.029 0.000 0.970 392 N HN -0.089 nan 8.380 nan 0.000 0.471 393 S N -0.646 115.071 115.700 0.028 0.000 2.569 393 S HA 0.048 4.518 4.470 -0.001 0.000 0.274 393 S C 1.439 176.058 174.600 0.033 0.000 1.353 393 S CA -0.470 57.748 58.200 0.030 0.000 1.023 393 S CB 0.905 64.117 63.200 0.021 0.000 0.876 393 S HN -0.059 nan 8.310 nan 0.000 0.540 394 V N 2.207 122.147 119.914 0.043 0.000 2.427 394 V HA -0.108 4.011 4.120 -0.001 0.000 0.248 394 V C 2.323 178.436 176.094 0.032 0.000 1.051 394 V CA 1.770 64.073 62.300 0.004 0.000 1.048 394 V CB -0.977 30.828 31.823 -0.031 0.000 0.666 394 V HN 0.852 nan 8.190 nan 0.000 0.456 395 L N 0.224 121.557 121.223 0.183 0.000 2.083 395 L HA -0.145 4.195 4.340 -0.001 0.000 0.209 395 L C 2.470 179.389 176.870 0.082 0.000 1.083 395 L CA 1.933 56.895 54.840 0.204 0.000 0.752 395 L CB -0.761 41.400 42.059 0.169 0.000 0.899 395 L HN 0.161 nan 8.230 nan 0.000 0.433 396 R N -1.429 119.103 120.500 0.054 0.000 2.105 396 R HA -0.133 4.207 4.340 -0.001 0.000 0.239 396 R C 2.069 178.377 176.300 0.014 0.000 1.135 396 R CA 1.646 57.767 56.100 0.035 0.000 0.967 396 R CB -0.252 30.067 30.300 0.032 0.000 0.861 396 R HN 0.340 nan 8.270 nan 0.000 0.442 397 V N 0.412 120.323 119.914 -0.005 0.000 2.239 397 V HA -0.198 3.921 4.120 -0.001 0.000 0.242 397 V C 2.092 178.151 176.094 -0.058 0.000 1.038 397 V CA 1.687 63.965 62.300 -0.036 0.000 1.002 397 V CB -0.440 31.354 31.823 -0.049 0.000 0.641 397 V HN 0.322 nan 8.190 nan 0.000 0.449 398 R N 0.247 120.694 120.500 -0.089 0.000 2.249 398 R HA -0.228 4.111 4.340 -0.001 0.000 0.230 398 R C 1.928 178.227 176.300 -0.002 0.000 1.121 398 R CA 1.676 57.715 56.100 -0.102 0.000 0.997 398 R CB -0.570 29.600 30.300 -0.218 0.000 0.867 398 R HN 0.674 nan 8.270 nan 0.000 0.465 399 D N 1.250 121.672 120.400 0.036 0.000 2.144 399 D HA -0.159 4.480 4.640 -0.001 0.000 0.199 399 D C 1.505 177.877 176.300 0.121 0.000 0.984 399 D CA 1.387 55.447 54.000 0.100 0.000 0.834 399 D CB 0.237 41.076 40.800 0.064 0.000 0.955 399 D HN 0.180 nan 8.370 nan 0.000 0.465 400 K N -0.672 119.736 120.400 0.013 0.000 2.116 400 K HA -0.022 4.297 4.320 -0.001 0.000 0.203 400 K C 2.187 178.722 176.600 -0.109 0.000 1.052 400 K CA 1.116 57.361 56.287 -0.070 0.000 0.952 400 K CB -0.290 32.154 32.500 -0.094 0.000 0.729 400 K HN 0.088 nan 8.250 nan 0.000 0.446 401 T N 2.031 116.544 114.554 -0.068 0.000 2.708 401 T HA -0.071 4.279 4.350 -0.001 0.000 0.266 401 T C 1.642 176.353 174.700 0.017 0.000 1.037 401 T CA 1.322 63.392 62.100 -0.050 0.000 1.146 401 T CB -0.103 68.724 68.868 -0.068 0.000 0.865 401 T HN 0.164 nan 8.240 nan 0.000 0.435 402 M N 1.595 121.240 119.600 0.075 0.000 2.633 402 M HA 0.063 4.543 4.480 -0.001 0.000 0.226 402 M C 1.454 177.800 176.300 0.076 0.000 1.137 402 M CA 0.560 55.976 55.300 0.194 0.000 1.020 402 M CB 0.035 32.809 32.600 0.291 0.000 1.675 402 M HN 0.351 nan 8.290 nan 0.000 0.500 403 Q N -1.513 118.140 119.800 -0.246 0.000 2.086 403 Q HA 0.329 4.668 4.340 -0.001 0.000 0.220 403 Q C 0.652 176.252 176.000 -0.666 0.000 0.792 403 Q CA 0.383 55.733 55.803 -0.756 0.000 1.062 403 Q CB 0.755 28.657 28.738 -1.393 0.000 1.198 403 Q HN 0.355 nan 8.270 nan 0.000 0.466 404 G N 1.491 110.123 108.800 -0.280 0.000 2.159 404 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.256 404 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.256 404 G C 0.039 174.798 174.900 -0.235 0.000 0.977 404 G CA 0.290 45.275 45.100 -0.192 0.000 0.652 404 G HN 0.447 nan 8.290 nan 0.000 0.531 405 I N 2.969 123.348 120.570 -0.318 0.000 2.325 405 I HA 0.301 4.470 4.170 -0.001 0.000 0.291 405 I C -1.767 174.143 176.117 -0.345 0.000 1.019 405 I CA -2.312 58.736 61.300 -0.421 0.000 1.302 405 I CB 1.423 39.209 38.000 -0.356 0.000 1.401 405 I HN -0.098 nan 8.210 nan 0.000 0.485 406 P HA 0.187 nan 4.420 nan 0.000 0.281 406 P C -0.626 176.517 177.300 -0.262 0.000 1.252 406 P CA -0.145 62.798 63.100 -0.261 0.000 0.778 406 P CB 0.933 32.565 31.700 -0.114 0.000 0.895 407 T N 1.129 115.488 114.554 -0.325 0.000 2.870 407 T HA 0.472 4.821 4.350 -0.001 0.000 0.277 407 T C -0.147 174.174 174.700 -0.632 0.000 1.000 407 T CA -0.191 61.715 62.100 -0.323 0.000 0.982 407 T CB 0.923 69.688 68.868 -0.171 0.000 1.249 407 T HN 0.279 nan 8.240 nan 0.000 0.589 408 Y N -1.380 118.915 120.300 -0.007 0.000 2.795 408 Y HA 0.227 4.777 4.550 -0.001 0.000 0.274 408 Y C 1.158 177.018 175.900 -0.067 0.000 1.035 408 Y CA -0.677 57.406 58.100 -0.029 0.000 1.252 408 Y CB -0.154 38.302 38.460 -0.007 0.000 1.399 408 Y HN 0.502 nan 8.280 nan 0.000 0.579 409 D N 1.066 121.495 120.400 0.049 0.000 2.104 409 D HA -0.173 4.467 4.640 -0.001 0.000 0.194 409 D C 1.480 177.775 176.300 -0.009 0.000 0.994 409 D CA 1.765 55.778 54.000 0.021 0.000 0.830 409 D CB -0.038 40.767 40.800 0.008 0.000 0.959 409 D HN 0.386 nan 8.370 nan 0.000 0.452 410 E N 0.116 120.299 120.200 -0.028 0.000 2.463 410 E HA -0.111 4.239 4.350 -0.001 0.000 0.201 410 E C 1.970 178.450 176.600 -0.200 0.000 1.045 410 E CA -0.039 56.355 56.400 -0.010 0.000 0.872 410 E CB -0.096 29.632 29.700 0.047 0.000 0.797 410 E HN 0.383 nan 8.360 nan 0.000 0.538 411 L N 0.952 122.023 121.223 -0.253 0.000 2.079 411 L HA -0.264 4.076 4.340 -0.001 0.000 0.210 411 L C 2.870 179.523 176.870 -0.361 0.000 1.081 411 L CA 1.822 56.419 54.840 -0.404 0.000 0.752 411 L CB -0.538 41.344 42.059 -0.295 0.000 0.896 411 L HN 0.164 nan 8.230 nan 0.000 0.433 412 K N 0.463 120.766 120.400 -0.162 0.000 2.211 412 K HA -0.231 4.089 4.320 -0.001 0.000 0.204 412 K C 1.595 178.217 176.600 0.035 0.000 1.047 412 K CA 1.662 57.917 56.287 -0.053 0.000 0.935 412 K CB -1.569 30.949 32.500 0.029 0.000 0.728 412 K HN 0.805 nan 8.250 nan 0.000 0.452 413 W N -0.464 120.832 121.300 -0.006 0.000 2.392 413 W HA -0.104 4.556 4.660 -0.001 0.000 0.279 413 W C 1.418 177.938 176.519 0.001 0.000 1.225 413 W CA 0.635 57.986 57.345 0.011 0.000 1.233 413 W CB -0.547 28.889 29.460 -0.041 0.000 1.122 413 W HN 0.173 nan 8.180 nan 0.000 0.561 414 I N 1.994 122.410 120.570 -0.256 0.000 2.399 414 I HA -0.287 3.882 4.170 -0.001 0.000 0.254 414 I C 1.237 177.292 176.117 -0.103 0.000 1.146 414 I CA 1.691 62.787 61.300 -0.339 0.000 1.412 414 I CB -0.552 37.035 38.000 -0.688 0.000 1.076 414 I HN -0.160 nan 8.210 nan 0.000 0.432 415 D N -0.376 120.013 120.400 -0.018 0.000 2.352 415 D HA -0.103 4.536 4.640 -0.001 0.000 0.236 415 D C 1.373 177.760 176.300 0.145 0.000 1.148 415 D CA 0.049 54.060 54.000 0.018 0.000 0.844 415 D CB -0.239 40.553 40.800 -0.013 0.000 0.933 415 D HN 0.501 nan 8.370 nan 0.000 0.507 416 W N 0.795 122.116 121.300 0.035 0.000 2.338 416 W HA -0.112 4.548 4.660 -0.001 0.000 0.304 416 W C -0.289 176.251 176.519 0.036 0.000 1.212 416 W CA 0.838 58.223 57.345 0.068 0.000 1.264 416 W CB 0.313 29.828 29.460 0.092 0.000 1.142 416 W HN -0.046 nan 8.180 nan 0.000 0.512 417 L N -0.069 121.179 121.223 0.042 0.000 2.342 417 L HA 0.274 4.613 4.340 -0.001 0.000 0.271 417 L C -1.111 175.717 176.870 -0.070 0.000 1.008 417 L CA -2.326 52.464 54.840 -0.083 0.000 0.818 417 L CB 0.820 42.878 42.059 -0.002 0.000 1.296 417 L HN -0.359 nan 8.230 nan 0.000 0.427 418 P HA -0.277 nan 4.420 nan 0.000 0.217 418 P C 0.114 177.368 177.300 -0.076 0.000 0.937 418 P CA 1.688 64.746 63.100 -0.070 0.000 1.028 418 P CB 0.009 31.679 31.700 -0.051 0.000 0.735 419 N N -0.676 117.976 118.700 -0.079 0.000 2.671 419 N HA 0.167 4.907 4.740 -0.001 0.000 0.303 419 N C 0.396 175.778 175.510 -0.213 0.000 1.351 419 N CA 0.039 53.021 53.050 -0.115 0.000 0.991 419 N CB 0.001 38.446 38.487 -0.070 0.000 1.307 419 N HN 0.117 nan 8.380 nan 0.000 0.512 420 G N 0.542 109.211 108.800 -0.218 0.000 2.224 420 G HA2 0.308 4.268 3.960 -0.001 0.000 0.239 420 G HA3 0.308 4.268 3.960 -0.001 0.000 0.239 420 G C -0.218 174.347 174.900 -0.557 0.000 1.240 420 G CA -0.068 44.846 45.100 -0.311 0.000 0.896 420 G HN 0.335 nan 8.290 nan 0.000 0.496 421 A N 3.144 125.486 122.820 -0.797 0.000 2.475 421 A HA 0.791 5.111 4.320 -0.001 0.000 0.301 421 A C -0.467 176.740 177.584 -0.629 0.000 1.059 421 A CA -0.869 50.550 52.037 -1.030 0.000 0.710 421 A CB 1.480 19.755 19.000 -1.208 0.000 1.288 421 A HN 1.153 nan 8.150 nan 0.000 0.408 422 H N 0.042 118.998 119.070 -0.190 0.000 2.651 422 H HA 0.860 5.416 4.556 -0.001 0.000 0.353 422 H C -1.344 173.964 175.328 -0.033 0.000 1.178 422 H CA -2.204 53.783 56.048 -0.101 0.000 1.224 422 H CB 1.281 30.947 29.762 -0.160 0.000 1.702 422 H HN 0.869 nan 8.280 nan 0.000 0.550 423 L N 1.297 122.473 121.223 -0.079 0.000 2.580 423 L HA 0.421 4.761 4.340 -0.001 0.000 0.266 423 L C -2.012 174.683 176.870 -0.292 0.000 0.955 423 L CA -0.477 54.291 54.840 -0.118 0.000 0.886 423 L CB 1.022 43.170 42.059 0.149 0.000 1.263 423 L HN 0.462 nan 8.230 nan 0.000 0.406 424 F N 5.053 124.964 119.950 -0.064 0.000 2.396 424 F HA 0.448 4.975 4.527 -0.001 0.000 0.343 424 F C -0.220 175.672 175.800 0.153 0.000 1.104 424 F CA -0.012 57.982 58.000 -0.010 0.000 1.161 424 F CB 1.163 40.073 39.000 -0.150 0.000 1.146 424 F HN 0.430 nan 8.300 nan 0.000 0.522 425 F N 2.313 122.365 119.950 0.169 0.000 2.403 425 F HA 0.500 5.026 4.527 -0.001 0.000 0.355 425 F C -0.389 175.461 175.800 0.082 0.000 1.119 425 F CA -0.630 57.408 58.000 0.064 0.000 1.007 425 F CB 1.126 40.084 39.000 -0.070 0.000 1.194 425 F HN 0.274 nan 8.300 nan 0.000 0.443 426 S N 8.008 123.454 115.700 -0.424 0.000 2.257 426 S HA 0.306 4.776 4.470 -0.001 0.000 0.191 426 S C -2.678 171.721 174.600 -0.336 0.000 1.386 426 S CA -1.100 56.947 58.200 -0.255 0.000 1.233 426 S CB -0.076 63.233 63.200 0.182 0.000 1.138 426 S HN 0.467 nan 8.310 nan 0.000 0.483 427 P HA 0.344 nan 4.420 nan 0.000 0.274 427 P C -0.659 176.514 177.300 -0.212 0.000 1.246 427 P CA -0.484 62.390 63.100 -0.377 0.000 0.795 427 P CB 0.746 32.188 31.700 -0.430 0.000 1.006 428 I N 0.118 120.616 120.570 -0.120 0.000 2.530 428 I HA 0.606 4.775 4.170 -0.001 0.000 0.297 428 I C 0.348 176.434 176.117 -0.051 0.000 1.011 428 I CA -1.104 60.143 61.300 -0.088 0.000 1.107 428 I CB 1.132 39.095 38.000 -0.062 0.000 1.285 428 I HN 0.440 nan 8.210 nan 0.000 0.436 429 A N 5.709 128.520 122.820 -0.015 0.000 2.479 429 A HA 0.711 5.031 4.320 -0.001 0.000 0.296 429 A C -0.194 177.454 177.584 0.107 0.000 1.121 429 A CA -0.740 51.296 52.037 -0.001 0.000 0.743 429 A CB 1.401 20.335 19.000 -0.111 0.000 1.323 429 A HN 0.656 nan 8.150 nan 0.000 0.415 430 K N -0.563 119.935 120.400 0.163 0.000 2.156 430 K HA 0.351 4.670 4.320 -0.001 0.000 0.242 430 K C -0.361 176.267 176.600 0.047 0.000 1.033 430 K CA -0.033 56.320 56.287 0.110 0.000 0.878 430 K CB 0.400 32.970 32.500 0.116 0.000 1.057 430 K HN 0.295 nan 8.250 nan 0.000 0.505 431 V N 2.014 121.942 119.914 0.023 0.000 2.169 431 V HA 0.114 4.233 4.120 -0.001 0.000 0.271 431 V C -0.523 175.544 176.094 -0.045 0.000 1.372 431 V CA -0.236 62.051 62.300 -0.022 0.000 1.348 431 V CB -0.565 31.257 31.823 -0.002 0.000 1.379 431 V HN 0.701 nan 8.190 nan 0.000 0.491 432 S N 0.838 116.504 115.700 -0.057 0.000 2.572 432 S HA 0.582 5.052 4.470 -0.001 0.000 0.274 432 S C 1.119 175.662 174.600 -0.095 0.000 1.150 432 S CA 0.100 58.263 58.200 -0.060 0.000 0.944 432 S CB 1.887 65.079 63.200 -0.013 0.000 1.071 432 S HN 0.525 nan 8.310 nan 0.000 0.479 433 G N 2.653 111.377 108.800 -0.127 0.000 2.529 433 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.219 433 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.219 433 G C 1.053 175.901 174.900 -0.085 0.000 1.177 433 G CA 1.408 46.416 45.100 -0.152 0.000 0.773 433 G HN 0.951 nan 8.290 nan 0.000 0.573 434 E N 0.306 120.487 120.200 -0.033 0.000 2.065 434 E HA -0.254 4.096 4.350 -0.001 0.000 0.201 434 E C 2.067 178.712 176.600 0.075 0.000 1.016 434 E CA 1.801 58.213 56.400 0.020 0.000 0.818 434 E CB -0.352 29.364 29.700 0.027 0.000 0.749 434 E HN 0.435 nan 8.360 nan 0.000 0.453 435 D N -0.554 119.903 120.400 0.094 0.000 2.097 435 D HA -0.108 4.531 4.640 -0.001 0.000 0.197 435 D C 1.908 178.303 176.300 0.158 0.000 0.984 435 D CA 1.810 55.941 54.000 0.218 0.000 0.826 435 D CB -0.226 40.722 40.800 0.246 0.000 0.973 435 D HN 0.339 nan 8.370 nan 0.000 0.460 436 A N 0.356 123.174 122.820 -0.004 0.000 1.892 436 A HA -0.228 4.092 4.320 -0.001 0.000 0.218 436 A C 2.177 179.769 177.584 0.013 0.000 1.188 436 A CA 1.840 53.806 52.037 -0.119 0.000 0.631 436 A CB -0.586 18.144 19.000 -0.451 0.000 0.822 436 A HN 0.236 nan 8.150 nan 0.000 0.447 437 M N -1.380 118.233 119.600 0.023 0.000 2.065 437 M HA -0.149 4.331 4.480 -0.001 0.000 0.259 437 M C 2.411 178.835 176.300 0.207 0.000 1.069 437 M CA 1.961 57.344 55.300 0.139 0.000 1.110 437 M CB -1.238 31.417 32.600 0.091 0.000 1.328 437 M HN 0.597 nan 8.290 nan 0.000 0.405 438 M N -0.200 119.524 119.600 0.208 0.000 2.108 438 M HA -0.321 4.159 4.480 -0.001 0.000 0.257 438 M C 2.283 178.787 176.300 0.341 0.000 1.071 438 M CA 1.938 57.416 55.300 0.296 0.000 1.093 438 M CB -0.253 32.584 32.600 0.395 0.000 1.345 438 M HN 0.329 nan 8.290 nan 0.000 0.403 439 Q N -1.189 118.712 119.800 0.168 0.000 2.079 439 Q HA -0.240 4.099 4.340 -0.001 0.000 0.200 439 Q C 1.935 178.036 176.000 0.168 0.000 0.974 439 Q CA 1.830 57.536 55.803 -0.162 0.000 0.840 439 Q CB -0.300 28.099 28.738 -0.566 0.000 0.898 439 Q HN 0.655 nan 8.270 nan 0.000 0.430 440 Y N 0.523 120.921 120.300 0.162 0.000 2.181 440 Y HA -0.222 4.328 4.550 -0.001 0.000 0.288 440 Y C 1.913 177.815 175.900 0.004 0.000 1.146 440 Y CA 1.322 59.509 58.100 0.145 0.000 1.164 440 Y CB -0.770 37.809 38.460 0.199 0.000 0.982 440 Y HN 0.195 nan 8.280 nan 0.000 0.515 441 A N -0.126 122.647 122.820 -0.079 0.000 1.849 441 A HA -0.234 4.085 4.320 -0.001 0.000 0.217 441 A C 2.426 179.954 177.584 -0.094 0.000 1.202 441 A CA 2.852 54.804 52.037 -0.141 0.000 0.629 441 A CB -1.495 17.515 19.000 0.016 0.000 0.834 441 A HN 0.314 nan 8.150 nan 0.000 0.447 442 V N -0.004 119.933 119.914 0.039 0.000 2.317 442 V HA -0.291 3.828 4.120 -0.001 0.000 0.251 442 V C 2.702 178.805 176.094 0.015 0.000 1.065 442 V CA 2.627 64.969 62.300 0.069 0.000 1.049 442 V CB -1.388 30.560 31.823 0.208 0.000 0.651 442 V HN 0.681 nan 8.190 nan 0.000 0.450 443 T N -1.156 113.408 114.554 0.016 0.000 2.985 443 T HA -0.137 4.212 4.350 -0.001 0.000 0.266 443 T C 1.892 176.596 174.700 0.007 0.000 1.076 443 T CA 1.324 63.445 62.100 0.035 0.000 1.135 443 T CB -0.050 68.937 68.868 0.199 0.000 0.890 443 T HN 0.455 nan 8.240 nan 0.000 0.480 444 K N 1.521 121.811 120.400 -0.184 0.000 2.031 444 K HA -0.110 4.209 4.320 -0.001 0.000 0.205 444 K C 2.628 179.175 176.600 -0.088 0.000 1.049 444 K CA 1.138 57.277 56.287 -0.247 0.000 0.939 444 K CB -0.091 32.019 32.500 -0.650 0.000 0.717 444 K HN 0.115 nan 8.250 nan 0.000 0.438 445 K N 0.762 121.111 120.400 -0.086 0.000 2.032 445 K HA -0.120 4.199 4.320 -0.001 0.000 0.209 445 K C 2.106 178.722 176.600 0.026 0.000 1.048 445 K CA 1.568 57.841 56.287 -0.022 0.000 0.927 445 K CB -0.410 32.080 32.500 -0.017 0.000 0.712 445 K HN 0.272 nan 8.250 nan 0.000 0.441 446 R N -0.029 120.477 120.500 0.011 0.000 2.092 446 R HA 0.044 4.384 4.340 -0.001 0.000 0.231 446 R C 2.669 179.013 176.300 0.074 0.000 1.119 446 R CA 1.513 57.630 56.100 0.028 0.000 0.970 446 R CB -1.710 28.518 30.300 -0.119 0.000 0.864 446 R HN 0.480 nan 8.270 nan 0.000 0.440 447 C N 0.642 119.975 119.300 0.054 0.000 2.425 447 C HA -0.091 4.369 4.460 -0.001 0.000 0.277 447 C C 2.783 177.833 174.990 0.100 0.000 1.280 447 C CA 0.642 59.712 59.018 0.087 0.000 1.744 447 C CB -0.642 27.182 27.740 0.139 0.000 1.989 447 C HN 0.468 nan 8.230 nan 0.000 0.491 448 Q N 0.897 120.746 119.800 0.082 0.000 2.046 448 Q HA -0.133 4.206 4.340 -0.001 0.000 0.200 448 Q C 2.039 178.089 176.000 0.083 0.000 0.975 448 Q CA 1.596 57.443 55.803 0.074 0.000 0.836 448 Q CB -0.218 28.549 28.738 0.049 0.000 0.896 448 Q HN 0.635 nan 8.270 nan 0.000 0.428 449 E N -0.478 119.786 120.200 0.107 0.000 2.147 449 E HA -0.234 4.115 4.350 -0.001 0.000 0.199 449 E C 1.470 178.125 176.600 0.093 0.000 1.005 449 E CA 1.094 57.560 56.400 0.110 0.000 0.810 449 E CB -0.211 29.611 29.700 0.204 0.000 0.736 449 E HN 0.419 nan 8.360 nan 0.000 0.460 450 A N 0.202 123.127 122.820 0.175 0.000 2.238 450 A HA 0.279 4.598 4.320 -0.001 0.000 0.208 450 A C 1.607 179.239 177.584 0.080 0.000 1.177 450 A CA 0.707 52.829 52.037 0.142 0.000 0.804 450 A CB -0.155 18.995 19.000 0.250 0.000 0.823 450 A HN 0.321 nan 8.150 nan 0.000 0.482 451 G N -1.107 107.738 108.800 0.074 0.000 2.171 451 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.238 451 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.238 451 G C -0.186 174.769 174.900 0.093 0.000 1.039 451 G CA 0.334 45.475 45.100 0.068 0.000 0.759 451 G HN 0.461 nan 8.290 nan 0.000 0.501 452 L N 0.299 121.585 121.223 0.105 0.000 2.365 452 L HA 0.444 4.784 4.340 -0.001 0.000 0.273 452 L C -0.182 176.761 176.870 0.123 0.000 1.000 452 L CA -1.184 53.729 54.840 0.122 0.000 0.819 452 L CB 1.499 43.622 42.059 0.107 0.000 1.284 452 L HN 0.000 nan 8.230 nan 0.000 0.418 453 D N 2.053 122.543 120.400 0.150 0.000 2.425 453 D HA 0.026 4.666 4.640 -0.001 0.000 0.247 453 D C -0.422 175.892 176.300 0.025 0.000 1.147 453 D CA 0.270 54.341 54.000 0.119 0.000 0.879 453 D CB 1.112 42.019 40.800 0.179 0.000 1.179 453 D HN 0.166 nan 8.370 nan 0.000 0.456 454 F N 3.531 123.418 119.950 -0.106 0.000 2.504 454 F HA 0.261 4.788 4.527 -0.001 0.000 0.369 454 F C -0.160 175.406 175.800 -0.390 0.000 1.082 454 F CA -0.134 57.754 58.000 -0.186 0.000 1.216 454 F CB 0.155 39.065 39.000 -0.150 0.000 1.108 454 F HN 0.179 nan 8.300 nan 0.000 0.554 455 I N 6.870 126.740 120.570 -1.166 0.000 2.540 455 I HA 0.505 4.675 4.170 -0.001 0.000 0.280 455 I C -0.019 175.474 176.117 -1.040 0.000 1.083 455 I CA -0.432 60.264 61.300 -1.007 0.000 1.080 455 I CB 1.202 38.752 38.000 -0.750 0.000 1.205 455 I HN 0.775 nan 8.210 nan 0.000 0.459 456 G N 4.387 112.655 108.800 -0.887 0.000 2.866 456 G HA2 0.761 4.721 3.960 -0.001 0.000 0.289 456 G HA3 0.761 4.721 3.960 -0.001 0.000 0.289 456 G C -1.879 173.014 174.900 -0.010 0.000 1.396 456 G CA -0.318 44.542 45.100 -0.400 0.000 0.848 456 G HN 0.534 nan 8.290 nan 0.000 0.515 457 E N -0.718 119.505 120.200 0.037 0.000 2.375 457 E HA 0.481 4.831 4.350 -0.001 0.000 0.280 457 E C -2.026 174.550 176.600 -0.039 0.000 0.972 457 E CA -0.669 55.809 56.400 0.131 0.000 0.782 457 E CB 1.939 31.681 29.700 0.071 0.000 1.229 457 E HN 0.200 nan 8.360 nan 0.000 0.439 458 F N 1.401 121.387 119.950 0.061 0.000 2.436 458 F HA 0.349 4.876 4.527 -0.001 0.000 0.340 458 F C 0.624 176.460 175.800 0.059 0.000 1.113 458 F CA -0.491 57.500 58.000 -0.015 0.000 1.022 458 F CB 2.140 41.055 39.000 -0.141 0.000 1.128 458 F HN 0.353 nan 8.300 nan 0.000 0.466 459 T N 0.406 115.101 114.554 0.235 0.000 2.758 459 T HA 0.618 4.967 4.350 -0.001 0.000 0.285 459 T C -0.712 174.071 174.700 0.138 0.000 0.981 459 T CA -0.787 61.423 62.100 0.183 0.000 0.965 459 T CB 0.901 69.864 68.868 0.158 0.000 0.927 459 T HN 0.302 nan 8.240 nan 0.000 0.448 460 V N 4.363 124.366 119.914 0.149 0.000 2.339 460 V HA 0.571 4.690 4.120 -0.001 0.000 0.261 460 V C 1.322 177.469 176.094 0.088 0.000 1.058 460 V CA -0.537 61.845 62.300 0.136 0.000 0.897 460 V CB 0.043 31.985 31.823 0.198 0.000 1.052 460 V HN 1.142 nan 8.190 nan 0.000 0.480 461 G N 2.759 111.592 108.800 0.055 0.000 2.588 461 G HA2 0.374 4.334 3.960 -0.001 0.000 0.281 461 G HA3 0.374 4.334 3.960 -0.001 0.000 0.281 461 G C 0.678 175.619 174.900 0.068 0.000 1.236 461 G CA -0.570 44.550 45.100 0.035 0.000 0.969 461 G HN 0.587 nan 8.290 nan 0.000 0.504 462 M N -0.648 118.990 119.600 0.064 0.000 2.065 462 M HA -0.019 4.461 4.480 -0.001 0.000 0.259 462 M C 2.072 178.411 176.300 0.065 0.000 1.069 462 M CA 1.861 57.202 55.300 0.069 0.000 1.110 462 M CB -0.137 32.501 32.600 0.064 0.000 1.328 462 M HN 0.505 nan 8.290 nan 0.000 0.405 463 R N -0.655 119.883 120.500 0.064 0.000 2.566 463 R HA 0.210 4.549 4.340 -0.001 0.000 0.388 463 R C -0.861 175.479 176.300 0.066 0.000 0.989 463 R CA 0.040 56.175 56.100 0.058 0.000 1.164 463 R CB 0.647 30.979 30.300 0.053 0.000 1.459 463 R HN 0.419 nan 8.270 nan 0.000 0.553 464 E N -0.054 120.193 120.200 0.079 0.000 2.433 464 E HA 0.459 4.809 4.350 -0.001 0.000 0.278 464 E C -0.962 175.709 176.600 0.119 0.000 0.976 464 E CA -0.796 55.662 56.400 0.097 0.000 0.793 464 E CB 1.340 31.105 29.700 0.108 0.000 1.311 464 E HN -0.136 nan 8.360 nan 0.000 0.460 465 M N 1.573 121.255 119.600 0.137 0.000 2.263 465 M HA 0.342 4.822 4.480 -0.001 0.000 0.295 465 M C -1.413 175.008 176.300 0.201 0.000 1.028 465 M CA -0.834 54.575 55.300 0.182 0.000 0.921 465 M CB 2.013 34.721 32.600 0.180 0.000 1.601 465 M HN 0.595 nan 8.290 nan 0.000 0.440 466 H N 2.015 121.073 119.070 -0.020 0.000 2.782 466 H HA 0.194 4.750 4.556 -0.001 0.000 0.285 466 H C -0.458 174.844 175.328 -0.044 0.000 1.093 466 H CA 0.276 56.251 56.048 -0.122 0.000 1.410 466 H CB 0.042 29.639 29.762 -0.275 0.000 1.439 466 H HN 0.317 nan 8.280 nan 0.000 0.469 467 H N 5.391 124.374 119.070 -0.145 0.000 2.741 467 H HA 0.143 4.699 4.556 -0.001 0.000 0.282 467 H C -0.585 174.589 175.328 -0.257 0.000 1.122 467 H CA -1.015 54.816 56.048 -0.362 0.000 1.293 467 H CB -0.150 29.345 29.762 -0.445 0.000 1.415 467 H HN 0.450 nan 8.280 nan 0.000 0.472 468 I N 7.497 128.112 120.570 0.074 0.000 2.276 468 I HA 0.046 4.216 4.170 -0.001 0.000 0.290 468 I C 0.240 176.377 176.117 0.034 0.000 1.109 468 I CA -0.602 60.730 61.300 0.053 0.000 1.229 468 I CB 0.128 38.148 38.000 0.034 0.000 1.452 468 I HN 0.213 nan 8.210 nan 0.000 0.497 469 V N 5.649 125.532 119.914 -0.051 0.000 2.446 469 V HA -0.020 4.099 4.120 -0.001 0.000 0.276 469 V C 0.485 176.554 176.094 -0.042 0.000 1.030 469 V CA -0.073 62.148 62.300 -0.131 0.000 1.033 469 V CB 0.491 32.315 31.823 0.002 0.000 0.993 469 V HN 0.743 nan 8.190 nan 0.000 0.477 470 C N 7.213 126.381 119.300 -0.220 0.000 2.116 470 C HA 0.432 4.892 4.460 -0.001 0.000 0.367 470 C C 0.685 175.556 174.990 -0.199 0.000 1.039 470 C CA -1.060 57.837 59.018 -0.202 0.000 1.465 470 C CB -1.691 25.706 27.740 -0.572 0.000 1.783 470 C HN 0.662 nan 8.230 nan 0.000 0.470 471 I N 3.378 123.905 120.570 -0.071 0.000 2.494 471 I HA 0.185 4.354 4.170 -0.001 0.000 0.289 471 I C 0.493 176.707 176.117 0.161 0.000 1.106 471 I CA 0.573 61.886 61.300 0.021 0.000 1.369 471 I CB 0.120 38.150 38.000 0.050 0.000 1.410 471 I HN 0.459 nan 8.210 nan 0.000 0.523 472 V N 7.888 127.910 119.914 0.180 0.000 2.667 472 V HA 0.809 4.928 4.120 -0.001 0.000 0.308 472 V C -0.820 175.437 176.094 0.273 0.000 1.048 472 V CA -0.407 62.018 62.300 0.208 0.000 0.928 472 V CB 1.779 33.740 31.823 0.230 0.000 1.004 472 V HN 0.632 nan 8.190 nan 0.000 0.444 473 F N 2.094 122.088 119.950 0.074 0.000 2.686 473 F HA 0.606 5.133 4.527 -0.001 0.000 0.311 473 F C -1.033 174.773 175.800 0.009 0.000 1.128 473 F CA -1.198 56.832 58.000 0.050 0.000 0.946 473 F CB 1.420 40.444 39.000 0.040 0.000 1.336 473 F HN 0.549 nan 8.300 nan 0.000 0.457 474 N N 2.043 120.868 118.700 0.208 0.000 2.415 474 N HA 0.137 4.877 4.740 -0.001 0.000 0.246 474 N C 0.521 176.158 175.510 0.211 0.000 1.078 474 N CA -0.290 52.814 53.050 0.090 0.000 0.942 474 N CB 1.182 39.720 38.487 0.084 0.000 1.140 474 N HN 0.868 nan 8.380 nan 0.000 0.501 475 K N 2.336 122.774 120.400 0.063 0.000 2.519 475 K HA -0.048 4.271 4.320 -0.001 0.000 0.196 475 K C 0.404 177.147 176.600 0.238 0.000 1.041 475 K CA 1.082 57.482 56.287 0.187 0.000 0.954 475 K CB 0.187 32.593 32.500 -0.156 0.000 0.774 475 K HN 0.355 nan 8.250 nan 0.000 0.480 476 K N 0.808 121.299 120.400 0.152 0.000 2.372 476 K HA 0.055 4.374 4.320 -0.001 0.000 0.200 476 K C -0.388 176.274 176.600 0.104 0.000 1.022 476 K CA -0.127 56.237 56.287 0.128 0.000 1.125 476 K CB 0.412 32.961 32.500 0.082 0.000 0.855 476 K HN 0.107 nan 8.250 nan 0.000 0.524 477 D N 1.484 121.957 120.400 0.121 0.000 2.396 477 D HA 0.113 4.753 4.640 -0.001 0.000 0.225 477 D C 1.020 177.370 176.300 0.083 0.000 1.121 477 D CA -0.135 53.920 54.000 0.091 0.000 0.853 477 D CB 0.915 41.772 40.800 0.095 0.000 1.043 477 D HN -0.027 nan 8.370 nan 0.000 0.500 478 L N 3.708 124.964 121.223 0.056 0.000 2.012 478 L HA -0.169 4.171 4.340 -0.001 0.000 0.210 478 L C 2.328 179.210 176.870 0.020 0.000 1.073 478 L CA 0.933 55.795 54.840 0.037 0.000 0.748 478 L CB -0.167 41.905 42.059 0.021 0.000 0.891 478 L HN 0.539 nan 8.230 nan 0.000 0.431 479 I N -0.565 120.015 120.570 0.016 0.000 2.179 479 I HA -0.335 3.835 4.170 -0.001 0.000 0.242 479 I C 2.682 178.802 176.117 0.004 0.000 1.088 479 I CA 1.534 62.836 61.300 0.003 0.000 1.357 479 I CB -0.252 37.748 38.000 -0.000 0.000 1.051 479 I HN 0.402 nan 8.210 nan 0.000 0.409 480 Q N 1.347 121.160 119.800 0.022 0.000 2.187 480 Q HA -0.195 4.144 4.340 -0.001 0.000 0.199 480 Q C 2.125 178.110 176.000 -0.025 0.000 0.957 480 Q CA 1.263 57.081 55.803 0.026 0.000 0.857 480 Q CB 0.103 28.883 28.738 0.071 0.000 0.929 480 Q HN 0.292 nan 8.270 nan 0.000 0.453 481 K N 0.068 120.451 120.400 -0.029 0.000 2.103 481 K HA -0.146 4.174 4.320 -0.001 0.000 0.207 481 K C 2.175 178.716 176.600 -0.099 0.000 1.048 481 K CA 1.575 57.786 56.287 -0.128 0.000 0.930 481 K CB 0.033 32.519 32.500 -0.023 0.000 0.716 481 K HN 0.146 nan 8.250 nan 0.000 0.444 482 R N 0.256 120.737 120.500 -0.032 0.000 2.115 482 R HA -0.015 4.325 4.340 -0.001 0.000 0.226 482 R C 2.003 178.329 176.300 0.043 0.000 1.100 482 R CA 0.968 57.068 56.100 0.001 0.000 0.980 482 R CB 0.119 30.419 30.300 -0.000 0.000 0.875 482 R HN 0.077 nan 8.270 nan 0.000 0.445 483 K N 0.142 120.558 120.400 0.027 0.000 2.057 483 K HA -0.084 4.235 4.320 -0.001 0.000 0.206 483 K C 2.017 178.686 176.600 0.115 0.000 1.050 483 K CA 1.249 57.590 56.287 0.090 0.000 0.935 483 K CB -0.088 32.443 32.500 0.051 0.000 0.715 483 K HN 0.045 nan 8.250 nan 0.000 0.439 484 V N 1.824 121.718 119.914 -0.032 0.000 2.343 484 V HA -0.248 3.871 4.120 -0.001 0.000 0.247 484 V C 2.341 178.374 176.094 -0.101 0.000 1.051 484 V CA 1.638 63.864 62.300 -0.123 0.000 1.036 484 V CB -0.539 31.072 31.823 -0.353 0.000 0.654 484 V HN 0.350 nan 8.190 nan 0.000 0.451 485 Q N -1.452 118.327 119.800 -0.035 0.000 2.135 485 Q HA -0.282 4.057 4.340 -0.001 0.000 0.204 485 Q C 2.066 178.112 176.000 0.077 0.000 0.981 485 Q CA 2.323 58.163 55.803 0.061 0.000 0.856 485 Q CB -0.261 28.540 28.738 0.106 0.000 0.902 485 Q HN 0.845 nan 8.270 nan 0.000 0.425 486 W N 0.725 121.992 121.300 -0.054 0.000 2.388 486 W HA -0.171 4.489 4.660 -0.001 0.000 0.294 486 W C 1.704 178.170 176.519 -0.087 0.000 1.212 486 W CA 0.758 58.074 57.345 -0.049 0.000 1.271 486 W CB -0.187 29.249 29.460 -0.040 0.000 1.126 486 W HN 0.140 nan 8.180 nan 0.000 0.535 487 L N 1.119 122.247 121.223 -0.158 0.000 1.994 487 L HA -0.152 4.188 4.340 -0.001 0.000 0.208 487 L C 2.521 179.060 176.870 -0.551 0.000 1.071 487 L CA 2.682 57.248 54.840 -0.457 0.000 0.745 487 L CB -1.440 40.523 42.059 -0.160 0.000 0.892 487 L HN 0.179 nan 8.230 nan 0.000 0.431 488 M N -0.180 119.151 119.600 -0.448 0.000 2.110 488 M HA -0.262 4.217 4.480 -0.001 0.000 0.257 488 M C 2.359 178.355 176.300 -0.506 0.000 1.071 488 M CA 2.002 56.955 55.300 -0.579 0.000 1.096 488 M CB -0.402 31.676 32.600 -0.871 0.000 1.300 488 M HN 0.205 nan 8.290 nan 0.000 0.411 489 R N -1.292 119.001 120.500 -0.345 0.000 2.120 489 R HA -0.091 4.249 4.340 -0.001 0.000 0.234 489 R C 1.997 178.122 176.300 -0.292 0.000 1.123 489 R CA 1.850 57.831 56.100 -0.197 0.000 0.975 489 R CB -1.057 29.209 30.300 -0.056 0.000 0.866 489 R HN 0.499 nan 8.270 nan 0.000 0.446 490 T N 1.910 116.151 114.554 -0.521 0.000 2.701 490 T HA -0.073 4.276 4.350 -0.001 0.000 0.263 490 T C 2.050 176.504 174.700 -0.410 0.000 1.040 490 T CA 0.982 62.754 62.100 -0.546 0.000 1.147 490 T CB -0.247 68.043 68.868 -0.963 0.000 0.865 490 T HN 0.100 nan 8.240 nan 0.000 0.426 491 L N 0.062 120.960 121.223 -0.541 0.000 2.012 491 L HA -0.095 4.245 4.340 -0.001 0.000 0.210 491 L C 2.465 179.137 176.870 -0.329 0.000 1.073 491 L CA 1.063 55.546 54.840 -0.595 0.000 0.748 491 L CB -0.744 40.559 42.059 -1.259 0.000 0.891 491 L HN 0.170 nan 8.230 nan 0.000 0.431 492 I N 0.180 120.610 120.570 -0.232 0.000 2.087 492 I HA -0.378 3.791 4.170 -0.001 0.000 0.240 492 I C 2.192 178.340 176.117 0.053 0.000 1.054 492 I CA 1.824 63.169 61.300 0.076 0.000 1.311 492 I CB -0.529 37.530 38.000 0.099 0.000 1.024 492 I HN 0.253 nan 8.210 nan 0.000 0.402 493 D N 0.435 120.822 120.400 -0.022 0.000 2.084 493 D HA -0.179 4.461 4.640 -0.001 0.000 0.194 493 D C 1.911 178.214 176.300 0.004 0.000 0.990 493 D CA 1.388 55.383 54.000 -0.008 0.000 0.826 493 D CB -0.532 40.250 40.800 -0.030 0.000 0.971 493 D HN 0.351 nan 8.370 nan 0.000 0.453 494 D N 0.075 120.467 120.400 -0.013 0.000 2.116 494 D HA -0.139 4.500 4.640 -0.001 0.000 0.193 494 D C 2.269 178.637 176.300 0.113 0.000 0.998 494 D CA 0.743 54.760 54.000 0.028 0.000 0.836 494 D CB -0.510 40.300 40.800 0.016 0.000 0.951 494 D HN 0.223 nan 8.370 nan 0.000 0.449 495 C N 1.218 120.646 119.300 0.214 0.000 2.413 495 C HA -0.103 4.357 4.460 -0.001 0.000 0.276 495 C C 2.974 178.093 174.990 0.215 0.000 1.248 495 C CA 0.828 60.099 59.018 0.421 0.000 1.742 495 C CB -1.041 27.032 27.740 0.554 0.000 2.017 495 C HN 0.385 nan 8.230 nan 0.000 0.481 496 A N 0.342 123.223 122.820 0.102 0.000 1.902 496 A HA 0.074 4.394 4.320 -0.001 0.000 0.217 496 A C 2.289 179.841 177.584 -0.053 0.000 1.181 496 A CA 1.915 53.951 52.037 -0.000 0.000 0.623 496 A CB -0.823 18.172 19.000 -0.008 0.000 0.818 496 A HN 0.606 nan 8.150 nan 0.000 0.443 497 A N -0.757 122.040 122.820 -0.038 0.000 2.216 497 A HA -0.042 4.277 4.320 -0.001 0.000 0.214 497 A C 1.457 178.956 177.584 -0.142 0.000 1.160 497 A CA 1.103 53.099 52.037 -0.067 0.000 0.725 497 A CB -0.362 18.618 19.000 -0.034 0.000 0.784 497 A HN 0.529 nan 8.150 nan 0.000 0.472 498 N N -0.913 117.642 118.700 -0.241 0.000 2.204 498 N HA 0.181 4.920 4.740 -0.001 0.000 0.219 498 N C 0.826 175.833 175.510 -0.838 0.000 1.151 498 N CA 0.761 53.485 53.050 -0.544 0.000 0.867 498 N CB 0.773 38.835 38.487 -0.709 0.000 1.043 498 N HN 0.520 nan 8.380 nan 0.000 0.516 499 G N 0.687 109.197 108.800 -0.483 0.000 2.160 499 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.244 499 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.244 499 G C -0.619 174.078 174.900 -0.338 0.000 1.022 499 G CA -0.234 44.624 45.100 -0.404 0.000 0.741 499 G HN 0.208 nan 8.290 nan 0.000 0.508 500 W N -0.328 120.959 121.300 -0.021 0.000 2.702 500 W HA 0.716 5.376 4.660 -0.001 0.000 0.331 500 W C 0.450 176.926 176.519 -0.072 0.000 1.049 500 W CA -0.923 56.410 57.345 -0.020 0.000 1.230 500 W CB 1.960 31.439 29.460 0.031 0.000 1.408 500 W HN 0.517 nan 8.180 nan 0.000 0.492 501 G N 1.358 110.238 108.800 0.133 0.000 2.498 501 G HA2 0.592 4.552 3.960 -0.001 0.000 0.312 501 G HA3 0.592 4.552 3.960 -0.001 0.000 0.312 501 G C -1.326 173.632 174.900 0.096 0.000 1.230 501 G CA -0.610 44.480 45.100 -0.018 0.000 0.968 501 G HN 0.232 nan 8.290 nan 0.000 0.481 502 E N -0.654 119.616 120.200 0.117 0.000 2.277 502 E HA 0.293 4.643 4.350 -0.001 0.000 0.274 502 E C -0.037 176.650 176.600 0.145 0.000 1.022 502 E CA -0.606 55.830 56.400 0.058 0.000 0.853 502 E CB 1.367 31.061 29.700 -0.010 0.000 1.086 502 E HN 0.585 nan 8.360 nan 0.000 0.397 503 Y N 1.974 122.213 120.300 -0.101 0.000 2.482 503 Y HA 0.351 4.900 4.550 -0.001 0.000 0.270 503 Y C 0.135 175.945 175.900 -0.150 0.000 1.152 503 Y CA -0.194 57.823 58.100 -0.138 0.000 1.292 503 Y CB 0.598 38.887 38.460 -0.285 0.000 1.070 503 Y HN 0.349 nan 8.280 nan 0.000 0.528 504 R N 0.266 120.362 120.500 -0.673 0.000 2.725 504 R HA 0.465 4.804 4.340 -0.001 0.000 0.254 504 R C -1.777 174.240 176.300 -0.473 0.000 1.076 504 R CA 0.088 55.697 56.100 -0.818 0.000 0.940 504 R CB 1.066 30.475 30.300 -1.484 0.000 1.260 504 R HN 0.212 nan 8.270 nan 0.000 0.466 505 T N 0.592 114.929 114.554 -0.361 0.000 2.681 505 T HA 0.324 4.674 4.350 -0.001 0.000 0.296 505 T C -1.221 173.642 174.700 0.272 0.000 1.157 505 T CA -0.873 61.276 62.100 0.081 0.000 1.025 505 T CB 0.770 69.796 68.868 0.262 0.000 1.441 505 T HN 0.602 nan 8.240 nan 0.000 0.504 506 H N 0.325 119.678 119.070 0.471 0.000 2.505 506 H HA 0.395 4.950 4.556 -0.001 0.000 0.355 506 H C 1.197 176.621 175.328 0.160 0.000 1.179 506 H CA -0.638 55.657 56.048 0.412 0.000 1.343 506 H CB 0.690 30.786 29.762 0.557 0.000 1.501 506 H HN 0.560 nan 8.280 nan 0.000 0.569 507 L N 2.341 123.407 121.223 -0.261 0.000 2.064 507 L HA -0.280 4.059 4.340 -0.001 0.000 0.216 507 L C 2.401 179.152 176.870 -0.198 0.000 1.077 507 L CA 1.877 56.484 54.840 -0.389 0.000 0.766 507 L CB -0.703 40.718 42.059 -1.062 0.000 0.890 507 L HN 0.675 nan 8.230 nan 0.000 0.435 508 A N -1.583 121.207 122.820 -0.050 0.000 2.235 508 A HA -0.011 4.308 4.320 -0.001 0.000 0.208 508 A C 1.406 178.509 177.584 -0.803 0.000 1.172 508 A CA 0.720 52.560 52.037 -0.329 0.000 0.786 508 A CB -0.360 18.323 19.000 -0.528 0.000 0.804 508 A HN 0.417 nan 8.150 nan 0.000 0.479 509 F N -2.358 117.746 119.950 0.258 0.000 2.706 509 F HA 0.325 4.852 4.527 -0.001 0.000 0.313 509 F C 1.814 177.721 175.800 0.179 0.000 1.096 509 F CA -0.301 57.820 58.000 0.201 0.000 1.219 509 F CB -0.409 38.706 39.000 0.191 0.000 1.051 509 F HN 0.032 nan 8.300 nan 0.000 0.568 510 M N 0.455 120.183 119.600 0.212 0.000 2.110 510 M HA -0.288 4.192 4.480 -0.001 0.000 0.257 510 M C 1.814 178.220 176.300 0.177 0.000 1.071 510 M CA 2.090 57.483 55.300 0.155 0.000 1.096 510 M CB -0.363 32.282 32.600 0.075 0.000 1.300 510 M HN 0.076 nan 8.290 nan 0.000 0.411 511 D N -0.544 119.981 120.400 0.210 0.000 2.084 511 D HA -0.210 4.430 4.640 -0.001 0.000 0.194 511 D C 1.878 178.302 176.300 0.206 0.000 0.990 511 D CA 1.385 55.523 54.000 0.231 0.000 0.826 511 D CB -0.512 40.451 40.800 0.271 0.000 0.971 511 D HN 0.521 nan 8.370 nan 0.000 0.453 512 Q N 0.439 120.368 119.800 0.215 0.000 2.002 512 Q HA -0.172 4.168 4.340 -0.001 0.000 0.204 512 Q C 2.510 178.637 176.000 0.211 0.000 0.988 512 Q CA 1.152 57.079 55.803 0.207 0.000 0.843 512 Q CB -0.192 28.688 28.738 0.238 0.000 0.908 512 Q HN 0.221 nan 8.270 nan 0.000 0.420 513 I N 0.344 121.063 120.570 0.248 0.000 2.151 513 I HA -0.332 3.838 4.170 -0.001 0.000 0.243 513 I C 2.539 178.831 176.117 0.293 0.000 1.080 513 I CA 1.393 62.846 61.300 0.256 0.000 1.339 513 I CB -0.179 37.981 38.000 0.266 0.000 1.039 513 I HN 0.405 nan 8.210 nan 0.000 0.409 514 M N 0.622 120.377 119.600 0.258 0.000 2.279 514 M HA -0.215 4.264 4.480 -0.001 0.000 0.264 514 M C 1.925 178.390 176.300 0.274 0.000 1.062 514 M CA 1.729 57.197 55.300 0.279 0.000 1.099 514 M CB -0.440 32.276 32.600 0.194 0.000 1.394 514 M HN 0.121 nan 8.290 nan 0.000 0.426 515 E N -0.890 119.436 120.200 0.209 0.000 2.268 515 E HA -0.108 4.241 4.350 -0.001 0.000 0.195 515 E C 1.639 178.329 176.600 0.150 0.000 0.995 515 E CA 1.607 58.108 56.400 0.169 0.000 0.836 515 E CB -0.570 29.210 29.700 0.133 0.000 0.763 515 E HN 0.520 nan 8.360 nan 0.000 0.491 516 T N -0.470 114.166 114.554 0.137 0.000 2.867 516 T HA -0.113 4.237 4.350 -0.001 0.000 0.268 516 T C -0.096 174.578 174.700 -0.043 0.000 1.057 516 T CA 0.841 62.952 62.100 0.019 0.000 1.136 516 T CB -0.281 68.561 68.868 -0.043 0.000 0.874 516 T HN 0.212 nan 8.240 nan 0.000 0.466 517 Y N 2.903 123.248 120.300 0.075 0.000 2.826 517 Y HA 0.239 4.788 4.550 -0.001 0.000 0.371 517 Y C 0.996 176.974 175.900 0.130 0.000 1.252 517 Y CA -0.996 57.134 58.100 0.049 0.000 1.813 517 Y CB -0.522 37.899 38.460 -0.064 0.000 1.913 517 Y HN 0.235 nan 8.280 nan 0.000 0.447 518 N N -1.292 117.541 118.700 0.223 0.000 2.273 518 N HA -0.056 4.683 4.740 -0.001 0.000 0.231 518 N C -0.137 175.498 175.510 0.209 0.000 1.134 518 N CA -0.509 52.666 53.050 0.208 0.000 0.856 518 N CB -0.307 38.262 38.487 0.137 0.000 1.068 518 N HN 0.437 nan 8.380 nan 0.000 0.510 519 W N 2.720 124.068 121.300 0.080 0.000 2.364 519 W HA 0.015 4.674 4.660 -0.001 0.000 0.343 519 W C 0.853 177.415 176.519 0.072 0.000 1.237 519 W CA 1.077 58.457 57.345 0.058 0.000 1.319 519 W CB -0.100 29.388 29.460 0.047 0.000 1.179 519 W HN 0.474 nan 8.180 nan 0.000 0.578 520 N N 4.748 122.897 118.700 -0.920 0.000 2.688 520 N HA -0.345 4.395 4.740 -0.001 0.000 0.258 520 N C -0.194 175.132 175.510 -0.308 0.000 1.016 520 N CA 0.746 53.279 53.050 -0.861 0.000 0.747 520 N CB -1.117 36.633 38.487 -1.229 0.000 0.895 520 N HN 0.773 nan 8.380 nan 0.000 0.543 521 N N -0.399 118.191 118.700 -0.183 0.000 2.735 521 N HA -0.185 4.554 4.740 -0.001 0.000 0.248 521 N C -0.270 175.251 175.510 0.017 0.000 1.083 521 N CA 1.507 54.520 53.050 -0.061 0.000 0.703 521 N CB -1.486 36.958 38.487 -0.072 0.000 1.005 521 N HN 0.632 nan 8.380 nan 0.000 0.550 522 S N -2.883 112.862 115.700 0.074 0.000 3.593 522 S HA -0.244 4.226 4.470 -0.001 0.000 0.301 522 S C 1.346 176.051 174.600 0.176 0.000 1.209 522 S CA 1.174 59.465 58.200 0.151 0.000 0.878 522 S CB -1.522 61.758 63.200 0.134 0.000 1.000 522 S HN 0.813 nan 8.310 nan 0.000 0.578 523 S N 0.289 116.087 115.700 0.163 0.000 2.387 523 S HA -0.164 4.306 4.470 -0.001 0.000 0.230 523 S C 1.340 176.094 174.600 0.257 0.000 1.035 523 S CA 1.755 60.062 58.200 0.179 0.000 1.014 523 S CB -0.355 62.929 63.200 0.140 0.000 0.836 523 S HN 0.654 nan 8.310 nan 0.000 0.466 524 F N 1.294 121.353 119.950 0.182 0.000 2.171 524 F HA 0.038 4.565 4.527 -0.001 0.000 0.300 524 F C 1.848 177.744 175.800 0.160 0.000 1.090 524 F CA 1.493 59.594 58.000 0.169 0.000 1.293 524 F CB -0.362 38.727 39.000 0.150 0.000 1.013 524 F HN 0.346 nan 8.300 nan 0.000 0.486 525 L N 0.446 121.806 121.223 0.229 0.000 2.179 525 L HA -0.022 4.318 4.340 -0.001 0.000 0.208 525 L C 2.382 179.283 176.870 0.050 0.000 1.096 525 L CA 1.235 56.130 54.840 0.092 0.000 0.779 525 L CB -0.745 41.409 42.059 0.159 0.000 0.922 525 L HN -0.104 nan 8.230 nan 0.000 0.443 526 R N -0.515 120.050 120.500 0.107 0.000 2.094 526 R HA -0.232 4.108 4.340 -0.001 0.000 0.239 526 R C 2.255 178.596 176.300 0.070 0.000 1.137 526 R CA 2.164 58.325 56.100 0.101 0.000 0.943 526 R CB -1.595 28.778 30.300 0.121 0.000 0.850 526 R HN 0.473 nan 8.270 nan 0.000 0.433 527 F N 2.299 122.208 119.950 -0.068 0.000 2.269 527 F HA -0.089 4.438 4.527 -0.001 0.000 0.301 527 F C 1.857 177.548 175.800 -0.181 0.000 1.082 527 F CA 1.081 59.016 58.000 -0.108 0.000 1.360 527 F CB -0.137 38.804 39.000 -0.098 0.000 1.041 527 F HN 0.007 nan 8.300 nan 0.000 0.512 528 N N 0.620 119.190 118.700 -0.216 0.000 2.216 528 N HA -0.151 4.589 4.740 -0.001 0.000 0.183 528 N C 1.686 177.049 175.510 -0.244 0.000 1.017 528 N CA 1.420 54.278 53.050 -0.321 0.000 0.861 528 N CB -0.234 38.048 38.487 -0.342 0.000 0.986 528 N HN 0.519 nan 8.380 nan 0.000 0.428 529 E N 0.571 120.694 120.200 -0.128 0.000 2.077 529 E HA -0.107 4.242 4.350 -0.001 0.000 0.193 529 E C 2.063 178.604 176.600 -0.098 0.000 0.989 529 E CA 0.764 57.131 56.400 -0.055 0.000 0.800 529 E CB 0.083 29.814 29.700 0.051 0.000 0.746 529 E HN 0.075 nan 8.360 nan 0.000 0.452 530 V N 1.653 121.475 119.914 -0.154 0.000 2.255 530 V HA -0.283 3.837 4.120 -0.001 0.000 0.247 530 V C 2.343 178.292 176.094 -0.243 0.000 1.051 530 V CA 1.680 63.871 62.300 -0.181 0.000 1.018 530 V CB -0.520 31.174 31.823 -0.214 0.000 0.641 530 V HN 0.258 nan 8.190 nan 0.000 0.445 531 L N -0.165 120.825 121.223 -0.388 0.000 2.083 531 L HA -0.177 4.162 4.340 -0.001 0.000 0.209 531 L C 2.560 179.298 176.870 -0.219 0.000 1.083 531 L CA 1.736 56.372 54.840 -0.341 0.000 0.752 531 L CB -0.708 41.089 42.059 -0.438 0.000 0.899 531 L HN 0.292 nan 8.230 nan 0.000 0.433 532 K N 0.671 120.951 120.400 -0.200 0.000 2.057 532 K HA -0.140 4.179 4.320 -0.001 0.000 0.207 532 K C 1.868 178.419 176.600 -0.081 0.000 1.049 532 K CA 1.430 57.636 56.287 -0.136 0.000 0.931 532 K CB -0.176 32.251 32.500 -0.121 0.000 0.714 532 K HN 0.196 nan 8.250 nan 0.000 0.440 533 N N 0.439 119.102 118.700 -0.062 0.000 2.244 533 N HA -0.076 4.663 4.740 -0.001 0.000 0.183 533 N C 1.590 177.079 175.510 -0.035 0.000 1.016 533 N CA 1.142 54.176 53.050 -0.026 0.000 0.866 533 N CB -0.280 38.202 38.487 -0.008 0.000 0.980 533 N HN 0.333 nan 8.380 nan 0.000 0.430 534 A N 0.992 123.774 122.820 -0.063 0.000 1.873 534 A HA -0.165 4.155 4.320 -0.001 0.000 0.218 534 A C 2.337 179.898 177.584 -0.039 0.000 1.193 534 A CA 2.461 54.465 52.037 -0.055 0.000 0.629 534 A CB -0.867 18.084 19.000 -0.082 0.000 0.826 534 A HN 0.231 nan 8.150 nan 0.000 0.447 535 V N -3.722 116.164 119.914 -0.047 0.000 3.506 535 V HA 0.205 4.324 4.120 -0.001 0.000 0.263 535 V C 0.455 176.541 176.094 -0.012 0.000 1.203 535 V CA 1.484 63.767 62.300 -0.028 0.000 1.133 535 V CB 0.061 31.861 31.823 -0.038 0.000 0.802 535 V HN 0.389 nan 8.190 nan 0.000 0.459 536 D N 0.662 121.055 120.400 -0.013 0.000 2.656 536 D HA 0.358 4.998 4.640 -0.001 0.000 0.303 536 D C -1.819 174.495 176.300 0.024 0.000 1.199 536 D CA -1.787 52.217 54.000 0.007 0.000 0.797 536 D CB 1.465 42.264 40.800 -0.003 0.000 1.170 536 D HN 0.208 nan 8.370 nan 0.000 0.509 537 P HA -0.056 nan 4.420 nan 0.000 0.218 537 P C 0.630 177.960 177.300 0.050 0.000 1.149 537 P CA 0.824 63.943 63.100 0.031 0.000 0.817 537 P CB 0.411 32.124 31.700 0.022 0.000 0.785 538 N N -0.888 117.850 118.700 0.063 0.000 2.270 538 N HA 0.106 4.846 4.740 -0.001 0.000 0.198 538 N C 0.975 176.560 175.510 0.124 0.000 1.117 538 N CA 0.657 53.758 53.050 0.085 0.000 0.845 538 N CB -0.397 38.144 38.487 0.091 0.000 0.980 538 N HN 0.099 nan 8.380 nan 0.000 0.486 539 G N 2.230 111.099 108.800 0.116 0.000 2.393 539 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.299 539 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.299 539 G C 0.784 175.776 174.900 0.153 0.000 0.990 539 G CA 0.772 45.956 45.100 0.141 0.000 1.118 539 G HN 0.607 nan 8.290 nan 0.000 0.513 540 I N -2.847 117.793 120.570 0.117 0.000 3.956 540 I HA 0.425 4.595 4.170 -0.001 0.000 0.333 540 I C 0.340 176.501 176.117 0.074 0.000 1.302 540 I CA -0.503 60.878 61.300 0.134 0.000 1.122 540 I CB 0.276 38.378 38.000 0.169 0.000 1.013 540 I HN 0.004 nan 8.210 nan 0.000 0.405 541 I N 3.413 123.993 120.570 0.017 0.000 2.287 541 I HA 0.336 4.506 4.170 -0.001 0.000 0.290 541 I C 1.096 177.158 176.117 -0.091 0.000 1.069 541 I CA -0.675 60.606 61.300 -0.031 0.000 1.237 541 I CB 0.098 38.069 38.000 -0.048 0.000 1.418 541 I HN 0.354 nan 8.210 nan 0.000 0.481 542 A N 8.006 130.786 122.820 -0.067 0.000 2.312 542 A HA -0.133 4.187 4.320 -0.001 0.000 0.286 542 A C -2.115 175.361 177.584 -0.179 0.000 1.425 542 A CA -0.381 51.615 52.037 -0.068 0.000 0.748 542 A CB -1.760 17.038 19.000 -0.337 0.000 1.126 542 A HN 0.529 nan 8.150 nan 0.000 0.368 543 P HA 0.352 nan 4.420 nan 0.000 0.267 543 P C 1.302 178.038 177.300 -0.940 0.000 1.205 543 P CA 1.527 64.256 63.100 -0.619 0.000 0.765 543 P CB 0.885 32.003 31.700 -0.971 0.000 0.828 544 G N 2.159 110.079 108.800 -1.467 0.000 2.345 544 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.218 544 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.218 544 G C 0.310 174.710 174.900 -0.832 0.000 1.058 544 G CA 0.132 44.065 45.100 -1.945 0.000 0.632 544 G HN 0.748 nan 8.290 nan 0.000 0.508 545 K N 1.896 122.049 120.400 -0.410 0.000 2.511 545 K HA 0.343 4.663 4.320 -0.001 0.000 0.277 545 K C 1.120 177.568 176.600 -0.253 0.000 1.025 545 K CA 1.389 57.547 56.287 -0.215 0.000 1.112 545 K CB -0.256 32.096 32.500 -0.247 0.000 0.859 545 K HN 1.100 nan 8.250 nan 0.000 0.485 546 S N 2.807 118.410 115.700 -0.162 0.000 3.587 546 S HA -0.173 4.296 4.470 -0.001 0.000 0.337 546 S C 0.871 175.423 174.600 -0.079 0.000 1.119 546 S CA 1.074 59.206 58.200 -0.113 0.000 0.976 546 S CB -2.143 60.980 63.200 -0.129 0.000 0.922 546 S HN 1.432 nan 8.310 nan 0.000 0.503 547 G N -1.451 107.288 108.800 -0.101 0.000 2.155 547 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.257 547 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.257 547 G C 0.012 174.849 174.900 -0.106 0.000 0.983 547 G CA 0.111 45.208 45.100 -0.005 0.000 0.676 547 G HN 1.339 nan 8.290 nan 0.000 0.528 548 V N 0.245 119.976 119.914 -0.306 0.000 2.311 548 V HA 0.569 4.689 4.120 -0.001 0.000 0.275 548 V C -0.063 175.840 176.094 -0.318 0.000 1.022 548 V CA -0.759 61.418 62.300 -0.205 0.000 0.830 548 V CB 0.402 32.121 31.823 -0.173 0.000 1.012 548 V HN 0.308 nan 8.190 nan 0.000 0.452 549 W N 6.872 128.179 121.300 0.012 0.000 2.391 549 W HA 0.529 5.189 4.660 -0.001 0.000 0.311 549 W C -1.939 174.638 176.519 0.096 0.000 1.087 549 W CA -2.289 55.083 57.345 0.045 0.000 1.209 549 W CB 1.082 30.653 29.460 0.186 0.000 1.273 549 W HN 0.322 nan 8.180 nan 0.000 0.482 550 P HA -0.040 nan 4.420 nan 0.000 0.269 550 P C 0.943 178.418 177.300 0.291 0.000 1.215 550 P CA 0.239 63.475 63.100 0.226 0.000 0.780 550 P CB 1.146 32.960 31.700 0.190 0.000 0.898 551 S N 1.042 116.849 115.700 0.179 0.000 2.420 551 S HA -0.234 4.236 4.470 -0.001 0.000 0.237 551 S C 1.379 176.047 174.600 0.112 0.000 1.023 551 S CA 1.140 59.411 58.200 0.118 0.000 0.991 551 S CB -0.900 62.337 63.200 0.061 0.000 0.792 551 S HN 0.636 nan 8.310 nan 0.000 0.488 552 Q N -0.510 119.380 119.800 0.149 0.000 2.320 552 Q HA 0.152 4.491 4.340 -0.001 0.000 0.201 552 Q C -0.778 175.220 176.000 -0.003 0.000 0.910 552 Q CA 0.013 55.852 55.803 0.061 0.000 0.946 552 Q CB -0.526 28.223 28.738 0.018 0.000 1.062 552 Q HN 0.712 nan 8.270 nan 0.000 0.503 553 Y N 2.356 122.755 120.300 0.164 0.000 2.587 553 Y HA 0.222 4.772 4.550 -0.001 0.000 0.328 553 Y C 0.286 176.317 175.900 0.218 0.000 0.980 553 Y CA -0.833 57.411 58.100 0.241 0.000 1.272 553 Y CB 1.225 39.796 38.460 0.186 0.000 1.094 553 Y HN 0.088 nan 8.280 nan 0.000 0.503 554 S N 1.690 117.536 115.700 0.244 0.000 2.562 554 S HA -0.006 4.463 4.470 -0.001 0.000 0.281 554 S C 1.003 175.657 174.600 0.090 0.000 1.333 554 S CA -0.407 57.834 58.200 0.068 0.000 1.052 554 S CB 0.625 63.819 63.200 -0.011 0.000 0.884 554 S HN 0.661 nan 8.310 nan 0.000 0.506 555 H N 3.089 122.122 119.070 -0.061 0.000 2.289 555 H HA -0.078 4.477 4.556 -0.001 0.000 0.296 555 H C 2.187 177.431 175.328 -0.139 0.000 1.091 555 H CA 1.627 57.583 56.048 -0.153 0.000 1.274 555 H CB -1.173 28.558 29.762 -0.051 0.000 1.364 555 H HN 0.496 nan 8.280 nan 0.000 0.490 556 V N 0.604 120.539 119.914 0.036 0.000 2.370 556 V HA -0.289 3.831 4.120 -0.001 0.000 0.252 556 V C 2.304 178.331 176.094 -0.113 0.000 1.068 556 V CA 2.423 64.705 62.300 -0.030 0.000 1.061 556 V CB -0.767 31.034 31.823 -0.036 0.000 0.656 556 V HN 0.518 nan 8.190 nan 0.000 0.455 557 T N -2.298 112.147 114.554 -0.182 0.000 2.937 557 T HA -0.107 4.243 4.350 -0.001 0.000 0.260 557 T C 1.324 175.698 174.700 -0.542 0.000 1.051 557 T CA 1.320 63.180 62.100 -0.400 0.000 1.141 557 T CB -0.202 68.355 68.868 -0.519 0.000 0.879 557 T HN 0.651 nan 8.240 nan 0.000 0.459 558 W N 1.320 122.446 121.300 -0.290 0.000 2.993 558 W HA 0.369 5.028 4.660 -0.001 0.000 0.290 558 W C 0.830 177.138 176.519 -0.350 0.000 1.203 558 W CA -0.744 56.348 57.345 -0.421 0.000 1.582 558 W CB 0.292 29.145 29.460 -1.012 0.000 1.033 558 W HN -0.141 nan 8.180 nan 0.000 0.594 559 K N 1.418 121.750 120.400 -0.112 0.000 2.344 559 K HA 0.275 4.594 4.320 -0.001 0.000 0.260 559 K C -0.113 176.582 176.600 0.159 0.000 0.988 559 K CA 0.371 56.702 56.287 0.073 0.000 0.909 559 K CB 0.558 33.076 32.500 0.031 0.000 0.968 559 K HN -0.034 nan 8.250 nan 0.000 0.505 560 L N 0.000 121.346 121.223 0.206 0.000 2.949 560 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 560 L CA 0.000 54.947 54.840 0.177 0.000 0.813 560 L CB 0.000 42.197 42.059 0.230 0.000 0.961 560 L HN 0.000 nan 8.230 nan 0.000 0.502