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 3a6o_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLLEAIFHEA KGSYAYPISE TQLRVRLRAK KGDVVRCEVL YADRYASPEE DATA SEQUENCE ELAHALAGKA GSDERFDYFE ALLECSTKRV KYVFLLTGPQ GEAVYFGETG DATA SEQUENCE FSAERSKAGV FQYAYIHRSE VFTTPEWAKE AVIYQIFPER FANGDPSNDP DATA SEQUENCE PGTEQWAKDA RPRHDSFYGG DLKGVIDRLP YLEELGVTAL YFTPIFASPS DATA SEQUENCE HHKYDTADYL AIDPQFGDLP TFRRLVDEAH RRGIKIILDA VFNHAGDQFF DATA SEQUENCE AFRDVLQKGE QSRYKDWFFI EDFPVSKTSR TNYETFAVQV PAMPKLRTEN DATA SEQUENCE PEVKEYLFDV ARFWMEQGID GWRLDVANEV DHAFWREFRR LVKSLNPDAL DATA SEQUENCE IVGEIWHDAS GWLMGDQFDS VMNYLFRESV IRFFATGEIH AERFDAELTR DATA SEQUENCE ARMLYPEQAA QGLWNLLDSH DTERFLTSCG GNEAKFRLAV LFQMTYLGTP DATA SEQUENCE LIYYGDEIGM AGATDPDCRR PMIWEEKEQN RGLFEFYKEL IRLRHRLASL DATA SEQUENCE TRGNVRSWHA DKQANLYAFV RTVQDQHVGV VLNNRGEKQT VLLQVPESGG DATA SEQUENCE KTWLDCLTGE EVHGKQGQLK LTLRPYQGMI LWNGR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.238 176.300 -0.103 0.000 1.140 1 M CA 0.000 55.264 55.300 -0.061 0.000 0.988 1 M CB 0.000 32.572 32.600 -0.047 0.000 1.302 2 L N 3.031 124.200 121.223 -0.091 0.000 2.536 2 L HA 0.222 4.563 4.340 0.001 0.000 0.282 2 L C 1.080 177.843 176.870 -0.177 0.000 1.147 2 L CA 0.215 54.988 54.840 -0.111 0.000 0.936 2 L CB 0.312 42.331 42.059 -0.066 0.000 1.279 2 L HN 0.721 nan 8.230 nan 0.000 0.461 3 L N 1.585 122.620 121.223 -0.312 0.000 2.083 3 L HA -0.189 4.152 4.340 0.001 0.000 0.209 3 L C 1.761 178.462 176.870 -0.281 0.000 1.083 3 L CA 0.866 55.369 54.840 -0.561 0.000 0.752 3 L CB -0.321 41.152 42.059 -0.977 0.000 0.899 3 L HN 0.586 nan 8.230 nan 0.000 0.433 4 E N 0.580 120.694 120.200 -0.143 0.000 2.333 4 E HA -0.191 4.160 4.350 0.001 0.000 0.200 4 E C 1.876 178.496 176.600 0.033 0.000 1.010 4 E CA 1.173 57.558 56.400 -0.025 0.000 0.841 4 E CB -0.175 29.517 29.700 -0.015 0.000 0.757 4 E HN 0.502 nan 8.360 nan 0.000 0.508 5 A N 0.002 122.842 122.820 0.034 0.000 2.303 5 A HA 0.215 4.536 4.320 0.001 0.000 0.217 5 A C 0.690 178.346 177.584 0.120 0.000 1.205 5 A CA -0.337 51.797 52.037 0.162 0.000 0.875 5 A CB 0.181 19.300 19.000 0.199 0.000 0.910 5 A HN 0.087 nan 8.150 nan 0.000 0.501 6 I N 0.574 121.152 120.570 0.013 0.000 2.396 6 I HA 0.286 4.457 4.170 0.001 0.000 0.289 6 I C -0.513 175.599 176.117 -0.010 0.000 1.056 6 I CA 0.116 61.375 61.300 -0.069 0.000 1.365 6 I CB 0.607 38.480 38.000 -0.213 0.000 1.407 6 I HN 0.327 nan 8.210 nan 0.000 0.509 7 F N 7.336 127.171 119.950 -0.191 0.000 2.578 7 F HA 0.561 5.089 4.527 0.002 0.000 0.311 7 F C -0.789 175.006 175.800 -0.009 0.000 1.094 7 F CA -0.333 57.599 58.000 -0.114 0.000 0.923 7 F CB 1.342 40.183 39.000 -0.264 0.000 1.230 7 F HN 0.457 nan 8.300 nan 0.000 0.450 8 H N 3.864 122.320 119.070 -1.022 0.000 3.042 8 H HA 0.403 4.959 4.556 0.002 0.000 0.346 8 H C -2.087 172.509 175.328 -1.221 0.000 1.294 8 H CA -0.547 54.835 56.048 -1.109 0.000 1.141 8 H CB 2.509 31.906 29.762 -0.609 0.000 1.872 8 H HN 0.835 nan 8.280 nan 0.000 0.541 9 E N 1.762 121.051 120.200 -1.517 0.000 2.343 9 E HA 0.563 4.914 4.350 0.001 0.000 0.278 9 E C -1.391 174.769 176.600 -0.733 0.000 0.910 9 E CA -1.100 54.827 56.400 -0.788 0.000 0.757 9 E CB 2.013 31.495 29.700 -0.363 0.000 1.218 9 E HN 0.537 nan 8.360 nan 0.000 0.435 10 A N 3.621 126.294 122.820 -0.244 0.000 3.033 10 A HA 0.227 4.548 4.320 0.001 0.000 0.250 10 A C -0.081 177.657 177.584 0.257 0.000 1.633 10 A CA 0.367 52.477 52.037 0.120 0.000 1.290 10 A CB -0.899 18.299 19.000 0.330 0.000 1.048 10 A HN 0.611 nan 8.150 nan 0.000 0.648 11 K N -2.853 117.663 120.400 0.192 0.000 2.770 11 K HA 0.632 4.953 4.320 0.001 0.000 0.289 11 K C 0.651 177.408 176.600 0.262 0.000 1.051 11 K CA -0.476 55.973 56.287 0.270 0.000 0.814 11 K CB -0.272 32.322 32.500 0.158 0.000 1.512 11 K HN 1.278 nan 8.250 nan 0.000 0.368 12 G N 0.789 109.737 108.800 0.246 0.000 2.629 12 G HA2 -0.365 3.596 3.960 0.001 0.000 0.313 12 G HA3 -0.365 3.596 3.960 0.001 0.000 0.313 12 G C 0.746 175.830 174.900 0.306 0.000 1.217 12 G CA 0.792 46.037 45.100 0.241 0.000 0.994 12 G HN 0.699 nan 8.290 nan 0.000 0.549 13 S N -0.458 115.446 115.700 0.339 0.000 2.503 13 S HA 0.235 4.706 4.470 0.001 0.000 0.217 13 S C 1.734 176.432 174.600 0.163 0.000 0.999 13 S CA 1.253 59.619 58.200 0.277 0.000 0.914 13 S CB 0.041 63.337 63.200 0.161 0.000 0.782 13 S HN 0.481 nan 8.310 nan 0.000 0.520 14 Y N 1.664 122.109 120.300 0.242 0.000 2.517 14 Y HA 0.439 4.990 4.550 0.001 0.000 0.281 14 Y C 0.902 176.856 175.900 0.089 0.000 1.125 14 Y CA 0.296 58.471 58.100 0.125 0.000 1.283 14 Y CB 0.341 38.747 38.460 -0.089 0.000 1.042 14 Y HN 0.209 nan 8.280 nan 0.000 0.547 15 A N -0.129 122.806 122.820 0.191 0.000 2.485 15 A HA 0.627 4.948 4.320 0.001 0.000 0.285 15 A C -1.794 175.819 177.584 0.049 0.000 1.045 15 A CA -0.541 51.532 52.037 0.061 0.000 0.792 15 A CB 0.140 19.284 19.000 0.241 0.000 1.307 15 A HN 0.237 nan 8.150 nan 0.000 0.406 16 Y N 0.173 120.375 120.300 -0.163 0.000 2.641 16 Y HA 0.834 5.385 4.550 0.002 0.000 0.333 16 Y C -3.493 172.272 175.900 -0.224 0.000 1.174 16 Y CA -2.949 55.059 58.100 -0.153 0.000 1.057 16 Y CB 0.921 39.398 38.460 0.028 0.000 1.322 16 Y HN 0.359 nan 8.280 nan 0.000 0.457 17 P HA 0.402 nan 4.420 nan 0.000 0.284 17 P C 0.421 177.804 177.300 0.139 0.000 1.253 17 P CA -0.413 62.681 63.100 -0.009 0.000 0.800 17 P CB 1.653 33.371 31.700 0.031 0.000 0.961 18 I N -0.518 120.076 120.570 0.040 0.000 3.939 18 I HA 0.198 4.369 4.170 0.001 0.000 0.313 18 I C 0.548 176.686 176.117 0.035 0.000 1.274 18 I CA 0.211 61.550 61.300 0.065 0.000 1.301 18 I CB 0.158 38.176 38.000 0.031 0.000 1.105 18 I HN 0.268 nan 8.210 nan 0.000 0.427 19 S N -0.188 115.518 115.700 0.011 0.000 3.359 19 S HA 0.338 4.809 4.470 0.001 0.000 0.323 19 S C 0.534 175.140 174.600 0.010 0.000 1.143 19 S CA -0.343 57.867 58.200 0.016 0.000 0.989 19 S CB 1.254 64.454 63.200 0.000 0.000 1.375 19 S HN 0.218 nan 8.310 nan 0.000 0.728 20 E N 0.474 120.676 120.200 0.004 0.000 2.474 20 E HA 0.078 4.428 4.350 0.001 0.000 0.194 20 E C 0.638 177.208 176.600 -0.049 0.000 1.041 20 E CA 1.101 57.496 56.400 -0.008 0.000 0.874 20 E CB 0.099 29.804 29.700 0.008 0.000 0.914 20 E HN 0.776 nan 8.360 nan 0.000 0.498 21 T N -2.690 111.837 114.554 -0.046 0.000 3.111 21 T HA 0.238 4.589 4.350 0.001 0.000 0.284 21 T C 0.079 174.741 174.700 -0.064 0.000 0.983 21 T CA -0.565 61.501 62.100 -0.057 0.000 0.900 21 T CB 0.340 69.188 68.868 -0.034 0.000 1.132 21 T HN -0.063 nan 8.240 nan 0.000 0.531 22 Q N 1.060 120.812 119.800 -0.081 0.000 2.323 22 Q HA 0.707 5.048 4.340 0.001 0.000 0.271 22 Q C -1.899 173.993 176.000 -0.180 0.000 1.048 22 Q CA -0.993 54.740 55.803 -0.117 0.000 0.792 22 Q CB 2.929 31.613 28.738 -0.089 0.000 1.280 22 Q HN 0.201 nan 8.270 nan 0.000 0.441 23 L N 1.909 122.970 121.223 -0.271 0.000 2.322 23 L HA 0.559 4.900 4.340 0.001 0.000 0.281 23 L C -0.914 175.703 176.870 -0.422 0.000 1.014 23 L CA -0.433 54.179 54.840 -0.381 0.000 0.815 23 L CB 1.386 43.168 42.059 -0.462 0.000 1.247 23 L HN 0.508 nan 8.230 nan 0.000 0.421 24 R N 3.617 123.807 120.500 -0.516 0.000 2.297 24 R HA 0.707 5.047 4.340 0.001 0.000 0.308 24 R C -1.296 174.665 176.300 -0.566 0.000 1.029 24 R CA -0.298 55.458 56.100 -0.574 0.000 0.929 24 R CB 0.984 30.802 30.300 -0.804 0.000 1.046 24 R HN 0.545 nan 8.270 nan 0.000 0.461 25 V N 1.457 121.156 119.914 -0.358 0.000 2.962 25 V HA 0.770 4.891 4.120 0.001 0.000 0.313 25 V C -0.862 175.234 176.094 0.004 0.000 1.099 25 V CA -1.050 61.158 62.300 -0.153 0.000 0.971 25 V CB 2.331 34.055 31.823 -0.164 0.000 1.028 25 V HN 0.787 nan 8.190 nan 0.000 0.430 26 R N 2.699 123.303 120.500 0.173 0.000 2.725 26 R HA 0.794 5.135 4.340 0.001 0.000 0.277 26 R C -1.643 174.903 176.300 0.410 0.000 0.987 26 R CA -0.684 55.537 56.100 0.202 0.000 0.901 26 R CB 2.721 32.996 30.300 -0.041 0.000 1.207 26 R HN 0.913 nan 8.270 nan 0.000 0.463 27 L N 1.785 123.201 121.223 0.321 0.000 2.401 27 L HA 0.635 4.976 4.340 0.001 0.000 0.266 27 L C -0.972 176.097 176.870 0.331 0.000 0.991 27 L CA -0.850 54.121 54.840 0.218 0.000 0.818 27 L CB 2.176 44.102 42.059 -0.221 0.000 1.321 27 L HN 0.739 nan 8.230 nan 0.000 0.413 28 R N 4.101 124.752 120.500 0.253 0.000 2.711 28 R HA 0.972 5.313 4.340 0.001 0.000 0.284 28 R C -1.648 174.678 176.300 0.044 0.000 0.968 28 R CA -0.489 55.629 56.100 0.031 0.000 0.924 28 R CB 2.028 32.111 30.300 -0.361 0.000 1.162 28 R HN 0.701 nan 8.270 nan 0.000 0.465 29 A N 2.287 125.184 122.820 0.129 0.000 2.515 29 A HA 0.384 4.704 4.320 0.001 0.000 0.298 29 A C -1.084 176.661 177.584 0.268 0.000 1.059 29 A CA -1.026 51.126 52.037 0.192 0.000 0.698 29 A CB 1.521 20.646 19.000 0.208 0.000 1.289 29 A HN 0.840 nan 8.150 nan 0.000 0.404 30 K N 1.563 122.075 120.400 0.188 0.000 2.548 30 K HA -0.080 4.241 4.320 0.001 0.000 0.277 30 K C 0.137 176.744 176.600 0.011 0.000 1.001 30 K CA 0.495 56.795 56.287 0.020 0.000 1.102 30 K CB 0.284 32.766 32.500 -0.029 0.000 0.848 30 K HN 0.666 nan 8.250 nan 0.000 0.487 31 K N 2.564 122.921 120.400 -0.071 0.000 2.491 31 K HA -0.135 4.186 4.320 0.001 0.000 0.279 31 K C 0.802 177.405 176.600 0.004 0.000 1.026 31 K CA 1.310 57.581 56.287 -0.027 0.000 1.070 31 K CB -0.024 32.436 32.500 -0.066 0.000 0.887 31 K HN 0.903 nan 8.250 nan 0.000 0.481 32 G N 4.130 112.960 108.800 0.050 0.000 2.284 32 G HA2 -0.269 3.692 3.960 0.001 0.000 0.230 32 G HA3 -0.269 3.692 3.960 0.001 0.000 0.230 32 G C 0.652 175.590 174.900 0.064 0.000 1.021 32 G CA 0.347 45.477 45.100 0.050 0.000 0.619 32 G HN 0.731 nan 8.290 nan 0.000 0.510 33 D N 0.358 120.795 120.400 0.062 0.000 2.117 33 D HA 0.160 4.801 4.640 0.001 0.000 0.197 33 D C 1.508 177.844 176.300 0.061 0.000 0.987 33 D CA 1.442 55.471 54.000 0.048 0.000 0.829 33 D CB 0.049 40.866 40.800 0.027 0.000 0.961 33 D HN 0.475 nan 8.370 nan 0.000 0.460 34 V N -0.057 119.928 119.914 0.118 0.000 2.732 34 V HA 0.312 4.433 4.120 0.001 0.000 0.310 34 V C 0.902 177.075 176.094 0.132 0.000 1.053 34 V CA -0.494 61.843 62.300 0.062 0.000 0.957 34 V CB 2.662 34.458 31.823 -0.045 0.000 1.018 34 V HN -0.183 nan 8.190 nan 0.000 0.452 35 V N 2.532 122.469 119.914 0.039 0.000 3.359 35 V HA 0.347 4.468 4.120 0.001 0.000 0.270 35 V C 0.288 176.401 176.094 0.032 0.000 1.583 35 V CA 0.093 62.454 62.300 0.101 0.000 1.019 35 V CB 0.745 32.607 31.823 0.065 0.000 0.831 35 V HN 0.812 nan 8.190 nan 0.000 0.426 36 R N 0.203 120.641 120.500 -0.104 0.000 2.510 36 R HA 0.556 4.897 4.340 0.001 0.000 0.287 36 R C -1.786 174.363 176.300 -0.253 0.000 1.084 36 R CA -0.197 55.820 56.100 -0.138 0.000 0.934 36 R CB 1.667 31.938 30.300 -0.047 0.000 1.201 36 R HN 0.238 nan 8.270 nan 0.000 0.431 37 C N 4.133 123.239 119.300 -0.323 0.000 2.322 37 C HA 0.570 5.031 4.460 0.001 0.000 0.324 37 C C -0.638 174.329 174.990 -0.038 0.000 1.249 37 C CA -0.255 58.604 59.018 -0.264 0.000 1.453 37 C CB 0.843 28.217 27.740 -0.610 0.000 2.145 37 C HN 1.003 nan 8.230 nan 0.000 0.466 38 E N 3.997 124.223 120.200 0.043 0.000 2.222 38 E HA 0.682 5.033 4.350 0.001 0.000 0.267 38 E C -1.363 175.281 176.600 0.074 0.000 0.884 38 E CA -0.525 55.922 56.400 0.078 0.000 0.764 38 E CB 1.934 31.688 29.700 0.090 0.000 1.169 38 E HN 0.604 nan 8.360 nan 0.000 0.413 39 V N 4.717 124.646 119.914 0.025 0.000 2.370 39 V HA 0.312 4.433 4.120 0.001 0.000 0.279 39 V C -0.561 175.558 176.094 0.042 0.000 1.029 39 V CA -0.788 61.455 62.300 -0.094 0.000 0.870 39 V CB 0.919 32.559 31.823 -0.305 0.000 0.984 39 V HN 0.567 nan 8.190 nan 0.000 0.451 40 L N 7.381 128.610 121.223 0.010 0.000 2.276 40 L HA 0.585 4.926 4.340 0.001 0.000 0.286 40 L C -0.365 176.542 176.870 0.063 0.000 1.024 40 L CA -0.060 54.747 54.840 -0.055 0.000 0.826 40 L CB 0.399 42.412 42.059 -0.076 0.000 1.211 40 L HN 0.750 nan 8.230 nan 0.000 0.422 41 Y N 1.843 122.061 120.300 -0.137 0.000 2.669 41 Y HA 1.015 5.566 4.550 0.002 0.000 0.335 41 Y C -0.531 175.345 175.900 -0.041 0.000 1.116 41 Y CA -1.325 56.749 58.100 -0.043 0.000 1.081 41 Y CB 1.715 40.154 38.460 -0.036 0.000 1.297 41 Y HN 0.581 nan 8.280 nan 0.000 0.484 42 A N 0.700 123.582 122.820 0.103 0.000 2.566 42 A HA 0.405 4.726 4.320 0.001 0.000 0.290 42 A C -1.955 175.682 177.584 0.089 0.000 1.071 42 A CA -0.626 51.411 52.037 0.001 0.000 0.658 42 A CB 0.858 19.832 19.000 -0.044 0.000 1.285 42 A HN 0.917 nan 8.150 nan 0.000 0.427 43 D N -0.188 120.249 120.400 0.062 0.000 2.423 43 D HA 0.231 4.872 4.640 0.001 0.000 0.238 43 D C 1.311 177.677 176.300 0.110 0.000 1.142 43 D CA 0.184 54.248 54.000 0.106 0.000 0.884 43 D CB 0.630 41.493 40.800 0.106 0.000 1.199 43 D HN 0.455 nan 8.370 nan 0.000 0.438 44 R N 1.873 122.456 120.500 0.138 0.000 2.105 44 R HA -0.195 4.146 4.340 0.001 0.000 0.239 44 R C 0.942 177.190 176.300 -0.087 0.000 1.135 44 R CA 1.294 57.410 56.100 0.027 0.000 0.967 44 R CB -0.245 30.064 30.300 0.014 0.000 0.861 44 R HN 0.628 nan 8.270 nan 0.000 0.442 45 Y N 0.044 120.360 120.300 0.028 0.000 2.470 45 Y HA 0.299 4.849 4.550 0.001 0.000 0.284 45 Y C 0.791 176.693 175.900 0.004 0.000 1.188 45 Y CA -0.530 57.580 58.100 0.015 0.000 1.269 45 Y CB -0.138 38.336 38.460 0.022 0.000 1.094 45 Y HN 0.015 nan 8.280 nan 0.000 0.518 46 A N 0.646 123.529 122.820 0.105 0.000 2.561 46 A HA 0.184 4.505 4.320 0.001 0.000 0.234 46 A C 0.846 178.450 177.584 0.032 0.000 1.055 46 A CA 0.228 52.297 52.037 0.054 0.000 0.756 46 A CB -0.011 18.999 19.000 0.017 0.000 0.986 46 A HN 0.320 nan 8.150 nan 0.000 0.505 47 S N 2.902 118.616 115.700 0.024 0.000 2.564 47 S HA 0.313 4.783 4.470 0.001 0.000 0.278 47 S C -1.132 173.462 174.600 -0.009 0.000 1.333 47 S CA -0.739 57.467 58.200 0.010 0.000 1.048 47 S CB 0.507 63.714 63.200 0.011 0.000 0.900 47 S HN 0.539 nan 8.310 nan 0.000 0.505 48 P HA -0.003 nan 4.420 nan 0.000 0.231 48 P C 0.474 177.756 177.300 -0.030 0.000 1.158 48 P CA 0.811 63.893 63.100 -0.031 0.000 0.763 48 P CB 0.144 31.823 31.700 -0.034 0.000 0.805 49 E N -0.055 120.132 120.200 -0.021 0.000 2.276 49 E HA 0.026 4.376 4.350 0.001 0.000 0.193 49 E C 0.448 177.037 176.600 -0.019 0.000 0.983 49 E CA 0.280 56.669 56.400 -0.018 0.000 0.861 49 E CB -0.250 29.443 29.700 -0.012 0.000 0.817 49 E HN 0.457 nan 8.360 nan 0.000 0.485 50 E N 1.454 121.642 120.200 -0.020 0.000 2.383 50 E HA 0.055 4.406 4.350 0.001 0.000 0.264 50 E C -0.181 176.398 176.600 -0.035 0.000 1.050 50 E CA -0.206 56.180 56.400 -0.024 0.000 0.896 50 E CB 0.504 30.190 29.700 -0.023 0.000 0.982 50 E HN -0.009 nan 8.360 nan 0.000 0.424 51 E N 1.572 121.752 120.200 -0.034 0.000 2.398 51 E HA 0.055 4.406 4.350 0.001 0.000 0.263 51 E C 0.129 176.682 176.600 -0.079 0.000 1.046 51 E CA 0.009 56.389 56.400 -0.034 0.000 0.908 51 E CB 0.476 30.169 29.700 -0.012 0.000 0.963 51 E HN 0.357 nan 8.360 nan 0.000 0.431 52 L N 1.218 122.378 121.223 -0.106 0.000 2.473 52 L HA 0.149 4.490 4.340 0.001 0.000 0.268 52 L C 0.742 177.421 176.870 -0.318 0.000 1.215 52 L CA -0.270 54.436 54.840 -0.222 0.000 0.823 52 L CB 0.358 42.265 42.059 -0.253 0.000 1.099 52 L HN 0.507 nan 8.230 nan 0.000 0.483 53 A N 1.264 123.760 122.820 -0.539 0.000 2.302 53 A HA 0.511 4.832 4.320 0.001 0.000 0.285 53 A C -0.897 176.335 177.584 -0.587 0.000 1.105 53 A CA -0.340 51.305 52.037 -0.654 0.000 0.816 53 A CB 0.292 18.580 19.000 -1.187 0.000 1.067 53 A HN 0.756 nan 8.150 nan 0.000 0.489 54 H N -0.620 118.377 119.070 -0.122 0.000 2.529 54 H HA 0.707 5.263 4.556 0.001 0.000 0.348 54 H C -0.150 175.306 175.328 0.214 0.000 1.152 54 H CA 0.509 56.601 56.048 0.074 0.000 1.202 54 H CB 1.940 31.724 29.762 0.036 0.000 1.562 54 H HN 0.905 nan 8.280 nan 0.000 0.515 55 A N 2.786 125.788 122.820 0.304 0.000 2.466 55 A HA 0.426 4.747 4.320 0.001 0.000 0.284 55 A C -1.606 176.046 177.584 0.113 0.000 1.049 55 A CA -0.597 51.553 52.037 0.188 0.000 0.760 55 A CB 0.649 19.702 19.000 0.089 0.000 1.274 55 A HN 0.596 nan 8.150 nan 0.000 0.412 56 L N 2.893 124.175 121.223 0.098 0.000 2.289 56 L HA 0.832 5.173 4.340 0.001 0.000 0.285 56 L C 0.279 177.198 176.870 0.083 0.000 1.049 56 L CA -0.046 54.846 54.840 0.086 0.000 0.804 56 L CB 1.452 43.559 42.059 0.079 0.000 1.195 56 L HN 0.918 nan 8.230 nan 0.000 0.428 57 A N 4.342 127.223 122.820 0.101 0.000 2.279 57 A HA 0.654 4.975 4.320 0.001 0.000 0.306 57 A C 0.475 178.212 177.584 0.256 0.000 1.300 57 A CA 0.002 52.134 52.037 0.159 0.000 0.925 57 A CB -0.187 18.937 19.000 0.206 0.000 1.152 57 A HN 0.970 nan 8.150 nan 0.000 0.544 58 G N 1.302 110.234 108.800 0.220 0.000 2.569 58 G HA2 0.374 4.335 3.960 0.001 0.000 0.249 58 G HA3 0.374 4.335 3.960 0.001 0.000 0.249 58 G C 0.123 175.221 174.900 0.330 0.000 1.216 58 G CA -0.630 44.624 45.100 0.257 0.000 0.845 58 G HN 0.831 nan 8.290 nan 0.000 0.568 59 K N 0.714 121.261 120.400 0.245 0.000 2.363 59 K HA 0.339 4.660 4.320 0.001 0.000 0.289 59 K C 0.977 177.542 176.600 -0.058 0.000 1.063 59 K CA 0.084 56.270 56.287 -0.168 0.000 0.967 59 K CB 0.453 32.805 32.500 -0.247 0.000 0.987 59 K HN 0.389 nan 8.250 nan 0.000 0.473 60 A N 3.687 126.477 122.820 -0.049 0.000 2.308 60 A HA 0.306 4.627 4.320 0.001 0.000 0.217 60 A C 0.593 178.178 177.584 0.001 0.000 1.216 60 A CA 0.632 52.670 52.037 0.001 0.000 0.864 60 A CB 0.225 19.231 19.000 0.010 0.000 0.902 60 A HN 0.852 nan 8.150 nan 0.000 0.499 61 G N -2.033 106.769 108.800 0.004 0.000 2.328 61 G HA2 0.477 4.438 3.960 0.001 0.000 0.295 61 G HA3 0.477 4.438 3.960 0.001 0.000 0.295 61 G C -1.268 173.721 174.900 0.149 0.000 1.413 61 G CA 0.093 45.229 45.100 0.061 0.000 0.817 61 G HN 0.597 nan 8.290 nan 0.000 0.546 62 S N -0.057 115.740 115.700 0.162 0.000 2.536 62 S HA 0.739 5.210 4.470 0.001 0.000 0.271 62 S C -0.732 173.988 174.600 0.200 0.000 1.134 62 S CA -0.657 57.663 58.200 0.200 0.000 0.897 62 S CB 2.302 65.550 63.200 0.081 0.000 1.094 62 S HN 1.030 nan 8.310 nan 0.000 0.473 63 D N 1.051 121.604 120.400 0.255 0.000 2.535 63 D HA 0.373 5.013 4.640 0.001 0.000 0.240 63 D C 1.082 177.425 176.300 0.073 0.000 1.200 63 D CA -0.549 53.554 54.000 0.172 0.000 1.088 63 D CB -0.310 40.648 40.800 0.264 0.000 1.197 63 D HN 0.423 nan 8.370 nan 0.000 0.620 64 E N -0.865 119.361 120.200 0.043 0.000 2.051 64 E HA -0.081 4.269 4.350 0.001 0.000 0.192 64 E C 1.974 178.508 176.600 -0.110 0.000 0.991 64 E CA 1.553 57.938 56.400 -0.025 0.000 0.799 64 E CB 0.171 29.857 29.700 -0.023 0.000 0.748 64 E HN 0.349 nan 8.360 nan 0.000 0.449 65 R N -1.913 118.448 120.500 -0.232 0.000 2.287 65 R HA 0.226 4.566 4.340 0.001 0.000 0.197 65 R C -0.182 175.670 176.300 -0.746 0.000 0.900 65 R CA -0.075 55.693 56.100 -0.554 0.000 1.052 65 R CB 0.578 30.363 30.300 -0.859 0.000 1.117 65 R HN 0.009 nan 8.270 nan 0.000 0.568 66 F N 0.477 120.376 119.950 -0.085 0.000 2.556 66 F HA 0.369 4.897 4.527 0.001 0.000 0.327 66 F C 0.077 175.751 175.800 -0.210 0.000 1.059 66 F CA -1.258 56.618 58.000 -0.206 0.000 0.953 66 F CB 1.193 39.922 39.000 -0.451 0.000 1.227 66 F HN -0.294 nan 8.300 nan 0.000 0.478 67 D N 0.192 120.582 120.400 -0.017 0.000 2.198 67 D HA 0.332 4.973 4.640 0.001 0.000 0.247 67 D C -1.324 174.812 176.300 -0.274 0.000 1.010 67 D CA -0.194 53.733 54.000 -0.122 0.000 0.880 67 D CB 1.564 42.280 40.800 -0.140 0.000 1.209 67 D HN 0.300 nan 8.370 nan 0.000 0.451 68 Y N 0.579 120.741 120.300 -0.229 0.000 2.409 68 Y HA 0.472 5.023 4.550 0.001 0.000 0.343 68 Y C -0.417 175.276 175.900 -0.345 0.000 0.973 68 Y CA -0.842 57.183 58.100 -0.126 0.000 1.064 68 Y CB 1.320 39.762 38.460 -0.030 0.000 1.207 68 Y HN 0.163 nan 8.280 nan 0.000 0.452 69 F N 1.293 121.377 119.950 0.223 0.000 2.532 69 F HA 0.525 5.053 4.527 0.002 0.000 0.321 69 F C -0.197 175.677 175.800 0.122 0.000 1.089 69 F CA -1.005 57.085 58.000 0.150 0.000 0.926 69 F CB 2.101 41.175 39.000 0.123 0.000 1.168 69 F HN 0.376 nan 8.300 nan 0.000 0.459 70 E N 1.620 121.987 120.200 0.279 0.000 2.275 70 E HA 0.801 5.152 4.350 0.001 0.000 0.270 70 E C -1.708 174.947 176.600 0.091 0.000 0.882 70 E CA -0.731 55.748 56.400 0.131 0.000 0.758 70 E CB 2.025 31.761 29.700 0.059 0.000 1.195 70 E HN 0.760 nan 8.360 nan 0.000 0.419 71 A N 3.159 125.984 122.820 0.009 0.000 2.556 71 A HA 0.669 4.990 4.320 0.001 0.000 0.294 71 A C -2.014 175.479 177.584 -0.151 0.000 1.091 71 A CA -0.698 51.312 52.037 -0.046 0.000 0.704 71 A CB 1.530 20.497 19.000 -0.055 0.000 1.300 71 A HN 0.434 nan 8.150 nan 0.000 0.406 72 L N 1.605 122.732 121.223 -0.161 0.000 2.298 72 L HA 0.653 4.994 4.340 0.001 0.000 0.284 72 L C -1.529 175.166 176.870 -0.291 0.000 1.013 72 L CA -0.756 53.959 54.840 -0.208 0.000 0.824 72 L CB 0.887 42.871 42.059 -0.125 0.000 1.221 72 L HN 0.519 nan 8.230 nan 0.000 0.418 73 L N 4.984 125.944 121.223 -0.438 0.000 2.276 73 L HA 0.426 4.766 4.340 0.001 0.000 0.286 73 L C 0.326 177.023 176.870 -0.290 0.000 1.061 73 L CA -0.059 54.398 54.840 -0.639 0.000 0.807 73 L CB 1.013 42.481 42.059 -0.984 0.000 1.177 73 L HN 0.490 nan 8.230 nan 0.000 0.429 74 E N 2.901 123.075 120.200 -0.043 0.000 2.044 74 E HA 0.207 4.558 4.350 0.001 0.000 0.282 74 E C -0.898 175.782 176.600 0.133 0.000 1.031 74 E CA -0.052 56.386 56.400 0.064 0.000 0.824 74 E CB 0.941 30.706 29.700 0.108 0.000 1.076 74 E HN 0.493 nan 8.360 nan 0.000 0.395 75 C N 2.986 122.307 119.300 0.036 0.000 3.003 75 C HA 0.145 4.606 4.460 0.001 0.000 0.241 75 C C 1.861 176.851 174.990 0.001 0.000 1.224 75 C CA -0.606 58.439 59.018 0.046 0.000 1.560 75 C CB -0.827 26.915 27.740 0.004 0.000 1.768 75 C HN 0.662 nan 8.230 nan 0.000 0.440 76 S N 1.765 117.474 115.700 0.015 0.000 2.380 76 S HA -0.236 4.235 4.470 0.001 0.000 0.229 76 S C 2.024 176.611 174.600 -0.022 0.000 1.043 76 S CA 2.460 60.658 58.200 -0.004 0.000 1.038 76 S CB -0.490 62.713 63.200 0.005 0.000 0.872 76 S HN 0.905 nan 8.310 nan 0.000 0.456 77 T N -0.678 113.868 114.554 -0.012 0.000 3.035 77 T HA 0.119 4.470 4.350 0.001 0.000 0.268 77 T C 0.738 175.372 174.700 -0.111 0.000 1.109 77 T CA 0.863 62.949 62.100 -0.023 0.000 1.119 77 T CB -0.513 68.371 68.868 0.026 0.000 0.900 77 T HN 0.488 nan 8.240 nan 0.000 0.503 78 K N 0.120 120.440 120.400 -0.134 0.000 3.446 78 K HA -0.155 4.166 4.320 0.001 0.000 0.312 78 K C -0.498 175.927 176.600 -0.291 0.000 1.329 78 K CA 0.785 56.903 56.287 -0.280 0.000 0.935 78 K CB -1.194 30.971 32.500 -0.559 0.000 1.281 78 K HN 0.544 nan 8.250 nan 0.000 0.457 79 R N 0.629 121.085 120.500 -0.075 0.000 2.502 79 R HA 0.487 4.828 4.340 0.001 0.000 0.298 79 R C -0.979 175.403 176.300 0.137 0.000 1.018 79 R CA -0.655 55.488 56.100 0.071 0.000 0.899 79 R CB 2.445 32.859 30.300 0.190 0.000 1.181 79 R HN -0.016 nan 8.270 nan 0.000 0.444 80 V N 3.214 123.244 119.914 0.193 0.000 2.715 80 V HA 0.601 4.722 4.120 0.001 0.000 0.310 80 V C -1.069 175.192 176.094 0.278 0.000 1.054 80 V CA -0.667 61.778 62.300 0.242 0.000 0.928 80 V CB 1.954 33.904 31.823 0.210 0.000 1.007 80 V HN 0.793 nan 8.190 nan 0.000 0.437 81 K N 5.470 126.022 120.400 0.253 0.000 2.375 81 K HA 0.803 5.124 4.320 0.001 0.000 0.249 81 K C -1.578 175.187 176.600 0.274 0.000 0.942 81 K CA -0.736 55.646 56.287 0.158 0.000 0.806 81 K CB 2.147 34.652 32.500 0.007 0.000 1.227 81 K HN 0.768 nan 8.250 nan 0.000 0.430 82 Y N -2.129 118.183 120.300 0.020 0.000 2.725 82 Y HA 0.685 5.236 4.550 0.001 0.000 0.333 82 Y C -1.503 174.346 175.900 -0.084 0.000 1.242 82 Y CA -1.490 56.581 58.100 -0.049 0.000 1.059 82 Y CB 1.149 39.526 38.460 -0.138 0.000 1.306 82 Y HN 0.446 nan 8.280 nan 0.000 0.454 83 V N -1.379 118.526 119.914 -0.016 0.000 2.932 83 V HA 0.650 4.771 4.120 0.001 0.000 0.307 83 V C -1.475 174.583 176.094 -0.060 0.000 1.147 83 V CA -1.189 61.101 62.300 -0.017 0.000 0.951 83 V CB 1.679 33.533 31.823 0.052 0.000 1.031 83 V HN 0.754 nan 8.190 nan 0.000 0.426 84 F N 2.938 123.024 119.950 0.227 0.000 2.399 84 F HA 0.669 5.197 4.527 0.001 0.000 0.334 84 F C 0.142 176.038 175.800 0.159 0.000 1.097 84 F CA -0.661 57.455 58.000 0.193 0.000 1.076 84 F CB 1.750 40.902 39.000 0.253 0.000 1.162 84 F HN 0.453 nan 8.300 nan 0.000 0.495 85 L N 5.407 126.737 121.223 0.179 0.000 2.298 85 L HA 0.539 4.880 4.340 0.001 0.000 0.284 85 L C -1.363 175.499 176.870 -0.014 0.000 1.013 85 L CA -0.519 54.276 54.840 -0.075 0.000 0.824 85 L CB 0.825 42.789 42.059 -0.159 0.000 1.221 85 L HN 0.553 nan 8.230 nan 0.000 0.418 86 L N 4.037 125.247 121.223 -0.021 0.000 2.325 86 L HA 0.599 4.940 4.340 0.001 0.000 0.278 86 L C -0.271 176.559 176.870 -0.067 0.000 1.023 86 L CA -0.535 54.284 54.840 -0.036 0.000 0.811 86 L CB 1.945 44.019 42.059 0.025 0.000 1.249 86 L HN 0.470 nan 8.230 nan 0.000 0.431 87 T N 1.186 115.694 114.554 -0.076 0.000 2.841 87 T HA 0.514 4.864 4.350 0.001 0.000 0.285 87 T C 0.295 174.976 174.700 -0.032 0.000 0.991 87 T CA -0.527 61.541 62.100 -0.052 0.000 0.966 87 T CB 1.843 70.683 68.868 -0.046 0.000 0.962 87 T HN 0.782 nan 8.240 nan 0.000 0.438 88 G N 2.719 111.509 108.800 -0.016 0.000 2.547 88 G HA2 0.464 4.425 3.960 0.001 0.000 0.291 88 G HA3 0.464 4.425 3.960 0.001 0.000 0.291 88 G C -1.604 173.300 174.900 0.007 0.000 1.211 88 G CA -1.525 43.575 45.100 -0.001 0.000 0.950 88 G HN 0.387 nan 8.290 nan 0.000 0.504 89 P HA -0.074 nan 4.420 nan 0.000 0.216 89 P C 1.401 178.709 177.300 0.014 0.000 1.153 89 P CA 0.964 64.076 63.100 0.020 0.000 0.844 89 P CB 0.208 31.921 31.700 0.022 0.000 0.787 90 Q N -0.815 118.991 119.800 0.009 0.000 2.515 90 Q HA 0.098 4.439 4.340 0.001 0.000 0.214 90 Q C 1.352 177.356 176.000 0.007 0.000 0.971 90 Q CA 1.084 56.892 55.803 0.007 0.000 0.952 90 Q CB -0.820 27.921 28.738 0.005 0.000 0.999 90 Q HN 0.378 nan 8.270 nan 0.000 0.524 91 G N 2.013 110.816 108.800 0.005 0.000 2.159 91 G HA2 -0.258 3.703 3.960 0.001 0.000 0.256 91 G HA3 -0.258 3.703 3.960 0.001 0.000 0.256 91 G C 0.025 174.925 174.900 -0.000 0.000 0.977 91 G CA 0.328 45.429 45.100 0.002 0.000 0.652 91 G HN 0.465 nan 8.290 nan 0.000 0.531 92 E N 0.228 120.428 120.200 0.000 0.000 2.502 92 E HA 0.435 4.786 4.350 0.001 0.000 0.261 92 E C 0.156 176.750 176.600 -0.011 0.000 0.974 92 E CA 0.536 56.936 56.400 0.000 0.000 0.936 92 E CB 0.824 30.525 29.700 0.002 0.000 0.926 92 E HN 1.410 nan 8.360 nan 0.000 0.459 93 A N 2.895 125.707 122.820 -0.013 0.000 2.343 93 A HA 0.595 4.916 4.320 0.001 0.000 0.316 93 A C -0.932 176.627 177.584 -0.042 0.000 1.104 93 A CA -0.667 51.334 52.037 -0.059 0.000 0.768 93 A CB 1.868 20.821 19.000 -0.080 0.000 1.213 93 A HN 0.617 nan 8.150 nan 0.000 0.456 94 V N 2.935 122.814 119.914 -0.057 0.000 2.971 94 V HA 0.683 4.803 4.120 0.001 0.000 0.309 94 V C -2.023 174.091 176.094 0.033 0.000 1.130 94 V CA -0.742 61.596 62.300 0.062 0.000 0.964 94 V CB 1.925 33.852 31.823 0.174 0.000 1.029 94 V HN 0.792 nan 8.190 nan 0.000 0.427 95 Y N 5.540 125.972 120.300 0.220 0.000 2.350 95 Y HA 0.515 5.065 4.550 0.001 0.000 0.340 95 Y C -0.255 175.803 175.900 0.264 0.000 1.006 95 Y CA -0.148 58.077 58.100 0.208 0.000 1.166 95 Y CB 1.559 40.084 38.460 0.108 0.000 1.168 95 Y HN 0.678 nan 8.280 nan 0.000 0.502 96 F N 3.739 123.849 119.950 0.267 0.000 2.402 96 F HA 0.773 5.301 4.527 0.001 0.000 0.355 96 F C 0.091 176.005 175.800 0.189 0.000 1.123 96 F CA -0.317 57.729 58.000 0.077 0.000 1.021 96 F CB 0.560 39.630 39.000 0.115 0.000 1.160 96 F HN 0.557 nan 8.300 nan 0.000 0.451 97 G N 3.956 112.397 108.800 -0.599 0.000 2.949 97 G HA2 0.151 4.111 3.960 0.001 0.000 0.285 97 G HA3 0.151 4.111 3.960 0.001 0.000 0.285 97 G C -0.077 173.852 174.900 -1.617 0.000 1.395 97 G CA -0.560 43.944 45.100 -0.994 0.000 0.901 97 G HN 0.635 nan 8.290 nan 0.000 0.519 98 E N -1.070 117.983 120.200 -1.911 0.000 2.171 98 E HA -0.157 4.194 4.350 0.001 0.000 0.197 98 E C 2.114 178.369 176.600 -0.575 0.000 0.997 98 E CA 1.838 57.511 56.400 -1.212 0.000 0.810 98 E CB 0.080 29.304 29.700 -0.793 0.000 0.738 98 E HN 0.433 nan 8.360 nan 0.000 0.467 99 T N -0.578 113.698 114.554 -0.463 0.000 3.043 99 T HA 0.207 4.558 4.350 0.001 0.000 0.263 99 T C 0.524 175.114 174.700 -0.183 0.000 1.094 99 T CA 0.617 62.563 62.100 -0.256 0.000 1.127 99 T CB 0.605 69.352 68.868 -0.202 0.000 0.905 99 T HN 0.448 nan 8.240 nan 0.000 0.490 100 G N 0.428 109.066 108.800 -0.269 0.000 2.260 100 G HA2 0.235 4.195 3.960 0.001 0.000 0.250 100 G HA3 0.235 4.195 3.960 0.001 0.000 0.250 100 G C -1.641 173.092 174.900 -0.278 0.000 1.340 100 G CA -1.165 43.826 45.100 -0.182 0.000 1.056 100 G HN 0.148 nan 8.290 nan 0.000 0.471 101 F N 1.066 121.143 119.950 0.211 0.000 2.399 101 F HA 0.833 5.361 4.527 0.001 0.000 0.328 101 F C 0.889 176.780 175.800 0.151 0.000 1.084 101 F CA 0.270 58.403 58.000 0.223 0.000 1.053 101 F CB 2.133 41.243 39.000 0.183 0.000 1.209 101 F HN 0.838 nan 8.300 nan 0.000 0.502 102 S N 0.248 116.158 115.700 0.349 0.000 2.608 102 S HA 0.530 5.001 4.470 0.001 0.000 0.285 102 S C -0.076 174.698 174.600 0.291 0.000 1.108 102 S CA -0.160 58.185 58.200 0.242 0.000 0.858 102 S CB 0.729 64.013 63.200 0.141 0.000 1.077 102 S HN 0.939 nan 8.310 nan 0.000 0.450 103 A N 1.989 124.945 122.820 0.227 0.000 2.168 103 A HA 0.246 4.567 4.320 0.001 0.000 0.215 103 A C 0.520 178.282 177.584 0.297 0.000 1.152 103 A CA 0.611 52.807 52.037 0.265 0.000 0.716 103 A CB -0.369 18.730 19.000 0.164 0.000 0.794 103 A HN 0.764 nan 8.150 nan 0.000 0.465 104 E N 0.096 120.382 120.200 0.143 0.000 2.055 104 E HA 0.289 4.639 4.350 0.001 0.000 0.274 104 E C 0.529 176.975 176.600 -0.256 0.000 0.949 104 E CA -0.587 55.793 56.400 -0.034 0.000 0.775 104 E CB 1.199 30.877 29.700 -0.037 0.000 1.097 104 E HN 0.438 nan 8.360 nan 0.000 0.404 105 R N 2.507 122.508 120.500 -0.830 0.000 2.273 105 R HA -0.357 3.984 4.340 0.001 0.000 0.229 105 R C 2.213 178.249 176.300 -0.440 0.000 1.104 105 R CA 2.813 58.248 56.100 -1.109 0.000 0.870 105 R CB -0.709 28.922 30.300 -1.114 0.000 0.894 105 R HN 0.554 nan 8.270 nan 0.000 0.421 106 S N -0.263 115.252 115.700 -0.308 0.000 2.429 106 S HA -0.313 4.158 4.470 0.001 0.000 0.251 106 S C 1.799 176.308 174.600 -0.151 0.000 1.104 106 S CA 2.398 60.484 58.200 -0.190 0.000 1.130 106 S CB -0.383 62.733 63.200 -0.140 0.000 1.000 106 S HN 0.569 nan 8.310 nan 0.000 0.449 107 K N 0.385 120.714 120.400 -0.119 0.000 2.439 107 K HA 0.192 4.513 4.320 0.001 0.000 0.197 107 K C 2.201 178.758 176.600 -0.071 0.000 1.041 107 K CA 0.696 56.941 56.287 -0.071 0.000 0.970 107 K CB -0.276 32.209 32.500 -0.025 0.000 0.773 107 K HN 0.543 nan 8.250 nan 0.000 0.479 108 A N 1.228 123.993 122.820 -0.092 0.000 2.072 108 A HA 0.166 4.487 4.320 0.001 0.000 0.216 108 A C 1.100 178.537 177.584 -0.245 0.000 1.156 108 A CA 0.969 52.936 52.037 -0.117 0.000 0.701 108 A CB -0.457 18.527 19.000 -0.028 0.000 0.816 108 A HN 0.385 nan 8.150 nan 0.000 0.458 109 G N -1.323 107.340 108.800 -0.229 0.000 2.692 109 G HA2 0.032 3.993 3.960 0.001 0.000 0.248 109 G HA3 0.032 3.993 3.960 0.001 0.000 0.248 109 G C -0.049 174.638 174.900 -0.355 0.000 1.340 109 G CA 0.455 45.387 45.100 -0.279 0.000 0.896 109 G HN 1.825 nan 8.290 nan 0.000 0.570 110 V N -3.501 116.174 119.914 -0.399 0.000 2.686 110 V HA 0.753 4.874 4.120 0.001 0.000 0.306 110 V C 0.212 175.987 176.094 -0.531 0.000 1.065 110 V CA -1.439 60.612 62.300 -0.414 0.000 0.894 110 V CB 1.379 33.050 31.823 -0.252 0.000 1.004 110 V HN 1.005 nan 8.190 nan 0.000 0.424 111 F N 2.080 121.681 119.950 -0.581 0.000 2.496 111 F HA 0.520 5.048 4.527 0.001 0.000 0.344 111 F C 0.962 176.382 175.800 -0.634 0.000 1.155 111 F CA 0.276 57.911 58.000 -0.608 0.000 1.302 111 F CB 0.553 39.130 39.000 -0.705 0.000 1.159 111 F HN 0.555 nan 8.300 nan 0.000 0.595 112 Q N 1.256 121.001 119.800 -0.093 0.000 2.337 112 Q HA 0.245 4.586 4.340 0.001 0.000 0.270 112 Q C -1.767 174.347 176.000 0.190 0.000 1.043 112 Q CA -0.884 54.930 55.803 0.018 0.000 0.794 112 Q CB 2.522 31.245 28.738 -0.025 0.000 1.281 112 Q HN 0.618 nan 8.270 nan 0.000 0.446 113 Y N 1.350 121.789 120.300 0.232 0.000 2.717 113 Y HA 0.327 4.877 4.550 0.001 0.000 0.329 113 Y C 0.844 176.839 175.900 0.158 0.000 1.017 113 Y CA -0.229 57.996 58.100 0.209 0.000 1.275 113 Y CB 0.498 39.089 38.460 0.218 0.000 1.109 113 Y HN 0.930 nan 8.280 nan 0.000 0.511 114 A N 4.654 127.462 122.820 -0.019 0.000 1.917 114 A HA -0.185 4.136 4.320 0.001 0.000 0.219 114 A C -0.267 177.460 177.584 0.238 0.000 1.182 114 A CA 1.836 53.926 52.037 0.088 0.000 0.633 114 A CB -0.383 18.640 19.000 0.037 0.000 0.819 114 A HN 0.712 nan 8.150 nan 0.000 0.448 115 Y N -2.277 118.028 120.300 0.009 0.000 2.409 115 Y HA 0.444 4.995 4.550 0.001 0.000 0.321 115 Y C -1.149 174.780 175.900 0.048 0.000 1.209 115 Y CA -1.082 57.019 58.100 0.002 0.000 1.086 115 Y CB 1.064 39.454 38.460 -0.117 0.000 1.320 115 Y HN 0.108 nan 8.280 nan 0.000 0.440 116 I N 5.994 126.494 120.570 -0.118 0.000 2.325 116 I HA 0.210 4.381 4.170 0.001 0.000 0.291 116 I C -0.683 175.418 176.117 -0.026 0.000 1.019 116 I CA -0.215 61.112 61.300 0.044 0.000 1.302 116 I CB 0.584 38.550 38.000 -0.057 0.000 1.401 116 I HN 0.624 nan 8.210 nan 0.000 0.485 117 H N 5.351 124.580 119.070 0.264 0.000 2.476 117 H HA 0.302 4.858 4.556 0.002 0.000 0.328 117 H C 0.809 176.233 175.328 0.160 0.000 1.073 117 H CA -0.631 55.570 56.048 0.256 0.000 1.229 117 H CB 1.229 31.126 29.762 0.226 0.000 1.432 117 H HN 0.451 nan 8.280 nan 0.000 0.477 118 R N 0.965 121.598 120.500 0.223 0.000 2.165 118 R HA -0.231 4.110 4.340 0.001 0.000 0.254 118 R C 1.763 178.153 176.300 0.150 0.000 1.153 118 R CA 1.890 58.080 56.100 0.150 0.000 0.971 118 R CB -0.432 29.944 30.300 0.126 0.000 0.878 118 R HN 0.555 nan 8.270 nan 0.000 0.449 119 S N 0.296 116.098 115.700 0.169 0.000 2.561 119 S HA -0.013 4.458 4.470 0.001 0.000 0.225 119 S C 1.325 175.999 174.600 0.123 0.000 0.977 119 S CA 0.521 58.795 58.200 0.122 0.000 0.926 119 S CB 0.187 63.442 63.200 0.091 0.000 0.769 119 S HN 0.391 nan 8.310 nan 0.000 0.533 120 E N 0.848 121.152 120.200 0.172 0.000 2.476 120 E HA 0.194 4.545 4.350 0.001 0.000 0.196 120 E C -0.798 175.901 176.600 0.165 0.000 1.029 120 E CA -0.195 56.302 56.400 0.161 0.000 0.896 120 E CB 0.869 30.705 29.700 0.227 0.000 1.012 120 E HN 0.339 nan 8.360 nan 0.000 0.475 121 V N 2.279 122.289 119.914 0.161 0.000 2.455 121 V HA 0.039 4.160 4.120 0.001 0.000 0.273 121 V C 0.146 176.373 176.094 0.220 0.000 1.045 121 V CA -0.124 62.280 62.300 0.173 0.000 0.976 121 V CB -0.014 31.890 31.823 0.135 0.000 0.993 121 V HN 0.194 nan 8.190 nan 0.000 0.475 122 F N 5.640 125.613 119.950 0.038 0.000 2.571 122 F HA 0.290 4.818 4.527 0.001 0.000 0.384 122 F C 0.721 176.520 175.800 -0.002 0.000 1.058 122 F CA -0.115 57.885 58.000 -0.001 0.000 1.200 122 F CB 0.508 39.473 39.000 -0.058 0.000 1.077 122 F HN 0.657 nan 8.300 nan 0.000 0.558 123 T N 2.090 116.925 114.554 0.470 0.000 2.921 123 T HA 0.547 4.898 4.350 0.001 0.000 0.297 123 T C -0.381 174.427 174.700 0.179 0.000 1.013 123 T CA -0.694 61.519 62.100 0.188 0.000 0.990 123 T CB 1.722 70.659 68.868 0.116 0.000 1.023 123 T HN 0.640 nan 8.240 nan 0.000 0.447 124 T N 0.405 114.968 114.554 0.016 0.000 2.942 124 T HA 0.801 5.152 4.350 0.001 0.000 0.289 124 T C -2.959 171.691 174.700 -0.082 0.000 1.044 124 T CA -2.114 59.967 62.100 -0.033 0.000 1.023 124 T CB 0.898 69.667 68.868 -0.165 0.000 1.123 124 T HN 0.462 nan 8.240 nan 0.000 0.512 125 P HA 0.297 nan 4.420 nan 0.000 0.271 125 P C 0.758 177.910 177.300 -0.247 0.000 1.218 125 P CA -0.416 62.585 63.100 -0.165 0.000 0.780 125 P CB 0.628 32.176 31.700 -0.253 0.000 0.901 126 E N 1.651 121.799 120.200 -0.086 0.000 2.072 126 E HA -0.107 4.243 4.350 0.001 0.000 0.190 126 E C 1.877 178.448 176.600 -0.048 0.000 0.982 126 E CA 1.180 57.548 56.400 -0.054 0.000 0.803 126 E CB -0.428 29.289 29.700 0.029 0.000 0.755 126 E HN 0.702 nan 8.360 nan 0.000 0.453 127 W N 1.260 122.556 121.300 -0.006 0.000 2.342 127 W HA -0.060 4.601 4.660 0.002 0.000 0.297 127 W C 1.845 178.368 176.519 0.007 0.000 1.213 127 W CA 1.082 58.421 57.345 -0.010 0.000 1.251 127 W CB -1.133 28.319 29.460 -0.013 0.000 1.136 127 W HN -0.044 nan 8.180 nan 0.000 0.526 128 A N 1.930 124.221 122.820 -0.881 0.000 1.978 128 A HA -0.222 4.099 4.320 0.001 0.000 0.220 128 A C 2.141 179.563 177.584 -0.269 0.000 1.170 128 A CA 2.199 53.799 52.037 -0.728 0.000 0.636 128 A CB -0.779 17.669 19.000 -0.919 0.000 0.810 128 A HN 0.389 nan 8.150 nan 0.000 0.448 129 K N -0.013 120.258 120.400 -0.214 0.000 2.113 129 K HA -0.193 4.127 4.320 0.001 0.000 0.208 129 K C 0.942 177.496 176.600 -0.077 0.000 1.047 129 K CA 1.620 57.827 56.287 -0.133 0.000 0.928 129 K CB -0.155 32.278 32.500 -0.111 0.000 0.716 129 K HN 0.897 nan 8.250 nan 0.000 0.446 130 E N -0.194 119.993 120.200 -0.023 0.000 3.157 130 E HA 0.373 4.723 4.350 0.001 0.000 0.203 130 E C -0.670 175.996 176.600 0.111 0.000 0.982 130 E CA -0.495 55.925 56.400 0.033 0.000 1.217 130 E CB 0.891 30.617 29.700 0.044 0.000 1.123 130 E HN 0.084 nan 8.360 nan 0.000 0.457 131 A N 0.580 123.457 122.820 0.096 0.000 2.264 131 A HA 0.643 4.964 4.320 0.001 0.000 0.304 131 A C -0.317 177.309 177.584 0.070 0.000 1.100 131 A CA -0.571 51.564 52.037 0.162 0.000 0.839 131 A CB 1.430 20.569 19.000 0.231 0.000 1.121 131 A HN 0.158 nan 8.150 nan 0.000 0.496 132 V N 1.194 121.154 119.914 0.077 0.000 2.588 132 V HA 0.434 4.555 4.120 0.001 0.000 0.304 132 V C -0.852 175.207 176.094 -0.057 0.000 1.042 132 V CA -0.152 62.127 62.300 -0.035 0.000 0.877 132 V CB 1.443 33.264 31.823 -0.005 0.000 0.996 132 V HN 0.711 nan 8.190 nan 0.000 0.425 133 I N 4.151 124.597 120.570 -0.207 0.000 2.493 133 I HA 0.456 4.627 4.170 0.001 0.000 0.298 133 I C -1.079 174.954 176.117 -0.139 0.000 0.998 133 I CA -0.538 60.607 61.300 -0.258 0.000 1.137 133 I CB 1.791 39.348 38.000 -0.738 0.000 1.310 133 I HN 0.597 nan 8.210 nan 0.000 0.445 134 Y N 4.988 125.171 120.300 -0.194 0.000 2.328 134 Y HA 0.389 4.939 4.550 0.001 0.000 0.333 134 Y C -0.207 175.597 175.900 -0.160 0.000 0.958 134 Y CA -0.525 57.493 58.100 -0.137 0.000 1.167 134 Y CB 1.279 39.662 38.460 -0.128 0.000 1.151 134 Y HN 0.535 nan 8.280 nan 0.000 0.470 135 Q N 6.766 126.400 119.800 -0.277 0.000 2.294 135 Q HA 0.411 4.752 4.340 0.001 0.000 0.257 135 Q C -1.356 174.512 176.000 -0.220 0.000 0.955 135 Q CA -0.519 55.192 55.803 -0.153 0.000 0.936 135 Q CB 0.614 29.434 28.738 0.136 0.000 1.188 135 Q HN 0.625 nan 8.270 nan 0.000 0.420 136 I N 4.830 125.175 120.570 -0.375 0.000 2.354 136 I HA 0.233 4.404 4.170 0.001 0.000 0.292 136 I C -0.656 175.321 176.117 -0.234 0.000 0.989 136 I CA -0.647 60.429 61.300 -0.374 0.000 1.188 136 I CB 0.755 38.399 38.000 -0.595 0.000 1.342 136 I HN 0.704 nan 8.210 nan 0.000 0.457 137 F N 9.518 129.281 119.950 -0.311 0.000 2.309 137 F HA 0.420 4.947 4.527 0.001 0.000 0.366 137 F C -1.733 173.971 175.800 -0.160 0.000 1.104 137 F CA -2.062 55.842 58.000 -0.160 0.000 1.179 137 F CB 0.863 39.894 39.000 0.051 0.000 1.437 137 F HN 0.281 nan 8.300 nan 0.000 0.528 138 P HA -0.237 nan 4.420 nan 0.000 0.215 138 P C 1.532 178.812 177.300 -0.034 0.000 1.157 138 P CA 1.265 64.199 63.100 -0.277 0.000 0.874 138 P CB 0.200 31.366 31.700 -0.891 0.000 0.790 139 E N -0.130 120.139 120.200 0.116 0.000 2.233 139 E HA -0.209 4.141 4.350 0.001 0.000 0.199 139 E C 0.982 177.867 176.600 0.474 0.000 1.004 139 E CA 1.095 57.804 56.400 0.515 0.000 0.819 139 E CB -0.036 30.016 29.700 0.587 0.000 0.738 139 E HN 0.375 nan 8.360 nan 0.000 0.478 140 R N -1.539 119.181 120.500 0.367 0.000 2.662 140 R HA 0.170 4.511 4.340 0.001 0.000 0.396 140 R C 1.303 177.674 176.300 0.118 0.000 1.096 140 R CA -0.234 55.943 56.100 0.128 0.000 1.081 140 R CB -0.286 29.975 30.300 -0.065 0.000 1.382 140 R HN 0.026 nan 8.270 nan 0.000 0.580 141 F N 1.394 121.457 119.950 0.188 0.000 2.315 141 F HA 0.441 4.969 4.527 0.001 0.000 0.284 141 F C 0.161 176.363 175.800 0.671 0.000 1.049 141 F CA 0.262 58.372 58.000 0.184 0.000 1.323 141 F CB 0.692 39.687 39.000 -0.008 0.000 1.113 141 F HN 0.012 nan 8.300 nan 0.000 0.544 142 A N 0.945 123.983 122.820 0.364 0.000 2.485 142 A HA 0.292 4.613 4.320 0.001 0.000 0.285 142 A C -1.520 175.979 177.584 -0.142 0.000 1.045 142 A CA -0.663 51.304 52.037 -0.117 0.000 0.792 142 A CB 0.071 18.922 19.000 -0.247 0.000 1.307 142 A HN 0.164 nan 8.150 nan 0.000 0.406 143 N N 2.072 120.461 118.700 -0.519 0.000 2.466 143 N HA 0.242 4.982 4.740 0.001 0.000 0.263 143 N C 1.111 176.493 175.510 -0.214 0.000 1.178 143 N CA 0.833 53.748 53.050 -0.226 0.000 0.983 143 N CB 0.884 39.248 38.487 -0.205 0.000 1.331 143 N HN 0.780 nan 8.380 nan 0.000 0.500 144 G N 1.062 109.792 108.800 -0.116 0.000 2.887 144 G HA2 -0.061 3.900 3.960 0.001 0.000 0.211 144 G HA3 -0.061 3.900 3.960 0.001 0.000 0.211 144 G C 0.071 174.932 174.900 -0.065 0.000 1.152 144 G CA -0.054 44.972 45.100 -0.124 0.000 0.769 144 G HN 0.484 nan 8.290 nan 0.000 0.541 145 D N -0.283 120.107 120.400 -0.016 0.000 2.389 145 D HA 0.340 4.981 4.640 0.001 0.000 0.256 145 D C -1.872 174.442 176.300 0.024 0.000 1.239 145 D CA -2.063 51.940 54.000 0.006 0.000 0.925 145 D CB 2.161 42.979 40.800 0.030 0.000 1.145 145 D HN -0.100 nan 8.370 nan 0.000 0.542 146 P HA -0.122 nan 4.420 nan 0.000 0.218 146 P C 1.358 178.672 177.300 0.024 0.000 1.149 146 P CA 0.932 64.044 63.100 0.020 0.000 0.817 146 P CB 0.161 31.862 31.700 0.001 0.000 0.785 147 S N 0.046 115.755 115.700 0.016 0.000 2.474 147 S HA -0.121 4.350 4.470 0.001 0.000 0.235 147 S C 1.448 176.057 174.600 0.016 0.000 0.997 147 S CA 1.074 59.282 58.200 0.013 0.000 0.949 147 S CB -1.331 61.874 63.200 0.009 0.000 0.766 147 S HN 0.210 nan 8.310 nan 0.000 0.517 148 N N 0.657 119.375 118.700 0.029 0.000 2.235 148 N HA 0.156 4.897 4.740 0.001 0.000 0.209 148 N C -1.199 174.324 175.510 0.022 0.000 1.122 148 N CA -0.370 52.697 53.050 0.027 0.000 0.845 148 N CB -0.473 38.045 38.487 0.051 0.000 1.004 148 N HN 0.109 nan 8.380 nan 0.000 0.499 149 D N 2.020 122.437 120.400 0.029 0.000 2.424 149 D HA 0.224 4.865 4.640 0.001 0.000 0.244 149 D C -2.066 174.206 176.300 -0.046 0.000 1.134 149 D CA -0.938 53.083 54.000 0.036 0.000 0.881 149 D CB 0.716 41.552 40.800 0.060 0.000 1.191 149 D HN 0.216 nan 8.370 nan 0.000 0.445 150 P HA 0.194 nan 4.420 nan 0.000 0.272 150 P C -2.554 174.611 177.300 -0.225 0.000 1.230 150 P CA -1.089 61.815 63.100 -0.325 0.000 0.788 150 P CB -0.010 31.202 31.700 -0.813 0.000 0.949 151 P HA 0.129 nan 4.420 nan 0.000 0.267 151 P C 0.683 177.944 177.300 -0.064 0.000 1.209 151 P CA 1.236 64.267 63.100 -0.115 0.000 0.763 151 P CB -0.016 31.620 31.700 -0.106 0.000 0.816 152 G N 1.782 110.574 108.800 -0.013 0.000 2.132 152 G HA2 -0.225 3.736 3.960 0.001 0.000 0.234 152 G HA3 -0.225 3.736 3.960 0.001 0.000 0.234 152 G C 0.324 175.243 174.900 0.032 0.000 0.989 152 G CA -0.281 44.832 45.100 0.022 0.000 0.676 152 G HN 0.528 nan 8.290 nan 0.000 0.522 153 T N 1.600 116.172 114.554 0.029 0.000 2.778 153 T HA 0.274 4.625 4.350 0.001 0.000 0.282 153 T C 0.960 175.634 174.700 -0.042 0.000 0.983 153 T CA 0.915 63.034 62.100 0.033 0.000 1.193 153 T CB 0.623 69.539 68.868 0.080 0.000 0.938 153 T HN 0.555 nan 8.240 nan 0.000 0.523 154 E N 2.356 122.429 120.200 -0.211 0.000 2.605 154 E HA 0.158 4.509 4.350 0.001 0.000 0.255 154 E C 0.439 176.993 176.600 -0.076 0.000 1.369 154 E CA -0.455 55.812 56.400 -0.222 0.000 1.017 154 E CB 0.516 29.957 29.700 -0.431 0.000 1.086 154 E HN 0.550 nan 8.360 nan 0.000 0.605 155 Q N 0.311 120.146 119.800 0.058 0.000 2.245 155 Q HA 0.119 4.460 4.340 0.001 0.000 0.256 155 Q C -1.069 175.158 176.000 0.378 0.000 0.942 155 Q CA -0.522 55.406 55.803 0.208 0.000 0.896 155 Q CB 1.036 29.865 28.738 0.152 0.000 1.272 155 Q HN 0.516 nan 8.270 nan 0.000 0.442 156 W N 3.317 124.757 121.300 0.235 0.000 2.072 156 W HA 0.491 5.152 4.660 0.001 0.000 0.413 156 W C -1.350 175.242 176.519 0.122 0.000 0.865 156 W CA -0.297 57.186 57.345 0.231 0.000 1.579 156 W CB -0.116 29.454 29.460 0.183 0.000 1.720 156 W HN 0.581 nan 8.180 nan 0.000 0.301 157 A N 4.202 127.143 122.820 0.202 0.000 2.413 157 A HA 0.316 4.637 4.320 0.001 0.000 0.307 157 A C 1.121 178.724 177.584 0.032 0.000 1.087 157 A CA -0.639 51.487 52.037 0.149 0.000 0.750 157 A CB 1.524 20.597 19.000 0.122 0.000 1.296 157 A HN 0.297 nan 8.150 nan 0.000 0.423 158 K N 0.509 120.936 120.400 0.045 0.000 2.525 158 K HA -0.207 4.114 4.320 0.001 0.000 0.199 158 K C -0.377 176.191 176.600 -0.053 0.000 1.047 158 K CA 2.090 58.373 56.287 -0.006 0.000 0.930 158 K CB -0.329 32.175 32.500 0.007 0.000 0.763 158 K HN 0.870 nan 8.250 nan 0.000 0.492 159 D N -3.426 116.939 120.400 -0.058 0.000 4.559 159 D HA 0.077 4.718 4.640 0.001 0.000 0.212 159 D C -0.642 175.634 176.300 -0.041 0.000 1.399 159 D CA -0.053 53.909 54.000 -0.063 0.000 0.822 159 D CB -1.021 39.754 40.800 -0.041 0.000 1.402 159 D HN 0.108 nan 8.370 nan 0.000 0.901 160 A N 1.097 123.889 122.820 -0.047 0.000 2.511 160 A HA 0.525 4.846 4.320 0.001 0.000 0.242 160 A C 0.429 177.989 177.584 -0.040 0.000 1.069 160 A CA -0.248 51.792 52.037 0.005 0.000 0.763 160 A CB 0.435 19.486 19.000 0.085 0.000 1.001 160 A HN 0.264 nan 8.150 nan 0.000 0.498 161 R N 2.956 123.458 120.500 0.003 0.000 2.287 161 R HA 0.319 4.659 4.340 0.001 0.000 0.316 161 R C -2.872 173.430 176.300 0.004 0.000 1.050 161 R CA -1.639 54.444 56.100 -0.028 0.000 0.983 161 R CB 0.470 30.749 30.300 -0.036 0.000 1.140 161 R HN 0.468 nan 8.270 nan 0.000 0.528 162 P HA 0.084 nan 4.420 nan 0.000 0.267 162 P C -0.084 177.177 177.300 -0.065 0.000 1.200 162 P CA 0.030 63.156 63.100 0.043 0.000 0.772 162 P CB 0.714 32.407 31.700 -0.012 0.000 0.855 163 R N 1.057 121.512 120.500 -0.076 0.000 2.691 163 R HA 0.279 4.620 4.340 0.001 0.000 0.259 163 R C 1.588 177.799 176.300 -0.148 0.000 1.048 163 R CA -0.754 55.279 56.100 -0.113 0.000 1.086 163 R CB 0.360 30.633 30.300 -0.046 0.000 1.166 163 R HN 0.561 nan 8.270 nan 0.000 0.526 164 H N 1.117 120.171 119.070 -0.026 0.000 2.466 164 H HA -0.156 4.401 4.556 0.001 0.000 0.297 164 H C 0.544 175.871 175.328 -0.001 0.000 1.113 164 H CA 1.881 57.946 56.048 0.028 0.000 1.273 164 H CB 0.129 29.944 29.762 0.088 0.000 1.371 164 H HN 0.575 nan 8.280 nan 0.000 0.528 165 D N -0.963 119.461 120.400 0.040 0.000 2.462 165 D HA 0.063 4.704 4.640 0.001 0.000 0.221 165 D C 0.269 176.399 176.300 -0.283 0.000 1.173 165 D CA -0.227 53.748 54.000 -0.043 0.000 0.831 165 D CB -0.139 40.703 40.800 0.070 0.000 1.001 165 D HN -0.136 nan 8.370 nan 0.000 0.499 166 S N -0.098 115.387 115.700 -0.358 0.000 2.584 166 S HA 0.442 4.913 4.470 0.001 0.000 0.270 166 S C -0.414 173.834 174.600 -0.586 0.000 1.346 166 S CA -0.076 57.924 58.200 -0.334 0.000 1.018 166 S CB 0.361 63.454 63.200 -0.178 0.000 0.899 166 S HN 0.193 nan 8.310 nan 0.000 0.542 167 F N 0.339 120.213 119.950 -0.127 0.000 2.569 167 F HA 0.383 4.911 4.527 0.001 0.000 0.312 167 F C -0.131 175.564 175.800 -0.174 0.000 1.109 167 F CA -0.599 57.401 58.000 -0.001 0.000 0.919 167 F CB 1.409 40.425 39.000 0.026 0.000 1.211 167 F HN 0.606 nan 8.300 nan 0.000 0.446 168 Y N 0.328 120.804 120.300 0.294 0.000 2.481 168 Y HA 0.324 4.874 4.550 0.001 0.000 0.247 168 Y C 1.597 177.787 175.900 0.483 0.000 1.151 168 Y CA 0.160 58.418 58.100 0.264 0.000 1.238 168 Y CB 1.136 39.561 38.460 -0.058 0.000 1.179 168 Y HN 0.836 nan 8.280 nan 0.000 0.524 169 G N 0.475 109.619 108.800 0.574 0.000 2.141 169 G HA2 -0.236 3.725 3.960 0.001 0.000 0.242 169 G HA3 -0.236 3.725 3.960 0.001 0.000 0.242 169 G C 0.672 175.889 174.900 0.529 0.000 0.982 169 G CA -0.187 45.202 45.100 0.481 0.000 0.662 169 G HN 0.668 nan 8.290 nan 0.000 0.527 170 G N 0.255 109.478 108.800 0.704 0.000 2.414 170 G HA2 0.544 4.505 3.960 0.001 0.000 0.236 170 G HA3 0.544 4.505 3.960 0.001 0.000 0.236 170 G C 0.065 175.211 174.900 0.410 0.000 1.293 170 G CA 0.976 46.422 45.100 0.578 0.000 0.869 170 G HN 1.084 nan 8.290 nan 0.000 0.556 171 D N -0.062 120.485 120.400 0.245 0.000 2.759 171 D HA 0.208 4.849 4.640 0.001 0.000 0.321 171 D C 1.227 177.556 176.300 0.049 0.000 1.267 171 D CA -0.932 53.181 54.000 0.189 0.000 0.933 171 D CB 0.427 41.377 40.800 0.249 0.000 1.431 171 D HN 0.178 nan 8.370 nan 0.000 0.504 172 L N -1.031 120.202 121.223 0.015 0.000 2.141 172 L HA -0.060 4.281 4.340 0.001 0.000 0.209 172 L C 2.124 179.014 176.870 0.032 0.000 1.094 172 L CA 1.014 55.849 54.840 -0.007 0.000 0.763 172 L CB -0.516 41.546 42.059 0.004 0.000 0.908 172 L HN 0.380 nan 8.230 nan 0.000 0.437 173 K N 1.131 121.555 120.400 0.039 0.000 2.097 173 K HA -0.089 4.231 4.320 0.001 0.000 0.206 173 K C 1.935 178.529 176.600 -0.009 0.000 1.049 173 K CA 1.493 57.787 56.287 0.012 0.000 0.933 173 K CB -0.852 31.655 32.500 0.011 0.000 0.717 173 K HN 0.208 nan 8.250 nan 0.000 0.442 174 G N -0.055 108.746 108.800 0.001 0.000 2.422 174 G HA2 -0.177 3.784 3.960 0.001 0.000 0.218 174 G HA3 -0.177 3.784 3.960 0.001 0.000 0.218 174 G C 1.532 176.485 174.900 0.088 0.000 1.146 174 G CA 1.030 46.111 45.100 -0.032 0.000 0.769 174 G HN 0.197 nan 8.290 nan 0.000 0.547 175 V N 1.281 121.319 119.914 0.207 0.000 2.295 175 V HA -0.158 3.963 4.120 0.001 0.000 0.246 175 V C 2.775 178.955 176.094 0.144 0.000 1.049 175 V CA 1.465 63.941 62.300 0.295 0.000 1.024 175 V CB -0.436 31.542 31.823 0.258 0.000 0.648 175 V HN 0.392 nan 8.190 nan 0.000 0.447 176 I N 0.299 120.901 120.570 0.053 0.000 2.208 176 I HA -0.268 3.903 4.170 0.001 0.000 0.245 176 I C 2.280 178.386 176.117 -0.018 0.000 1.097 176 I CA 1.761 63.062 61.300 0.001 0.000 1.363 176 I CB -0.513 37.473 38.000 -0.023 0.000 1.051 176 I HN 0.342 nan 8.210 nan 0.000 0.413 177 D N 0.533 120.904 120.400 -0.049 0.000 2.149 177 D HA -0.090 4.551 4.640 0.001 0.000 0.201 177 D C 2.060 178.278 176.300 -0.138 0.000 0.972 177 D CA 0.898 54.831 54.000 -0.112 0.000 0.835 177 D CB -0.149 40.544 40.800 -0.179 0.000 0.966 177 D HN 0.257 nan 8.370 nan 0.000 0.476 178 R N 0.495 120.930 120.500 -0.107 0.000 2.310 178 R HA 0.166 4.507 4.340 0.001 0.000 0.202 178 R C 2.194 178.570 176.300 0.127 0.000 0.933 178 R CA -0.138 55.914 56.100 -0.082 0.000 1.054 178 R CB -0.228 30.032 30.300 -0.067 0.000 0.985 178 R HN 0.296 nan 8.270 nan 0.000 0.489 179 L N 1.047 122.320 121.223 0.083 0.000 2.081 179 L HA -0.161 4.180 4.340 0.001 0.000 0.212 179 L C -0.619 176.293 176.870 0.071 0.000 1.080 179 L CA 1.743 56.625 54.840 0.070 0.000 0.754 179 L CB -1.533 40.538 42.059 0.020 0.000 0.893 179 L HN 0.077 nan 8.230 nan 0.000 0.433 180 P HA -0.215 nan 4.420 nan 0.000 0.217 180 P C 1.355 178.739 177.300 0.141 0.000 1.150 180 P CA 1.207 64.348 63.100 0.067 0.000 0.832 180 P CB -0.048 31.677 31.700 0.043 0.000 0.787 181 Y N 0.640 120.968 120.300 0.048 0.000 2.070 181 Y HA -0.247 4.304 4.550 0.001 0.000 0.280 181 Y C 1.947 177.940 175.900 0.156 0.000 1.148 181 Y CA 1.502 59.685 58.100 0.137 0.000 1.125 181 Y CB -1.145 37.419 38.460 0.174 0.000 0.975 181 Y HN -0.265 nan 8.280 nan 0.000 0.492 182 L N 1.143 122.487 121.223 0.202 0.000 2.010 182 L HA -0.309 4.032 4.340 0.001 0.000 0.219 182 L C 2.548 179.363 176.870 -0.092 0.000 1.077 182 L CA 2.445 57.244 54.840 -0.069 0.000 0.773 182 L CB -1.834 40.173 42.059 -0.087 0.000 0.892 182 L HN 0.514 nan 8.230 nan 0.000 0.436 183 E N -0.183 120.000 120.200 -0.029 0.000 2.051 183 E HA -0.266 4.085 4.350 0.001 0.000 0.192 183 E C 2.141 178.717 176.600 -0.041 0.000 0.991 183 E CA 1.325 57.704 56.400 -0.034 0.000 0.799 183 E CB -0.102 29.588 29.700 -0.016 0.000 0.748 183 E HN 0.562 nan 8.360 nan 0.000 0.449 184 E N 0.141 120.329 120.200 -0.020 0.000 2.171 184 E HA -0.239 4.112 4.350 0.001 0.000 0.197 184 E C 2.167 178.697 176.600 -0.117 0.000 0.997 184 E CA 1.144 57.530 56.400 -0.023 0.000 0.810 184 E CB -0.112 29.630 29.700 0.070 0.000 0.738 184 E HN 0.299 nan 8.360 nan 0.000 0.467 185 L N -0.387 120.730 121.223 -0.176 0.000 2.141 185 L HA 0.044 4.385 4.340 0.001 0.000 0.209 185 L C 1.531 178.305 176.870 -0.161 0.000 1.094 185 L CA 2.206 56.877 54.840 -0.281 0.000 0.763 185 L CB -0.023 41.883 42.059 -0.255 0.000 0.908 185 L HN 0.322 nan 8.230 nan 0.000 0.437 186 G N -1.126 107.623 108.800 -0.085 0.000 2.148 186 G HA2 -0.174 3.786 3.960 0.001 0.000 0.203 186 G HA3 -0.174 3.786 3.960 0.001 0.000 0.203 186 G C 0.274 175.210 174.900 0.060 0.000 0.993 186 G CA 0.171 45.272 45.100 0.001 0.000 0.661 186 G HN 0.822 nan 8.290 nan 0.000 0.518 187 V N -0.764 119.151 119.914 0.003 0.000 2.963 187 V HA 0.774 4.895 4.120 0.001 0.000 0.306 187 V C 1.184 177.289 176.094 0.018 0.000 1.077 187 V CA 1.361 63.678 62.300 0.028 0.000 1.124 187 V CB 1.355 33.172 31.823 -0.010 0.000 0.987 187 V HN 1.065 nan 8.190 nan 0.000 0.487 188 T N -0.706 113.873 114.554 0.041 0.000 3.004 188 T HA 0.711 5.062 4.350 0.001 0.000 0.266 188 T C 0.319 175.028 174.700 0.014 0.000 0.986 188 T CA 0.412 62.521 62.100 0.016 0.000 0.902 188 T CB 0.227 69.121 68.868 0.044 0.000 1.118 188 T HN 1.708 nan 8.240 nan 0.000 0.522 189 A N 0.945 123.788 122.820 0.039 0.000 2.556 189 A HA 0.811 5.132 4.320 0.001 0.000 0.294 189 A C -1.674 175.905 177.584 -0.009 0.000 1.091 189 A CA -0.953 51.105 52.037 0.035 0.000 0.704 189 A CB 1.278 20.393 19.000 0.192 0.000 1.300 189 A HN 0.356 nan 8.150 nan 0.000 0.406 190 L N 1.374 122.569 121.223 -0.047 0.000 2.341 190 L HA 0.428 4.769 4.340 0.001 0.000 0.278 190 L C -1.177 175.589 176.870 -0.172 0.000 1.005 190 L CA -0.738 53.981 54.840 -0.202 0.000 0.818 190 L CB 1.774 43.567 42.059 -0.443 0.000 1.259 190 L HN 0.781 nan 8.230 nan 0.000 0.418 191 Y N 4.107 124.232 120.300 -0.291 0.000 2.434 191 Y HA 0.458 5.009 4.550 0.001 0.000 0.341 191 Y C -1.110 174.636 175.900 -0.256 0.000 0.965 191 Y CA -1.590 56.445 58.100 -0.109 0.000 1.205 191 Y CB 0.276 38.780 38.460 0.074 0.000 1.121 191 Y HN 0.251 nan 8.280 nan 0.000 0.507 192 F N 4.225 124.097 119.950 -0.129 0.000 2.424 192 F HA 0.261 4.789 4.527 0.001 0.000 0.356 192 F C 1.369 176.829 175.800 -0.566 0.000 1.110 192 F CA -0.126 57.647 58.000 -0.379 0.000 1.161 192 F CB 0.759 39.604 39.000 -0.259 0.000 1.115 192 F HN 0.438 nan 8.300 nan 0.000 0.507 193 T N 4.717 118.910 114.554 -0.601 0.000 2.701 193 T HA -0.014 4.337 4.350 0.001 0.000 0.354 193 T C -2.244 172.240 174.700 -0.361 0.000 1.085 193 T CA -0.532 61.312 62.100 -0.426 0.000 1.094 193 T CB 0.152 68.757 68.868 -0.439 0.000 1.010 193 T HN 0.238 nan 8.240 nan 0.000 0.548 194 P HA 0.148 nan 4.420 nan 0.000 0.266 194 P C 0.203 177.260 177.300 -0.405 0.000 1.195 194 P CA 0.382 63.152 63.100 -0.550 0.000 0.768 194 P CB 0.070 31.347 31.700 -0.704 0.000 0.838 195 I N -1.831 118.404 120.570 -0.558 0.000 3.813 195 I HA 0.373 4.543 4.170 0.001 0.000 0.323 195 I C -0.539 175.505 176.117 -0.120 0.000 1.536 195 I CA -0.371 60.796 61.300 -0.222 0.000 1.083 195 I CB -0.130 37.608 38.000 -0.436 0.000 1.265 195 I HN 0.023 nan 8.210 nan 0.000 0.507 196 F N 2.019 121.904 119.950 -0.108 0.000 2.450 196 F HA 0.748 5.276 4.527 0.001 0.000 0.328 196 F C 1.265 177.025 175.800 -0.066 0.000 1.068 196 F CA -1.431 56.520 58.000 -0.082 0.000 1.007 196 F CB 1.243 40.212 39.000 -0.052 0.000 1.251 196 F HN 0.004 nan 8.300 nan 0.000 0.492 197 A N 1.961 124.896 122.820 0.191 0.000 2.545 197 A HA 0.359 4.680 4.320 0.001 0.000 0.253 197 A C 0.053 177.653 177.584 0.026 0.000 1.074 197 A CA 0.460 52.538 52.037 0.068 0.000 0.760 197 A CB -0.332 18.721 19.000 0.088 0.000 1.005 197 A HN 0.638 nan 8.150 nan 0.000 0.506 198 S N 3.166 118.845 115.700 -0.035 0.000 2.550 198 S HA 0.722 5.193 4.470 0.001 0.000 0.270 198 S C -3.208 171.371 174.600 -0.035 0.000 1.145 198 S CA -0.988 57.199 58.200 -0.021 0.000 0.852 198 S CB 2.172 65.353 63.200 -0.032 0.000 1.119 198 S HN 0.461 nan 8.310 nan 0.000 0.465 199 P HA 0.305 nan 4.420 nan 0.000 0.209 199 P C -0.703 176.644 177.300 0.078 0.000 1.843 199 P CA -0.137 62.981 63.100 0.030 0.000 0.985 199 P CB -0.649 31.084 31.700 0.055 0.000 1.904 200 S N -0.187 115.545 115.700 0.053 0.000 2.636 200 S HA 0.233 4.703 4.470 0.001 0.000 0.268 200 S C 0.944 175.545 174.600 0.001 0.000 1.159 200 S CA -0.677 57.519 58.200 -0.008 0.000 0.815 200 S CB 0.454 63.383 63.200 -0.452 0.000 1.130 200 S HN 0.416 nan 8.310 nan 0.000 0.471 201 H N 0.551 119.478 119.070 -0.239 0.000 2.547 201 H HA 0.062 4.619 4.556 0.001 0.000 0.272 201 H C 1.095 176.471 175.328 0.081 0.000 0.989 201 H CA 1.803 57.800 56.048 -0.084 0.000 1.214 201 H CB -0.408 29.220 29.762 -0.222 0.000 1.389 201 H HN 0.950 nan 8.280 nan 0.000 0.577 202 H N -0.565 118.306 119.070 -0.331 0.000 2.681 202 H HA 0.265 4.822 4.556 0.001 0.000 0.268 202 H C 0.569 175.804 175.328 -0.154 0.000 0.967 202 H CA -0.179 55.787 56.048 -0.138 0.000 1.233 202 H CB 0.398 30.229 29.762 0.115 0.000 1.445 202 H HN -0.089 nan 8.280 nan 0.000 0.494 203 K N -0.140 120.139 120.400 -0.200 0.000 3.069 203 K HA -0.247 4.074 4.320 0.001 0.000 0.267 203 K C -0.595 176.008 176.600 0.005 0.000 1.082 203 K CA 0.773 57.002 56.287 -0.098 0.000 0.782 203 K CB -2.946 29.471 32.500 -0.139 0.000 1.230 203 K HN 0.565 nan 8.250 nan 0.000 0.488 204 Y N 0.936 121.474 120.300 0.396 0.000 2.490 204 Y HA -0.004 4.547 4.550 0.001 0.000 0.281 204 Y C 0.683 176.713 175.900 0.216 0.000 1.174 204 Y CA 0.276 58.519 58.100 0.239 0.000 1.295 204 Y CB 0.420 38.947 38.460 0.113 0.000 1.062 204 Y HN 0.151 nan 8.280 nan 0.000 0.522 205 D N -0.507 120.084 120.400 0.317 0.000 2.485 205 D HA 0.107 4.748 4.640 0.001 0.000 0.256 205 D C -0.389 175.976 176.300 0.107 0.000 1.141 205 D CA -0.387 53.744 54.000 0.218 0.000 0.942 205 D CB 0.120 41.047 40.800 0.212 0.000 1.003 205 D HN -0.132 nan 8.370 nan 0.000 0.507 206 T N 0.793 115.353 114.554 0.009 0.000 2.853 206 T HA 0.351 4.701 4.350 0.001 0.000 0.298 206 T C 1.407 176.088 174.700 -0.033 0.000 0.978 206 T CA -0.110 61.899 62.100 -0.152 0.000 1.152 206 T CB 1.582 70.036 68.868 -0.691 0.000 0.914 206 T HN 0.478 nan 8.240 nan 0.000 0.539 207 A N 2.685 125.533 122.820 0.046 0.000 1.911 207 A HA 0.164 4.485 4.320 0.001 0.000 0.212 207 A C 0.971 178.703 177.584 0.247 0.000 1.189 207 A CA 0.483 52.619 52.037 0.164 0.000 0.639 207 A CB 0.206 19.279 19.000 0.121 0.000 0.839 207 A HN 0.722 nan 8.150 nan 0.000 0.449 208 D N -2.169 118.321 120.400 0.151 0.000 2.478 208 D HA 0.324 4.965 4.640 0.001 0.000 0.240 208 D C -0.378 176.031 176.300 0.182 0.000 1.364 208 D CA -0.596 53.551 54.000 0.246 0.000 0.987 208 D CB 0.269 41.180 40.800 0.184 0.000 1.328 208 D HN 0.163 nan 8.370 nan 0.000 0.584 209 Y N 2.036 122.530 120.300 0.324 0.000 2.403 209 Y HA 0.021 4.572 4.550 0.001 0.000 0.291 209 Y C 1.709 177.540 175.900 -0.115 0.000 1.143 209 Y CA 0.852 59.050 58.100 0.163 0.000 1.257 209 Y CB 0.175 38.836 38.460 0.336 0.000 0.984 209 Y HN 0.390 nan 8.280 nan 0.000 0.550 210 L N -0.181 121.072 121.223 0.049 0.000 2.912 210 L HA 0.491 4.832 4.340 0.001 0.000 0.240 210 L C 0.123 176.893 176.870 -0.166 0.000 1.262 210 L CA -0.384 54.254 54.840 -0.336 0.000 1.058 210 L CB -0.196 41.481 42.059 -0.637 0.000 1.383 210 L HN 0.024 nan 8.230 nan 0.000 0.512 211 A N 0.130 123.042 122.820 0.154 0.000 2.517 211 A HA 0.582 4.903 4.320 0.001 0.000 0.297 211 A C -0.536 177.271 177.584 0.371 0.000 1.050 211 A CA -0.577 51.609 52.037 0.248 0.000 0.694 211 A CB 1.481 20.557 19.000 0.128 0.000 1.277 211 A HN -0.035 nan 8.150 nan 0.000 0.400 212 I N 2.484 123.297 120.570 0.404 0.000 2.752 212 I HA -0.017 4.154 4.170 0.001 0.000 0.289 212 I C 0.771 177.006 176.117 0.197 0.000 1.197 212 I CA 0.317 61.788 61.300 0.285 0.000 1.432 212 I CB 0.020 38.165 38.000 0.242 0.000 1.359 212 I HN 0.715 nan 8.210 nan 0.000 0.571 213 D N 9.449 129.939 120.400 0.150 0.000 2.531 213 D HA -0.030 4.611 4.640 0.001 0.000 0.239 213 D C -1.608 174.693 176.300 0.002 0.000 1.144 213 D CA -1.075 52.923 54.000 -0.004 0.000 0.869 213 D CB 1.456 42.110 40.800 -0.243 0.000 1.160 213 D HN 0.241 nan 8.370 nan 0.000 0.484 214 P HA -0.189 nan 4.420 nan 0.000 0.216 214 P C 1.102 178.399 177.300 -0.004 0.000 1.150 214 P CA 1.406 64.512 63.100 0.010 0.000 0.843 214 P CB -0.025 31.665 31.700 -0.016 0.000 0.787 215 Q N -2.186 117.555 119.800 -0.099 0.000 2.444 215 Q HA -0.007 4.334 4.340 0.001 0.000 0.206 215 Q C 0.829 176.897 176.000 0.113 0.000 0.948 215 Q CA 0.677 56.441 55.803 -0.065 0.000 0.946 215 Q CB -0.338 28.300 28.738 -0.167 0.000 1.027 215 Q HN 0.161 nan 8.270 nan 0.000 0.513 216 F N 0.349 120.322 119.950 0.038 0.000 2.622 216 F HA 0.458 4.985 4.527 0.001 0.000 0.288 216 F C 1.432 177.259 175.800 0.046 0.000 1.120 216 F CA 0.495 58.516 58.000 0.036 0.000 1.423 216 F CB 0.780 39.776 39.000 -0.006 0.000 1.127 216 F HN 0.277 nan 8.300 nan 0.000 0.588 217 G N -0.174 108.772 108.800 0.243 0.000 2.347 217 G HA2 0.297 4.258 3.960 0.001 0.000 0.224 217 G HA3 0.297 4.258 3.960 0.001 0.000 0.224 217 G C -2.021 172.978 174.900 0.165 0.000 1.318 217 G CA -0.211 44.994 45.100 0.175 0.000 1.016 217 G HN 0.184 nan 8.290 nan 0.000 0.469 218 D N -1.679 118.825 120.400 0.172 0.000 2.664 218 D HA 0.596 5.237 4.640 0.001 0.000 0.292 218 D C 0.960 177.398 176.300 0.230 0.000 1.214 218 D CA -0.462 53.643 54.000 0.176 0.000 0.932 218 D CB 1.000 41.876 40.800 0.128 0.000 1.420 218 D HN 0.819 nan 8.370 nan 0.000 0.471 219 L N -0.065 121.304 121.223 0.244 0.000 2.046 219 L HA 0.147 4.488 4.340 0.001 0.000 0.208 219 L C -1.130 175.899 176.870 0.266 0.000 1.077 219 L CA 1.785 56.815 54.840 0.317 0.000 0.747 219 L CB -1.357 40.867 42.059 0.276 0.000 0.896 219 L HN 0.382 nan 8.230 nan 0.000 0.432 220 P HA -0.130 nan 4.420 nan 0.000 0.215 220 P C 1.560 178.925 177.300 0.109 0.000 1.153 220 P CA 1.922 65.092 63.100 0.115 0.000 0.853 220 P CB -0.167 31.581 31.700 0.079 0.000 0.788 221 T N -0.937 113.693 114.554 0.127 0.000 2.720 221 T HA -0.184 4.167 4.350 0.001 0.000 0.268 221 T C 1.454 176.223 174.700 0.114 0.000 1.037 221 T CA 1.094 63.256 62.100 0.102 0.000 1.144 221 T CB -1.072 67.862 68.868 0.111 0.000 0.864 221 T HN 0.014 nan 8.240 nan 0.000 0.444 222 F N 2.500 122.473 119.950 0.039 0.000 2.126 222 F HA -0.118 4.410 4.527 0.001 0.000 0.299 222 F C 2.392 178.193 175.800 0.001 0.000 1.096 222 F CA 1.236 59.245 58.000 0.015 0.000 1.255 222 F CB -0.131 38.934 39.000 0.109 0.000 0.997 222 F HN -0.086 nan 8.300 nan 0.000 0.479 223 R N -0.106 120.402 120.500 0.013 0.000 2.115 223 R HA -0.142 4.199 4.340 0.001 0.000 0.230 223 R C 2.266 178.463 176.300 -0.173 0.000 1.111 223 R CA 1.215 57.254 56.100 -0.101 0.000 0.976 223 R CB -0.642 29.673 30.300 0.024 0.000 0.870 223 R HN 0.227 nan 8.270 nan 0.000 0.445 224 R N 1.235 121.668 120.500 -0.112 0.000 2.090 224 R HA -0.076 4.265 4.340 0.001 0.000 0.228 224 R C 2.131 178.334 176.300 -0.161 0.000 1.110 224 R CA 0.881 56.923 56.100 -0.096 0.000 0.973 224 R CB -0.658 29.617 30.300 -0.042 0.000 0.869 224 R HN 0.132 nan 8.270 nan 0.000 0.440 225 L N -0.127 120.957 121.223 -0.232 0.000 1.994 225 L HA -0.085 4.256 4.340 0.001 0.000 0.208 225 L C 1.972 178.604 176.870 -0.397 0.000 1.071 225 L CA 1.702 56.368 54.840 -0.291 0.000 0.745 225 L CB -0.762 41.103 42.059 -0.323 0.000 0.892 225 L HN 0.071 nan 8.230 nan 0.000 0.431 226 V N 0.558 120.105 119.914 -0.611 0.000 2.287 226 V HA -0.321 3.800 4.120 0.001 0.000 0.248 226 V C 2.297 178.041 176.094 -0.583 0.000 1.053 226 V CA 2.146 64.026 62.300 -0.699 0.000 1.027 226 V CB -0.922 30.492 31.823 -0.681 0.000 0.646 226 V HN 0.527 nan 8.190 nan 0.000 0.447 227 D N -0.729 119.479 120.400 -0.321 0.000 2.149 227 D HA -0.120 4.520 4.640 0.001 0.000 0.201 227 D C 2.178 178.412 176.300 -0.110 0.000 0.972 227 D CA 0.723 54.630 54.000 -0.156 0.000 0.835 227 D CB -0.271 40.486 40.800 -0.071 0.000 0.966 227 D HN 0.364 nan 8.370 nan 0.000 0.476 228 E N 0.927 121.049 120.200 -0.130 0.000 2.153 228 E HA -0.093 4.258 4.350 0.001 0.000 0.194 228 E C 1.998 178.553 176.600 -0.075 0.000 0.988 228 E CA 0.686 57.035 56.400 -0.085 0.000 0.811 228 E CB -0.112 29.541 29.700 -0.080 0.000 0.746 228 E HN 0.251 nan 8.360 nan 0.000 0.466 229 A N 0.203 122.951 122.820 -0.121 0.000 1.855 229 A HA -0.135 4.185 4.320 0.001 0.000 0.213 229 A C 1.892 179.467 177.584 -0.016 0.000 1.195 229 A CA 1.304 53.288 52.037 -0.089 0.000 0.610 229 A CB -0.891 18.030 19.000 -0.132 0.000 0.837 229 A HN 0.335 nan 8.150 nan 0.000 0.444 230 H N 0.194 119.197 119.070 -0.112 0.000 2.357 230 H HA -0.193 4.364 4.556 0.001 0.000 0.296 230 H C 2.166 177.434 175.328 -0.100 0.000 1.108 230 H CA 1.488 57.464 56.048 -0.119 0.000 1.273 230 H CB -0.040 29.650 29.762 -0.120 0.000 1.367 230 H HN 0.590 nan 8.280 nan 0.000 0.498 231 R N 1.070 121.599 120.500 0.048 0.000 2.339 231 R HA 0.000 4.341 4.340 0.001 0.000 0.199 231 R C 1.021 177.309 176.300 -0.020 0.000 1.018 231 R CA 0.772 56.871 56.100 -0.002 0.000 1.036 231 R CB 0.033 30.326 30.300 -0.012 0.000 0.899 231 R HN 0.245 nan 8.270 nan 0.000 0.473 232 R N 0.592 121.080 120.500 -0.019 0.000 2.586 232 R HA 0.158 4.499 4.340 0.001 0.000 0.336 232 R C 0.086 176.358 176.300 -0.045 0.000 1.060 232 R CA 0.281 56.362 56.100 -0.032 0.000 1.079 232 R CB 1.209 31.492 30.300 -0.028 0.000 1.317 232 R HN 0.436 nan 8.270 nan 0.000 0.568 233 G N 1.806 110.573 108.800 -0.055 0.000 2.305 233 G HA2 -0.277 3.684 3.960 0.001 0.000 0.287 233 G HA3 -0.277 3.684 3.960 0.001 0.000 0.287 233 G C -0.037 174.815 174.900 -0.079 0.000 1.036 233 G CA 0.225 45.274 45.100 -0.084 0.000 0.887 233 G HN 0.311 nan 8.290 nan 0.000 0.505 234 I N -0.069 120.473 120.570 -0.046 0.000 2.410 234 I HA 0.341 4.511 4.170 0.001 0.000 0.286 234 I C 0.656 176.764 176.117 -0.015 0.000 1.009 234 I CA -0.860 60.412 61.300 -0.047 0.000 1.111 234 I CB 1.495 39.467 38.000 -0.045 0.000 1.262 234 I HN -0.034 nan 8.210 nan 0.000 0.443 235 K N 5.337 125.676 120.400 -0.103 0.000 2.118 235 K HA 0.539 4.859 4.320 0.001 0.000 0.240 235 K C -0.656 175.936 176.600 -0.013 0.000 1.035 235 K CA -0.639 55.584 56.287 -0.106 0.000 0.899 235 K CB 1.060 33.272 32.500 -0.479 0.000 1.085 235 K HN 0.336 nan 8.250 nan 0.000 0.498 236 I N 2.556 123.147 120.570 0.036 0.000 2.439 236 I HA 0.282 4.453 4.170 0.001 0.000 0.285 236 I C -0.609 175.602 176.117 0.156 0.000 1.021 236 I CA -0.710 60.662 61.300 0.120 0.000 1.091 236 I CB 1.247 39.281 38.000 0.058 0.000 1.242 236 I HN 0.381 nan 8.210 nan 0.000 0.439 237 I N 6.704 127.414 120.570 0.234 0.000 2.404 237 I HA 0.501 4.672 4.170 0.001 0.000 0.293 237 I C 0.114 176.378 176.117 0.244 0.000 0.992 237 I CA -0.619 60.818 61.300 0.228 0.000 1.149 237 I CB 1.868 40.107 38.000 0.398 0.000 1.315 237 I HN 0.298 nan 8.210 nan 0.000 0.446 238 L N 3.873 125.111 121.223 0.026 0.000 2.313 238 L HA 0.508 4.849 4.340 0.001 0.000 0.268 238 L C -0.163 176.823 176.870 0.193 0.000 1.010 238 L CA -0.879 53.982 54.840 0.035 0.000 0.814 238 L CB 1.859 43.775 42.059 -0.239 0.000 1.304 238 L HN 0.446 nan 8.230 nan 0.000 0.441 239 D N 1.311 121.789 120.400 0.130 0.000 2.329 239 D HA 0.430 5.071 4.640 0.001 0.000 0.232 239 D C -0.717 175.662 176.300 0.131 0.000 1.088 239 D CA -0.175 53.947 54.000 0.204 0.000 0.835 239 D CB 1.804 42.702 40.800 0.163 0.000 1.078 239 D HN 0.551 nan 8.370 nan 0.000 0.495 240 A N 3.923 126.814 122.820 0.119 0.000 2.252 240 A HA 0.430 4.750 4.320 0.001 0.000 0.309 240 A C -0.214 177.187 177.584 -0.305 0.000 1.285 240 A CA -0.634 51.265 52.037 -0.231 0.000 0.900 240 A CB 0.734 19.206 19.000 -0.880 0.000 1.157 240 A HN 0.388 nan 8.150 nan 0.000 0.536 241 V N 4.593 124.503 119.914 -0.006 0.000 2.247 241 V HA 0.178 4.299 4.120 0.001 0.000 0.262 241 V C -0.104 176.155 176.094 0.275 0.000 1.096 241 V CA 0.095 62.462 62.300 0.112 0.000 0.895 241 V CB -0.685 31.256 31.823 0.198 0.000 1.141 241 V HN 0.861 nan 8.190 nan 0.000 0.478 242 F N 1.802 121.718 119.950 -0.056 0.000 2.731 242 F HA 0.172 4.700 4.527 0.001 0.000 0.298 242 F C 1.955 177.579 175.800 -0.294 0.000 1.106 242 F CA -0.292 57.585 58.000 -0.205 0.000 1.329 242 F CB -0.631 38.179 39.000 -0.316 0.000 1.100 242 F HN 0.474 nan 8.300 nan 0.000 0.592 243 N N 0.408 119.049 118.700 -0.098 0.000 2.244 243 N HA -0.139 4.602 4.740 0.001 0.000 0.183 243 N C -0.148 175.364 175.510 0.003 0.000 1.016 243 N CA 1.130 54.127 53.050 -0.087 0.000 0.866 243 N CB -0.071 38.431 38.487 0.025 0.000 0.980 243 N HN 0.415 nan 8.380 nan 0.000 0.430 244 H N -3.314 115.845 119.070 0.149 0.000 3.012 244 H HA 0.755 5.312 4.556 0.001 0.000 0.367 244 H C -1.098 174.352 175.328 0.203 0.000 1.211 244 H CA -0.874 55.281 56.048 0.179 0.000 1.139 244 H CB 1.020 30.890 29.762 0.180 0.000 1.838 244 H HN 0.045 nan 8.280 nan 0.000 0.550 245 A N 1.312 124.329 122.820 0.329 0.000 2.247 245 A HA 0.762 5.083 4.320 0.001 0.000 0.313 245 A C 0.693 178.398 177.584 0.201 0.000 1.109 245 A CA -0.365 51.805 52.037 0.221 0.000 0.890 245 A CB 0.145 19.252 19.000 0.179 0.000 1.239 245 A HN 1.054 nan 8.150 nan 0.000 0.506 246 G N -0.721 108.157 108.800 0.129 0.000 2.476 246 G HA2 0.398 4.359 3.960 0.001 0.000 0.286 246 G HA3 0.398 4.359 3.960 0.001 0.000 0.286 246 G C 0.260 175.203 174.900 0.072 0.000 1.177 246 G CA 0.368 45.537 45.100 0.114 0.000 0.870 246 G HN 0.762 nan 8.290 nan 0.000 0.528 247 D N 0.015 120.434 120.400 0.032 0.000 2.411 247 D HA -0.140 4.501 4.640 0.001 0.000 0.226 247 D C 1.207 177.708 176.300 0.334 0.000 0.988 247 D CA 0.768 54.841 54.000 0.121 0.000 0.938 247 D CB 0.189 41.127 40.800 0.230 0.000 0.883 247 D HN 0.451 nan 8.370 nan 0.000 0.525 248 Q N -0.519 119.429 119.800 0.246 0.000 2.247 248 Q HA 0.091 4.432 4.340 0.001 0.000 0.204 248 Q C 0.064 176.234 176.000 0.282 0.000 0.872 248 Q CA -0.592 55.346 55.803 0.224 0.000 0.951 248 Q CB 0.048 28.885 28.738 0.164 0.000 1.099 248 Q HN 0.271 nan 8.270 nan 0.000 0.501 249 F N 2.456 122.504 119.950 0.164 0.000 2.529 249 F HA -0.020 4.507 4.527 0.001 0.000 0.365 249 F C 1.271 177.143 175.800 0.120 0.000 1.102 249 F CA -1.428 56.687 58.000 0.192 0.000 1.271 249 F CB 0.353 39.498 39.000 0.241 0.000 1.120 249 F HN 0.082 nan 8.300 nan 0.000 0.579 250 F N 4.157 123.827 119.950 -0.466 0.000 2.063 250 F HA -0.227 4.301 4.527 0.001 0.000 0.298 250 F C 1.865 177.286 175.800 -0.632 0.000 1.105 250 F CA 1.748 59.449 58.000 -0.499 0.000 1.215 250 F CB -1.436 37.273 39.000 -0.484 0.000 0.972 250 F HN 0.421 nan 8.300 nan 0.000 0.483 251 A N -0.326 121.094 122.820 -2.332 0.000 2.024 251 A HA -0.152 4.169 4.320 0.001 0.000 0.220 251 A C 2.099 179.393 177.584 -0.483 0.000 1.164 251 A CA 1.567 52.527 52.037 -1.795 0.000 0.643 251 A CB -1.460 16.269 19.000 -2.119 0.000 0.806 251 A HN 0.623 nan 8.150 nan 0.000 0.451 252 F N -0.222 119.471 119.950 -0.427 0.000 2.416 252 F HA 0.132 4.660 4.527 0.001 0.000 0.296 252 F C 2.205 177.801 175.800 -0.340 0.000 1.099 252 F CA 0.750 58.454 58.000 -0.492 0.000 1.427 252 F CB -0.108 38.596 39.000 -0.492 0.000 1.079 252 F HN 0.086 nan 8.300 nan 0.000 0.536 253 R N 0.116 120.474 120.500 -0.237 0.000 2.073 253 R HA -0.151 4.190 4.340 0.001 0.000 0.229 253 R C 1.890 178.039 176.300 -0.251 0.000 1.120 253 R CA 1.695 57.660 56.100 -0.225 0.000 0.967 253 R CB -0.595 29.652 30.300 -0.089 0.000 0.862 253 R HN 0.267 nan 8.270 nan 0.000 0.436 254 D N -0.358 119.906 120.400 -0.226 0.000 2.133 254 D HA -0.179 4.462 4.640 0.001 0.000 0.192 254 D C 1.684 177.883 176.300 -0.169 0.000 1.001 254 D CA 1.492 55.408 54.000 -0.141 0.000 0.844 254 D CB 0.163 40.934 40.800 -0.048 0.000 0.944 254 D HN -0.041 nan 8.370 nan 0.000 0.447 255 V N 0.238 119.990 119.914 -0.269 0.000 2.307 255 V HA -0.211 3.910 4.120 0.001 0.000 0.245 255 V C 2.537 178.420 176.094 -0.352 0.000 1.045 255 V CA 1.297 63.433 62.300 -0.274 0.000 1.024 255 V CB -0.521 31.081 31.823 -0.368 0.000 0.651 255 V HN 0.331 nan 8.190 nan 0.000 0.449 256 L N -0.279 120.587 121.223 -0.595 0.000 2.189 256 L HA -0.253 4.088 4.340 0.001 0.000 0.214 256 L C 2.526 179.274 176.870 -0.204 0.000 1.097 256 L CA 1.672 56.260 54.840 -0.420 0.000 0.764 256 L CB -0.426 41.373 42.059 -0.433 0.000 0.900 256 L HN 0.406 nan 8.230 nan 0.000 0.436 257 Q N 0.567 120.263 119.800 -0.174 0.000 2.084 257 Q HA -0.064 4.277 4.340 0.001 0.000 0.194 257 Q C 1.701 177.651 176.000 -0.082 0.000 0.969 257 Q CA 1.410 57.150 55.803 -0.105 0.000 0.829 257 Q CB 0.153 28.838 28.738 -0.087 0.000 0.904 257 Q HN 0.228 nan 8.270 nan 0.000 0.464 258 K N 0.298 120.648 120.400 -0.084 0.000 2.476 258 K HA 0.206 4.527 4.320 0.001 0.000 0.196 258 K C 0.954 177.501 176.600 -0.089 0.000 1.025 258 K CA 0.294 56.535 56.287 -0.077 0.000 1.138 258 K CB 0.056 32.509 32.500 -0.077 0.000 0.860 258 K HN 0.411 nan 8.250 nan 0.000 0.515 259 G N 3.504 112.277 108.800 -0.045 0.000 2.698 259 G HA2 -0.426 3.535 3.960 0.001 0.000 0.346 259 G HA3 -0.426 3.535 3.960 0.001 0.000 0.346 259 G C 0.712 175.439 174.900 -0.287 0.000 1.287 259 G CA 1.119 46.213 45.100 -0.010 0.000 0.990 259 G HN 0.633 nan 8.290 nan 0.000 0.545 260 E N 0.497 120.266 120.200 -0.718 0.000 2.465 260 E HA 0.159 4.509 4.350 0.001 0.000 0.191 260 E C 1.794 178.185 176.600 -0.348 0.000 1.053 260 E CA 0.509 56.448 56.400 -0.768 0.000 0.869 260 E CB 0.087 29.094 29.700 -1.154 0.000 0.977 260 E HN 0.484 nan 8.360 nan 0.000 0.483 261 Q N 0.765 120.417 119.800 -0.246 0.000 2.369 261 Q HA 0.079 4.420 4.340 0.001 0.000 0.206 261 Q C 0.484 176.401 176.000 -0.139 0.000 0.963 261 Q CA 0.375 56.081 55.803 -0.162 0.000 0.894 261 Q CB 0.002 28.665 28.738 -0.125 0.000 0.965 261 Q HN 0.121 nan 8.270 nan 0.000 0.475 262 S N 1.718 117.345 115.700 -0.122 0.000 2.544 262 S HA 0.038 4.509 4.470 0.001 0.000 0.290 262 S C 1.248 175.743 174.600 -0.175 0.000 1.276 262 S CA -0.212 57.929 58.200 -0.098 0.000 1.075 262 S CB 0.805 63.997 63.200 -0.013 0.000 0.849 262 S HN 0.175 nan 8.310 nan 0.000 0.494 263 R N 1.891 122.195 120.500 -0.327 0.000 2.249 263 R HA -0.105 4.236 4.340 0.001 0.000 0.230 263 R C 0.152 176.011 176.300 -0.735 0.000 1.121 263 R CA 1.343 57.116 56.100 -0.545 0.000 0.997 263 R CB -0.182 29.652 30.300 -0.777 0.000 0.867 263 R HN 0.727 nan 8.270 nan 0.000 0.465 264 Y N 0.037 120.171 120.300 -0.276 0.000 2.607 264 Y HA 0.104 4.655 4.550 0.001 0.000 0.266 264 Y C 1.641 177.556 175.900 0.026 0.000 1.178 264 Y CA -0.383 57.459 58.100 -0.430 0.000 1.226 264 Y CB 0.265 38.336 38.460 -0.647 0.000 1.144 264 Y HN 0.013 nan 8.280 nan 0.000 0.528 265 K N -0.601 119.890 120.400 0.151 0.000 2.057 265 K HA -0.116 4.205 4.320 0.001 0.000 0.206 265 K C 0.395 177.190 176.600 0.325 0.000 1.050 265 K CA 1.784 58.252 56.287 0.303 0.000 0.935 265 K CB -0.136 32.530 32.500 0.276 0.000 0.715 265 K HN 0.106 nan 8.250 nan 0.000 0.439 266 D N -0.187 120.351 120.400 0.229 0.000 2.338 266 D HA -0.047 4.594 4.640 0.001 0.000 0.239 266 D C 0.477 176.857 176.300 0.134 0.000 1.095 266 D CA 0.338 54.427 54.000 0.149 0.000 0.888 266 D CB -0.075 40.776 40.800 0.084 0.000 0.899 266 D HN 0.358 nan 8.370 nan 0.000 0.525 267 W N -0.064 121.139 121.300 -0.162 0.000 2.863 267 W HA 0.165 4.826 4.660 0.002 0.000 0.258 267 W C 0.477 176.517 176.519 -0.799 0.000 1.298 267 W CA -0.170 56.872 57.345 -0.505 0.000 1.451 267 W CB -0.066 29.001 29.460 -0.655 0.000 1.107 267 W HN -0.169 nan 8.180 nan 0.000 0.641 268 F N -2.284 117.785 119.950 0.198 0.000 2.782 268 F HA 0.463 4.991 4.527 0.001 0.000 0.366 268 F C -0.615 175.136 175.800 -0.081 0.000 1.171 268 F CA -1.546 56.554 58.000 0.166 0.000 1.064 268 F CB 0.243 39.434 39.000 0.318 0.000 1.449 268 F HN -0.544 nan 8.300 nan 0.000 0.520 269 F N 1.748 121.939 119.950 0.401 0.000 2.371 269 F HA 0.444 4.972 4.527 0.001 0.000 0.343 269 F C -0.618 175.321 175.800 0.231 0.000 1.150 269 F CA -0.330 57.817 58.000 0.246 0.000 1.220 269 F CB 0.318 39.434 39.000 0.194 0.000 1.475 269 F HN 0.028 nan 8.300 nan 0.000 0.521 270 I N 2.115 122.823 120.570 0.231 0.000 2.322 270 I HA 0.040 4.211 4.170 0.001 0.000 0.292 270 I C 1.657 177.771 176.117 -0.005 0.000 1.060 270 I CA 0.247 61.591 61.300 0.073 0.000 1.309 270 I CB 0.856 38.751 38.000 -0.175 0.000 1.415 270 I HN 0.530 nan 8.210 nan 0.000 0.492 271 E N 5.245 125.461 120.200 0.026 0.000 2.150 271 E HA -0.142 4.208 4.350 0.001 0.000 0.193 271 E C -0.608 175.964 176.600 -0.046 0.000 0.985 271 E CA 1.134 57.543 56.400 0.016 0.000 0.814 271 E CB 0.222 29.947 29.700 0.041 0.000 0.752 271 E HN 0.785 nan 8.360 nan 0.000 0.466 272 D N -1.914 118.380 120.400 -0.176 0.000 2.783 272 D HA 0.206 4.847 4.640 0.001 0.000 0.253 272 D C -1.273 174.818 176.300 -0.349 0.000 1.206 272 D CA -0.661 53.243 54.000 -0.159 0.000 0.740 272 D CB -0.326 40.477 40.800 0.006 0.000 1.313 272 D HN -0.034 nan 8.370 nan 0.000 0.427 273 F N 0.318 120.293 119.950 0.042 0.000 2.397 273 F HA 0.589 5.117 4.527 0.001 0.000 0.331 273 F C -1.226 174.584 175.800 0.016 0.000 1.090 273 F CA -1.344 56.669 58.000 0.021 0.000 1.065 273 F CB 0.455 39.457 39.000 0.004 0.000 1.184 273 F HN 0.172 nan 8.300 nan 0.000 0.499 274 P HA 0.173 nan 4.420 nan 0.000 0.271 274 P C -1.026 176.302 177.300 0.046 0.000 1.218 274 P CA -0.355 62.835 63.100 0.151 0.000 0.780 274 P CB 0.912 32.661 31.700 0.081 0.000 0.901 275 V N 0.791 120.701 119.914 -0.006 0.000 2.387 275 V HA 0.337 4.458 4.120 0.001 0.000 0.260 275 V C 1.164 177.258 176.094 0.001 0.000 1.054 275 V CA 0.470 62.723 62.300 -0.077 0.000 0.967 275 V CB -0.132 31.521 31.823 -0.282 0.000 1.036 275 V HN 0.907 nan 8.190 nan 0.000 0.481 276 S N 1.941 117.725 115.700 0.141 0.000 1.707 276 S HA -0.008 4.463 4.470 0.001 0.000 0.180 276 S C 0.657 175.374 174.600 0.195 0.000 0.716 276 S CA -0.396 57.926 58.200 0.203 0.000 1.700 276 S CB -0.188 63.060 63.200 0.081 0.000 1.074 276 S HN 0.657 nan 8.310 nan 0.000 0.418 277 K N 3.673 124.143 120.400 0.117 0.000 2.397 277 K HA -0.048 4.273 4.320 0.001 0.000 0.263 277 K C 1.023 177.658 176.600 0.057 0.000 1.143 277 K CA 1.141 57.466 56.287 0.064 0.000 1.207 277 K CB -0.004 32.516 32.500 0.034 0.000 0.804 277 K HN 0.571 nan 8.250 nan 0.000 0.494 278 T N 2.323 116.909 114.554 0.055 0.000 2.453 278 T HA -0.154 4.196 4.350 0.001 0.000 0.243 278 T C 1.779 176.480 174.700 0.002 0.000 1.254 278 T CA 1.742 63.870 62.100 0.046 0.000 1.327 278 T CB -0.385 68.511 68.868 0.047 0.000 0.885 278 T HN 0.615 nan 8.240 nan 0.000 0.391 279 S N 1.481 117.180 115.700 -0.001 0.000 2.423 279 S HA -0.155 4.316 4.470 0.001 0.000 0.238 279 S C 1.334 175.911 174.600 -0.038 0.000 1.028 279 S CA 1.318 59.506 58.200 -0.020 0.000 1.000 279 S CB -0.343 62.850 63.200 -0.011 0.000 0.797 279 S HN 0.544 nan 8.310 nan 0.000 0.487 280 R N 2.752 123.233 120.500 -0.032 0.000 2.396 280 R HA 0.264 4.604 4.340 0.001 0.000 0.292 280 R C -0.280 175.983 176.300 -0.062 0.000 1.240 280 R CA -0.277 55.793 56.100 -0.049 0.000 1.270 280 R CB -0.167 30.113 30.300 -0.034 0.000 1.108 280 R HN 0.102 nan 8.270 nan 0.000 0.573 281 T N 0.595 115.064 114.554 -0.141 0.000 2.940 281 T HA 0.050 4.401 4.350 0.001 0.000 0.309 281 T C 0.544 175.123 174.700 -0.202 0.000 1.056 281 T CA -0.422 61.515 62.100 -0.272 0.000 1.137 281 T CB 0.582 69.025 68.868 -0.707 0.000 0.976 281 T HN 0.732 nan 8.240 nan 0.000 0.547 282 N N 1.386 120.049 118.700 -0.062 0.000 2.401 282 N HA 0.135 4.876 4.740 0.001 0.000 0.264 282 N C -0.778 174.806 175.510 0.123 0.000 1.238 282 N CA -0.755 52.307 53.050 0.019 0.000 0.889 282 N CB -0.076 38.433 38.487 0.037 0.000 1.196 282 N HN 0.911 nan 8.380 nan 0.000 0.511 283 Y N -2.274 118.047 120.300 0.035 0.000 2.571 283 Y HA 0.555 5.106 4.550 0.001 0.000 0.341 283 Y C -0.632 175.325 175.900 0.094 0.000 1.076 283 Y CA -1.382 56.773 58.100 0.091 0.000 1.029 283 Y CB 0.949 39.494 38.460 0.142 0.000 1.308 283 Y HN -0.079 nan 8.280 nan 0.000 0.461 284 E N 1.669 122.019 120.200 0.249 0.000 2.301 284 E HA 0.493 4.844 4.350 0.001 0.000 0.275 284 E C -0.831 175.845 176.600 0.127 0.000 1.030 284 E CA -0.398 56.057 56.400 0.093 0.000 0.852 284 E CB 1.215 30.948 29.700 0.055 0.000 1.060 284 E HN 0.876 nan 8.360 nan 0.000 0.401 285 T N 1.179 115.728 114.554 -0.009 0.000 2.916 285 T HA 0.332 4.683 4.350 0.001 0.000 0.292 285 T C -0.181 174.513 174.700 -0.010 0.000 1.064 285 T CA -0.872 61.240 62.100 0.019 0.000 1.011 285 T CB 0.619 69.438 68.868 -0.083 0.000 1.152 285 T HN 0.450 nan 8.240 nan 0.000 0.510 286 F N 2.815 122.669 119.950 -0.159 0.000 2.646 286 F HA 0.302 4.829 4.527 0.001 0.000 0.363 286 F C 1.248 176.937 175.800 -0.186 0.000 1.143 286 F CA 1.197 59.065 58.000 -0.219 0.000 1.356 286 F CB -0.435 38.225 39.000 -0.566 0.000 1.055 286 F HN 1.398 nan 8.300 nan 0.000 0.606 287 A N 2.492 124.555 122.820 -1.261 0.000 5.483 287 A HA -0.249 4.072 4.320 0.001 0.000 0.309 287 A C -0.469 176.819 177.584 -0.492 0.000 1.898 287 A CA 1.024 52.434 52.037 -1.046 0.000 0.716 287 A CB -2.009 16.228 19.000 -1.272 0.000 1.309 287 A HN 1.415 nan 8.150 nan 0.000 0.380 288 V N 0.559 120.252 119.914 -0.369 0.000 2.444 288 V HA 0.600 4.721 4.120 0.001 0.000 0.294 288 V C -0.310 175.672 176.094 -0.187 0.000 1.022 288 V CA 0.277 62.434 62.300 -0.238 0.000 0.850 288 V CB 1.394 33.099 31.823 -0.198 0.000 0.992 288 V HN 1.075 nan 8.190 nan 0.000 0.426 289 Q N 2.358 122.052 119.800 -0.177 0.000 2.455 289 Q HA -0.138 4.203 4.340 0.001 0.000 0.343 289 Q C -0.616 175.308 176.000 -0.127 0.000 1.458 289 Q CA 0.363 56.069 55.803 -0.161 0.000 0.923 289 Q CB -0.987 27.677 28.738 -0.122 0.000 1.149 289 Q HN 0.654 nan 8.270 nan 0.000 0.357 290 V N 1.252 121.094 119.914 -0.120 0.000 2.320 290 V HA 0.137 4.258 4.120 0.001 0.000 0.268 290 V C -1.594 174.499 176.094 -0.002 0.000 1.021 290 V CA -1.047 61.233 62.300 -0.035 0.000 0.813 290 V CB 1.682 33.525 31.823 0.033 0.000 1.054 290 V HN 0.119 nan 8.190 nan 0.000 0.444 291 P HA -0.084 nan 4.420 nan 0.000 0.220 291 P C 1.508 178.951 177.300 0.237 0.000 1.148 291 P CA 1.233 64.421 63.100 0.146 0.000 0.803 291 P CB 0.381 32.175 31.700 0.157 0.000 0.782 292 A N -1.350 121.558 122.820 0.148 0.000 2.209 292 A HA 0.019 4.340 4.320 0.001 0.000 0.212 292 A C 1.291 178.927 177.584 0.086 0.000 1.158 292 A CA 0.930 53.043 52.037 0.128 0.000 0.742 292 A CB -0.880 18.205 19.000 0.142 0.000 0.790 292 A HN 0.149 nan 8.150 nan 0.000 0.472 293 M N 1.361 121.006 119.600 0.075 0.000 2.944 293 M HA 0.224 4.705 4.480 0.001 0.000 0.235 293 M C -2.888 173.467 176.300 0.092 0.000 1.188 293 M CA -1.681 53.641 55.300 0.037 0.000 0.688 293 M CB 1.290 33.794 32.600 -0.160 0.000 1.406 293 M HN -0.033 nan 8.290 nan 0.000 0.479 294 P HA 0.026 nan 4.420 nan 0.000 0.268 294 P C -0.657 176.853 177.300 0.349 0.000 1.205 294 P CA 0.108 63.312 63.100 0.174 0.000 0.771 294 P CB 0.892 32.355 31.700 -0.394 0.000 0.858 295 K N 3.457 124.104 120.400 0.413 0.000 2.412 295 K HA 0.156 4.477 4.320 0.001 0.000 0.281 295 K C -0.046 176.874 176.600 0.532 0.000 1.027 295 K CA -0.379 56.157 56.287 0.415 0.000 0.989 295 K CB 0.046 32.677 32.500 0.218 0.000 0.935 295 K HN 0.468 nan 8.250 nan 0.000 0.475 296 L N 4.493 125.919 121.223 0.339 0.000 2.380 296 L HA 0.209 4.549 4.340 0.001 0.000 0.273 296 L C 1.027 177.981 176.870 0.141 0.000 1.138 296 L CA -0.116 54.796 54.840 0.120 0.000 0.832 296 L CB 0.724 42.758 42.059 -0.043 0.000 1.124 296 L HN 0.559 nan 8.230 nan 0.000 0.454 297 R N 1.702 122.179 120.500 -0.038 0.000 3.268 297 R HA 0.025 4.365 4.340 0.001 0.000 0.217 297 R C 1.211 177.405 176.300 -0.177 0.000 1.568 297 R CA 0.086 56.158 56.100 -0.048 0.000 1.322 297 R CB 0.078 30.148 30.300 -0.385 0.000 1.280 297 R HN 0.866 nan 8.270 nan 0.000 0.667 298 T N -0.975 113.491 114.554 -0.147 0.000 2.778 298 T HA -0.196 4.155 4.350 0.001 0.000 0.269 298 T C 1.223 175.858 174.700 -0.109 0.000 1.050 298 T CA 1.366 63.329 62.100 -0.229 0.000 1.137 298 T CB -0.055 68.530 68.868 -0.470 0.000 0.860 298 T HN 0.565 nan 8.240 nan 0.000 0.468 299 E N 1.429 121.594 120.200 -0.058 0.000 2.219 299 E HA -0.094 4.257 4.350 0.001 0.000 0.198 299 E C 0.939 177.475 176.600 -0.106 0.000 0.998 299 E CA 0.423 56.799 56.400 -0.040 0.000 0.818 299 E CB -0.217 29.491 29.700 0.014 0.000 0.741 299 E HN 0.457 nan 8.360 nan 0.000 0.477 300 N N 1.311 119.903 118.700 -0.181 0.000 2.438 300 N HA -0.035 4.706 4.740 0.001 0.000 0.267 300 N C -1.757 173.585 175.510 -0.280 0.000 1.222 300 N CA -1.430 51.477 53.050 -0.238 0.000 0.930 300 N CB 1.000 39.297 38.487 -0.316 0.000 1.083 300 N HN -0.127 nan 8.380 nan 0.000 0.476 301 P HA -0.153 nan 4.420 nan 0.000 0.218 301 P C 0.605 177.754 177.300 -0.252 0.000 1.148 301 P CA 1.357 64.330 63.100 -0.212 0.000 0.822 301 P CB 0.432 32.056 31.700 -0.126 0.000 0.784 302 E N -0.293 119.768 120.200 -0.232 0.000 2.077 302 E HA -0.107 4.244 4.350 0.001 0.000 0.193 302 E C 2.098 178.322 176.600 -0.626 0.000 0.989 302 E CA 1.054 57.321 56.400 -0.223 0.000 0.800 302 E CB -0.553 29.182 29.700 0.059 0.000 0.746 302 E HN 0.050 nan 8.360 nan 0.000 0.452 303 V N 1.630 120.935 119.914 -1.014 0.000 2.407 303 V HA -0.271 3.850 4.120 0.001 0.000 0.248 303 V C 2.359 178.106 176.094 -0.580 0.000 1.055 303 V CA 1.997 63.623 62.300 -1.124 0.000 1.049 303 V CB -0.414 30.852 31.823 -0.927 0.000 0.662 303 V HN 0.232 nan 8.190 nan 0.000 0.455 304 K N 0.514 120.620 120.400 -0.490 0.000 2.031 304 K HA -0.221 4.099 4.320 0.001 0.000 0.205 304 K C 2.154 178.325 176.600 -0.714 0.000 1.049 304 K CA 1.707 57.645 56.287 -0.583 0.000 0.939 304 K CB -0.178 31.931 32.500 -0.653 0.000 0.717 304 K HN 0.320 nan 8.250 nan 0.000 0.438 305 E N 0.138 120.067 120.200 -0.453 0.000 2.118 305 E HA -0.232 4.119 4.350 0.001 0.000 0.195 305 E C 1.747 178.309 176.600 -0.062 0.000 0.992 305 E CA 1.401 57.666 56.400 -0.226 0.000 0.804 305 E CB -0.453 29.196 29.700 -0.085 0.000 0.741 305 E HN 0.511 nan 8.360 nan 0.000 0.458 306 Y N 0.375 120.572 120.300 -0.171 0.000 2.133 306 Y HA -0.115 4.436 4.550 0.001 0.000 0.287 306 Y C 1.939 177.783 175.900 -0.094 0.000 1.134 306 Y CA 1.930 60.014 58.100 -0.027 0.000 1.133 306 Y CB -0.213 38.301 38.460 0.090 0.000 0.987 306 Y HN 0.038 nan 8.280 nan 0.000 0.502 307 L N -1.128 120.023 121.223 -0.120 0.000 2.083 307 L HA -0.221 4.120 4.340 0.001 0.000 0.209 307 L C 2.396 179.181 176.870 -0.141 0.000 1.083 307 L CA 1.322 55.899 54.840 -0.438 0.000 0.752 307 L CB -0.856 40.658 42.059 -0.908 0.000 0.899 307 L HN 0.256 nan 8.230 nan 0.000 0.433 308 F N 0.444 120.245 119.950 -0.248 0.000 2.120 308 F HA -0.297 4.231 4.527 0.001 0.000 0.300 308 F C 2.425 178.186 175.800 -0.064 0.000 1.095 308 F CA 0.672 58.604 58.000 -0.113 0.000 1.249 308 F CB -0.259 38.660 39.000 -0.136 0.000 0.995 308 F HN 0.199 nan 8.300 nan 0.000 0.480 309 D N 0.200 120.632 120.400 0.054 0.000 2.117 309 D HA -0.137 4.504 4.640 0.001 0.000 0.197 309 D C 2.362 178.658 176.300 -0.006 0.000 0.987 309 D CA 1.015 55.001 54.000 -0.023 0.000 0.829 309 D CB -0.459 40.257 40.800 -0.139 0.000 0.961 309 D HN 0.053 nan 8.370 nan 0.000 0.460 310 V N 1.477 121.349 119.914 -0.071 0.000 2.324 310 V HA -0.276 3.845 4.120 0.001 0.000 0.250 310 V C 2.524 178.917 176.094 0.499 0.000 1.060 310 V CA 1.969 64.362 62.300 0.155 0.000 1.042 310 V CB -0.783 31.169 31.823 0.215 0.000 0.650 310 V HN 0.195 nan 8.190 nan 0.000 0.450 311 A N -0.345 122.724 122.820 0.415 0.000 1.968 311 A HA -0.139 4.182 4.320 0.001 0.000 0.217 311 A C 2.377 180.300 177.584 0.565 0.000 1.169 311 A CA 1.283 53.629 52.037 0.515 0.000 0.638 311 A CB -0.394 18.762 19.000 0.260 0.000 0.812 311 A HN 0.515 nan 8.150 nan 0.000 0.446 312 R N -1.877 118.817 120.500 0.323 0.000 2.092 312 R HA -0.051 4.290 4.340 0.001 0.000 0.231 312 R C 1.976 178.411 176.300 0.225 0.000 1.119 312 R CA 1.384 57.622 56.100 0.230 0.000 0.970 312 R CB -0.484 29.892 30.300 0.127 0.000 0.864 312 R HN 0.605 nan 8.270 nan 0.000 0.440 313 F N 0.397 120.373 119.950 0.043 0.000 2.031 313 F HA -0.228 4.300 4.527 0.001 0.000 0.295 313 F C 1.626 177.339 175.800 -0.145 0.000 1.133 313 F CA 1.571 59.464 58.000 -0.179 0.000 1.188 313 F CB -0.382 38.354 39.000 -0.441 0.000 0.974 313 F HN -0.042 nan 8.300 nan 0.000 0.473 314 W N 0.150 121.732 121.300 0.470 0.000 2.421 314 W HA -0.136 4.525 4.660 0.001 0.000 0.270 314 W C 2.285 178.952 176.519 0.246 0.000 1.233 314 W CA 0.680 58.247 57.345 0.371 0.000 1.226 314 W CB -0.476 29.359 29.460 0.625 0.000 1.121 314 W HN 0.057 nan 8.180 nan 0.000 0.579 315 M N -0.365 119.511 119.600 0.460 0.000 2.419 315 M HA -0.080 4.401 4.480 0.001 0.000 0.264 315 M C 1.333 177.723 176.300 0.150 0.000 1.082 315 M CA 1.284 56.774 55.300 0.316 0.000 1.119 315 M CB -0.266 32.548 32.600 0.358 0.000 1.398 315 M HN 0.039 nan 8.290 nan 0.000 0.453 316 E N 0.133 120.357 120.200 0.039 0.000 2.427 316 E HA -0.116 4.235 4.350 0.001 0.000 0.196 316 E C 1.506 178.072 176.600 -0.056 0.000 1.028 316 E CA 0.459 56.828 56.400 -0.051 0.000 0.864 316 E CB 0.190 29.794 29.700 -0.160 0.000 0.813 316 E HN 0.429 nan 8.360 nan 0.000 0.514 317 Q N -0.659 119.144 119.800 0.005 0.000 2.444 317 Q HA 0.067 4.408 4.340 0.001 0.000 0.206 317 Q C 1.203 177.278 176.000 0.125 0.000 0.948 317 Q CA 0.769 56.634 55.803 0.103 0.000 0.946 317 Q CB 0.848 29.798 28.738 0.354 0.000 1.027 317 Q HN 0.380 nan 8.270 nan 0.000 0.513 318 G N 1.807 110.682 108.800 0.125 0.000 2.141 318 G HA2 -0.282 3.679 3.960 0.001 0.000 0.242 318 G HA3 -0.282 3.679 3.960 0.001 0.000 0.242 318 G C 0.437 175.432 174.900 0.159 0.000 0.982 318 G CA 0.340 45.519 45.100 0.131 0.000 0.662 318 G HN 0.503 nan 8.290 nan 0.000 0.527 319 I N -3.177 117.486 120.570 0.154 0.000 3.543 319 I HA 0.404 4.575 4.170 0.001 0.000 0.262 319 I C 0.679 176.839 176.117 0.072 0.000 1.301 319 I CA 0.453 61.815 61.300 0.104 0.000 1.242 319 I CB 0.412 38.456 38.000 0.074 0.000 1.402 319 I HN -0.076 nan 8.210 nan 0.000 0.671 320 D N 0.739 121.161 120.400 0.037 0.000 2.500 320 D HA 0.347 4.988 4.640 0.001 0.000 0.217 320 D C 0.453 176.829 176.300 0.127 0.000 1.159 320 D CA 0.551 54.591 54.000 0.066 0.000 0.828 320 D CB 1.409 42.201 40.800 -0.013 0.000 1.039 320 D HN 0.916 nan 8.370 nan 0.000 0.512 321 G N 0.247 109.009 108.800 -0.063 0.000 2.351 321 G HA2 0.231 4.192 3.960 0.001 0.000 0.279 321 G HA3 0.231 4.192 3.960 0.001 0.000 0.279 321 G C -2.136 172.583 174.900 -0.300 0.000 1.297 321 G CA -1.023 44.034 45.100 -0.071 0.000 0.886 321 G HN 0.037 nan 8.290 nan 0.000 0.493 322 W N -0.340 121.065 121.300 0.175 0.000 2.950 322 W HA 0.829 5.490 4.660 0.001 0.000 0.340 322 W C -0.037 176.419 176.519 -0.105 0.000 1.139 322 W CA -0.855 56.555 57.345 0.109 0.000 1.188 322 W CB 2.066 31.662 29.460 0.227 0.000 1.426 322 W HN 0.495 nan 8.180 nan 0.000 0.531 323 R N 2.669 123.233 120.500 0.107 0.000 2.480 323 R HA 0.542 4.883 4.340 0.001 0.000 0.306 323 R C -1.717 174.479 176.300 -0.172 0.000 0.958 323 R CA -0.754 55.215 56.100 -0.219 0.000 0.861 323 R CB 1.071 31.195 30.300 -0.294 0.000 1.171 323 R HN 0.762 nan 8.270 nan 0.000 0.445 324 L N 4.030 125.010 121.223 -0.405 0.000 2.277 324 L HA 0.307 4.648 4.340 0.001 0.000 0.284 324 L C 0.187 176.890 176.870 -0.278 0.000 1.028 324 L CA -0.886 53.686 54.840 -0.446 0.000 0.835 324 L CB 1.303 42.780 42.059 -0.970 0.000 1.215 324 L HN 0.559 nan 8.230 nan 0.000 0.425 325 D N 2.159 122.506 120.400 -0.088 0.000 2.382 325 D HA 0.172 4.813 4.640 0.001 0.000 0.245 325 D C 0.721 177.023 176.300 0.003 0.000 1.120 325 D CA -0.155 53.860 54.000 0.025 0.000 0.890 325 D CB 1.134 42.044 40.800 0.183 0.000 1.201 325 D HN 0.294 nan 8.370 nan 0.000 0.433 326 V N 2.649 122.584 119.914 0.035 0.000 5.482 326 V HA -0.313 3.808 4.120 0.001 0.000 0.262 326 V C 1.551 177.674 176.094 0.049 0.000 0.664 326 V CA 0.982 63.330 62.300 0.079 0.000 0.609 326 V CB -2.432 29.506 31.823 0.192 0.000 0.306 326 V HN 0.728 nan 8.190 nan 0.000 0.731 327 A N 1.798 124.567 122.820 -0.085 0.000 2.015 327 A HA -0.144 4.177 4.320 0.001 0.000 0.219 327 A C 1.829 179.468 177.584 0.091 0.000 1.163 327 A CA 1.593 53.600 52.037 -0.051 0.000 0.646 327 A CB -0.370 18.221 19.000 -0.683 0.000 0.806 327 A HN 1.012 nan 8.150 nan 0.000 0.448 328 N N 0.072 118.681 118.700 -0.152 0.000 2.515 328 N HA -0.045 4.696 4.740 0.001 0.000 0.191 328 N C 0.530 176.148 175.510 0.180 0.000 1.182 328 N CA 0.854 53.822 53.050 -0.137 0.000 0.879 328 N CB -0.280 37.998 38.487 -0.348 0.000 0.984 328 N HN 0.656 nan 8.380 nan 0.000 0.453 329 E N -0.160 120.140 120.200 0.167 0.000 2.538 329 E HA 0.093 4.444 4.350 0.001 0.000 0.207 329 E C -0.238 176.426 176.600 0.106 0.000 1.002 329 E CA -0.259 56.228 56.400 0.146 0.000 0.952 329 E CB 1.126 30.897 29.700 0.118 0.000 1.031 329 E HN 0.258 nan 8.360 nan 0.000 0.476 330 V N 0.686 120.683 119.914 0.138 0.000 2.630 330 V HA 0.230 4.350 4.120 0.001 0.000 0.305 330 V C -0.195 175.885 176.094 -0.022 0.000 1.046 330 V CA -1.047 61.209 62.300 -0.074 0.000 0.934 330 V CB 1.587 33.129 31.823 -0.469 0.000 1.003 330 V HN 0.098 nan 8.190 nan 0.000 0.451 331 D N 3.003 123.355 120.400 -0.080 0.000 2.362 331 D HA -0.037 4.604 4.640 0.001 0.000 0.238 331 D C 0.501 176.879 176.300 0.130 0.000 1.212 331 D CA 0.320 54.359 54.000 0.065 0.000 0.902 331 D CB 0.759 41.606 40.800 0.078 0.000 1.180 331 D HN 0.789 nan 8.370 nan 0.000 0.445 332 H N 0.382 119.604 119.070 0.254 0.000 2.395 332 H HA 0.050 4.607 4.556 0.001 0.000 0.299 332 H C 2.100 177.579 175.328 0.252 0.000 1.070 332 H CA 1.783 58.007 56.048 0.295 0.000 1.356 332 H CB -0.021 29.811 29.762 0.117 0.000 1.401 332 H HN 0.615 nan 8.280 nan 0.000 0.524 333 A N 0.688 123.674 122.820 0.276 0.000 1.877 333 A HA -0.214 4.107 4.320 0.001 0.000 0.216 333 A C 2.095 179.810 177.584 0.218 0.000 1.186 333 A CA 1.504 53.659 52.037 0.197 0.000 0.620 333 A CB -1.025 18.048 19.000 0.121 0.000 0.822 333 A HN 0.448 nan 8.150 nan 0.000 0.443 334 F N -0.679 119.273 119.950 0.003 0.000 2.063 334 F HA -0.258 4.270 4.527 0.001 0.000 0.298 334 F C 2.073 177.974 175.800 0.168 0.000 1.109 334 F CA 1.967 59.924 58.000 -0.073 0.000 1.212 334 F CB -0.598 38.142 39.000 -0.433 0.000 0.973 334 F HN 0.444 nan 8.300 nan 0.000 0.480 335 W N 0.211 121.870 121.300 0.599 0.000 2.388 335 W HA -0.078 4.582 4.660 0.001 0.000 0.294 335 W C 2.651 179.398 176.519 0.379 0.000 1.212 335 W CA 0.701 58.371 57.345 0.541 0.000 1.271 335 W CB -0.387 29.338 29.460 0.442 0.000 1.126 335 W HN -0.170 nan 8.180 nan 0.000 0.535 336 R N 0.430 121.205 120.500 0.459 0.000 2.096 336 R HA -0.149 4.192 4.340 0.001 0.000 0.235 336 R C 1.846 178.282 176.300 0.227 0.000 1.127 336 R CA 1.603 57.869 56.100 0.277 0.000 0.968 336 R CB -0.383 30.027 30.300 0.183 0.000 0.861 336 R HN 0.305 nan 8.270 nan 0.000 0.440 337 E N -0.283 120.061 120.200 0.240 0.000 2.112 337 E HA -0.148 4.203 4.350 0.001 0.000 0.190 337 E C 1.590 178.196 176.600 0.010 0.000 0.979 337 E CA 0.652 57.152 56.400 0.168 0.000 0.814 337 E CB -0.080 29.783 29.700 0.271 0.000 0.762 337 E HN 0.176 nan 8.360 nan 0.000 0.460 338 F N 1.972 121.869 119.950 -0.088 0.000 2.065 338 F HA -0.278 4.250 4.527 0.001 0.000 0.298 338 F C 2.430 178.189 175.800 -0.069 0.000 1.112 338 F CA 1.940 59.770 58.000 -0.282 0.000 1.212 338 F CB -0.097 39.039 39.000 0.227 0.000 0.975 338 F HN -0.189 nan 8.300 nan 0.000 0.476 339 R N 0.026 120.656 120.500 0.218 0.000 2.103 339 R HA -0.224 4.117 4.340 0.001 0.000 0.242 339 R C 2.374 178.641 176.300 -0.054 0.000 1.142 339 R CA 2.059 58.200 56.100 0.070 0.000 0.960 339 R CB -0.201 30.203 30.300 0.174 0.000 0.858 339 R HN 0.278 nan 8.270 nan 0.000 0.439 340 R N 0.253 120.728 120.500 -0.043 0.000 2.073 340 R HA -0.118 4.223 4.340 0.001 0.000 0.234 340 R C 2.416 178.647 176.300 -0.114 0.000 1.134 340 R CA 1.687 57.761 56.100 -0.044 0.000 0.952 340 R CB -0.616 29.677 30.300 -0.013 0.000 0.850 340 R HN 0.286 nan 8.270 nan 0.000 0.433 341 L N 0.565 121.646 121.223 -0.237 0.000 1.961 341 L HA -0.195 4.146 4.340 0.001 0.000 0.210 341 L C 2.039 178.754 176.870 -0.258 0.000 1.072 341 L CA 1.547 56.211 54.840 -0.294 0.000 0.749 341 L CB -0.448 41.289 42.059 -0.536 0.000 0.889 341 L HN 0.021 nan 8.230 nan 0.000 0.432 342 V N 0.764 120.439 119.914 -0.399 0.000 2.250 342 V HA -0.374 3.747 4.120 0.001 0.000 0.253 342 V C 2.770 178.827 176.094 -0.062 0.000 1.065 342 V CA 2.337 64.489 62.300 -0.247 0.000 1.039 342 V CB -0.835 30.764 31.823 -0.374 0.000 0.647 342 V HN 0.494 nan 8.190 nan 0.000 0.446 343 K N 0.534 120.905 120.400 -0.049 0.000 2.147 343 K HA -0.117 4.204 4.320 0.001 0.000 0.205 343 K C 2.442 179.048 176.600 0.011 0.000 1.049 343 K CA 1.641 57.936 56.287 0.015 0.000 0.936 343 K CB -0.610 31.909 32.500 0.033 0.000 0.722 343 K HN 0.708 nan 8.250 nan 0.000 0.446 344 S N 0.862 116.551 115.700 -0.019 0.000 2.383 344 S HA -0.089 4.382 4.470 0.001 0.000 0.227 344 S C 1.979 176.581 174.600 0.003 0.000 1.026 344 S CA 0.667 58.862 58.200 -0.008 0.000 0.981 344 S CB -0.180 63.007 63.200 -0.023 0.000 0.818 344 S HN 0.045 nan 8.310 nan 0.000 0.472 345 L N 1.855 123.079 121.223 0.002 0.000 2.240 345 L HA 0.367 4.708 4.340 0.001 0.000 0.211 345 L C 0.967 177.865 176.870 0.046 0.000 1.106 345 L CA 1.021 55.876 54.840 0.026 0.000 0.793 345 L CB -1.043 41.041 42.059 0.041 0.000 0.927 345 L HN 0.627 nan 8.230 nan 0.000 0.446 346 N N -1.247 117.487 118.700 0.058 0.000 2.747 346 N HA 0.121 4.862 4.740 0.001 0.000 0.262 346 N C -2.314 173.251 175.510 0.092 0.000 1.261 346 N CA -0.840 52.256 53.050 0.077 0.000 0.809 346 N CB 1.548 40.095 38.487 0.099 0.000 1.450 346 N HN -0.257 nan 8.380 nan 0.000 0.560 347 P HA -0.118 nan 4.420 nan 0.000 0.218 347 P C 0.105 177.479 177.300 0.123 0.000 1.146 347 P CA 1.165 64.317 63.100 0.086 0.000 0.813 347 P CB 0.241 31.984 31.700 0.072 0.000 0.778 348 D N -1.180 119.318 120.400 0.162 0.000 2.339 348 D HA 0.120 4.761 4.640 0.001 0.000 0.217 348 D C 0.673 177.198 176.300 0.374 0.000 1.050 348 D CA 0.068 54.233 54.000 0.275 0.000 0.856 348 D CB -0.012 40.976 40.800 0.314 0.000 0.922 348 D HN 0.067 nan 8.370 nan 0.000 0.518 349 A N 1.369 124.344 122.820 0.259 0.000 2.545 349 A HA 0.150 4.471 4.320 0.001 0.000 0.253 349 A C 0.164 177.919 177.584 0.285 0.000 1.074 349 A CA -0.088 52.113 52.037 0.273 0.000 0.760 349 A CB -0.038 19.097 19.000 0.226 0.000 1.005 349 A HN 0.233 nan 8.150 nan 0.000 0.506 350 L N 3.569 124.997 121.223 0.343 0.000 2.399 350 L HA 0.676 5.017 4.340 0.001 0.000 0.266 350 L C -0.334 176.637 176.870 0.168 0.000 1.114 350 L CA 0.034 54.985 54.840 0.186 0.000 0.804 350 L CB 0.770 42.908 42.059 0.132 0.000 1.146 350 L HN 0.596 nan 8.230 nan 0.000 0.451 351 I N 4.981 125.596 120.570 0.076 0.000 2.468 351 I HA 0.399 4.569 4.170 0.001 0.000 0.285 351 I C -1.291 174.709 176.117 -0.196 0.000 1.039 351 I CA -0.662 60.685 61.300 0.079 0.000 1.074 351 I CB 1.856 40.006 38.000 0.248 0.000 1.228 351 I HN 0.244 nan 8.210 nan 0.000 0.436 352 V N 4.643 124.288 119.914 -0.449 0.000 2.577 352 V HA 0.662 4.783 4.120 0.001 0.000 0.303 352 V C 0.413 175.979 176.094 -0.881 0.000 1.042 352 V CA -0.540 61.315 62.300 -0.741 0.000 0.872 352 V CB 1.872 32.996 31.823 -1.164 0.000 0.998 352 V HN 0.847 nan 8.190 nan 0.000 0.423 353 G N 1.790 110.004 108.800 -0.977 0.000 2.410 353 G HA2 0.553 4.514 3.960 0.001 0.000 0.330 353 G HA3 0.553 4.514 3.960 0.001 0.000 0.330 353 G C -0.591 173.925 174.900 -0.639 0.000 1.142 353 G CA -0.298 44.076 45.100 -1.210 0.000 0.902 353 G HN 0.646 nan 8.290 nan 0.000 0.491 354 E N 1.686 121.606 120.200 -0.468 0.000 2.079 354 E HA 0.323 4.674 4.350 0.001 0.000 0.252 354 E C -0.693 175.857 176.600 -0.084 0.000 0.992 354 E CA -0.200 56.103 56.400 -0.162 0.000 0.829 354 E CB 0.294 29.984 29.700 -0.016 0.000 1.158 354 E HN 0.316 nan 8.360 nan 0.000 0.435 355 I N 3.080 123.591 120.570 -0.097 0.000 2.498 355 I HA 0.212 4.383 4.170 0.001 0.000 0.290 355 I C -0.069 176.132 176.117 0.140 0.000 1.032 355 I CA -0.810 60.430 61.300 -0.099 0.000 1.073 355 I CB 1.374 39.104 38.000 -0.449 0.000 1.251 355 I HN 0.523 nan 8.210 nan 0.000 0.426 356 W N 2.476 123.742 121.300 -0.057 0.000 2.762 356 W HA 0.064 4.725 4.660 0.001 0.000 0.265 356 W C 1.409 178.035 176.519 0.178 0.000 1.263 356 W CA 0.192 57.593 57.345 0.093 0.000 1.411 356 W CB -0.226 29.191 29.460 -0.071 0.000 1.065 356 W HN 0.597 nan 8.180 nan 0.000 0.609 357 H N -1.919 117.353 119.070 0.336 0.000 2.683 357 H HA 0.214 4.771 4.556 0.001 0.000 0.276 357 H C 0.164 175.682 175.328 0.317 0.000 1.564 357 H CA -0.620 55.597 56.048 0.283 0.000 1.590 357 H CB -0.274 29.630 29.762 0.236 0.000 1.692 357 H HN -0.329 nan 8.280 nan 0.000 0.871 358 D N -0.221 120.490 120.400 0.518 0.000 2.356 358 D HA 0.021 4.662 4.640 0.001 0.000 0.272 358 D C 0.268 176.890 176.300 0.536 0.000 1.337 358 D CA 0.204 54.489 54.000 0.475 0.000 0.970 358 D CB 0.084 41.114 40.800 0.383 0.000 1.092 358 D HN 0.686 nan 8.370 nan 0.000 0.516 359 A N 3.308 126.412 122.820 0.474 0.000 2.359 359 A HA 0.022 4.343 4.320 0.001 0.000 0.240 359 A C 2.003 179.791 177.584 0.340 0.000 1.306 359 A CA 0.477 52.792 52.037 0.464 0.000 0.898 359 A CB -0.523 18.563 19.000 0.143 0.000 0.956 359 A HN 0.583 nan 8.150 nan 0.000 0.497 360 S N -0.624 115.322 115.700 0.409 0.000 2.402 360 S HA -0.110 4.361 4.470 0.001 0.000 0.233 360 S C 1.771 176.409 174.600 0.062 0.000 1.030 360 S CA 1.568 59.932 58.200 0.273 0.000 1.003 360 S CB -0.686 62.765 63.200 0.418 0.000 0.813 360 S HN 0.670 nan 8.310 nan 0.000 0.477 361 G N -0.821 107.951 108.800 -0.048 0.000 2.744 361 G HA2 0.060 4.021 3.960 0.001 0.000 0.211 361 G HA3 0.060 4.021 3.960 0.001 0.000 0.211 361 G C 0.843 175.460 174.900 -0.472 0.000 1.143 361 G CA -0.005 44.880 45.100 -0.358 0.000 0.788 361 G HN 0.629 nan 8.290 nan 0.000 0.534 362 W N -0.054 121.168 121.300 -0.131 0.000 3.005 362 W HA 0.446 5.107 4.660 0.001 0.000 0.374 362 W C 0.104 176.383 176.519 -0.401 0.000 1.076 362 W CA -0.299 56.818 57.345 -0.382 0.000 1.794 362 W CB 0.379 29.432 29.460 -0.678 0.000 1.113 362 W HN 0.029 nan 8.180 nan 0.000 0.584 363 L N 1.035 122.200 121.223 -0.095 0.000 3.096 363 L HA 0.206 4.547 4.340 0.001 0.000 0.272 363 L C 1.141 177.946 176.870 -0.108 0.000 1.311 363 L CA -0.160 54.615 54.840 -0.109 0.000 0.943 363 L CB 0.197 42.126 42.059 -0.217 0.000 1.348 363 L HN -0.215 nan 8.230 nan 0.000 0.562 364 M N -0.393 119.041 119.600 -0.277 0.000 2.421 364 M HA 0.369 4.850 4.480 0.001 0.000 0.258 364 M C 1.454 177.405 176.300 -0.583 0.000 1.122 364 M CA 0.517 55.677 55.300 -0.234 0.000 1.078 364 M CB 0.448 32.969 32.600 -0.133 0.000 1.380 364 M HN 0.417 nan 8.290 nan 0.000 0.499 365 G N 0.904 109.034 108.800 -1.116 0.000 2.273 365 G HA2 -0.156 3.805 3.960 0.001 0.000 0.162 365 G HA3 -0.156 3.805 3.960 0.001 0.000 0.162 365 G C 0.064 174.580 174.900 -0.641 0.000 1.006 365 G CA 0.329 44.511 45.100 -1.529 0.000 0.704 365 G HN 0.466 nan 8.290 nan 0.000 0.487 366 D N -0.401 119.765 120.400 -0.390 0.000 2.469 366 D HA 0.329 4.969 4.640 0.001 0.000 0.215 366 D C 1.129 177.389 176.300 -0.066 0.000 1.154 366 D CA 0.363 54.266 54.000 -0.163 0.000 0.832 366 D CB 0.220 40.965 40.800 -0.092 0.000 1.008 366 D HN 0.505 nan 8.370 nan 0.000 0.506 367 Q N -0.675 119.051 119.800 -0.123 0.000 1.906 367 Q HA 0.358 4.699 4.340 0.001 0.000 0.173 367 Q C -0.352 175.701 176.000 0.089 0.000 0.547 367 Q CA -0.608 55.171 55.803 -0.039 0.000 0.613 367 Q CB 0.661 29.235 28.738 -0.274 0.000 1.757 367 Q HN 0.092 nan 8.270 nan 0.000 0.235 368 F N 2.387 122.335 119.950 -0.003 0.000 2.418 368 F HA 0.121 4.649 4.527 0.001 0.000 0.341 368 F C 0.912 176.725 175.800 0.022 0.000 1.120 368 F CA -0.748 57.216 58.000 -0.059 0.000 1.232 368 F CB 0.582 39.473 39.000 -0.182 0.000 1.175 368 F HN 0.312 nan 8.300 nan 0.000 0.569 369 D N 0.282 120.830 120.400 0.246 0.000 2.224 369 D HA -0.045 4.596 4.640 0.001 0.000 0.205 369 D C 0.769 177.132 176.300 0.105 0.000 0.965 369 D CA 1.015 55.155 54.000 0.234 0.000 0.852 369 D CB 0.430 41.277 40.800 0.079 0.000 0.947 369 D HN 0.386 nan 8.370 nan 0.000 0.494 370 S N -1.016 114.669 115.700 -0.024 0.000 2.636 370 S HA 0.458 4.929 4.470 0.001 0.000 0.266 370 S C -1.654 172.783 174.600 -0.272 0.000 1.147 370 S CA -0.650 57.448 58.200 -0.170 0.000 0.815 370 S CB 1.104 64.112 63.200 -0.320 0.000 1.119 370 S HN -0.053 nan 8.310 nan 0.000 0.470 371 V N -0.057 119.691 119.914 -0.277 0.000 3.160 371 V HA 0.676 4.797 4.120 0.001 0.000 0.310 371 V C -0.424 175.493 176.094 -0.295 0.000 1.181 371 V CA -1.279 60.832 62.300 -0.314 0.000 1.047 371 V CB 1.860 33.582 31.823 -0.170 0.000 1.068 371 V HN 0.950 nan 8.190 nan 0.000 0.441 372 M N 3.035 122.464 119.600 -0.285 0.000 2.292 372 M HA 0.259 4.740 4.480 0.001 0.000 0.342 372 M C 0.106 176.250 176.300 -0.260 0.000 1.538 372 M CA 0.173 55.322 55.300 -0.252 0.000 1.163 372 M CB -0.363 32.025 32.600 -0.353 0.000 1.823 372 M HN 0.775 nan 8.290 nan 0.000 0.462 373 N N 2.982 121.572 118.700 -0.183 0.000 3.050 373 N HA 0.036 4.776 4.740 0.001 0.000 0.289 373 N C 0.320 175.790 175.510 -0.067 0.000 1.209 373 N CA 0.173 53.201 53.050 -0.036 0.000 1.154 373 N CB -0.185 38.323 38.487 0.035 0.000 1.444 373 N HN 0.456 nan 8.380 nan 0.000 0.529 374 Y N 0.786 121.033 120.300 -0.088 0.000 2.315 374 Y HA -0.216 4.335 4.550 0.001 0.000 0.288 374 Y C 1.793 177.724 175.900 0.051 0.000 1.154 374 Y CA 0.565 58.583 58.100 -0.136 0.000 1.229 374 Y CB 0.287 38.500 38.460 -0.411 0.000 0.980 374 Y HN 0.387 nan 8.280 nan 0.000 0.540 375 L N -1.039 120.332 121.223 0.245 0.000 1.970 375 L HA -0.280 4.061 4.340 0.001 0.000 0.212 375 L C 2.308 179.287 176.870 0.181 0.000 1.071 375 L CA 1.826 56.789 54.840 0.205 0.000 0.751 375 L CB -1.923 40.242 42.059 0.176 0.000 0.889 375 L HN 0.287 nan 8.230 nan 0.000 0.432 376 F N 1.162 121.145 119.950 0.054 0.000 2.063 376 F HA -0.352 4.176 4.527 0.001 0.000 0.297 376 F C 2.927 178.776 175.800 0.082 0.000 1.099 376 F CA 2.429 60.456 58.000 0.045 0.000 1.220 376 F CB -0.336 38.686 39.000 0.037 0.000 0.972 376 F HN 0.042 nan 8.300 nan 0.000 0.487 377 R N 0.419 121.042 120.500 0.204 0.000 2.096 377 R HA -0.173 4.168 4.340 0.001 0.000 0.235 377 R C 2.236 178.603 176.300 0.112 0.000 1.127 377 R CA 1.862 58.032 56.100 0.116 0.000 0.968 377 R CB -0.431 29.969 30.300 0.167 0.000 0.861 377 R HN 0.491 nan 8.270 nan 0.000 0.440 378 E N -0.069 120.214 120.200 0.137 0.000 2.049 378 E HA -0.182 4.169 4.350 0.001 0.000 0.198 378 E C 2.018 178.674 176.600 0.093 0.000 1.007 378 E CA 1.923 58.403 56.400 0.134 0.000 0.809 378 E CB -0.059 29.723 29.700 0.137 0.000 0.749 378 E HN 0.323 nan 8.360 nan 0.000 0.450 379 S N 0.461 116.179 115.700 0.030 0.000 2.383 379 S HA -0.132 4.339 4.470 0.001 0.000 0.229 379 S C 2.178 176.874 174.600 0.161 0.000 1.030 379 S CA 0.826 59.052 58.200 0.044 0.000 1.002 379 S CB -0.174 62.953 63.200 -0.121 0.000 0.829 379 S HN 0.056 nan 8.310 nan 0.000 0.467 380 V N 2.156 122.120 119.914 0.084 0.000 2.358 380 V HA -0.120 4.001 4.120 0.001 0.000 0.246 380 V C 2.178 178.555 176.094 0.471 0.000 1.047 380 V CA 1.179 63.645 62.300 0.278 0.000 1.035 380 V CB -0.498 31.294 31.823 -0.051 0.000 0.658 380 V HN 0.416 nan 8.190 nan 0.000 0.452 381 I N 1.017 121.819 120.570 0.387 0.000 2.142 381 I HA -0.217 3.954 4.170 0.001 0.000 0.240 381 I C 2.618 178.825 176.117 0.150 0.000 1.078 381 I CA 2.024 63.525 61.300 0.335 0.000 1.343 381 I CB -1.132 37.012 38.000 0.240 0.000 1.046 381 I HN 0.464 nan 8.210 nan 0.000 0.405 382 R N -0.216 120.352 120.500 0.114 0.000 2.323 382 R HA -0.105 4.236 4.340 0.001 0.000 0.198 382 R C 1.978 178.284 176.300 0.010 0.000 0.988 382 R CA 0.821 56.949 56.100 0.046 0.000 1.041 382 R CB -0.468 29.852 30.300 0.033 0.000 0.926 382 R HN 0.263 nan 8.270 nan 0.000 0.476 383 F N 0.428 120.243 119.950 -0.224 0.000 2.419 383 F HA 0.293 4.820 4.527 0.002 0.000 0.283 383 F C 0.996 176.466 175.800 -0.549 0.000 1.044 383 F CA -0.088 57.575 58.000 -0.561 0.000 1.376 383 F CB 0.215 38.490 39.000 -1.209 0.000 1.131 383 F HN -0.147 nan 8.300 nan 0.000 0.585 384 F N -0.229 119.479 119.950 -0.404 0.000 2.656 384 F HA 0.397 4.925 4.527 0.001 0.000 0.291 384 F C 2.106 177.773 175.800 -0.222 0.000 1.122 384 F CA 0.601 58.362 58.000 -0.398 0.000 1.427 384 F CB -0.876 38.030 39.000 -0.158 0.000 1.125 384 F HN 0.063 nan 8.300 nan 0.000 0.583 385 A N 0.518 123.351 122.820 0.021 0.000 1.922 385 A HA -0.026 4.295 4.320 0.001 0.000 0.216 385 A C 2.225 179.726 177.584 -0.138 0.000 1.370 385 A CA 1.608 53.538 52.037 -0.178 0.000 0.627 385 A CB -1.292 17.477 19.000 -0.386 0.000 1.060 385 A HN 0.272 nan 8.150 nan 0.000 0.487 386 T N -3.766 110.729 114.554 -0.100 0.000 2.985 386 T HA 0.333 4.684 4.350 0.001 0.000 0.266 386 T C 1.536 176.187 174.700 -0.081 0.000 1.076 386 T CA 1.354 63.406 62.100 -0.080 0.000 1.135 386 T CB -0.275 68.562 68.868 -0.051 0.000 0.890 386 T HN 1.872 nan 8.240 nan 0.000 0.480 387 G N 1.793 110.529 108.800 -0.107 0.000 2.155 387 G HA2 -0.343 3.618 3.960 0.001 0.000 0.257 387 G HA3 -0.343 3.618 3.960 0.001 0.000 0.257 387 G C 0.596 175.451 174.900 -0.076 0.000 0.983 387 G CA 0.598 45.626 45.100 -0.120 0.000 0.676 387 G HN 0.640 nan 8.290 nan 0.000 0.528 388 E N -0.362 119.803 120.200 -0.058 0.000 2.187 388 E HA -0.082 4.268 4.350 0.001 0.000 0.199 388 E C 1.678 178.230 176.600 -0.080 0.000 1.004 388 E CA 1.273 57.640 56.400 -0.055 0.000 0.813 388 E CB -0.146 29.530 29.700 -0.041 0.000 0.736 388 E HN 0.960 nan 8.360 nan 0.000 0.468 389 I N -1.515 119.015 120.570 -0.067 0.000 2.693 389 I HA 0.358 4.529 4.170 0.001 0.000 0.303 389 I C 0.387 176.492 176.117 -0.020 0.000 1.025 389 I CA -1.180 60.043 61.300 -0.127 0.000 1.086 389 I CB 1.652 39.587 38.000 -0.108 0.000 1.268 389 I HN -0.086 nan 8.210 nan 0.000 0.440 390 H N 3.035 122.136 119.070 0.052 0.000 2.645 390 H HA 0.590 5.146 4.556 0.001 0.000 0.308 390 H C 0.794 176.163 175.328 0.068 0.000 1.495 390 H CA -0.556 55.542 56.048 0.085 0.000 1.518 390 H CB 1.379 31.159 29.762 0.030 0.000 1.752 390 H HN 0.735 nan 8.280 nan 0.000 0.797 391 A N -0.096 122.926 122.820 0.337 0.000 2.067 391 A HA -0.127 4.193 4.320 0.001 0.000 0.219 391 A C 1.965 179.558 177.584 0.016 0.000 1.158 391 A CA 1.461 53.547 52.037 0.082 0.000 0.661 391 A CB -0.614 18.500 19.000 0.189 0.000 0.801 391 A HN 0.834 nan 8.150 nan 0.000 0.452 392 E N -1.190 119.097 120.200 0.145 0.000 2.216 392 E HA -0.006 4.345 4.350 0.001 0.000 0.192 392 E C 2.219 178.886 176.600 0.112 0.000 0.973 392 E CA 0.102 56.534 56.400 0.053 0.000 0.851 392 E CB -0.032 29.622 29.700 -0.077 0.000 0.804 392 E HN 0.542 nan 8.360 nan 0.000 0.477 393 R N 0.391 121.049 120.500 0.263 0.000 2.081 393 R HA -0.143 4.198 4.340 0.001 0.000 0.235 393 R C 2.109 178.340 176.300 -0.115 0.000 1.131 393 R CA 1.078 57.179 56.100 0.001 0.000 0.960 393 R CB -0.268 29.945 30.300 -0.144 0.000 0.856 393 R HN 0.164 nan 8.270 nan 0.000 0.436 394 F N 1.668 121.362 119.950 -0.427 0.000 2.063 394 F HA -0.350 4.178 4.527 0.001 0.000 0.298 394 F C 2.169 177.540 175.800 -0.714 0.000 1.109 394 F CA 2.092 59.638 58.000 -0.756 0.000 1.212 394 F CB -0.315 37.796 39.000 -1.480 0.000 0.973 394 F HN 0.141 nan 8.300 nan 0.000 0.480 395 D N 0.356 120.358 120.400 -0.663 0.000 2.133 395 D HA -0.224 4.417 4.640 0.001 0.000 0.195 395 D C 2.127 178.271 176.300 -0.260 0.000 0.997 395 D CA 1.507 55.213 54.000 -0.490 0.000 0.840 395 D CB -0.384 40.373 40.800 -0.071 0.000 0.947 395 D HN 0.369 nan 8.370 nan 0.000 0.452 396 A N 0.361 123.078 122.820 -0.171 0.000 1.898 396 A HA -0.134 4.187 4.320 0.001 0.000 0.216 396 A C 2.189 179.705 177.584 -0.114 0.000 1.181 396 A CA 1.418 53.409 52.037 -0.077 0.000 0.620 396 A CB -0.470 18.514 19.000 -0.026 0.000 0.819 396 A HN 0.291 nan 8.150 nan 0.000 0.442 397 E N -0.510 119.570 120.200 -0.201 0.000 2.047 397 E HA -0.154 4.197 4.350 0.001 0.000 0.191 397 E C 1.892 178.342 176.600 -0.251 0.000 0.987 397 E CA 0.957 57.242 56.400 -0.191 0.000 0.799 397 E CB -0.248 29.328 29.700 -0.207 0.000 0.752 397 E HN 0.372 nan 8.360 nan 0.000 0.449 398 L N 0.904 121.852 121.223 -0.457 0.000 2.013 398 L HA -0.213 4.127 4.340 0.001 0.000 0.212 398 L C 2.436 179.222 176.870 -0.140 0.000 1.073 398 L CA 1.920 56.531 54.840 -0.383 0.000 0.753 398 L CB -1.445 40.247 42.059 -0.612 0.000 0.890 398 L HN 0.165 nan 8.230 nan 0.000 0.432 399 T N -1.400 113.078 114.554 -0.127 0.000 2.812 399 T HA -0.178 4.173 4.350 0.001 0.000 0.264 399 T C 2.013 176.617 174.700 -0.160 0.000 1.042 399 T CA 1.319 63.363 62.100 -0.093 0.000 1.140 399 T CB -0.093 68.754 68.868 -0.036 0.000 0.870 399 T HN 0.241 nan 8.240 nan 0.000 0.445 400 R N 1.352 121.800 120.500 -0.087 0.000 2.073 400 R HA -0.013 4.328 4.340 0.001 0.000 0.234 400 R C 2.530 178.758 176.300 -0.120 0.000 1.134 400 R CA 1.545 57.615 56.100 -0.050 0.000 0.952 400 R CB -0.572 29.770 30.300 0.070 0.000 0.850 400 R HN 0.325 nan 8.270 nan 0.000 0.433 401 A N 1.114 123.867 122.820 -0.112 0.000 1.883 401 A HA -0.186 4.135 4.320 0.001 0.000 0.217 401 A C 2.247 179.695 177.584 -0.226 0.000 1.186 401 A CA 1.527 53.475 52.037 -0.149 0.000 0.624 401 A CB -0.715 18.238 19.000 -0.078 0.000 0.822 401 A HN 0.426 nan 8.150 nan 0.000 0.444 402 R N -1.216 119.196 120.500 -0.146 0.000 2.139 402 R HA -0.143 4.198 4.340 0.001 0.000 0.243 402 R C 1.266 177.436 176.300 -0.218 0.000 1.145 402 R CA 1.706 57.721 56.100 -0.141 0.000 0.976 402 R CB -0.202 30.046 30.300 -0.087 0.000 0.866 402 R HN 0.429 nan 8.270 nan 0.000 0.449 403 M N -0.131 119.286 119.600 -0.304 0.000 2.495 403 M HA -0.014 4.467 4.480 0.001 0.000 0.237 403 M C 1.387 177.559 176.300 -0.213 0.000 1.131 403 M CA 0.269 55.365 55.300 -0.340 0.000 1.032 403 M CB -0.053 32.135 32.600 -0.687 0.000 1.513 403 M HN 0.104 nan 8.290 nan 0.000 0.488 404 L N -0.779 120.285 121.223 -0.265 0.000 2.179 404 L HA 0.059 4.400 4.340 0.001 0.000 0.208 404 L C 0.351 177.205 176.870 -0.027 0.000 1.096 404 L CA 1.287 55.991 54.840 -0.228 0.000 0.779 404 L CB -0.267 41.437 42.059 -0.591 0.000 0.922 404 L HN 0.159 nan 8.230 nan 0.000 0.443 405 Y N -1.792 118.518 120.300 0.016 0.000 2.630 405 Y HA 0.458 5.009 4.550 0.001 0.000 0.337 405 Y C -2.021 173.824 175.900 -0.093 0.000 1.051 405 Y CA -3.139 54.961 58.100 0.000 0.000 1.121 405 Y CB 0.415 38.886 38.460 0.017 0.000 1.299 405 Y HN -0.211 nan 8.280 nan 0.000 0.498 406 P HA -0.001 nan 4.420 nan 0.000 0.272 406 P C 0.246 177.384 177.300 -0.271 0.000 1.223 406 P CA -0.013 62.754 63.100 -0.556 0.000 0.784 406 P CB 0.648 31.874 31.700 -0.791 0.000 0.923 407 E N 1.777 121.877 120.200 -0.168 0.000 2.097 407 E HA -0.323 4.028 4.350 0.001 0.000 0.196 407 E C 1.203 177.668 176.600 -0.224 0.000 1.000 407 E CA 1.424 57.772 56.400 -0.087 0.000 0.804 407 E CB -0.659 29.052 29.700 0.018 0.000 0.740 407 E HN 0.409 nan 8.360 nan 0.000 0.454 408 Q N 1.105 120.676 119.800 -0.383 0.000 2.152 408 Q HA -0.163 4.178 4.340 0.001 0.000 0.206 408 Q C 2.231 177.809 176.000 -0.704 0.000 0.985 408 Q CA 2.306 57.738 55.803 -0.618 0.000 0.863 408 Q CB -0.376 27.759 28.738 -1.004 0.000 0.904 408 Q HN 0.497 nan 8.270 nan 0.000 0.422 409 A N 0.735 123.193 122.820 -0.603 0.000 1.841 409 A HA -0.073 4.248 4.320 0.001 0.000 0.214 409 A C 2.305 179.829 177.584 -0.100 0.000 1.195 409 A CA 1.623 53.509 52.037 -0.251 0.000 0.611 409 A CB -1.207 17.787 19.000 -0.011 0.000 0.835 409 A HN 0.398 nan 8.150 nan 0.000 0.443 410 A N -1.073 121.737 122.820 -0.017 0.000 2.024 410 A HA -0.220 4.101 4.320 0.001 0.000 0.220 410 A C 2.086 179.616 177.584 -0.091 0.000 1.164 410 A CA 2.135 54.176 52.037 0.005 0.000 0.643 410 A CB -0.558 18.446 19.000 0.007 0.000 0.806 410 A HN 0.612 nan 8.150 nan 0.000 0.451 411 Q N -0.484 119.232 119.800 -0.141 0.000 2.152 411 Q HA -0.101 4.240 4.340 0.001 0.000 0.206 411 Q C 1.419 177.331 176.000 -0.146 0.000 0.985 411 Q CA 1.929 57.637 55.803 -0.158 0.000 0.863 411 Q CB -0.423 28.210 28.738 -0.174 0.000 0.904 411 Q HN 0.520 nan 8.270 nan 0.000 0.422 412 G N -1.235 107.483 108.800 -0.136 0.000 3.969 412 G HA2 0.254 4.214 3.960 0.001 0.000 0.291 412 G HA3 0.254 4.214 3.960 0.001 0.000 0.291 412 G C -0.749 174.140 174.900 -0.018 0.000 1.016 412 G CA -0.513 44.532 45.100 -0.090 0.000 0.819 412 G HN 0.090 nan 8.290 nan 0.000 0.493 413 L N 1.018 122.224 121.223 -0.029 0.000 2.559 413 L HA 0.163 4.504 4.340 0.001 0.000 0.282 413 L C -0.090 176.825 176.870 0.076 0.000 1.232 413 L CA -0.829 54.011 54.840 0.001 0.000 0.885 413 L CB -0.089 41.986 42.059 0.026 0.000 1.131 413 L HN 0.217 nan 8.230 nan 0.000 0.498 414 W N 4.441 125.604 121.300 -0.227 0.000 2.585 414 W HA 0.179 4.840 4.660 0.001 0.000 0.337 414 W C 0.259 176.556 176.519 -0.369 0.000 1.226 414 W CA -0.779 56.400 57.345 -0.277 0.000 1.463 414 W CB -0.628 28.675 29.460 -0.261 0.000 1.458 414 W HN 0.401 nan 8.180 nan 0.000 0.458 415 N N 5.385 123.872 118.700 -0.356 0.000 2.437 415 N HA 0.248 4.988 4.740 0.001 0.000 0.243 415 N C -0.170 175.032 175.510 -0.514 0.000 1.041 415 N CA -0.224 52.342 53.050 -0.807 0.000 0.940 415 N CB 0.695 38.176 38.487 -1.676 0.000 1.133 415 N HN 0.362 nan 8.380 nan 0.000 0.506 416 L N -1.117 119.971 121.223 -0.224 0.000 2.335 416 L HA 0.616 4.957 4.340 0.001 0.000 0.268 416 L C 0.484 177.388 176.870 0.057 0.000 1.016 416 L CA -0.892 53.877 54.840 -0.117 0.000 0.805 416 L CB 1.120 43.051 42.059 -0.213 0.000 1.311 416 L HN 0.202 nan 8.230 nan 0.000 0.456 417 L N -0.597 120.599 121.223 -0.045 0.000 2.575 417 L HA 0.312 4.653 4.340 0.001 0.000 0.228 417 L C -0.708 176.212 176.870 0.083 0.000 1.075 417 L CA 0.157 54.916 54.840 -0.135 0.000 0.867 417 L CB 0.062 41.872 42.059 -0.415 0.000 1.097 417 L HN 0.912 nan 8.230 nan 0.000 0.485 418 D N -2.320 118.103 120.400 0.040 0.000 2.807 418 D HA 0.404 5.045 4.640 0.001 0.000 0.279 418 D C -0.658 175.542 176.300 -0.167 0.000 1.247 418 D CA -0.334 53.695 54.000 0.049 0.000 0.749 418 D CB 0.886 41.774 40.800 0.146 0.000 1.264 418 D HN -0.057 nan 8.370 nan 0.000 0.421 419 S N -1.784 113.750 115.700 -0.276 0.000 2.929 419 S HA 0.376 4.847 4.470 0.001 0.000 0.311 419 S C 0.622 174.833 174.600 -0.649 0.000 1.213 419 S CA -0.462 57.408 58.200 -0.551 0.000 0.908 419 S CB 0.404 63.632 63.200 0.047 0.000 1.287 419 S HN 0.881 nan 8.310 nan 0.000 0.594 420 H N 0.218 119.062 119.070 -0.378 0.000 2.561 420 H HA 0.217 4.773 4.556 0.001 0.000 0.278 420 H C -0.437 174.929 175.328 0.064 0.000 1.014 420 H CA 0.944 56.982 56.048 -0.015 0.000 1.211 420 H CB -0.634 29.283 29.762 0.259 0.000 1.365 420 H HN 0.506 nan 8.280 nan 0.000 0.594 421 D N 0.850 121.167 120.400 -0.138 0.000 2.501 421 D HA 0.213 4.854 4.640 0.001 0.000 0.226 421 D C -0.242 176.116 176.300 0.097 0.000 1.198 421 D CA 0.134 54.111 54.000 -0.040 0.000 0.830 421 D CB 0.822 41.624 40.800 0.004 0.000 1.014 421 D HN 0.228 nan 8.370 nan 0.000 0.496 422 T N -0.110 114.484 114.554 0.067 0.000 2.868 422 T HA 0.197 4.548 4.350 0.001 0.000 0.306 422 T C -0.441 174.304 174.700 0.075 0.000 1.224 422 T CA -0.926 61.239 62.100 0.108 0.000 1.012 422 T CB 2.638 71.587 68.868 0.134 0.000 1.221 422 T HN 0.086 nan 8.240 nan 0.000 0.499 423 E N 1.684 121.934 120.200 0.084 0.000 2.410 423 E HA 0.296 4.647 4.350 0.001 0.000 0.255 423 E C -0.334 176.326 176.600 0.099 0.000 1.194 423 E CA -0.662 55.777 56.400 0.066 0.000 0.955 423 E CB 0.726 30.451 29.700 0.042 0.000 0.988 423 E HN 0.271 nan 8.360 nan 0.000 0.461 424 R N 0.644 121.200 120.500 0.093 0.000 2.490 424 R HA 0.106 4.447 4.340 0.001 0.000 0.278 424 R C 0.714 177.139 176.300 0.208 0.000 1.069 424 R CA -0.279 55.917 56.100 0.160 0.000 1.080 424 R CB 0.320 30.681 30.300 0.102 0.000 1.030 424 R HN 0.677 nan 8.270 nan 0.000 0.491 425 F N 1.840 121.899 119.950 0.183 0.000 2.171 425 F HA -0.174 4.353 4.527 0.001 0.000 0.300 425 F C 2.154 178.117 175.800 0.271 0.000 1.090 425 F CA 1.317 59.455 58.000 0.230 0.000 1.293 425 F CB -0.039 39.116 39.000 0.259 0.000 1.013 425 F HN 0.464 nan 8.300 nan 0.000 0.486 426 L N -0.440 120.984 121.223 0.335 0.000 2.043 426 L HA -0.317 4.024 4.340 0.001 0.000 0.212 426 L C 2.220 179.042 176.870 -0.079 0.000 1.075 426 L CA 2.114 56.961 54.840 0.011 0.000 0.752 426 L CB -0.754 41.146 42.059 -0.266 0.000 0.891 426 L HN 0.210 nan 8.230 nan 0.000 0.432 427 T N -1.048 113.470 114.554 -0.061 0.000 2.708 427 T HA -0.164 4.187 4.350 0.001 0.000 0.266 427 T C 1.935 176.561 174.700 -0.122 0.000 1.037 427 T CA 1.599 63.651 62.100 -0.079 0.000 1.146 427 T CB -0.198 68.643 68.868 -0.045 0.000 0.865 427 T HN 0.390 nan 8.240 nan 0.000 0.435 428 S N 0.551 116.146 115.700 -0.175 0.000 2.420 428 S HA -0.129 4.342 4.470 0.001 0.000 0.237 428 S C 1.832 176.245 174.600 -0.311 0.000 1.023 428 S CA 0.737 58.780 58.200 -0.262 0.000 0.991 428 S CB -0.566 62.379 63.200 -0.425 0.000 0.792 428 S HN 0.537 nan 8.310 nan 0.000 0.488 429 C N 1.999 121.108 119.300 -0.319 0.000 2.480 429 C HA 0.433 4.894 4.460 0.001 0.000 0.317 429 C C 1.777 176.677 174.990 -0.150 0.000 1.300 429 C CA -0.737 58.139 59.018 -0.235 0.000 1.706 429 C CB -1.882 25.761 27.740 -0.162 0.000 1.840 429 C HN 0.708 nan 8.230 nan 0.000 0.596 430 G N 1.021 109.742 108.800 -0.132 0.000 2.424 430 G HA2 -0.015 3.946 3.960 0.001 0.000 0.290 430 G HA3 -0.015 3.946 3.960 0.001 0.000 0.290 430 G C 1.150 175.995 174.900 -0.093 0.000 0.912 430 G CA 0.651 45.692 45.100 -0.097 0.000 1.142 430 G HN 1.435 nan 8.290 nan 0.000 0.501 431 G N -0.712 108.027 108.800 -0.101 0.000 2.189 431 G HA2 -0.381 3.580 3.960 0.001 0.000 0.267 431 G HA3 -0.381 3.580 3.960 0.001 0.000 0.267 431 G C 0.515 175.355 174.900 -0.099 0.000 0.975 431 G CA 0.696 45.734 45.100 -0.103 0.000 0.644 431 G HN 1.384 nan 8.290 nan 0.000 0.537 432 N N 1.018 119.659 118.700 -0.097 0.000 2.399 432 N HA 0.164 4.905 4.740 0.001 0.000 0.259 432 N C 1.227 176.692 175.510 -0.074 0.000 1.160 432 N CA 0.714 53.702 53.050 -0.103 0.000 0.946 432 N CB 0.697 39.096 38.487 -0.147 0.000 1.156 432 N HN 0.636 nan 8.380 nan 0.000 0.489 433 E N 3.861 124.022 120.200 -0.066 0.000 2.072 433 E HA -0.167 4.184 4.350 0.001 0.000 0.191 433 E C 1.442 178.057 176.600 0.026 0.000 0.985 433 E CA 1.177 57.568 56.400 -0.015 0.000 0.801 433 E CB 0.050 29.726 29.700 -0.040 0.000 0.750 433 E HN 0.706 nan 8.360 nan 0.000 0.452 434 A N 1.480 124.257 122.820 -0.072 0.000 1.877 434 A HA -0.207 4.114 4.320 0.001 0.000 0.216 434 A C 2.054 179.523 177.584 -0.192 0.000 1.186 434 A CA 1.723 53.699 52.037 -0.102 0.000 0.620 434 A CB -0.405 18.553 19.000 -0.070 0.000 0.822 434 A HN 0.168 nan 8.150 nan 0.000 0.443 435 K N -1.672 118.503 120.400 -0.376 0.000 2.209 435 K HA -0.105 4.216 4.320 0.001 0.000 0.204 435 K C 1.732 178.329 176.600 -0.005 0.000 1.048 435 K CA 1.387 57.489 56.287 -0.308 0.000 0.940 435 K CB -0.296 32.007 32.500 -0.329 0.000 0.729 435 K HN 0.569 nan 8.250 nan 0.000 0.451 436 F N 2.114 122.036 119.950 -0.048 0.000 2.060 436 F HA -0.135 4.393 4.527 0.001 0.000 0.295 436 F C 2.182 178.025 175.800 0.071 0.000 1.120 436 F CA 1.306 59.368 58.000 0.104 0.000 1.205 436 F CB -0.050 39.017 39.000 0.111 0.000 0.986 436 F HN -0.204 nan 8.300 nan 0.000 0.470 437 R N -0.068 120.547 120.500 0.191 0.000 2.170 437 R HA -0.193 4.148 4.340 0.001 0.000 0.242 437 R C 2.049 178.402 176.300 0.088 0.000 1.145 437 R CA 1.562 57.745 56.100 0.139 0.000 0.984 437 R CB -0.700 29.555 30.300 -0.076 0.000 0.869 437 R HN 0.352 nan 8.270 nan 0.000 0.455 438 L N 0.222 121.440 121.223 -0.008 0.000 2.072 438 L HA 0.007 4.348 4.340 0.001 0.000 0.205 438 L C 2.238 178.895 176.870 -0.355 0.000 1.079 438 L CA 1.693 56.527 54.840 -0.010 0.000 0.752 438 L CB -0.541 41.597 42.059 0.132 0.000 0.906 438 L HN 0.110 nan 8.230 nan 0.000 0.436 439 A N -1.193 121.180 122.820 -0.744 0.000 1.940 439 A HA -0.152 4.169 4.320 0.001 0.000 0.219 439 A C 2.195 179.458 177.584 -0.536 0.000 1.176 439 A CA 1.990 53.402 52.037 -1.043 0.000 0.631 439 A CB -0.970 17.576 19.000 -0.757 0.000 0.814 439 A HN 0.302 nan 8.150 nan 0.000 0.446 440 V N -0.449 119.181 119.914 -0.474 0.000 2.453 440 V HA -0.173 3.948 4.120 0.001 0.000 0.247 440 V C 2.414 178.327 176.094 -0.301 0.000 1.048 440 V CA 1.604 63.629 62.300 -0.459 0.000 1.049 440 V CB -0.691 30.770 31.823 -0.603 0.000 0.672 440 V HN 0.619 nan 8.190 nan 0.000 0.457 441 L N -0.646 120.508 121.223 -0.116 0.000 2.056 441 L HA -0.164 4.176 4.340 0.001 0.000 0.207 441 L C 2.322 179.246 176.870 0.091 0.000 1.078 441 L CA 1.846 56.669 54.840 -0.027 0.000 0.749 441 L CB -0.326 41.831 42.059 0.163 0.000 0.901 441 L HN 0.373 nan 8.230 nan 0.000 0.433 442 F N 0.125 120.100 119.950 0.042 0.000 2.095 442 F HA -0.330 4.198 4.527 0.001 0.000 0.298 442 F C 2.635 178.577 175.800 0.236 0.000 1.104 442 F CA 2.034 60.187 58.000 0.256 0.000 1.232 442 F CB -0.149 38.988 39.000 0.228 0.000 0.987 442 F HN 0.162 nan 8.300 nan 0.000 0.475 443 Q N -0.357 119.334 119.800 -0.182 0.000 2.124 443 Q HA -0.215 4.126 4.340 0.001 0.000 0.202 443 Q C 1.869 177.720 176.000 -0.248 0.000 0.977 443 Q CA 1.436 57.108 55.803 -0.218 0.000 0.850 443 Q CB -0.058 28.586 28.738 -0.158 0.000 0.901 443 Q HN 0.393 nan 8.270 nan 0.000 0.429 444 M N -0.459 119.006 119.600 -0.226 0.000 2.595 444 M HA -0.031 4.450 4.480 0.001 0.000 0.248 444 M C 1.469 177.681 176.300 -0.146 0.000 1.119 444 M CA 1.040 56.203 55.300 -0.228 0.000 1.079 444 M CB 0.222 32.639 32.600 -0.305 0.000 1.472 444 M HN 0.289 nan 8.290 nan 0.000 0.501 445 T N -4.424 110.103 114.554 -0.046 0.000 2.959 445 T HA 0.131 4.482 4.350 0.001 0.000 0.254 445 T C 0.513 175.352 174.700 0.231 0.000 1.003 445 T CA -0.297 61.870 62.100 0.113 0.000 0.950 445 T CB -0.241 68.764 68.868 0.228 0.000 1.090 445 T HN 0.133 nan 8.240 nan 0.000 0.503 446 Y N 1.960 122.160 120.300 -0.166 0.000 2.281 446 Y HA 0.533 5.083 4.550 0.001 0.000 0.337 446 Y C 0.257 176.058 175.900 -0.165 0.000 1.304 446 Y CA -2.159 55.770 58.100 -0.284 0.000 1.465 446 Y CB 0.396 38.355 38.460 -0.834 0.000 1.350 446 Y HN 0.155 nan 8.280 nan 0.000 0.575 447 L N 3.400 123.963 121.223 -1.100 0.000 2.455 447 L HA 0.433 4.773 4.340 0.001 0.000 0.272 447 L C 0.295 176.909 176.870 -0.427 0.000 1.174 447 L CA 1.457 55.888 54.840 -0.682 0.000 0.869 447 L CB -0.473 41.112 42.059 -0.791 0.000 1.130 447 L HN 0.882 nan 8.230 nan 0.000 0.474 448 G N 2.874 111.514 108.800 -0.267 0.000 2.373 448 G HA2 -0.035 3.925 3.960 0.001 0.000 0.634 448 G HA3 -0.035 3.925 3.960 0.001 0.000 0.634 448 G C -0.790 173.992 174.900 -0.196 0.000 1.267 448 G CA -0.461 44.517 45.100 -0.202 0.000 1.008 448 G HN 0.704 nan 8.290 nan 0.000 0.497 449 T N 3.468 117.920 114.554 -0.169 0.000 2.788 449 T HA 0.628 4.979 4.350 0.001 0.000 0.296 449 T C -2.503 172.017 174.700 -0.301 0.000 1.009 449 T CA -0.844 61.147 62.100 -0.181 0.000 0.949 449 T CB 1.979 70.802 68.868 -0.075 0.000 0.946 449 T HN 0.526 nan 8.240 nan 0.000 0.453 450 P HA 0.173 nan 4.420 nan 0.000 0.267 450 P C -0.779 176.318 177.300 -0.338 0.000 1.205 450 P CA -0.631 62.282 63.100 -0.311 0.000 0.765 450 P CB 0.649 32.207 31.700 -0.236 0.000 0.828 451 L N 5.635 126.657 121.223 -0.335 0.000 2.298 451 L HA 0.411 4.752 4.340 0.001 0.000 0.284 451 L C -0.330 176.448 176.870 -0.154 0.000 1.013 451 L CA -0.702 53.949 54.840 -0.316 0.000 0.824 451 L CB 0.387 42.249 42.059 -0.328 0.000 1.221 451 L HN 0.235 nan 8.230 nan 0.000 0.418 452 I N 4.950 125.451 120.570 -0.115 0.000 2.428 452 I HA 0.160 4.331 4.170 0.001 0.000 0.289 452 I C -0.938 175.057 176.117 -0.203 0.000 1.019 452 I CA -0.522 60.729 61.300 -0.083 0.000 1.351 452 I CB 0.869 38.843 38.000 -0.043 0.000 1.412 452 I HN 0.519 nan 8.210 nan 0.000 0.513 453 Y N 8.003 128.143 120.300 -0.267 0.000 2.331 453 Y HA 0.292 4.843 4.550 0.001 0.000 0.338 453 Y C -0.216 175.426 175.900 -0.431 0.000 0.976 453 Y CA -1.726 56.206 58.100 -0.280 0.000 1.137 453 Y CB 0.492 38.876 38.460 -0.126 0.000 1.172 453 Y HN 0.462 nan 8.280 nan 0.000 0.478 454 Y N 4.590 124.419 120.300 -0.786 0.000 2.969 454 Y HA 0.277 4.828 4.550 0.001 0.000 0.339 454 Y C 1.066 176.757 175.900 -0.349 0.000 1.272 454 Y CA 0.491 58.256 58.100 -0.558 0.000 1.577 454 Y CB -0.101 38.277 38.460 -0.136 0.000 1.234 454 Y HN 0.968 nan 8.280 nan 0.000 0.590 455 G N 2.581 111.282 108.800 -0.164 0.000 2.345 455 G HA2 -0.361 3.600 3.960 0.001 0.000 0.218 455 G HA3 -0.361 3.600 3.960 0.001 0.000 0.218 455 G C 0.734 175.525 174.900 -0.181 0.000 1.058 455 G CA 0.312 45.250 45.100 -0.270 0.000 0.632 455 G HN 0.614 nan 8.290 nan 0.000 0.508 456 D N 1.508 121.820 120.400 -0.147 0.000 2.182 456 D HA -0.025 4.616 4.640 0.001 0.000 0.201 456 D C 2.451 178.788 176.300 0.061 0.000 0.986 456 D CA 1.442 55.480 54.000 0.064 0.000 0.847 456 D CB -0.189 40.790 40.800 0.298 0.000 0.942 456 D HN 0.770 nan 8.370 nan 0.000 0.467 457 E N 0.978 121.059 120.200 -0.199 0.000 2.338 457 E HA -0.148 4.203 4.350 0.001 0.000 0.197 457 E C 1.274 177.920 176.600 0.078 0.000 1.007 457 E CA 0.759 56.895 56.400 -0.440 0.000 0.849 457 E CB -0.189 29.240 29.700 -0.451 0.000 0.774 457 E HN 0.442 nan 8.360 nan 0.000 0.506 458 I N -4.253 116.353 120.570 0.061 0.000 4.102 458 I HA 0.598 4.769 4.170 0.001 0.000 0.325 458 I C 1.087 177.189 176.117 -0.026 0.000 1.471 458 I CA -0.107 61.228 61.300 0.059 0.000 1.133 458 I CB 1.218 39.208 38.000 -0.016 0.000 1.184 458 I HN 0.043 nan 8.210 nan 0.000 0.451 459 G N 0.745 109.501 108.800 -0.074 0.000 2.184 459 G HA2 -0.207 3.754 3.960 0.001 0.000 0.206 459 G HA3 -0.207 3.754 3.960 0.001 0.000 0.206 459 G C 0.258 175.042 174.900 -0.193 0.000 0.995 459 G CA -0.144 44.858 45.100 -0.163 0.000 0.651 459 G HN 0.286 nan 8.290 nan 0.000 0.511 460 M N 1.268 120.761 119.600 -0.178 0.000 2.251 460 M HA 0.417 4.898 4.480 0.001 0.000 0.343 460 M C 0.976 177.178 176.300 -0.165 0.000 1.245 460 M CA 1.149 56.339 55.300 -0.184 0.000 1.061 460 M CB 0.742 33.202 32.600 -0.234 0.000 1.723 460 M HN 0.550 nan 8.290 nan 0.000 0.449 461 A N 2.437 125.173 122.820 -0.141 0.000 2.452 461 A HA 1.019 5.340 4.320 0.001 0.000 0.285 461 A C 0.015 177.548 177.584 -0.085 0.000 1.209 461 A CA -0.116 51.857 52.037 -0.106 0.000 0.940 461 A CB 1.362 20.299 19.000 -0.105 0.000 1.440 461 A HN 0.953 nan 8.150 nan 0.000 0.480 462 G N -2.456 106.309 108.800 -0.059 0.000 2.277 462 G HA2 0.602 4.563 3.960 0.001 0.000 0.272 462 G HA3 0.602 4.563 3.960 0.001 0.000 0.272 462 G C -0.320 174.566 174.900 -0.024 0.000 1.692 462 G CA 0.099 45.170 45.100 -0.048 0.000 0.926 462 G HN 1.804 nan 8.290 nan 0.000 0.720 463 A N 0.993 123.796 122.820 -0.029 0.000 2.261 463 A HA 0.825 5.146 4.320 0.001 0.000 0.275 463 A C 1.334 178.917 177.584 -0.001 0.000 1.246 463 A CA 1.026 53.053 52.037 -0.016 0.000 0.810 463 A CB 0.027 19.012 19.000 -0.025 0.000 1.168 463 A HN 1.995 nan 8.150 nan 0.000 0.506 464 T N -0.871 113.688 114.554 0.009 0.000 2.766 464 T HA 0.240 4.591 4.350 0.001 0.000 0.295 464 T C 0.223 174.931 174.700 0.013 0.000 1.024 464 T CA 0.231 62.346 62.100 0.025 0.000 1.018 464 T CB -0.005 68.885 68.868 0.037 0.000 1.002 464 T HN 0.738 nan 8.240 nan 0.000 0.532 465 D N 2.113 122.534 120.400 0.034 0.000 2.923 465 D HA -0.050 4.590 4.640 0.001 0.000 0.220 465 D C -1.546 174.754 176.300 -0.000 0.000 1.099 465 D CA -0.786 53.241 54.000 0.045 0.000 0.807 465 D CB 0.779 41.634 40.800 0.092 0.000 1.155 465 D HN 0.325 nan 8.370 nan 0.000 0.524 466 P HA 0.132 nan 4.420 nan 0.000 0.274 466 P C 0.328 177.567 177.300 -0.101 0.000 1.352 466 P CA -0.125 62.923 63.100 -0.088 0.000 0.947 466 P CB 0.609 32.187 31.700 -0.203 0.000 1.437 467 D N 0.315 120.662 120.400 -0.088 0.000 2.277 467 D HA -0.106 4.535 4.640 0.001 0.000 0.208 467 D C 1.528 177.792 176.300 -0.059 0.000 0.962 467 D CA 0.758 54.709 54.000 -0.081 0.000 0.865 467 D CB -0.413 40.344 40.800 -0.071 0.000 0.939 467 D HN 0.180 nan 8.370 nan 0.000 0.510 468 C N -0.000 119.292 119.300 -0.012 0.000 2.522 468 C HA 0.258 4.718 4.460 0.001 0.000 0.271 468 C C 1.117 176.145 174.990 0.064 0.000 1.425 468 C CA -0.593 58.457 59.018 0.053 0.000 1.751 468 C CB -1.117 26.685 27.740 0.104 0.000 1.775 468 C HN 0.086 nan 8.230 nan 0.000 0.557 469 R N 1.251 121.731 120.500 -0.034 0.000 3.311 469 R HA 0.303 4.644 4.340 0.001 0.000 0.332 469 R C -0.144 176.081 176.300 -0.124 0.000 1.317 469 R CA -0.194 55.857 56.100 -0.082 0.000 1.192 469 R CB -0.100 30.010 30.300 -0.317 0.000 1.454 469 R HN 0.602 nan 8.270 nan 0.000 0.605 470 R N 1.942 122.340 120.500 -0.169 0.000 2.707 470 R HA 0.164 4.505 4.340 0.001 0.000 0.270 470 R C -2.053 174.006 176.300 -0.403 0.000 1.083 470 R CA -1.537 54.365 56.100 -0.330 0.000 1.182 470 R CB -0.001 30.129 30.300 -0.283 0.000 1.084 470 R HN 0.064 nan 8.270 nan 0.000 0.528 471 P HA -0.053 nan 4.420 nan 0.000 0.271 471 P C -0.604 176.424 177.300 -0.453 0.000 1.216 471 P CA -0.216 62.261 63.100 -1.038 0.000 0.776 471 P CB 0.583 31.104 31.700 -1.965 0.000 0.881 472 M N 4.405 123.936 119.600 -0.116 0.000 2.269 472 M HA 0.101 4.582 4.480 0.001 0.000 0.350 472 M C -0.402 175.737 176.300 -0.269 0.000 1.429 472 M CA 0.238 55.457 55.300 -0.135 0.000 1.063 472 M CB -0.569 31.863 32.600 -0.281 0.000 1.841 472 M HN 0.094 nan 8.290 nan 0.000 0.455 473 I N 6.601 126.968 120.570 -0.338 0.000 2.517 473 I HA -0.057 4.114 4.170 0.001 0.000 0.285 473 I C 0.020 175.915 176.117 -0.370 0.000 1.106 473 I CA 0.544 61.712 61.300 -0.219 0.000 1.402 473 I CB -0.831 37.069 38.000 -0.167 0.000 1.399 473 I HN 0.958 nan 8.210 nan 0.000 0.535 474 W N 3.031 124.302 121.300 -0.047 0.000 2.975 474 W HA 0.212 4.873 4.660 0.001 0.000 0.316 474 W C 0.725 177.157 176.519 -0.145 0.000 1.131 474 W CA -0.269 56.971 57.345 -0.175 0.000 1.624 474 W CB 0.628 29.941 29.460 -0.245 0.000 1.038 474 W HN 0.433 nan 8.180 nan 0.000 0.571 475 E N 2.013 122.283 120.200 0.117 0.000 2.265 475 E HA -0.064 4.287 4.350 0.001 0.000 0.272 475 E C 1.178 177.795 176.600 0.028 0.000 1.067 475 E CA -0.008 56.428 56.400 0.059 0.000 0.900 475 E CB 0.768 30.495 29.700 0.045 0.000 1.017 475 E HN 0.170 nan 8.360 nan 0.000 0.431 476 E N 3.328 123.542 120.200 0.023 0.000 2.095 476 E HA -0.359 3.992 4.350 0.001 0.000 0.212 476 E C 1.202 177.809 176.600 0.011 0.000 1.044 476 E CA 2.055 58.463 56.400 0.013 0.000 0.857 476 E CB 0.180 29.891 29.700 0.019 0.000 0.764 476 E HN 0.311 nan 8.360 nan 0.000 0.462 477 K N 0.610 121.018 120.400 0.013 0.000 2.044 477 K HA -0.167 4.154 4.320 0.001 0.000 0.210 477 K C 1.889 178.492 176.600 0.005 0.000 1.049 477 K CA 1.393 57.687 56.287 0.012 0.000 0.927 477 K CB -0.152 32.355 32.500 0.012 0.000 0.713 477 K HN 0.039 nan 8.250 nan 0.000 0.443 478 E N 1.074 121.275 120.200 0.000 0.000 2.516 478 E HA -0.015 4.335 4.350 0.001 0.000 0.199 478 E C -0.343 176.239 176.600 -0.030 0.000 1.069 478 E CA 0.480 56.873 56.400 -0.012 0.000 0.876 478 E CB -0.135 29.560 29.700 -0.008 0.000 0.843 478 E HN 0.459 nan 8.360 nan 0.000 0.530 479 Q N 0.092 119.877 119.800 -0.025 0.000 2.342 479 Q HA 0.289 4.630 4.340 0.001 0.000 0.267 479 Q C -0.177 175.826 176.000 0.005 0.000 1.038 479 Q CA -0.733 55.049 55.803 -0.034 0.000 0.832 479 Q CB 1.132 29.836 28.738 -0.057 0.000 1.323 479 Q HN -0.176 nan 8.270 nan 0.000 0.448 480 N N 2.230 120.941 118.700 0.018 0.000 2.671 480 N HA -0.011 4.730 4.740 0.001 0.000 0.274 480 N C 0.328 175.922 175.510 0.141 0.000 1.188 480 N CA 0.131 53.218 53.050 0.060 0.000 1.065 480 N CB 0.312 38.824 38.487 0.042 0.000 1.415 480 N HN 0.461 nan 8.380 nan 0.000 0.511 481 R N 1.350 121.934 120.500 0.140 0.000 2.152 481 R HA -0.045 4.295 4.340 0.001 0.000 0.232 481 R C 1.796 178.258 176.300 0.269 0.000 1.117 481 R CA 0.916 57.154 56.100 0.229 0.000 0.981 481 R CB -0.927 29.478 30.300 0.175 0.000 0.870 481 R HN 0.491 nan 8.270 nan 0.000 0.451 482 G N 1.089 110.002 108.800 0.187 0.000 2.418 482 G HA2 -0.209 3.751 3.960 0.001 0.000 0.217 482 G HA3 -0.209 3.751 3.960 0.001 0.000 0.217 482 G C 1.469 176.510 174.900 0.234 0.000 1.158 482 G CA 0.067 45.267 45.100 0.166 0.000 0.771 482 G HN 0.236 nan 8.290 nan 0.000 0.545 483 L N -0.573 120.812 121.223 0.269 0.000 2.291 483 L HA 0.156 4.497 4.340 0.001 0.000 0.214 483 L C 2.424 179.617 176.870 0.537 0.000 1.120 483 L CA 0.799 55.883 54.840 0.407 0.000 0.799 483 L CB -0.188 42.088 42.059 0.362 0.000 0.925 483 L HN 0.356 nan 8.230 nan 0.000 0.446 484 F N 0.602 120.708 119.950 0.260 0.000 2.149 484 F HA -0.139 4.389 4.527 0.001 0.000 0.294 484 F C 2.434 178.366 175.800 0.222 0.000 1.095 484 F CA 1.001 59.127 58.000 0.209 0.000 1.276 484 F CB 0.112 39.198 39.000 0.143 0.000 1.023 484 F HN -0.010 nan 8.300 nan 0.000 0.480 485 E N 0.341 120.645 120.200 0.173 0.000 2.204 485 E HA -0.242 4.109 4.350 0.001 0.000 0.195 485 E C 2.004 178.675 176.600 0.118 0.000 0.990 485 E CA 1.119 57.555 56.400 0.058 0.000 0.821 485 E CB -0.761 29.018 29.700 0.133 0.000 0.750 485 E HN 0.558 nan 8.360 nan 0.000 0.477 486 F N 0.287 120.279 119.950 0.069 0.000 2.060 486 F HA -0.279 4.249 4.527 0.001 0.000 0.295 486 F C 2.143 177.950 175.800 0.012 0.000 1.120 486 F CA 1.209 59.241 58.000 0.053 0.000 1.205 486 F CB -0.263 38.798 39.000 0.100 0.000 0.986 486 F HN -0.071 nan 8.300 nan 0.000 0.470 487 Y N 1.083 121.323 120.300 -0.099 0.000 2.069 487 Y HA -0.344 4.207 4.550 0.001 0.000 0.278 487 Y C 2.417 178.143 175.900 -0.290 0.000 1.175 487 Y CA 2.284 60.252 58.100 -0.220 0.000 1.134 487 Y CB -0.778 37.628 38.460 -0.090 0.000 0.965 487 Y HN 0.013 nan 8.280 nan 0.000 0.498 488 K N -0.239 120.061 120.400 -0.168 0.000 2.074 488 K HA -0.270 4.051 4.320 0.001 0.000 0.209 488 K C 2.122 178.611 176.600 -0.184 0.000 1.048 488 K CA 1.901 58.042 56.287 -0.243 0.000 0.926 488 K CB -0.231 32.060 32.500 -0.349 0.000 0.713 488 K HN 0.419 nan 8.250 nan 0.000 0.444 489 E N 1.009 121.109 120.200 -0.167 0.000 2.046 489 E HA -0.144 4.207 4.350 0.001 0.000 0.190 489 E C 2.028 178.501 176.600 -0.212 0.000 0.982 489 E CA 0.658 56.970 56.400 -0.147 0.000 0.800 489 E CB 0.025 29.676 29.700 -0.080 0.000 0.756 489 E HN 0.186 nan 8.360 nan 0.000 0.449 490 L N 0.829 121.852 121.223 -0.335 0.000 2.043 490 L HA -0.251 4.090 4.340 0.001 0.000 0.212 490 L C 2.570 179.250 176.870 -0.316 0.000 1.075 490 L CA 1.210 55.825 54.840 -0.375 0.000 0.752 490 L CB -0.446 41.272 42.059 -0.569 0.000 0.891 490 L HN 0.293 nan 8.230 nan 0.000 0.432 491 I N -0.846 119.548 120.570 -0.293 0.000 2.286 491 I HA -0.261 3.910 4.170 0.001 0.000 0.248 491 I C 2.722 178.606 176.117 -0.387 0.000 1.115 491 I CA 1.127 62.227 61.300 -0.333 0.000 1.392 491 I CB -0.303 37.562 38.000 -0.226 0.000 1.065 491 I HN 0.213 nan 8.210 nan 0.000 0.418 492 R N 0.392 120.759 120.500 -0.222 0.000 2.115 492 R HA -0.050 4.291 4.340 0.001 0.000 0.226 492 R C 2.326 178.527 176.300 -0.165 0.000 1.100 492 R CA 1.005 57.024 56.100 -0.134 0.000 0.980 492 R CB -0.224 30.022 30.300 -0.090 0.000 0.875 492 R HN 0.362 nan 8.270 nan 0.000 0.445 493 L N 0.200 121.305 121.223 -0.196 0.000 2.017 493 L HA -0.182 4.159 4.340 0.001 0.000 0.208 493 L C 2.754 179.500 176.870 -0.206 0.000 1.073 493 L CA 1.312 56.038 54.840 -0.190 0.000 0.745 493 L CB -0.432 41.522 42.059 -0.175 0.000 0.894 493 L HN 0.168 nan 8.230 nan 0.000 0.432 494 R N -0.885 119.461 120.500 -0.256 0.000 2.133 494 R HA -0.236 4.105 4.340 0.001 0.000 0.247 494 R C 2.356 178.531 176.300 -0.209 0.000 1.151 494 R CA 1.753 57.693 56.100 -0.266 0.000 0.971 494 R CB -0.173 29.916 30.300 -0.352 0.000 0.866 494 R HN 0.453 nan 8.270 nan 0.000 0.447 495 H N -0.520 118.482 119.070 -0.114 0.000 2.372 495 H HA 0.029 4.586 4.556 0.001 0.000 0.301 495 H C 2.144 177.402 175.328 -0.116 0.000 1.065 495 H CA 1.306 57.294 56.048 -0.099 0.000 1.364 495 H CB -0.125 29.587 29.762 -0.083 0.000 1.406 495 H HN 0.205 nan 8.280 nan 0.000 0.521 496 R N 0.162 120.634 120.500 -0.048 0.000 2.120 496 R HA 0.043 4.384 4.340 0.001 0.000 0.234 496 R C 0.380 176.554 176.300 -0.210 0.000 1.123 496 R CA 0.463 56.481 56.100 -0.136 0.000 0.975 496 R CB 0.074 30.258 30.300 -0.193 0.000 0.866 496 R HN 0.089 nan 8.270 nan 0.000 0.446 497 L N 0.488 121.581 121.223 -0.217 0.000 2.283 497 L HA 0.289 4.629 4.340 0.001 0.000 0.281 497 L C 0.919 177.706 176.870 -0.137 0.000 1.033 497 L CA -0.587 54.106 54.840 -0.245 0.000 0.848 497 L CB 1.622 43.523 42.059 -0.262 0.000 1.226 497 L HN 0.125 nan 8.230 nan 0.000 0.429 498 A N 1.964 124.721 122.820 -0.106 0.000 1.933 498 A HA -0.183 4.138 4.320 0.001 0.000 0.218 498 A C 2.408 179.954 177.584 -0.063 0.000 1.175 498 A CA 1.949 53.946 52.037 -0.067 0.000 0.628 498 A CB -0.283 18.686 19.000 -0.052 0.000 0.814 498 A HN 0.748 nan 8.150 nan 0.000 0.444 499 S N -0.077 115.586 115.700 -0.062 0.000 2.380 499 S HA -0.191 4.280 4.470 0.001 0.000 0.229 499 S C 1.886 176.457 174.600 -0.049 0.000 1.043 499 S CA 1.798 59.968 58.200 -0.050 0.000 1.038 499 S CB -0.568 62.616 63.200 -0.027 0.000 0.872 499 S HN 0.513 nan 8.310 nan 0.000 0.456 500 L N 0.883 122.070 121.223 -0.060 0.000 2.217 500 L HA -0.009 4.332 4.340 0.001 0.000 0.211 500 L C 2.907 179.730 176.870 -0.078 0.000 1.107 500 L CA 1.530 56.334 54.840 -0.061 0.000 0.783 500 L CB -0.888 41.122 42.059 -0.082 0.000 0.919 500 L HN 0.581 nan 8.230 nan 0.000 0.442 501 T N -3.776 110.735 114.554 -0.073 0.000 3.031 501 T HA 0.014 4.365 4.350 0.001 0.000 0.254 501 T C 1.914 176.569 174.700 -0.076 0.000 1.060 501 T CA 0.198 62.257 62.100 -0.069 0.000 1.135 501 T CB 0.149 68.997 68.868 -0.033 0.000 0.896 501 T HN 0.164 nan 8.240 nan 0.000 0.472 502 R N 0.318 120.776 120.500 -0.069 0.000 2.469 502 R HA 0.414 4.755 4.340 0.001 0.000 0.250 502 R C 1.284 177.542 176.300 -0.070 0.000 0.909 502 R CA 0.023 56.081 56.100 -0.071 0.000 1.050 502 R CB 0.782 31.048 30.300 -0.058 0.000 1.256 502 R HN 0.441 nan 8.270 nan 0.000 0.550 503 G N 0.545 109.306 108.800 -0.065 0.000 2.616 503 G HA2 0.034 3.995 3.960 0.001 0.000 0.268 503 G HA3 0.034 3.995 3.960 0.001 0.000 0.268 503 G C -0.265 174.599 174.900 -0.061 0.000 1.213 503 G CA -0.644 44.421 45.100 -0.058 0.000 0.926 503 G HN 0.387 nan 8.290 nan 0.000 0.523 504 N N -2.552 116.121 118.700 -0.044 0.000 2.374 504 N HA 0.458 5.199 4.740 0.001 0.000 0.284 504 N C -0.787 174.715 175.510 -0.012 0.000 1.280 504 N CA -0.734 52.292 53.050 -0.041 0.000 0.963 504 N CB 1.064 39.539 38.487 -0.020 0.000 1.141 504 N HN 0.292 nan 8.380 nan 0.000 0.565 505 V N -1.203 118.710 119.914 -0.001 0.000 2.789 505 V HA 0.579 4.699 4.120 0.001 0.000 0.311 505 V C -0.542 175.622 176.094 0.117 0.000 1.073 505 V CA -1.013 61.340 62.300 0.088 0.000 0.921 505 V CB 1.562 33.405 31.823 0.033 0.000 1.009 505 V HN 0.675 nan 8.190 nan 0.000 0.426 506 R N 1.272 121.883 120.500 0.185 0.000 2.686 506 R HA 0.563 4.904 4.340 0.001 0.000 0.283 506 R C -0.509 175.944 176.300 0.256 0.000 0.978 506 R CA -0.684 55.518 56.100 0.171 0.000 0.897 506 R CB 2.288 32.662 30.300 0.124 0.000 1.192 506 R HN 0.757 nan 8.270 nan 0.000 0.457 507 S N 1.438 117.286 115.700 0.247 0.000 2.552 507 S HA -0.025 4.446 4.470 0.001 0.000 0.289 507 S C 0.323 175.092 174.600 0.280 0.000 1.304 507 S CA -0.025 58.334 58.200 0.266 0.000 1.063 507 S CB 0.351 63.702 63.200 0.251 0.000 0.848 507 S HN 0.655 nan 8.310 nan 0.000 0.499 508 W N 3.626 124.930 121.300 0.006 0.000 2.893 508 W HA 0.323 4.984 4.660 0.001 0.000 0.253 508 W C 0.399 176.948 176.519 0.051 0.000 1.171 508 W CA 0.454 57.803 57.345 0.007 0.000 1.480 508 W CB -0.039 29.401 29.460 -0.034 0.000 0.963 508 W HN 0.781 nan 8.180 nan 0.000 0.637 509 H N -0.220 118.755 119.070 -0.158 0.000 3.046 509 H HA 0.575 5.132 4.556 0.001 0.000 0.363 509 H C -1.477 173.793 175.328 -0.096 0.000 1.203 509 H CA -0.248 55.669 56.048 -0.219 0.000 1.169 509 H CB 1.805 31.299 29.762 -0.447 0.000 1.851 509 H HN -0.045 nan 8.280 nan 0.000 0.546 510 A N 3.858 126.480 122.820 -0.329 0.000 2.547 510 A HA 0.386 4.707 4.320 0.001 0.000 0.279 510 A C -1.701 175.773 177.584 -0.182 0.000 1.088 510 A CA -0.497 51.522 52.037 -0.031 0.000 0.796 510 A CB 0.735 19.828 19.000 0.155 0.000 1.308 510 A HN 0.709 nan 8.150 nan 0.000 0.415 511 D N 2.511 122.862 120.400 -0.082 0.000 2.420 511 D HA 0.274 4.915 4.640 0.001 0.000 0.255 511 D C 1.116 177.359 176.300 -0.096 0.000 1.185 511 D CA -0.456 53.476 54.000 -0.113 0.000 0.904 511 D CB 1.022 41.811 40.800 -0.019 0.000 1.102 511 D HN 0.508 nan 8.370 nan 0.000 0.534 512 K N 2.045 122.310 120.400 -0.225 0.000 2.242 512 K HA -0.332 3.989 4.320 0.001 0.000 0.206 512 K C 1.354 177.836 176.600 -0.198 0.000 1.045 512 K CA 1.295 57.337 56.287 -0.408 0.000 0.930 512 K CB 0.061 32.071 32.500 -0.817 0.000 0.726 512 K HN 0.294 nan 8.250 nan 0.000 0.462 513 Q N 0.855 120.585 119.800 -0.116 0.000 1.990 513 Q HA 0.129 4.470 4.340 0.001 0.000 0.195 513 Q C 2.264 178.246 176.000 -0.029 0.000 0.977 513 Q CA 1.854 57.620 55.803 -0.061 0.000 0.828 513 Q CB -0.483 28.225 28.738 -0.050 0.000 0.896 513 Q HN 0.416 nan 8.270 nan 0.000 0.447 514 A N 0.505 123.316 122.820 -0.015 0.000 2.070 514 A HA -0.173 4.148 4.320 0.001 0.000 0.220 514 A C 0.712 178.302 177.584 0.009 0.000 1.159 514 A CA 1.201 53.234 52.037 -0.006 0.000 0.656 514 A CB -0.689 18.313 19.000 0.004 0.000 0.800 514 A HN 0.724 nan 8.150 nan 0.000 0.453 515 N N -1.932 116.791 118.700 0.038 0.000 2.758 515 N HA -0.156 4.585 4.740 0.001 0.000 0.248 515 N C -0.557 175.042 175.510 0.149 0.000 1.076 515 N CA 0.441 53.551 53.050 0.100 0.000 0.696 515 N CB -1.058 37.461 38.487 0.052 0.000 0.979 515 N HN 0.518 nan 8.380 nan 0.000 0.550 516 L N 2.219 123.533 121.223 0.151 0.000 2.277 516 L HA 0.378 4.718 4.340 0.001 0.000 0.284 516 L C -0.699 176.333 176.870 0.271 0.000 1.028 516 L CA -0.749 54.193 54.840 0.169 0.000 0.835 516 L CB 0.585 42.693 42.059 0.082 0.000 1.215 516 L HN 0.180 nan 8.230 nan 0.000 0.425 517 Y N 4.762 125.177 120.300 0.191 0.000 2.360 517 Y HA 0.740 5.291 4.550 0.001 0.000 0.337 517 Y C -0.403 175.660 175.900 0.272 0.000 1.039 517 Y CA -0.543 57.682 58.100 0.208 0.000 1.109 517 Y CB 1.576 40.138 38.460 0.170 0.000 1.201 517 Y HN 0.604 nan 8.280 nan 0.000 0.458 518 A N 6.072 128.654 122.820 -0.396 0.000 2.454 518 A HA 0.813 5.134 4.320 0.001 0.000 0.302 518 A C -1.817 175.673 177.584 -0.157 0.000 1.079 518 A CA -0.543 51.371 52.037 -0.205 0.000 0.731 518 A CB 0.926 19.782 19.000 -0.241 0.000 1.299 518 A HN 0.835 nan 8.150 nan 0.000 0.413 519 F N -0.812 119.164 119.950 0.043 0.000 2.685 519 F HA 0.836 5.364 4.527 0.001 0.000 0.315 519 F C -1.309 174.623 175.800 0.220 0.000 1.126 519 F CA -1.455 56.637 58.000 0.153 0.000 0.950 519 F CB 1.325 40.453 39.000 0.214 0.000 1.360 519 F HN 0.338 nan 8.300 nan 0.000 0.469 520 V N 2.574 122.622 119.914 0.224 0.000 2.525 520 V HA 0.515 4.636 4.120 0.001 0.000 0.299 520 V C -0.689 175.480 176.094 0.125 0.000 1.034 520 V CA -0.819 61.487 62.300 0.011 0.000 0.863 520 V CB 1.668 33.386 31.823 -0.174 0.000 0.999 520 V HN 0.701 nan 8.190 nan 0.000 0.423 521 R N 2.570 123.119 120.500 0.081 0.000 2.308 521 R HA 0.674 5.015 4.340 0.001 0.000 0.305 521 R C -0.381 175.933 176.300 0.024 0.000 1.053 521 R CA -0.285 55.858 56.100 0.072 0.000 0.957 521 R CB 1.294 31.631 30.300 0.061 0.000 1.022 521 R HN 0.656 nan 8.270 nan 0.000 0.461 522 T N 1.418 115.962 114.554 -0.016 0.000 2.928 522 T HA 0.324 4.675 4.350 0.001 0.000 0.296 522 T C -1.128 173.505 174.700 -0.112 0.000 1.000 522 T CA -0.566 61.456 62.100 -0.130 0.000 0.989 522 T CB 2.066 70.875 68.868 -0.099 0.000 1.005 522 T HN 0.309 nan 8.240 nan 0.000 0.442 523 V N 4.325 124.159 119.914 -0.133 0.000 2.638 523 V HA 0.651 4.771 4.120 0.001 0.000 0.306 523 V C 0.025 176.053 176.094 -0.110 0.000 1.052 523 V CA -0.076 62.168 62.300 -0.094 0.000 0.885 523 V CB 1.541 33.324 31.823 -0.066 0.000 0.999 523 V HN 0.958 nan 8.190 nan 0.000 0.424 524 Q N 3.928 123.677 119.800 -0.086 0.000 1.675 524 Q HA -0.239 4.102 4.340 0.001 0.000 0.365 524 Q C 0.660 176.589 176.000 -0.118 0.000 0.856 524 Q CA 2.405 58.165 55.803 -0.072 0.000 0.832 524 Q CB -1.179 27.532 28.738 -0.046 0.000 3.604 524 Q HN 0.898 nan 8.270 nan 0.000 0.678 525 D N 0.305 120.647 120.400 -0.098 0.000 2.339 525 D HA 0.029 4.670 4.640 0.001 0.000 0.217 525 D C 0.015 176.204 176.300 -0.186 0.000 1.050 525 D CA 0.215 54.146 54.000 -0.114 0.000 0.856 525 D CB 0.064 40.847 40.800 -0.029 0.000 0.922 525 D HN 0.292 nan 8.370 nan 0.000 0.518 526 Q N 0.841 120.550 119.800 -0.151 0.000 2.297 526 Q HA 0.048 4.389 4.340 0.001 0.000 0.267 526 Q C -0.976 174.876 176.000 -0.247 0.000 1.006 526 Q CA 0.194 55.971 55.803 -0.045 0.000 0.896 526 Q CB 0.333 29.112 28.738 0.069 0.000 1.186 526 Q HN 0.162 nan 8.270 nan 0.000 0.392 527 H N 1.544 120.674 119.070 0.101 0.000 2.505 527 H HA 0.454 5.010 4.556 0.001 0.000 0.338 527 H C -1.070 174.336 175.328 0.131 0.000 1.057 527 H CA -0.659 55.424 56.048 0.059 0.000 1.202 527 H CB 1.639 31.402 29.762 0.002 0.000 1.466 527 H HN 0.304 nan 8.280 nan 0.000 0.499 528 V N 2.951 122.960 119.914 0.159 0.000 2.448 528 V HA 0.586 4.706 4.120 0.001 0.000 0.295 528 V C 0.452 176.519 176.094 -0.045 0.000 1.025 528 V CA -0.734 61.640 62.300 0.123 0.000 0.859 528 V CB 1.816 33.686 31.823 0.078 0.000 0.988 528 V HN 0.956 nan 8.190 nan 0.000 0.431 529 G N 3.560 112.295 108.800 -0.107 0.000 2.487 529 G HA2 0.610 4.571 3.960 0.001 0.000 0.314 529 G HA3 0.610 4.571 3.960 0.001 0.000 0.314 529 G C -1.061 173.790 174.900 -0.080 0.000 1.267 529 G CA -0.409 44.550 45.100 -0.235 0.000 0.937 529 G HN 0.528 nan 8.290 nan 0.000 0.481 530 V N 2.752 122.504 119.914 -0.270 0.000 2.435 530 V HA 0.619 4.739 4.120 0.001 0.000 0.290 530 V C 0.301 176.363 176.094 -0.054 0.000 1.030 530 V CA -0.730 61.424 62.300 -0.242 0.000 0.881 530 V CB 1.422 32.914 31.823 -0.553 0.000 0.983 530 V HN 0.819 nan 8.190 nan 0.000 0.445 531 V N 4.220 124.168 119.914 0.057 0.000 2.604 531 V HA 0.732 4.853 4.120 0.001 0.000 0.305 531 V C -0.862 175.327 176.094 0.159 0.000 1.043 531 V CA -0.698 61.638 62.300 0.060 0.000 0.888 531 V CB 1.744 33.525 31.823 -0.070 0.000 0.995 531 V HN 0.665 nan 8.190 nan 0.000 0.429 532 L N 3.925 125.286 121.223 0.230 0.000 2.342 532 L HA 0.531 4.872 4.340 0.001 0.000 0.276 532 L C -0.192 176.814 176.870 0.226 0.000 0.997 532 L CA -0.482 54.549 54.840 0.319 0.000 0.838 532 L CB 1.530 43.916 42.059 0.544 0.000 1.224 532 L HN 0.770 nan 8.230 nan 0.000 0.416 533 N N 2.283 121.074 118.700 0.152 0.000 3.034 533 N HA 0.006 4.747 4.740 0.001 0.000 0.265 533 N C 0.120 175.661 175.510 0.052 0.000 1.166 533 N CA -0.076 53.015 53.050 0.069 0.000 1.081 533 N CB 0.114 38.604 38.487 0.004 0.000 1.378 533 N HN 0.448 nan 8.380 nan 0.000 0.520 534 N N 2.089 120.835 118.700 0.078 0.000 3.259 534 N HA 0.111 4.851 4.740 0.001 0.000 0.308 534 N C -0.982 174.468 175.510 -0.100 0.000 1.334 534 N CA -0.042 53.046 53.050 0.063 0.000 1.202 534 N CB -0.120 38.251 38.487 -0.194 0.000 1.485 534 N HN 0.300 nan 8.380 nan 0.000 0.549 535 R N -0.836 119.448 120.500 -0.359 0.000 2.698 535 R HA 0.362 4.703 4.340 0.001 0.000 0.275 535 R C 0.857 176.627 176.300 -0.884 0.000 1.001 535 R CA -0.585 55.258 56.100 -0.428 0.000 0.896 535 R CB 1.274 31.444 30.300 -0.216 0.000 1.218 535 R HN 0.346 nan 8.270 nan 0.000 0.462 536 G N 1.576 109.992 108.800 -0.639 0.000 2.448 536 G HA2 -0.194 3.766 3.960 0.001 0.000 0.219 536 G HA3 -0.194 3.766 3.960 0.001 0.000 0.219 536 G C 0.502 175.218 174.900 -0.306 0.000 1.127 536 G CA 0.752 45.554 45.100 -0.497 0.000 0.766 536 G HN 0.660 nan 8.290 nan 0.000 0.552 537 E N -0.144 119.915 120.200 -0.235 0.000 2.803 537 E HA 0.437 4.788 4.350 0.001 0.000 0.250 537 E C -0.605 175.910 176.600 -0.142 0.000 1.102 537 E CA -0.941 55.373 56.400 -0.142 0.000 1.017 537 E CB 0.799 30.442 29.700 -0.095 0.000 1.346 537 E HN 0.058 nan 8.360 nan 0.000 0.532 538 K N 0.437 120.782 120.400 -0.092 0.000 2.274 538 K HA 0.210 4.531 4.320 0.001 0.000 0.262 538 K C -0.795 175.765 176.600 -0.065 0.000 0.961 538 K CA -0.364 55.877 56.287 -0.076 0.000 0.833 538 K CB 1.216 33.685 32.500 -0.051 0.000 1.102 538 K HN 0.505 nan 8.250 nan 0.000 0.436 539 Q N 1.858 121.618 119.800 -0.066 0.000 2.496 539 Q HA 0.431 4.771 4.340 0.001 0.000 0.286 539 Q C -0.893 175.070 176.000 -0.062 0.000 1.103 539 Q CA -1.269 54.497 55.803 -0.061 0.000 0.813 539 Q CB 2.112 30.812 28.738 -0.063 0.000 1.444 539 Q HN 0.498 nan 8.270 nan 0.000 0.443 540 T N 0.928 115.444 114.554 -0.064 0.000 2.885 540 T HA 0.654 5.005 4.350 0.001 0.000 0.285 540 T C -0.565 174.072 174.700 -0.105 0.000 1.019 540 T CA -0.636 61.419 62.100 -0.076 0.000 1.010 540 T CB 1.506 70.340 68.868 -0.057 0.000 1.022 540 T HN 0.506 nan 8.240 nan 0.000 0.466 541 V N 0.436 120.260 119.914 -0.150 0.000 3.087 541 V HA 0.732 4.853 4.120 0.001 0.000 0.306 541 V C -1.418 174.527 176.094 -0.248 0.000 1.187 541 V CA -1.234 60.927 62.300 -0.232 0.000 0.999 541 V CB 1.880 33.470 31.823 -0.388 0.000 1.049 541 V HN 0.746 nan 8.190 nan 0.000 0.431 542 L N 3.416 124.481 121.223 -0.262 0.000 2.318 542 L HA 0.561 4.902 4.340 0.001 0.000 0.277 542 L C -0.589 176.105 176.870 -0.294 0.000 1.008 542 L CA -0.179 54.540 54.840 -0.203 0.000 0.846 542 L CB 1.362 43.364 42.059 -0.095 0.000 1.220 542 L HN 0.543 nan 8.230 nan 0.000 0.423 543 L N 3.552 124.561 121.223 -0.356 0.000 2.292 543 L HA 0.346 4.687 4.340 0.001 0.000 0.284 543 L C 0.050 176.854 176.870 -0.110 0.000 1.065 543 L CA -0.950 53.626 54.840 -0.439 0.000 0.806 543 L CB 1.067 42.605 42.059 -0.868 0.000 1.175 543 L HN 0.471 nan 8.230 nan 0.000 0.431 544 Q N 3.517 123.320 119.800 0.004 0.000 2.276 544 Q HA 0.148 4.489 4.340 0.001 0.000 0.267 544 Q C -0.390 175.800 176.000 0.316 0.000 1.135 544 Q CA 0.022 55.910 55.803 0.142 0.000 0.910 544 Q CB 0.700 29.520 28.738 0.136 0.000 1.271 544 Q HN 0.473 nan 8.270 nan 0.000 0.417 545 V N 1.676 121.740 119.914 0.249 0.000 2.325 545 V HA 0.551 4.672 4.120 0.001 0.000 0.280 545 V C -2.415 173.799 176.094 0.200 0.000 1.016 545 V CA -2.358 60.096 62.300 0.256 0.000 0.818 545 V CB 1.319 33.298 31.823 0.260 0.000 1.019 545 V HN 0.426 nan 8.190 nan 0.000 0.434 546 P HA 0.214 nan 4.420 nan 0.000 0.272 546 P C 0.802 178.152 177.300 0.084 0.000 1.223 546 P CA 0.035 63.191 63.100 0.092 0.000 0.784 546 P CB 1.163 32.896 31.700 0.056 0.000 0.923 547 E N 0.630 120.866 120.200 0.060 0.000 2.171 547 E HA -0.175 4.176 4.350 0.001 0.000 0.197 547 E C 1.888 178.485 176.600 -0.006 0.000 0.997 547 E CA 1.420 57.837 56.400 0.029 0.000 0.810 547 E CB -0.385 29.327 29.700 0.021 0.000 0.738 547 E HN 0.459 nan 8.360 nan 0.000 0.467 548 S N 0.076 115.774 115.700 -0.002 0.000 2.365 548 S HA -0.149 4.322 4.470 0.001 0.000 0.225 548 S C 1.934 176.509 174.600 -0.041 0.000 1.039 548 S CA 1.582 59.773 58.200 -0.016 0.000 1.033 548 S CB -0.415 62.783 63.200 -0.002 0.000 0.887 548 S HN 0.384 nan 8.310 nan 0.000 0.447 549 G N 0.106 108.862 108.800 -0.074 0.000 2.916 549 G HA2 0.426 4.387 3.960 0.001 0.000 0.205 549 G HA3 0.426 4.387 3.960 0.001 0.000 0.205 549 G C 0.743 175.576 174.900 -0.112 0.000 1.163 549 G CA 0.400 45.405 45.100 -0.158 0.000 0.821 549 G HN 1.156 nan 8.290 nan 0.000 0.515 550 G N -0.087 108.617 108.800 -0.160 0.000 2.746 550 G HA2 -0.063 3.898 3.960 0.001 0.000 0.685 550 G HA3 -0.063 3.898 3.960 0.001 0.000 0.685 550 G C 0.356 174.969 174.900 -0.478 0.000 1.350 550 G CA 0.188 45.067 45.100 -0.369 0.000 0.837 550 G HN 0.929 nan 8.290 nan 0.000 0.564 551 K N -2.021 117.938 120.400 -0.734 0.000 2.589 551 K HA 0.314 4.635 4.320 0.001 0.000 0.218 551 K C 0.237 176.377 176.600 -0.768 0.000 1.468 551 K CA 0.611 56.577 56.287 -0.535 0.000 1.002 551 K CB 0.913 33.320 32.500 -0.155 0.000 1.200 551 K HN 0.624 nan 8.250 nan 0.000 0.614 552 T N 1.629 115.580 114.554 -1.005 0.000 2.812 552 T HA 0.440 4.791 4.350 0.001 0.000 0.282 552 T C -1.222 172.912 174.700 -0.943 0.000 0.990 552 T CA -0.590 61.087 62.100 -0.704 0.000 0.960 552 T CB 1.008 69.682 68.868 -0.322 0.000 0.948 552 T HN 0.160 nan 8.240 nan 0.000 0.438 553 W N 2.175 123.359 121.300 -0.193 0.000 2.799 553 W HA 0.670 5.331 4.660 0.001 0.000 0.349 553 W C -0.948 175.485 176.519 -0.143 0.000 1.100 553 W CA -1.000 56.248 57.345 -0.163 0.000 1.174 553 W CB 1.907 31.317 29.460 -0.085 0.000 1.427 553 W HN 0.351 nan 8.180 nan 0.000 0.547 554 L N 2.470 123.783 121.223 0.150 0.000 2.333 554 L HA 0.279 4.620 4.340 0.001 0.000 0.280 554 L C -0.241 176.753 176.870 0.207 0.000 1.004 554 L CA -0.114 54.810 54.840 0.141 0.000 0.820 554 L CB 0.883 43.029 42.059 0.145 0.000 1.247 554 L HN 0.204 nan 8.230 nan 0.000 0.416 555 D N 3.538 124.027 120.400 0.150 0.000 2.338 555 D HA 0.039 4.679 4.640 0.001 0.000 0.255 555 D C 0.828 177.206 176.300 0.131 0.000 1.237 555 D CA 0.002 54.081 54.000 0.131 0.000 0.883 555 D CB 1.121 41.978 40.800 0.094 0.000 1.087 555 D HN 0.733 nan 8.370 nan 0.000 0.485 556 C N 3.661 123.041 119.300 0.133 0.000 2.432 556 C HA -0.045 4.416 4.460 0.001 0.000 0.280 556 C C 2.585 177.617 174.990 0.070 0.000 1.353 556 C CA 0.092 59.170 59.018 0.102 0.000 1.766 556 C CB -0.864 26.916 27.740 0.065 0.000 1.924 556 C HN 0.680 nan 8.230 nan 0.000 0.509 557 L N 0.621 121.890 121.223 0.077 0.000 2.249 557 L HA -0.021 4.320 4.340 0.001 0.000 0.207 557 L C 2.697 179.616 176.870 0.082 0.000 1.090 557 L CA 1.848 56.737 54.840 0.081 0.000 0.802 557 L CB -0.607 41.523 42.059 0.117 0.000 0.947 557 L HN 0.493 nan 8.230 nan 0.000 0.453 558 T N -5.244 109.358 114.554 0.080 0.000 3.000 558 T HA 0.290 4.641 4.350 0.001 0.000 0.248 558 T C 1.475 176.216 174.700 0.067 0.000 1.034 558 T CA 0.628 62.771 62.100 0.071 0.000 1.060 558 T CB 0.969 69.877 68.868 0.067 0.000 0.983 558 T HN 0.338 nan 8.240 nan 0.000 0.482 559 G N 1.163 110.008 108.800 0.075 0.000 2.195 559 G HA2 -0.216 3.745 3.960 0.001 0.000 0.224 559 G HA3 -0.216 3.745 3.960 0.001 0.000 0.224 559 G C -0.145 174.797 174.900 0.070 0.000 0.990 559 G CA 0.117 45.262 45.100 0.075 0.000 0.639 559 G HN 0.781 nan 8.290 nan 0.000 0.514 560 E N 0.912 121.151 120.200 0.066 0.000 2.415 560 E HA 0.366 4.717 4.350 0.001 0.000 0.262 560 E C 0.072 176.701 176.600 0.048 0.000 1.038 560 E CA 0.039 56.473 56.400 0.057 0.000 0.921 560 E CB 0.427 30.160 29.700 0.054 0.000 0.950 560 E HN 0.474 nan 8.360 nan 0.000 0.438 561 E N 2.775 122.991 120.200 0.027 0.000 2.179 561 E HA 0.389 4.740 4.350 0.001 0.000 0.275 561 E C -1.239 175.282 176.600 -0.131 0.000 0.945 561 E CA -0.875 55.499 56.400 -0.042 0.000 0.792 561 E CB 1.463 31.148 29.700 -0.025 0.000 1.125 561 E HN 0.299 nan 8.360 nan 0.000 0.397 562 V N 1.437 121.218 119.914 -0.223 0.000 2.876 562 V HA 0.601 4.722 4.120 0.001 0.000 0.312 562 V C -1.246 174.716 176.094 -0.221 0.000 1.085 562 V CA -0.769 61.455 62.300 -0.125 0.000 0.945 562 V CB 1.952 33.817 31.823 0.070 0.000 1.017 562 V HN 0.743 nan 8.190 nan 0.000 0.428 563 H N 2.286 121.503 119.070 0.244 0.000 2.600 563 H HA 0.673 5.230 4.556 0.001 0.000 0.357 563 H C 0.068 175.553 175.328 0.262 0.000 1.106 563 H CA -0.016 56.160 56.048 0.214 0.000 1.193 563 H CB 2.377 32.200 29.762 0.101 0.000 1.594 563 H HN 1.169 nan 8.280 nan 0.000 0.526 564 G N 3.523 112.582 108.800 0.430 0.000 2.547 564 G HA2 0.152 4.113 3.960 0.001 0.000 0.327 564 G HA3 0.152 4.113 3.960 0.001 0.000 0.327 564 G C 0.047 175.063 174.900 0.194 0.000 1.118 564 G CA -0.797 44.503 45.100 0.333 0.000 1.022 564 G HN 0.439 nan 8.290 nan 0.000 0.464 565 K N 2.884 123.367 120.400 0.137 0.000 2.349 565 K HA 0.143 4.464 4.320 0.001 0.000 0.289 565 K C -0.089 176.556 176.600 0.075 0.000 1.064 565 K CA -0.032 56.306 56.287 0.084 0.000 0.947 565 K CB 0.684 33.216 32.500 0.053 0.000 1.007 565 K HN 0.677 nan 8.250 nan 0.000 0.478 566 Q N 2.013 121.854 119.800 0.068 0.000 2.434 566 Q HA -0.152 4.189 4.340 0.001 0.000 0.288 566 Q C 0.521 176.561 176.000 0.067 0.000 1.372 566 Q CA 0.469 56.306 55.803 0.056 0.000 0.731 566 Q CB -2.113 26.649 28.738 0.041 0.000 1.126 566 Q HN 1.242 nan 8.270 nan 0.000 0.398 567 G N -0.546 108.307 108.800 0.088 0.000 2.175 567 G HA2 -0.358 3.602 3.960 0.001 0.000 0.265 567 G HA3 -0.358 3.602 3.960 0.001 0.000 0.265 567 G C -0.002 174.965 174.900 0.112 0.000 0.979 567 G CA 0.962 46.123 45.100 0.101 0.000 0.663 567 G HN 0.416 nan 8.290 nan 0.000 0.533 568 Q N -1.245 118.619 119.800 0.107 0.000 2.394 568 Q HA 0.717 5.057 4.340 0.001 0.000 0.273 568 Q C -1.219 174.834 176.000 0.088 0.000 1.089 568 Q CA -1.026 54.824 55.803 0.079 0.000 0.812 568 Q CB 2.479 31.242 28.738 0.042 0.000 1.353 568 Q HN 0.265 nan 8.270 nan 0.000 0.438 569 L N 2.364 123.603 121.223 0.025 0.000 2.343 569 L HA 0.401 4.742 4.340 0.001 0.000 0.278 569 L C -1.082 175.742 176.870 -0.076 0.000 0.996 569 L CA -0.197 54.636 54.840 -0.012 0.000 0.831 569 L CB 1.231 43.223 42.059 -0.111 0.000 1.232 569 L HN 0.379 nan 8.230 nan 0.000 0.413 570 K N 5.112 125.492 120.400 -0.033 0.000 2.248 570 K HA 0.463 4.784 4.320 0.001 0.000 0.281 570 K C -1.744 174.819 176.600 -0.061 0.000 1.054 570 K CA -0.556 55.698 56.287 -0.055 0.000 0.903 570 K CB 0.828 33.316 32.500 -0.020 0.000 1.077 570 K HN 0.507 nan 8.250 nan 0.000 0.474 571 L N 3.340 124.503 121.223 -0.099 0.000 2.436 571 L HA 0.379 4.720 4.340 0.001 0.000 0.268 571 L C -0.920 175.904 176.870 -0.078 0.000 0.974 571 L CA -0.303 54.483 54.840 -0.091 0.000 0.826 571 L CB 2.103 44.074 42.059 -0.146 0.000 1.291 571 L HN 0.586 nan 8.230 nan 0.000 0.406 572 T N 5.014 119.540 114.554 -0.047 0.000 2.791 572 T HA 0.616 4.967 4.350 0.001 0.000 0.288 572 T C -0.369 174.312 174.700 -0.031 0.000 0.999 572 T CA -0.503 61.573 62.100 -0.041 0.000 0.952 572 T CB 1.051 69.904 68.868 -0.026 0.000 0.938 572 T HN 0.141 nan 8.240 nan 0.000 0.444 573 L N 2.612 123.813 121.223 -0.038 0.000 2.334 573 L HA 0.582 4.923 4.340 0.001 0.000 0.272 573 L C 0.697 177.553 176.870 -0.025 0.000 1.020 573 L CA -0.758 54.068 54.840 -0.023 0.000 0.812 573 L CB 1.604 43.648 42.059 -0.025 0.000 1.264 573 L HN 0.525 nan 8.230 nan 0.000 0.439 574 R N 1.759 122.253 120.500 -0.009 0.000 2.543 574 R HA 0.357 4.698 4.340 0.001 0.000 0.268 574 R C -2.205 174.074 176.300 -0.035 0.000 1.067 574 R CA -1.616 54.475 56.100 -0.015 0.000 1.142 574 R CB 0.990 31.294 30.300 0.007 0.000 1.110 574 R HN 0.308 nan 8.270 nan 0.000 0.549 575 P HA -0.082 nan 4.420 nan 0.000 0.262 575 P C -0.985 176.291 177.300 -0.041 0.000 1.182 575 P CA 0.790 63.794 63.100 -0.161 0.000 0.761 575 P CB -0.008 31.613 31.700 -0.132 0.000 0.795 576 Y N -1.210 119.100 120.300 0.015 0.000 4.469 576 Y HA -0.307 4.244 4.550 0.001 0.000 0.220 576 Y C 1.062 176.993 175.900 0.051 0.000 1.078 576 Y CA 0.459 58.580 58.100 0.034 0.000 1.881 576 Y CB -1.927 36.547 38.460 0.025 0.000 1.608 576 Y HN 0.437 nan 8.280 nan 0.000 0.634 577 Q N 1.274 121.153 119.800 0.132 0.000 2.327 577 Q HA 0.493 4.833 4.340 0.001 0.000 0.254 577 Q C 0.536 176.620 176.000 0.140 0.000 0.952 577 Q CA 0.348 56.220 55.803 0.115 0.000 0.884 577 Q CB 1.094 29.872 28.738 0.066 0.000 1.224 577 Q HN 0.350 nan 8.270 nan 0.000 0.422 578 G N 3.454 112.351 108.800 0.161 0.000 2.495 578 G HA2 0.613 4.574 3.960 0.001 0.000 0.318 578 G HA3 0.613 4.574 3.960 0.001 0.000 0.318 578 G C -1.068 173.915 174.900 0.138 0.000 1.257 578 G CA -0.779 44.424 45.100 0.173 0.000 0.962 578 G HN 0.629 nan 8.290 nan 0.000 0.483 579 M N 1.316 120.980 119.600 0.107 0.000 2.528 579 M HA 0.493 4.974 4.480 0.001 0.000 0.321 579 M C -0.739 175.606 176.300 0.076 0.000 1.153 579 M CA -0.526 54.825 55.300 0.085 0.000 0.951 579 M CB 2.750 35.384 32.600 0.057 0.000 1.705 579 M HN 0.231 nan 8.290 nan 0.000 0.451 580 I N 3.900 124.514 120.570 0.074 0.000 2.428 580 I HA 0.251 4.422 4.170 0.001 0.000 0.279 580 I C -1.221 174.955 176.117 0.098 0.000 1.040 580 I CA -0.691 60.643 61.300 0.057 0.000 1.171 580 I CB 0.865 38.888 38.000 0.039 0.000 1.312 580 I HN 0.361 nan 8.210 nan 0.000 0.470 581 L N 5.940 127.221 121.223 0.096 0.000 2.268 581 L HA 0.262 4.602 4.340 0.001 0.000 0.289 581 L C -0.563 176.489 176.870 0.303 0.000 1.064 581 L CA -0.279 54.657 54.840 0.159 0.000 0.824 581 L CB 0.293 42.362 42.059 0.017 0.000 1.202 581 L HN 0.501 nan 8.230 nan 0.000 0.433 582 W N 5.317 126.706 121.300 0.148 0.000 2.338 582 W HA 0.247 4.908 4.660 0.001 0.000 0.307 582 W C 1.216 177.848 176.519 0.188 0.000 1.167 582 W CA -0.963 56.460 57.345 0.130 0.000 1.208 582 W CB 0.654 30.146 29.460 0.053 0.000 1.228 582 W HN 0.714 nan 8.180 nan 0.000 0.499 583 N N 4.452 123.132 118.700 -0.033 0.000 2.471 583 N HA 0.023 4.764 4.740 0.001 0.000 0.205 583 N C 1.358 176.373 175.510 -0.824 0.000 1.251 583 N CA 0.888 53.726 53.050 -0.353 0.000 0.843 583 N CB -0.490 37.962 38.487 -0.058 0.000 1.044 583 N HN 0.958 nan 8.380 nan 0.000 0.461 584 G N 0.108 107.905 108.800 -1.671 0.000 2.322 584 G HA2 -0.373 3.588 3.960 0.001 0.000 0.264 584 G HA3 -0.373 3.588 3.960 0.001 0.000 0.264 584 G C 0.488 174.689 174.900 -1.165 0.000 0.992 584 G CA 0.676 44.585 45.100 -1.985 0.000 0.624 584 G HN 0.508 nan 8.290 nan 0.000 0.543 585 R N 0.000 120.180 120.500 -0.533 0.000 2.786 585 R HA 0.000 4.341 4.340 0.001 0.000 0.208 585 R CA 0.000 56.094 56.100 -0.011 0.000 0.921 585 R CB 0.000 30.284 30.300 -0.026 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535