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 1w2m_1_A DATA FIRST_RESID 1 DATA SEQUENCE SEISRQEFQR RRQALVEQMQ PGSAALIFAA PEVTRSADSE YPYRQNSDFW DATA SEQUENCE YFTGFNEPEA VLVLIKSDDT HNHSVLFNRV RDLTAEIWFG RRLGQDAAPE DATA SEQUENCE KLGVDRALAF SEINQQLYQL LNGLDVVYHA QGEYAYADVI VNSALEKLRK DATA SEQUENCE GSRQNLTAPA TMIDWRPVVH EMRLFKSPEE IAVLRRAGEI TAMAHTRAME DATA SEQUENCE KCRPGMFEYH LEGEIHHEFN RHGARYPSYN TIVGSGENGC ILHYTENEXE DATA SEQUENCE MRDGDLVLID AGCEYKGYAG DITRTFPVNG KFTQAQREIY DIVLESLETS DATA SEQUENCE LRLYRPGTSI LEVTGEVVRI MVSGLVKLGI LKGDVDELIA QNAHRPFFMH DATA SEQUENCE GLSHWLGLDV HDVGVYGQDR SRILEPGMVL TVEPGLYIAP DAEVPEQYRG DATA SEQUENCE IGIRIEDDIV ITETGNENLT ASVVKKPEEI EALMVAARK 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.666 174.600 0.110 0.000 1.055 1 S CA 0.000 58.283 58.200 0.138 0.000 1.107 1 S CB 0.000 63.275 63.200 0.125 0.000 0.593 2 E N 1.361 121.586 120.200 0.041 0.000 2.449 2 E HA 0.634 4.985 4.350 0.001 0.000 0.278 2 E C -1.339 175.239 176.600 -0.038 0.000 0.992 2 E CA -1.117 55.294 56.400 0.017 0.000 0.807 2 E CB 0.837 30.561 29.700 0.040 0.000 1.350 2 E HN 0.357 nan 8.360 nan 0.000 0.462 3 I N 2.710 123.244 120.570 -0.061 0.000 2.371 3 I HA 0.125 4.295 4.170 0.001 0.000 0.290 3 I C 0.765 176.737 176.117 -0.241 0.000 1.028 3 I CA -0.270 60.871 61.300 -0.266 0.000 1.345 3 I CB 0.525 38.204 38.000 -0.536 0.000 1.407 3 I HN 0.681 nan 8.210 nan 0.000 0.501 4 S N 6.774 122.336 115.700 -0.230 0.000 2.614 4 S HA 0.323 4.793 4.470 0.001 0.000 0.265 4 S C 1.208 175.754 174.600 -0.089 0.000 1.303 4 S CA -0.518 57.614 58.200 -0.113 0.000 1.000 4 S CB 1.403 64.549 63.200 -0.091 0.000 0.935 4 S HN 0.582 nan 8.310 nan 0.000 0.551 5 R N 0.621 121.144 120.500 0.037 0.000 2.096 5 R HA -0.123 4.217 4.340 0.001 0.000 0.235 5 R C 2.559 178.878 176.300 0.033 0.000 1.127 5 R CA 1.944 58.105 56.100 0.101 0.000 0.968 5 R CB -0.476 29.855 30.300 0.051 0.000 0.861 5 R HN 0.759 nan 8.270 nan 0.000 0.440 6 Q N 0.035 119.820 119.800 -0.025 0.000 2.170 6 Q HA -0.217 4.123 4.340 0.001 0.000 0.203 6 Q C 1.942 177.894 176.000 -0.079 0.000 0.976 6 Q CA 1.619 57.395 55.803 -0.044 0.000 0.858 6 Q CB -0.002 28.706 28.738 -0.050 0.000 0.907 6 Q HN 0.397 nan 8.270 nan 0.000 0.433 7 E N 0.096 120.202 120.200 -0.156 0.000 2.072 7 E HA -0.151 4.199 4.350 0.001 0.000 0.190 7 E C 1.400 177.835 176.600 -0.275 0.000 0.982 7 E CA 0.701 56.952 56.400 -0.247 0.000 0.803 7 E CB -0.013 29.474 29.700 -0.356 0.000 0.755 7 E HN 0.210 nan 8.360 nan 0.000 0.453 8 F N 1.184 121.021 119.950 -0.189 0.000 2.095 8 F HA -0.185 4.342 4.527 0.000 0.000 0.298 8 F C 2.596 178.306 175.800 -0.150 0.000 1.104 8 F CA 1.558 59.423 58.000 -0.225 0.000 1.232 8 F CB -0.908 37.957 39.000 -0.226 0.000 0.987 8 F HN 0.173 nan 8.300 nan 0.000 0.475 9 Q N 0.681 120.518 119.800 0.063 0.000 2.084 9 Q HA -0.189 4.151 4.340 0.001 0.000 0.202 9 Q C 2.303 178.298 176.000 -0.008 0.000 0.978 9 Q CA 1.697 57.507 55.803 0.011 0.000 0.844 9 Q CB -0.362 28.372 28.738 -0.006 0.000 0.898 9 Q HN 0.322 nan 8.270 nan 0.000 0.426 10 R N -0.626 119.853 120.500 -0.035 0.000 2.096 10 R HA -0.058 4.282 4.340 0.001 0.000 0.235 10 R C 2.267 178.556 176.300 -0.019 0.000 1.127 10 R CA 1.452 57.529 56.100 -0.039 0.000 0.968 10 R CB 0.009 30.270 30.300 -0.065 0.000 0.861 10 R HN 0.211 nan 8.270 nan 0.000 0.440 11 R N -0.373 120.102 120.500 -0.042 0.000 2.066 11 R HA -0.051 4.289 4.340 0.001 0.000 0.232 11 R C 2.423 178.883 176.300 0.266 0.000 1.131 11 R CA 1.525 57.628 56.100 0.006 0.000 0.955 11 R CB -0.187 29.906 30.300 -0.346 0.000 0.851 11 R HN 0.195 nan 8.270 nan 0.000 0.432 12 R N 0.301 120.933 120.500 0.219 0.000 2.083 12 R HA -0.145 4.196 4.340 0.001 0.000 0.237 12 R C 2.312 178.597 176.300 -0.026 0.000 1.137 12 R CA 1.214 57.348 56.100 0.056 0.000 0.951 12 R CB -0.193 30.091 30.300 -0.026 0.000 0.851 12 R HN 0.233 nan 8.270 nan 0.000 0.434 13 Q N -0.041 119.755 119.800 -0.007 0.000 2.167 13 Q HA -0.036 4.305 4.340 0.001 0.000 0.202 13 Q C 2.055 178.049 176.000 -0.011 0.000 0.970 13 Q CA 1.544 57.334 55.803 -0.022 0.000 0.855 13 Q CB -0.145 28.582 28.738 -0.017 0.000 0.911 13 Q HN 0.345 nan 8.270 nan 0.000 0.438 14 A N 0.505 123.339 122.820 0.024 0.000 1.930 14 A HA -0.127 4.193 4.320 0.001 0.000 0.217 14 A C 2.070 179.672 177.584 0.030 0.000 1.175 14 A CA 1.021 53.078 52.037 0.034 0.000 0.627 14 A CB -0.457 18.579 19.000 0.060 0.000 0.815 14 A HN 0.331 nan 8.150 nan 0.000 0.443 15 L N -0.069 121.177 121.223 0.039 0.000 2.027 15 L HA -0.066 4.275 4.340 0.001 0.000 0.206 15 L C 2.326 179.109 176.870 -0.146 0.000 1.074 15 L CA 1.877 56.683 54.840 -0.056 0.000 0.745 15 L CB -0.676 41.263 42.059 -0.200 0.000 0.898 15 L HN 0.126 nan 8.230 nan 0.000 0.433 16 V N 0.111 119.940 119.914 -0.142 0.000 2.392 16 V HA -0.276 3.844 4.120 0.001 0.000 0.249 16 V C 2.662 178.707 176.094 -0.081 0.000 1.059 16 V CA 1.786 64.008 62.300 -0.131 0.000 1.051 16 V CB -0.714 31.048 31.823 -0.102 0.000 0.658 16 V HN 0.609 nan 8.190 nan 0.000 0.455 17 E N 0.362 120.531 120.200 -0.052 0.000 2.153 17 E HA -0.232 4.118 4.350 0.001 0.000 0.194 17 E C 2.146 178.730 176.600 -0.027 0.000 0.988 17 E CA 1.486 57.869 56.400 -0.028 0.000 0.811 17 E CB -0.225 29.465 29.700 -0.016 0.000 0.746 17 E HN 0.646 nan 8.360 nan 0.000 0.466 18 Q N -0.634 119.140 119.800 -0.044 0.000 2.432 18 Q HA 0.102 4.442 4.340 0.001 0.000 0.205 18 Q C 0.248 176.218 176.000 -0.051 0.000 0.945 18 Q CA 0.133 55.916 55.803 -0.034 0.000 0.924 18 Q CB 0.179 28.900 28.738 -0.028 0.000 1.016 18 Q HN 0.379 nan 8.270 nan 0.000 0.503 19 M N 1.004 120.539 119.600 -0.109 0.000 2.241 19 M HA 0.054 4.534 4.480 0.001 0.000 0.335 19 M C 0.209 176.554 176.300 0.074 0.000 1.122 19 M CA 0.280 55.517 55.300 -0.105 0.000 1.164 19 M CB 0.729 33.208 32.600 -0.201 0.000 1.459 19 M HN -0.017 nan 8.290 nan 0.000 0.461 20 Q N 3.080 123.012 119.800 0.221 0.000 2.394 20 Q HA 0.233 4.573 4.340 0.001 0.000 0.248 20 Q C -2.099 173.967 176.000 0.110 0.000 0.992 20 Q CA -1.615 54.279 55.803 0.152 0.000 0.888 20 Q CB 0.311 29.142 28.738 0.155 0.000 1.257 20 Q HN 0.305 nan 8.270 nan 0.000 0.462 21 P HA -0.038 nan 4.420 nan 0.000 0.269 21 P C -0.088 177.243 177.300 0.052 0.000 1.209 21 P CA 0.428 63.555 63.100 0.045 0.000 0.776 21 P CB 0.393 32.106 31.700 0.023 0.000 0.876 22 G N 0.731 109.559 108.800 0.047 0.000 2.324 22 G HA2 -0.063 3.898 3.960 0.001 0.000 0.292 22 G HA3 -0.063 3.898 3.960 0.001 0.000 0.292 22 G C -0.011 174.926 174.900 0.062 0.000 1.079 22 G CA 0.290 45.417 45.100 0.046 0.000 1.026 22 G HN 0.933 nan 8.290 nan 0.000 0.506 23 S N -1.550 114.202 115.700 0.087 0.000 2.607 23 S HA 1.002 5.472 4.470 0.001 0.000 0.273 23 S C -0.387 174.290 174.600 0.128 0.000 1.148 23 S CA 0.114 58.396 58.200 0.137 0.000 0.833 23 S CB 2.440 65.813 63.200 0.288 0.000 1.130 23 S HN 2.082 nan 8.310 nan 0.000 0.470 24 A N 0.360 123.284 122.820 0.174 0.000 2.455 24 A HA 0.920 5.240 4.320 0.001 0.000 0.300 24 A C -0.411 177.319 177.584 0.243 0.000 1.040 24 A CA -0.473 51.639 52.037 0.126 0.000 0.697 24 A CB 1.318 20.357 19.000 0.065 0.000 1.265 24 A HN 1.860 nan 8.150 nan 0.000 0.407 25 A N 2.094 124.992 122.820 0.130 0.000 2.317 25 A HA 0.755 5.076 4.320 0.001 0.000 0.327 25 A C -0.745 176.884 177.584 0.075 0.000 1.178 25 A CA -0.402 51.724 52.037 0.148 0.000 0.817 25 A CB 0.406 19.323 19.000 -0.138 0.000 1.189 25 A HN 0.864 nan 8.150 nan 0.000 0.489 26 L N 3.086 124.460 121.223 0.252 0.000 2.325 26 L HA 0.584 4.924 4.340 0.001 0.000 0.281 26 L C -1.002 176.087 176.870 0.365 0.000 1.004 26 L CA -0.237 54.727 54.840 0.207 0.000 0.823 26 L CB 1.392 43.633 42.059 0.303 0.000 1.236 26 L HN 0.572 nan 8.230 nan 0.000 0.415 27 I N 2.897 123.556 120.570 0.148 0.000 2.447 27 I HA 0.401 4.572 4.170 0.001 0.000 0.287 27 I C -0.821 175.614 176.117 0.529 0.000 1.023 27 I CA -0.203 61.332 61.300 0.391 0.000 1.083 27 I CB 1.681 39.726 38.000 0.076 0.000 1.245 27 I HN 0.306 nan 8.210 nan 0.000 0.434 28 F N 4.053 124.396 119.950 0.654 0.000 2.422 28 F HA 0.693 5.220 4.527 0.001 0.000 0.333 28 F C 0.849 176.878 175.800 0.381 0.000 1.095 28 F CA -0.556 57.763 58.000 0.531 0.000 1.038 28 F CB 1.540 40.793 39.000 0.421 0.000 1.156 28 F HN 0.443 nan 8.300 nan 0.000 0.483 29 A N 1.849 124.699 122.820 0.051 0.000 2.425 29 A HA 0.613 4.933 4.320 0.001 0.000 0.242 29 A C 0.081 177.712 177.584 0.080 0.000 1.077 29 A CA -0.195 51.638 52.037 -0.340 0.000 0.781 29 A CB -0.132 18.511 19.000 -0.596 0.000 1.020 29 A HN 0.958 nan 8.150 nan 0.000 0.494 30 A N 2.580 125.419 122.820 0.032 0.000 2.445 30 A HA 0.556 4.877 4.320 0.001 0.000 0.242 30 A C -2.146 175.323 177.584 -0.191 0.000 1.075 30 A CA -1.079 50.848 52.037 -0.183 0.000 0.777 30 A CB -0.536 18.402 19.000 -0.103 0.000 1.013 30 A HN 0.660 nan 8.150 nan 0.000 0.493 31 P HA 0.183 nan 4.420 nan 0.000 0.274 31 P C -0.482 176.786 177.300 -0.052 0.000 1.231 31 P CA -0.240 62.686 63.100 -0.289 0.000 0.790 31 P CB 0.438 31.943 31.700 -0.325 0.000 0.951 32 E N 0.094 120.265 120.200 -0.048 0.000 2.398 32 E HA 0.241 4.591 4.350 0.001 0.000 0.263 32 E C -0.089 176.498 176.600 -0.022 0.000 1.046 32 E CA -0.376 56.035 56.400 0.019 0.000 0.908 32 E CB 0.468 30.108 29.700 -0.099 0.000 0.963 32 E HN 0.294 nan 8.360 nan 0.000 0.431 33 V N -0.280 119.651 119.914 0.028 0.000 2.588 33 V HA 0.360 4.481 4.120 0.001 0.000 0.304 33 V C 0.028 176.176 176.094 0.089 0.000 1.042 33 V CA -1.043 61.286 62.300 0.048 0.000 0.877 33 V CB 1.761 33.621 31.823 0.062 0.000 0.996 33 V HN 0.527 nan 8.190 nan 0.000 0.425 34 T N 3.876 118.458 114.554 0.047 0.000 2.928 34 T HA 0.211 4.561 4.350 0.001 0.000 0.305 34 T C 0.945 175.649 174.700 0.007 0.000 1.035 34 T CA 0.657 62.757 62.100 0.000 0.000 1.145 34 T CB 1.026 69.884 68.868 -0.017 0.000 0.963 34 T HN 0.938 nan 8.240 nan 0.000 0.545 35 R N 1.743 122.105 120.500 -0.231 0.000 2.103 35 R HA 0.235 4.575 4.340 0.001 0.000 0.212 35 R C 0.423 176.570 176.300 -0.254 0.000 1.107 35 R CA 0.316 56.081 56.100 -0.559 0.000 1.025 35 R CB 0.387 30.032 30.300 -1.091 0.000 0.929 35 R HN 0.530 nan 8.270 nan 0.000 0.456 36 S N -1.053 114.536 115.700 -0.184 0.000 2.584 36 S HA 0.538 5.008 4.470 0.001 0.000 0.280 36 S C -0.462 174.089 174.600 -0.081 0.000 1.162 36 S CA -0.197 57.939 58.200 -0.107 0.000 0.951 36 S CB 1.262 64.399 63.200 -0.106 0.000 1.108 36 S HN 0.699 nan 8.310 nan 0.000 0.464 37 A N 3.889 126.675 122.820 -0.056 0.000 5.236 37 A HA -0.264 4.057 4.320 0.001 0.000 0.326 37 A C 1.067 178.620 177.584 -0.052 0.000 1.825 37 A CA 1.976 53.986 52.037 -0.045 0.000 0.710 37 A CB -2.035 16.943 19.000 -0.037 0.000 1.383 37 A HN 1.283 nan 8.150 nan 0.000 0.386 38 D N 0.480 120.852 120.400 -0.047 0.000 2.339 38 D HA 0.213 4.854 4.640 0.001 0.000 0.217 38 D C 0.761 177.027 176.300 -0.058 0.000 1.050 38 D CA 1.059 55.029 54.000 -0.050 0.000 0.856 38 D CB -0.533 40.249 40.800 -0.030 0.000 0.922 38 D HN 1.125 nan 8.370 nan 0.000 0.518 39 S N -0.234 115.424 115.700 -0.069 0.000 2.554 39 S HA 0.478 4.949 4.470 0.001 0.000 0.278 39 S C -0.303 174.221 174.600 -0.127 0.000 1.242 39 S CA -0.630 57.519 58.200 -0.086 0.000 1.051 39 S CB 2.104 65.249 63.200 -0.091 0.000 0.986 39 S HN -0.046 nan 8.310 nan 0.000 0.502 40 E N 1.058 121.188 120.200 -0.115 0.000 2.244 40 E HA 0.471 4.822 4.350 0.001 0.000 0.266 40 E C -1.192 175.341 176.600 -0.111 0.000 0.914 40 E CA -0.642 55.698 56.400 -0.099 0.000 0.794 40 E CB 0.777 30.446 29.700 -0.051 0.000 1.210 40 E HN 0.662 nan 8.360 nan 0.000 0.414 41 Y N 1.470 121.734 120.300 -0.059 0.000 2.511 41 Y HA 0.152 4.702 4.550 0.000 0.000 0.347 41 Y C -1.541 174.300 175.900 -0.097 0.000 1.257 41 Y CA -1.330 56.719 58.100 -0.085 0.000 1.469 41 Y CB -0.114 38.281 38.460 -0.107 0.000 1.353 41 Y HN 0.364 nan 8.280 nan 0.000 0.617 42 P HA -0.102 nan 4.420 nan 0.000 0.264 42 P C -0.934 176.303 177.300 -0.105 0.000 1.193 42 P CA 0.066 63.109 63.100 -0.095 0.000 0.763 42 P CB 0.024 31.470 31.700 -0.423 0.000 0.810 43 Y N 3.829 124.047 120.300 -0.136 0.000 2.620 43 Y HA 0.140 4.691 4.550 0.000 0.000 0.330 43 Y C 0.688 176.486 175.900 -0.170 0.000 1.186 43 Y CA 0.200 58.219 58.100 -0.136 0.000 1.467 43 Y CB 0.333 38.724 38.460 -0.116 0.000 1.262 43 Y HN 0.211 nan 8.280 nan 0.000 0.550 44 R N 4.969 124.954 120.500 -0.859 0.000 2.409 44 R HA 0.290 4.630 4.340 0.001 0.000 0.313 44 R C -1.401 174.349 176.300 -0.916 0.000 0.953 44 R CA -0.951 54.728 56.100 -0.702 0.000 0.849 44 R CB 0.770 30.812 30.300 -0.431 0.000 1.171 44 R HN 0.716 nan 8.270 nan 0.000 0.458 45 Q N 2.649 122.050 119.800 -0.665 0.000 2.373 45 Q HA 0.135 4.475 4.340 0.001 0.000 0.255 45 Q C -0.322 175.639 176.000 -0.065 0.000 0.980 45 Q CA 0.286 55.913 55.803 -0.292 0.000 0.882 45 Q CB 0.637 29.444 28.738 0.115 0.000 1.249 45 Q HN 0.661 nan 8.270 nan 0.000 0.438 46 N N 2.015 120.801 118.700 0.143 0.000 2.357 46 N HA -0.087 4.653 4.740 0.001 0.000 0.257 46 N C -0.101 175.623 175.510 0.357 0.000 1.250 46 N CA 0.534 53.770 53.050 0.310 0.000 0.862 46 N CB 0.661 39.461 38.487 0.522 0.000 1.066 46 N HN 0.644 nan 8.380 nan 0.000 0.468 47 S N 2.899 118.751 115.700 0.253 0.000 2.382 47 S HA -0.125 4.346 4.470 0.001 0.000 0.228 47 S C 0.982 175.800 174.600 0.364 0.000 1.027 47 S CA 0.913 59.254 58.200 0.236 0.000 0.991 47 S CB -0.004 63.250 63.200 0.089 0.000 0.823 47 S HN 0.652 nan 8.310 nan 0.000 0.469 48 D N 0.443 121.088 120.400 0.409 0.000 2.123 48 D HA -0.020 4.620 4.640 0.001 0.000 0.200 48 D C 1.611 178.229 176.300 0.529 0.000 0.976 48 D CA 0.679 54.952 54.000 0.455 0.000 0.831 48 D CB -0.312 40.865 40.800 0.629 0.000 0.974 48 D HN 0.382 nan 8.370 nan 0.000 0.469 49 F N 0.788 121.002 119.950 0.441 0.000 2.134 49 F HA -0.168 4.360 4.527 0.001 0.000 0.299 49 F C 2.333 178.369 175.800 0.392 0.000 1.097 49 F CA 1.311 59.558 58.000 0.412 0.000 1.264 49 F CB -0.079 39.174 39.000 0.423 0.000 1.001 49 F HN 0.044 nan 8.300 nan 0.000 0.479 50 W N -0.035 121.520 121.300 0.426 0.000 2.355 50 W HA -0.328 4.332 4.660 0.000 0.000 0.309 50 W C 2.242 178.892 176.519 0.219 0.000 1.206 50 W CA 1.910 59.418 57.345 0.271 0.000 1.284 50 W CB -1.151 28.445 29.460 0.228 0.000 1.145 50 W HN 0.244 nan 8.180 nan 0.000 0.502 51 Y N 0.272 120.666 120.300 0.156 0.000 2.181 51 Y HA -0.295 4.255 4.550 0.001 0.000 0.284 51 Y C 1.913 177.714 175.900 -0.165 0.000 1.179 51 Y CA 2.440 60.502 58.100 -0.065 0.000 1.179 51 Y CB -1.111 37.187 38.460 -0.269 0.000 0.973 51 Y HN -0.134 nan 8.280 nan 0.000 0.519 52 F N -1.288 118.656 119.950 -0.010 0.000 2.727 52 F HA 0.103 4.630 4.527 0.001 0.000 0.302 52 F C 1.956 177.534 175.800 -0.370 0.000 1.097 52 F CA 0.987 58.880 58.000 -0.179 0.000 1.330 52 F CB -0.032 38.842 39.000 -0.211 0.000 1.084 52 F HN 0.152 nan 8.300 nan 0.000 0.578 53 T N -6.002 108.239 114.554 -0.522 0.000 3.105 53 T HA 0.335 4.685 4.350 0.001 0.000 0.257 53 T C 1.744 175.573 174.700 -1.451 0.000 0.949 53 T CA 0.549 62.163 62.100 -0.810 0.000 0.959 53 T CB 0.091 68.609 68.868 -0.583 0.000 1.205 53 T HN 0.157 nan 8.240 nan 0.000 0.496 54 G N 1.812 109.569 108.800 -1.738 0.000 2.179 54 G HA2 -0.227 3.734 3.960 0.001 0.000 0.257 54 G HA3 -0.227 3.734 3.960 0.001 0.000 0.257 54 G C -0.226 174.215 174.900 -0.765 0.000 1.010 54 G CA 0.287 44.236 45.100 -1.919 0.000 0.736 54 G HN 0.705 nan 8.290 nan 0.000 0.513 55 F N 0.980 120.731 119.950 -0.331 0.000 2.404 55 F HA 0.680 5.207 4.527 0.000 0.000 0.354 55 F C 0.387 176.522 175.800 0.558 0.000 1.122 55 F CA -2.466 55.628 58.000 0.158 0.000 1.080 55 F CB 1.518 40.617 39.000 0.165 0.000 1.131 55 F HN -0.064 nan 8.300 nan 0.000 0.471 56 N N 3.999 122.802 118.700 0.172 0.000 2.380 56 N HA 0.100 4.840 4.740 0.001 0.000 0.255 56 N C -0.865 174.555 175.510 -0.150 0.000 1.158 56 N CA 0.072 53.249 53.050 0.211 0.000 0.878 56 N CB 0.013 38.679 38.487 0.297 0.000 1.138 56 N HN 0.652 nan 8.380 nan 0.000 0.509 57 E N 0.500 120.281 120.200 -0.698 0.000 2.207 57 E HA 0.368 4.718 4.350 0.001 0.000 0.270 57 E C -2.365 173.844 176.600 -0.653 0.000 0.927 57 E CA -2.052 53.895 56.400 -0.756 0.000 0.799 57 E CB 1.853 31.044 29.700 -0.849 0.000 1.172 57 E HN 0.233 nan 8.360 nan 0.000 0.404 58 P HA 0.063 nan 4.420 nan 0.000 0.282 58 P C -0.918 176.075 177.300 -0.511 0.000 1.287 58 P CA -0.179 62.552 63.100 -0.616 0.000 0.792 58 P CB 0.435 31.696 31.700 -0.732 0.000 1.163 59 E N -2.476 117.347 120.200 -0.628 0.000 2.246 59 E HA -0.068 4.282 4.350 0.001 0.000 0.211 59 E C -0.483 175.724 176.600 -0.656 0.000 1.278 59 E CA 0.316 56.043 56.400 -1.121 0.000 0.694 59 E CB -1.929 27.113 29.700 -1.097 0.000 1.166 59 E HN 0.661 nan 8.360 nan 0.000 0.370 60 A N 0.122 122.822 122.820 -0.199 0.000 2.549 60 A HA 0.756 5.076 4.320 0.001 0.000 0.297 60 A C -0.793 177.015 177.584 0.374 0.000 1.061 60 A CA -0.503 51.692 52.037 0.263 0.000 0.690 60 A CB 2.075 21.299 19.000 0.374 0.000 1.287 60 A HN 0.143 nan 8.150 nan 0.000 0.402 61 V N 1.893 122.132 119.914 0.542 0.000 2.668 61 V HA 0.475 4.595 4.120 0.001 0.000 0.304 61 V C -1.046 175.279 176.094 0.384 0.000 1.071 61 V CA -0.409 62.099 62.300 0.348 0.000 0.894 61 V CB 1.577 33.369 31.823 -0.052 0.000 1.008 61 V HN 0.919 nan 8.190 nan 0.000 0.425 62 L N 5.968 127.368 121.223 0.295 0.000 2.275 62 L HA 0.738 5.078 4.340 0.001 0.000 0.288 62 L C -0.529 176.329 176.870 -0.020 0.000 1.046 62 L CA 0.157 55.031 54.840 0.057 0.000 0.805 62 L CB 1.569 43.534 42.059 -0.157 0.000 1.193 62 L HN 0.487 nan 8.230 nan 0.000 0.426 63 V N 6.881 126.787 119.914 -0.013 0.000 2.376 63 V HA 0.387 4.507 4.120 0.001 0.000 0.287 63 V C -0.145 175.879 176.094 -0.117 0.000 1.015 63 V CA -0.544 61.735 62.300 -0.034 0.000 0.834 63 V CB 1.323 33.184 31.823 0.062 0.000 1.001 63 V HN 0.574 nan 8.190 nan 0.000 0.428 64 L N 6.284 127.409 121.223 -0.163 0.000 2.264 64 L HA 0.598 4.938 4.340 0.001 0.000 0.289 64 L C -0.489 176.272 176.870 -0.181 0.000 1.044 64 L CA -0.262 54.454 54.840 -0.206 0.000 0.807 64 L CB 1.353 43.253 42.059 -0.265 0.000 1.192 64 L HN 0.476 nan 8.230 nan 0.000 0.425 65 I N 4.113 124.522 120.570 -0.268 0.000 2.355 65 I HA 0.269 4.440 4.170 0.001 0.000 0.288 65 I C 0.029 176.044 176.117 -0.171 0.000 0.999 65 I CA -0.453 60.696 61.300 -0.252 0.000 1.163 65 I CB 1.716 39.429 38.000 -0.480 0.000 1.316 65 I HN 0.536 nan 8.210 nan 0.000 0.454 66 K N 4.721 125.087 120.400 -0.056 0.000 2.300 66 K HA 0.321 4.642 4.320 0.001 0.000 0.264 66 K C 0.501 177.121 176.600 0.034 0.000 1.083 66 K CA -0.161 56.124 56.287 -0.003 0.000 0.958 66 K CB 1.038 33.540 32.500 0.004 0.000 1.318 66 K HN 0.610 nan 8.250 nan 0.000 0.448 67 S N 3.020 118.761 115.700 0.068 0.000 2.368 67 S HA -0.140 4.330 4.470 0.001 0.000 0.225 67 S C 0.306 174.928 174.600 0.036 0.000 1.030 67 S CA 1.640 59.887 58.200 0.078 0.000 0.999 67 S CB -0.149 63.134 63.200 0.138 0.000 0.844 67 S HN 0.933 nan 8.310 nan 0.000 0.459 68 D N -1.634 118.779 120.400 0.021 0.000 3.145 68 D HA 0.189 4.829 4.640 0.001 0.000 0.345 68 D C -0.761 175.531 176.300 -0.013 0.000 1.391 68 D CA -0.590 53.399 54.000 -0.018 0.000 0.930 68 D CB -0.326 40.425 40.800 -0.081 0.000 1.451 68 D HN -0.256 nan 8.370 nan 0.000 0.555 69 D N -1.146 119.235 120.400 -0.031 0.000 2.348 69 D HA -0.000 4.640 4.640 0.001 0.000 0.216 69 D C 1.221 177.524 176.300 0.005 0.000 0.970 69 D CA 1.838 55.832 54.000 -0.010 0.000 0.889 69 D CB 0.243 41.035 40.800 -0.013 0.000 0.912 69 D HN 0.570 nan 8.370 nan 0.000 0.524 70 T N -3.012 111.545 114.554 0.004 0.000 3.019 70 T HA 0.015 4.366 4.350 0.001 0.000 0.247 70 T C 0.677 175.529 174.700 0.253 0.000 0.992 70 T CA -0.186 61.972 62.100 0.098 0.000 1.036 70 T CB 0.209 69.141 68.868 0.106 0.000 1.063 70 T HN -0.097 nan 8.240 nan 0.000 0.476 71 H N 3.456 122.537 119.070 0.018 0.000 2.562 71 H HA 0.734 5.291 4.556 0.001 0.000 0.314 71 H C -0.166 175.194 175.328 0.053 0.000 1.079 71 H CA -1.219 54.849 56.048 0.034 0.000 1.349 71 H CB 0.624 30.409 29.762 0.037 0.000 1.432 71 H HN 0.722 nan 8.280 nan 0.000 0.479 72 N N 1.062 119.867 118.700 0.174 0.000 2.591 72 N HA 0.415 5.155 4.740 0.001 0.000 0.263 72 N C -1.326 174.277 175.510 0.154 0.000 1.308 72 N CA -0.918 52.203 53.050 0.119 0.000 0.837 72 N CB 2.557 41.060 38.487 0.026 0.000 1.548 72 N HN 0.701 nan 8.380 nan 0.000 0.493 73 H N -1.935 117.119 119.070 -0.026 0.000 3.014 73 H HA 0.648 5.204 4.556 0.001 0.000 0.337 73 H C -1.801 173.491 175.328 -0.060 0.000 1.320 73 H CA -0.911 55.108 56.048 -0.048 0.000 1.128 73 H CB 1.094 30.828 29.762 -0.047 0.000 1.862 73 H HN 0.802 nan 8.280 nan 0.000 0.536 74 S N 0.796 116.484 115.700 -0.019 0.000 2.503 74 S HA 0.665 5.135 4.470 0.001 0.000 0.301 74 S C -0.693 173.877 174.600 -0.049 0.000 1.087 74 S CA -0.735 57.407 58.200 -0.097 0.000 1.042 74 S CB 1.913 65.050 63.200 -0.106 0.000 1.043 74 S HN 0.490 nan 8.310 nan 0.000 0.489 75 V N 3.115 122.981 119.914 -0.079 0.000 2.531 75 V HA 0.539 4.660 4.120 0.001 0.000 0.301 75 V C -0.798 175.234 176.094 -0.103 0.000 1.034 75 V CA -0.706 61.533 62.300 -0.101 0.000 0.865 75 V CB 1.422 33.188 31.823 -0.095 0.000 0.995 75 V HN 0.915 nan 8.190 nan 0.000 0.424 76 L N 5.217 126.346 121.223 -0.157 0.000 2.296 76 L HA 0.686 5.026 4.340 0.001 0.000 0.286 76 L C -1.001 175.781 176.870 -0.147 0.000 1.023 76 L CA 0.180 54.980 54.840 -0.066 0.000 0.812 76 L CB 1.060 43.059 42.059 -0.100 0.000 1.223 76 L HN 0.465 nan 8.230 nan 0.000 0.421 77 F N 5.511 125.536 119.950 0.126 0.000 2.408 77 F HA 0.532 5.059 4.527 0.001 0.000 0.344 77 F C 0.452 176.431 175.800 0.299 0.000 1.112 77 F CA -0.217 57.901 58.000 0.197 0.000 1.096 77 F CB 1.124 40.255 39.000 0.219 0.000 1.129 77 F HN 0.703 nan 8.300 nan 0.000 0.486 78 N N 1.674 120.618 118.700 0.406 0.000 2.927 78 N HA 0.355 5.095 4.740 0.001 0.000 0.248 78 N C -1.351 174.339 175.510 0.299 0.000 1.443 78 N CA -1.192 52.080 53.050 0.370 0.000 0.870 78 N CB 1.130 39.818 38.487 0.336 0.000 1.444 78 N HN 0.448 nan 8.380 nan 0.000 0.519 79 R N 0.164 120.798 120.500 0.223 0.000 2.570 79 R HA 0.239 4.579 4.340 0.001 0.000 0.277 79 R C 0.354 176.743 176.300 0.148 0.000 1.039 79 R CA -0.443 55.755 56.100 0.163 0.000 1.065 79 R CB 0.527 30.872 30.300 0.075 0.000 0.964 79 R HN 0.425 nan 8.270 nan 0.000 0.428 80 V N 3.737 123.731 119.914 0.134 0.000 2.963 80 V HA 0.023 4.143 4.120 0.001 0.000 0.306 80 V C 0.344 176.490 176.094 0.087 0.000 1.077 80 V CA -0.199 62.161 62.300 0.101 0.000 1.124 80 V CB 0.620 32.499 31.823 0.093 0.000 0.987 80 V HN 0.624 nan 8.190 nan 0.000 0.487 81 R N 4.015 124.558 120.500 0.072 0.000 2.522 81 R HA 0.224 4.564 4.340 0.001 0.000 0.284 81 R C -0.396 175.942 176.300 0.064 0.000 1.032 81 R CA 0.172 56.311 56.100 0.065 0.000 1.049 81 R CB -0.267 30.064 30.300 0.051 0.000 0.956 81 R HN 0.767 nan 8.270 nan 0.000 0.422 82 D N 3.039 123.480 120.400 0.069 0.000 2.478 82 D HA 0.027 4.668 4.640 0.001 0.000 0.240 82 D C 0.654 176.998 176.300 0.072 0.000 1.364 82 D CA -0.574 53.467 54.000 0.069 0.000 0.987 82 D CB 1.056 41.903 40.800 0.078 0.000 1.328 82 D HN 0.229 nan 8.370 nan 0.000 0.584 83 L N 3.593 124.853 121.223 0.061 0.000 2.013 83 L HA -0.118 4.223 4.340 0.001 0.000 0.212 83 L C 1.817 178.734 176.870 0.078 0.000 1.073 83 L CA 2.261 57.136 54.840 0.058 0.000 0.753 83 L CB -0.750 41.336 42.059 0.046 0.000 0.890 83 L HN 0.460 nan 8.230 nan 0.000 0.432 84 T N -0.172 114.435 114.554 0.089 0.000 2.708 84 T HA -0.132 4.218 4.350 0.001 0.000 0.266 84 T C 1.863 176.664 174.700 0.167 0.000 1.037 84 T CA 1.418 63.598 62.100 0.134 0.000 1.146 84 T CB -0.550 68.370 68.868 0.087 0.000 0.865 84 T HN 0.544 nan 8.240 nan 0.000 0.435 85 A N 1.190 124.087 122.820 0.129 0.000 2.019 85 A HA -0.107 4.213 4.320 0.001 0.000 0.219 85 A C 2.137 179.841 177.584 0.200 0.000 1.164 85 A CA 1.482 53.635 52.037 0.193 0.000 0.644 85 A CB -0.385 18.738 19.000 0.205 0.000 0.805 85 A HN 0.580 nan 8.150 nan 0.000 0.449 86 E N -0.656 119.625 120.200 0.135 0.000 2.140 86 E HA 0.039 4.390 4.350 0.001 0.000 0.191 86 E C 1.777 178.408 176.600 0.051 0.000 0.973 86 E CA 0.440 56.902 56.400 0.104 0.000 0.829 86 E CB -0.157 29.592 29.700 0.081 0.000 0.781 86 E HN 0.640 nan 8.360 nan 0.000 0.466 87 I N 0.135 120.725 120.570 0.032 0.000 2.194 87 I HA -0.289 3.881 4.170 0.001 0.000 0.246 87 I C 1.886 177.897 176.117 -0.176 0.000 1.093 87 I CA 1.482 62.746 61.300 -0.060 0.000 1.355 87 I CB -0.162 37.806 38.000 -0.053 0.000 1.046 87 I HN 0.232 nan 8.210 nan 0.000 0.413 88 W N -0.337 120.765 121.300 -0.330 0.000 2.441 88 W HA -0.077 4.584 4.660 0.001 0.000 0.302 88 W C 1.848 177.976 176.519 -0.653 0.000 1.191 88 W CA 0.877 57.814 57.345 -0.680 0.000 1.327 88 W CB -0.223 28.509 29.460 -1.214 0.000 1.128 88 W HN -0.033 nan 8.180 nan 0.000 0.522 89 F N -0.864 119.211 119.950 0.209 0.000 2.746 89 F HA 0.534 5.061 4.527 0.001 0.000 0.320 89 F C 0.838 176.670 175.800 0.053 0.000 1.097 89 F CA 0.221 58.290 58.000 0.115 0.000 1.195 89 F CB 0.088 39.140 39.000 0.087 0.000 1.056 89 F HN -0.119 nan 8.300 nan 0.000 0.562 90 G N 0.823 109.726 108.800 0.172 0.000 2.428 90 G HA2 -0.013 3.947 3.960 0.001 0.000 0.681 90 G HA3 -0.013 3.947 3.960 0.001 0.000 0.681 90 G C -0.819 174.137 174.900 0.094 0.000 1.340 90 G CA -1.423 43.742 45.100 0.108 0.000 0.915 90 G HN 0.058 nan 8.290 nan 0.000 0.645 91 R N 0.276 120.819 120.500 0.072 0.000 2.623 91 R HA 0.352 4.693 4.340 0.001 0.000 0.271 91 R C 0.614 176.963 176.300 0.082 0.000 1.043 91 R CA 0.297 56.440 56.100 0.072 0.000 1.083 91 R CB 0.462 30.801 30.300 0.065 0.000 0.974 91 R HN 0.524 nan 8.270 nan 0.000 0.436 92 R N 1.641 122.195 120.500 0.090 0.000 2.711 92 R HA 0.124 4.465 4.340 0.001 0.000 0.284 92 R C 0.787 177.165 176.300 0.129 0.000 0.968 92 R CA -0.775 55.392 56.100 0.113 0.000 0.924 92 R CB 1.256 31.619 30.300 0.104 0.000 1.162 92 R HN 0.376 nan 8.270 nan 0.000 0.465 93 L N 1.832 123.170 121.223 0.192 0.000 1.994 93 L HA 0.057 4.397 4.340 0.001 0.000 0.208 93 L C 0.797 177.717 176.870 0.083 0.000 1.071 93 L CA 2.650 57.578 54.840 0.147 0.000 0.745 93 L CB -0.640 41.527 42.059 0.180 0.000 0.892 93 L HN 0.956 nan 8.230 nan 0.000 0.431 94 G N -1.793 107.066 108.800 0.098 0.000 2.782 94 G HA2 -0.319 3.641 3.960 0.001 0.000 0.228 94 G HA3 -0.319 3.641 3.960 0.001 0.000 0.228 94 G C 0.120 175.030 174.900 0.016 0.000 1.372 94 G CA 0.268 45.405 45.100 0.062 0.000 0.862 94 G HN 0.364 nan 8.290 nan 0.000 0.547 95 Q N -0.661 119.144 119.800 0.008 0.000 2.163 95 Q HA 0.126 4.467 4.340 0.001 0.000 0.198 95 Q C 2.281 178.257 176.000 -0.040 0.000 0.954 95 Q CA 1.860 57.648 55.803 -0.025 0.000 0.851 95 Q CB -0.025 28.700 28.738 -0.021 0.000 0.928 95 Q HN 0.609 nan 8.270 nan 0.000 0.459 96 D N 0.048 120.434 120.400 -0.023 0.000 2.117 96 D HA -0.084 4.556 4.640 0.001 0.000 0.198 96 D C 1.422 177.702 176.300 -0.034 0.000 0.982 96 D CA 1.501 55.485 54.000 -0.027 0.000 0.828 96 D CB -0.108 40.684 40.800 -0.014 0.000 0.967 96 D HN 0.275 nan 8.370 nan 0.000 0.464 97 A N 0.485 123.287 122.820 -0.030 0.000 2.123 97 A HA 0.270 4.591 4.320 0.001 0.000 0.214 97 A C 2.167 179.713 177.584 -0.065 0.000 1.152 97 A CA 1.186 53.203 52.037 -0.034 0.000 0.728 97 A CB -0.199 18.793 19.000 -0.014 0.000 0.814 97 A HN 0.185 nan 8.150 nan 0.000 0.464 98 A N 0.991 123.757 122.820 -0.091 0.000 1.877 98 A HA 0.015 4.336 4.320 0.001 0.000 0.216 98 A C 0.196 177.690 177.584 -0.149 0.000 1.186 98 A CA 1.665 53.608 52.037 -0.158 0.000 0.620 98 A CB -1.545 17.335 19.000 -0.199 0.000 0.822 98 A HN 0.416 nan 8.150 nan 0.000 0.443 99 P HA -0.230 nan 4.420 nan 0.000 0.215 99 P C 1.629 178.876 177.300 -0.089 0.000 1.163 99 P CA 1.642 64.681 63.100 -0.102 0.000 0.894 99 P CB -0.053 31.598 31.700 -0.081 0.000 0.791 100 E N 0.234 120.390 120.200 -0.072 0.000 2.072 100 E HA -0.222 4.128 4.350 0.001 0.000 0.191 100 E C 1.980 178.543 176.600 -0.062 0.000 0.985 100 E CA 1.462 57.828 56.400 -0.057 0.000 0.801 100 E CB -0.288 29.387 29.700 -0.042 0.000 0.750 100 E HN 0.008 nan 8.360 nan 0.000 0.452 101 K N 0.286 120.642 120.400 -0.073 0.000 2.057 101 K HA -0.029 4.292 4.320 0.001 0.000 0.206 101 K C 2.115 178.653 176.600 -0.103 0.000 1.050 101 K CA 1.134 57.379 56.287 -0.071 0.000 0.935 101 K CB -0.086 32.374 32.500 -0.067 0.000 0.715 101 K HN 0.176 nan 8.250 nan 0.000 0.439 102 L N -1.071 120.059 121.223 -0.156 0.000 2.616 102 L HA 0.310 4.650 4.340 0.001 0.000 0.229 102 L C 0.743 177.519 176.870 -0.157 0.000 1.110 102 L CA 0.171 54.888 54.840 -0.206 0.000 0.884 102 L CB 0.402 42.271 42.059 -0.317 0.000 1.115 102 L HN 0.504 nan 8.230 nan 0.000 0.481 103 G N 1.742 110.474 108.800 -0.113 0.000 2.225 103 G HA2 -0.227 3.734 3.960 0.001 0.000 0.264 103 G HA3 -0.227 3.734 3.960 0.001 0.000 0.264 103 G C 0.078 174.922 174.900 -0.093 0.000 1.060 103 G CA 0.342 45.391 45.100 -0.084 0.000 0.833 103 G HN 0.259 nan 8.290 nan 0.000 0.498 104 V N -3.859 115.988 119.914 -0.112 0.000 2.850 104 V HA 0.776 4.896 4.120 0.001 0.000 0.315 104 V C 0.947 176.991 176.094 -0.083 0.000 1.064 104 V CA -0.089 62.148 62.300 -0.106 0.000 0.979 104 V CB 1.908 33.649 31.823 -0.137 0.000 1.039 104 V HN 0.001 nan 8.190 nan 0.000 0.452 105 D N 1.052 121.417 120.400 -0.057 0.000 2.137 105 D HA 0.088 4.728 4.640 0.001 0.000 0.202 105 D C 0.676 176.940 176.300 -0.060 0.000 0.970 105 D CA 1.301 55.275 54.000 -0.043 0.000 0.837 105 D CB 0.324 41.125 40.800 0.002 0.000 0.981 105 D HN 0.573 nan 8.370 nan 0.000 0.475 106 R N -0.277 120.184 120.500 -0.066 0.000 2.795 106 R HA 0.731 5.071 4.340 0.001 0.000 0.275 106 R C -1.061 175.152 176.300 -0.145 0.000 0.981 106 R CA -0.725 55.317 56.100 -0.097 0.000 0.917 106 R CB 2.640 32.887 30.300 -0.089 0.000 1.202 106 R HN -0.088 nan 8.270 nan 0.000 0.469 107 A N 2.892 125.617 122.820 -0.158 0.000 2.393 107 A HA 0.742 5.063 4.320 0.001 0.000 0.306 107 A C -1.038 176.418 177.584 -0.214 0.000 1.050 107 A CA -0.636 51.288 52.037 -0.190 0.000 0.724 107 A CB 1.172 20.090 19.000 -0.136 0.000 1.248 107 A HN 0.547 nan 8.150 nan 0.000 0.424 108 L N 1.159 122.186 121.223 -0.328 0.000 2.309 108 L HA 0.776 5.116 4.340 0.001 0.000 0.261 108 L C 0.628 177.457 176.870 -0.069 0.000 1.021 108 L CA -1.070 53.606 54.840 -0.273 0.000 0.823 108 L CB 2.074 43.827 42.059 -0.510 0.000 1.366 108 L HN 0.832 nan 8.230 nan 0.000 0.423 109 A N 0.311 123.172 122.820 0.069 0.000 2.477 109 A HA 0.108 4.429 4.320 0.001 0.000 0.246 109 A C 0.506 178.314 177.584 0.373 0.000 1.078 109 A CA 0.027 52.181 52.037 0.195 0.000 0.770 109 A CB -0.155 18.932 19.000 0.145 0.000 1.011 109 A HN 0.726 nan 8.150 nan 0.000 0.494 110 F N 3.034 123.143 119.950 0.265 0.000 2.216 110 F HA -0.185 4.342 4.527 0.001 0.000 0.300 110 F C 2.489 178.401 175.800 0.187 0.000 1.085 110 F CA 2.355 60.526 58.000 0.285 0.000 1.326 110 F CB -0.075 39.042 39.000 0.195 0.000 1.027 110 F HN 0.593 nan 8.300 nan 0.000 0.497 111 S N -0.858 114.970 115.700 0.214 0.000 2.469 111 S HA -0.140 4.330 4.470 0.001 0.000 0.238 111 S C 1.463 176.069 174.600 0.010 0.000 0.998 111 S CA 1.114 59.366 58.200 0.087 0.000 0.957 111 S CB -0.465 62.815 63.200 0.133 0.000 0.764 111 S HN 0.450 nan 8.310 nan 0.000 0.514 112 E N 0.529 120.766 120.200 0.062 0.000 2.463 112 E HA 0.304 4.655 4.350 0.001 0.000 0.193 112 E C 1.368 177.990 176.600 0.036 0.000 1.041 112 E CA -0.154 56.295 56.400 0.082 0.000 0.879 112 E CB -0.115 29.678 29.700 0.155 0.000 0.997 112 E HN 0.649 nan 8.360 nan 0.000 0.478 113 I N 1.225 121.675 120.570 -0.200 0.000 2.286 113 I HA -0.274 3.896 4.170 0.001 0.000 0.248 113 I C 1.493 177.441 176.117 -0.281 0.000 1.115 113 I CA 1.046 62.026 61.300 -0.534 0.000 1.392 113 I CB 0.195 37.624 38.000 -0.951 0.000 1.065 113 I HN -0.011 nan 8.210 nan 0.000 0.418 114 N N 0.422 119.029 118.700 -0.156 0.000 2.309 114 N HA -0.188 4.552 4.740 0.001 0.000 0.182 114 N C 1.730 177.305 175.510 0.109 0.000 1.018 114 N CA 1.012 54.044 53.050 -0.029 0.000 0.876 114 N CB -0.167 38.301 38.487 -0.032 0.000 0.972 114 N HN 0.433 nan 8.380 nan 0.000 0.434 115 Q N 0.207 120.067 119.800 0.100 0.000 2.389 115 Q HA 0.120 4.461 4.340 0.001 0.000 0.204 115 Q C 1.471 177.543 176.000 0.120 0.000 0.944 115 Q CA 0.796 56.711 55.803 0.186 0.000 0.908 115 Q CB 0.307 29.115 28.738 0.117 0.000 1.002 115 Q HN 0.310 nan 8.270 nan 0.000 0.493 116 Q N -1.455 118.384 119.800 0.065 0.000 2.422 116 Q HA 0.122 4.462 4.340 0.001 0.000 0.255 116 Q C 1.699 177.692 176.000 -0.012 0.000 0.864 116 Q CA 0.059 55.879 55.803 0.028 0.000 0.968 116 Q CB -0.014 28.882 28.738 0.263 0.000 1.130 116 Q HN 0.286 nan 8.270 nan 0.000 0.556 117 L N 1.541 122.757 121.223 -0.011 0.000 2.046 117 L HA -0.191 4.150 4.340 0.001 0.000 0.208 117 L C 2.418 179.305 176.870 0.028 0.000 1.077 117 L CA 1.951 56.781 54.840 -0.016 0.000 0.747 117 L CB -0.953 41.041 42.059 -0.110 0.000 0.896 117 L HN 0.288 nan 8.230 nan 0.000 0.432 118 Y N -0.861 119.440 120.300 0.002 0.000 2.274 118 Y HA -0.197 4.354 4.550 0.001 0.000 0.290 118 Y C 2.227 178.144 175.900 0.028 0.000 1.145 118 Y CA 1.508 59.614 58.100 0.009 0.000 1.203 118 Y CB -1.210 37.250 38.460 -0.000 0.000 0.984 118 Y HN 0.338 nan 8.280 nan 0.000 0.533 119 Q N 0.607 120.010 119.800 -0.661 0.000 2.167 119 Q HA -0.063 4.277 4.340 0.001 0.000 0.202 119 Q C 2.232 178.149 176.000 -0.138 0.000 0.970 119 Q CA 1.639 57.171 55.803 -0.451 0.000 0.855 119 Q CB -0.144 28.305 28.738 -0.482 0.000 0.911 119 Q HN 0.590 nan 8.270 nan 0.000 0.438 120 L N -0.016 121.169 121.223 -0.063 0.000 2.156 120 L HA -0.116 4.224 4.340 0.001 0.000 0.208 120 L C 1.995 178.881 176.870 0.027 0.000 1.095 120 L CA 0.724 55.573 54.840 0.015 0.000 0.770 120 L CB -0.146 41.951 42.059 0.063 0.000 0.914 120 L HN 0.230 nan 8.230 nan 0.000 0.439 121 L N -0.768 120.475 121.223 0.034 0.000 2.446 121 L HA 0.012 4.353 4.340 0.001 0.000 0.219 121 L C 0.819 177.721 176.870 0.052 0.000 1.116 121 L CA -0.274 54.596 54.840 0.051 0.000 0.844 121 L CB -0.404 41.694 42.059 0.065 0.000 0.970 121 L HN 0.245 nan 8.230 nan 0.000 0.457 122 N N 1.188 119.920 118.700 0.053 0.000 2.411 122 N HA 0.066 4.806 4.740 0.001 0.000 0.261 122 N C 1.105 176.642 175.510 0.045 0.000 1.248 122 N CA 1.321 54.408 53.050 0.061 0.000 0.885 122 N CB 0.701 39.223 38.487 0.058 0.000 1.062 122 N HN 0.315 nan 8.380 nan 0.000 0.471 123 G N 2.359 111.184 108.800 0.042 0.000 2.205 123 G HA2 -0.250 3.710 3.960 0.001 0.000 0.261 123 G HA3 -0.250 3.710 3.960 0.001 0.000 0.261 123 G C 0.136 175.054 174.900 0.030 0.000 0.980 123 G CA 0.442 45.562 45.100 0.033 0.000 0.632 123 G HN 0.541 nan 8.290 nan 0.000 0.533 124 L N 0.530 121.773 121.223 0.032 0.000 2.439 124 L HA 0.382 4.722 4.340 0.001 0.000 0.261 124 L C 1.063 177.944 176.870 0.019 0.000 1.153 124 L CA -0.564 54.294 54.840 0.030 0.000 0.808 124 L CB 0.492 42.573 42.059 0.037 0.000 1.126 124 L HN -0.051 nan 8.230 nan 0.000 0.460 125 D N 0.313 120.722 120.400 0.014 0.000 2.271 125 D HA 0.083 4.723 4.640 0.001 0.000 0.206 125 D C 0.052 176.336 176.300 -0.027 0.000 0.967 125 D CA 0.950 54.949 54.000 -0.001 0.000 0.867 125 D CB 0.756 41.558 40.800 0.003 0.000 0.960 125 D HN 0.131 nan 8.370 nan 0.000 0.509 126 V N 0.914 120.804 119.914 -0.039 0.000 2.760 126 V HA 0.372 4.492 4.120 0.001 0.000 0.309 126 V C -0.578 175.451 176.094 -0.109 0.000 1.077 126 V CA -1.000 61.221 62.300 -0.132 0.000 0.910 126 V CB 3.036 34.720 31.823 -0.232 0.000 1.008 126 V HN -0.190 nan 8.190 nan 0.000 0.424 127 V N 5.190 125.021 119.914 -0.137 0.000 2.540 127 V HA 0.638 4.758 4.120 0.001 0.000 0.302 127 V C -1.535 174.520 176.094 -0.065 0.000 1.035 127 V CA -0.356 61.934 62.300 -0.015 0.000 0.873 127 V CB 1.692 33.545 31.823 0.050 0.000 0.992 127 V HN 0.746 nan 8.190 nan 0.000 0.428 128 Y N 6.452 126.873 120.300 0.201 0.000 2.341 128 Y HA 0.697 5.248 4.550 0.001 0.000 0.340 128 Y C 0.067 176.262 175.900 0.491 0.000 0.997 128 Y CA -0.105 58.181 58.100 0.311 0.000 1.149 128 Y CB 1.147 39.821 38.460 0.356 0.000 1.171 128 Y HN 0.876 nan 8.280 nan 0.000 0.494 129 H N 1.417 120.660 119.070 0.288 0.000 3.029 129 H HA 0.659 5.215 4.556 0.001 0.000 0.358 129 H C -1.475 173.725 175.328 -0.213 0.000 1.129 129 H CA -1.024 55.138 56.048 0.191 0.000 1.230 129 H CB 1.363 31.227 29.762 0.169 0.000 1.827 129 H HN 0.694 nan 8.280 nan 0.000 0.530 130 A N 4.978 127.281 122.820 -0.861 0.000 2.807 130 A HA 0.229 4.550 4.320 0.001 0.000 0.307 130 A C 0.217 177.217 177.584 -0.975 0.000 1.532 130 A CA -0.451 50.987 52.037 -0.998 0.000 1.215 130 A CB -0.474 17.865 19.000 -1.103 0.000 1.127 130 A HN 0.763 nan 8.150 nan 0.000 0.543 131 Q N 1.107 120.422 119.800 -0.808 0.000 2.332 131 Q HA 0.416 4.756 4.340 0.001 0.000 0.263 131 Q C 1.204 177.017 176.000 -0.312 0.000 0.979 131 Q CA 1.158 56.657 55.803 -0.507 0.000 0.885 131 Q CB 0.433 29.033 28.738 -0.229 0.000 1.218 131 Q HN 1.384 nan 8.270 nan 0.000 0.405 132 G N 3.115 111.789 108.800 -0.211 0.000 2.176 132 G HA2 -0.298 3.662 3.960 0.001 0.000 0.253 132 G HA3 -0.298 3.662 3.960 0.001 0.000 0.253 132 G C 0.603 175.397 174.900 -0.177 0.000 0.979 132 G CA 0.509 45.519 45.100 -0.151 0.000 0.641 132 G HN 0.690 nan 8.290 nan 0.000 0.530 133 E N -0.636 119.399 120.200 -0.274 0.000 2.033 133 E HA 0.222 4.572 4.350 0.001 0.000 0.189 133 E C 0.169 176.540 176.600 -0.381 0.000 0.979 133 E CA 0.912 57.076 56.400 -0.395 0.000 0.802 133 E CB 0.044 29.413 29.700 -0.551 0.000 0.763 133 E HN 0.504 nan 8.360 nan 0.000 0.449 134 Y N -0.982 119.272 120.300 -0.077 0.000 2.361 134 Y HA 0.556 5.107 4.550 0.001 0.000 0.337 134 Y C 0.675 176.504 175.900 -0.119 0.000 0.965 134 Y CA -0.853 57.213 58.100 -0.056 0.000 1.091 134 Y CB 1.632 40.050 38.460 -0.070 0.000 1.182 134 Y HN 0.053 nan 8.280 nan 0.000 0.450 135 A N 3.068 125.975 122.820 0.144 0.000 1.933 135 A HA -0.233 4.088 4.320 0.001 0.000 0.218 135 A C 1.864 179.471 177.584 0.038 0.000 1.175 135 A CA 1.968 54.042 52.037 0.063 0.000 0.628 135 A CB -1.110 17.934 19.000 0.074 0.000 0.814 135 A HN 0.941 nan 8.150 nan 0.000 0.444 136 Y N -0.763 119.557 120.300 0.034 0.000 2.224 136 Y HA 0.058 4.609 4.550 0.001 0.000 0.289 136 Y C 2.313 178.176 175.900 -0.062 0.000 1.146 136 Y CA 0.910 59.015 58.100 0.007 0.000 1.182 136 Y CB -0.719 37.755 38.460 0.023 0.000 0.983 136 Y HN 0.213 nan 8.280 nan 0.000 0.524 137 A N 0.941 123.114 122.820 -1.078 0.000 1.897 137 A HA -0.139 4.181 4.320 0.001 0.000 0.215 137 A C 1.847 179.022 177.584 -0.683 0.000 1.181 137 A CA 1.679 52.900 52.037 -1.360 0.000 0.620 137 A CB -0.820 17.254 19.000 -1.543 0.000 0.821 137 A HN 0.540 nan 8.150 nan 0.000 0.443 138 D N -0.093 120.123 120.400 -0.308 0.000 2.123 138 D HA -0.114 4.527 4.640 0.001 0.000 0.196 138 D C 2.056 178.280 176.300 -0.126 0.000 0.992 138 D CA 1.398 55.329 54.000 -0.114 0.000 0.833 138 D CB -0.470 40.319 40.800 -0.018 0.000 0.954 138 D HN 0.207 nan 8.370 nan 0.000 0.455 139 V N 1.178 121.031 119.914 -0.102 0.000 2.295 139 V HA -0.221 3.899 4.120 0.001 0.000 0.246 139 V C 2.539 178.597 176.094 -0.059 0.000 1.049 139 V CA 1.118 63.388 62.300 -0.050 0.000 1.024 139 V CB -0.331 31.492 31.823 -0.001 0.000 0.648 139 V HN 0.176 nan 8.190 nan 0.000 0.447 140 I N -0.564 119.959 120.570 -0.078 0.000 2.179 140 I HA -0.222 3.949 4.170 0.001 0.000 0.242 140 I C 2.348 178.435 176.117 -0.050 0.000 1.088 140 I CA 1.352 62.631 61.300 -0.035 0.000 1.357 140 I CB -0.357 37.670 38.000 0.044 0.000 1.051 140 I HN 0.140 nan 8.210 nan 0.000 0.409 141 V N 1.014 120.849 119.914 -0.131 0.000 2.307 141 V HA -0.242 3.878 4.120 0.001 0.000 0.245 141 V C 2.106 178.142 176.094 -0.096 0.000 1.045 141 V CA 1.846 64.056 62.300 -0.150 0.000 1.024 141 V CB -0.817 30.736 31.823 -0.449 0.000 0.651 141 V HN 0.436 nan 8.190 nan 0.000 0.449 142 N N 0.024 118.669 118.700 -0.092 0.000 2.223 142 N HA -0.147 4.593 4.740 0.001 0.000 0.185 142 N C 2.106 177.592 175.510 -0.039 0.000 1.016 142 N CA 1.739 54.758 53.050 -0.051 0.000 0.863 142 N CB -0.428 38.035 38.487 -0.039 0.000 0.983 142 N HN 0.471 nan 8.380 nan 0.000 0.429 143 S N 0.276 115.952 115.700 -0.040 0.000 2.371 143 S HA 0.055 4.525 4.470 0.001 0.000 0.224 143 S C 1.979 176.557 174.600 -0.037 0.000 1.029 143 S CA 1.010 59.187 58.200 -0.038 0.000 0.978 143 S CB -0.188 62.992 63.200 -0.034 0.000 0.833 143 S HN 0.354 nan 8.310 nan 0.000 0.466 144 A N 1.727 124.542 122.820 -0.008 0.000 1.883 144 A HA 0.018 4.338 4.320 0.001 0.000 0.217 144 A C 2.228 179.830 177.584 0.030 0.000 1.186 144 A CA 1.599 53.661 52.037 0.043 0.000 0.624 144 A CB -0.943 18.099 19.000 0.071 0.000 0.822 144 A HN 0.579 nan 8.150 nan 0.000 0.444 145 L N -1.161 120.067 121.223 0.007 0.000 2.093 145 L HA -0.175 4.166 4.340 0.001 0.000 0.208 145 L C 2.654 179.517 176.870 -0.012 0.000 1.085 145 L CA 1.644 56.487 54.840 0.005 0.000 0.755 145 L CB -0.422 41.634 42.059 -0.005 0.000 0.904 145 L HN 0.431 nan 8.230 nan 0.000 0.435 146 E N 0.695 120.878 120.200 -0.030 0.000 2.072 146 E HA -0.192 4.158 4.350 0.001 0.000 0.191 146 E C 2.098 178.659 176.600 -0.066 0.000 0.985 146 E CA 1.320 57.695 56.400 -0.042 0.000 0.801 146 E CB 0.078 29.753 29.700 -0.043 0.000 0.750 146 E HN 0.224 nan 8.360 nan 0.000 0.452 147 K N -0.243 120.094 120.400 -0.106 0.000 2.103 147 K HA -0.110 4.210 4.320 0.001 0.000 0.207 147 K C 2.126 178.647 176.600 -0.131 0.000 1.048 147 K CA 1.319 57.489 56.287 -0.194 0.000 0.930 147 K CB -0.152 32.090 32.500 -0.430 0.000 0.716 147 K HN 0.185 nan 8.250 nan 0.000 0.444 148 L N 0.113 121.308 121.223 -0.046 0.000 2.072 148 L HA -0.126 4.215 4.340 0.001 0.000 0.205 148 L C 2.462 179.334 176.870 0.003 0.000 1.079 148 L CA 1.071 55.923 54.840 0.020 0.000 0.752 148 L CB -0.313 41.788 42.059 0.069 0.000 0.906 148 L HN 0.113 nan 8.230 nan 0.000 0.436 149 R N 0.411 120.906 120.500 -0.009 0.000 2.105 149 R HA -0.161 4.179 4.340 0.001 0.000 0.239 149 R C 1.731 178.022 176.300 -0.015 0.000 1.135 149 R CA 1.348 57.442 56.100 -0.010 0.000 0.967 149 R CB -0.053 30.239 30.300 -0.014 0.000 0.861 149 R HN 0.271 nan 8.270 nan 0.000 0.442 150 K N -0.978 119.405 120.400 -0.029 0.000 2.387 150 K HA 0.103 4.423 4.320 0.001 0.000 0.198 150 K C 0.877 177.459 176.600 -0.030 0.000 1.022 150 K CA 0.205 56.474 56.287 -0.031 0.000 1.128 150 K CB 1.230 33.705 32.500 -0.042 0.000 0.853 150 K HN 0.146 nan 8.250 nan 0.000 0.523 151 G N 0.714 109.499 108.800 -0.024 0.000 3.707 151 G HA2 -0.065 3.896 3.960 0.001 0.000 0.286 151 G HA3 -0.065 3.896 3.960 0.001 0.000 0.286 151 G C 0.981 175.885 174.900 0.007 0.000 1.112 151 G CA -0.212 44.880 45.100 -0.014 0.000 0.861 151 G HN 0.235 nan 8.290 nan 0.000 0.534 152 S N 0.345 116.047 115.700 0.004 0.000 2.419 152 S HA -0.131 4.339 4.470 0.001 0.000 0.235 152 S C 2.113 176.719 174.600 0.010 0.000 1.019 152 S CA 0.648 58.854 58.200 0.009 0.000 0.982 152 S CB -0.179 63.024 63.200 0.005 0.000 0.789 152 S HN 0.412 nan 8.310 nan 0.000 0.490 153 R N 0.519 121.022 120.500 0.006 0.000 2.148 153 R HA 0.098 4.439 4.340 0.001 0.000 0.227 153 R C 1.456 177.764 176.300 0.014 0.000 1.103 153 R CA 1.255 57.359 56.100 0.007 0.000 0.983 153 R CB -0.155 30.146 30.300 0.002 0.000 0.874 153 R HN 0.423 nan 8.270 nan 0.000 0.451 154 Q N 0.151 119.963 119.800 0.019 0.000 2.222 154 Q HA 0.144 4.485 4.340 0.001 0.000 0.206 154 Q C -0.527 175.499 176.000 0.042 0.000 0.877 154 Q CA 0.013 55.836 55.803 0.033 0.000 0.958 154 Q CB 0.251 29.015 28.738 0.042 0.000 1.075 154 Q HN 0.185 nan 8.270 nan 0.000 0.483 155 N N 0.169 118.889 118.700 0.033 0.000 2.754 155 N HA -0.188 4.552 4.740 0.001 0.000 0.248 155 N C -1.058 174.479 175.510 0.045 0.000 1.093 155 N CA 0.552 53.622 53.050 0.033 0.000 0.699 155 N CB -1.538 36.966 38.487 0.029 0.000 1.016 155 N HN 0.320 nan 8.380 nan 0.000 0.552 156 L N 0.546 121.800 121.223 0.053 0.000 2.325 156 L HA 0.550 4.890 4.340 0.001 0.000 0.279 156 L C 1.006 177.905 176.870 0.049 0.000 1.054 156 L CA -0.412 54.470 54.840 0.071 0.000 0.804 156 L CB 1.768 43.888 42.059 0.102 0.000 1.200 156 L HN 0.128 nan 8.230 nan 0.000 0.436 157 T N -0.642 113.943 114.554 0.051 0.000 2.912 157 T HA 0.769 5.119 4.350 0.001 0.000 0.299 157 T C -0.503 174.221 174.700 0.040 0.000 1.052 157 T CA -0.802 61.320 62.100 0.036 0.000 0.996 157 T CB 1.935 70.819 68.868 0.027 0.000 1.070 157 T HN 0.674 nan 8.240 nan 0.000 0.465 158 A N 3.534 126.371 122.820 0.029 0.000 2.304 158 A HA 0.785 5.106 4.320 0.001 0.000 0.301 158 A C -2.464 175.130 177.584 0.017 0.000 1.132 158 A CA -1.856 50.197 52.037 0.027 0.000 0.819 158 A CB -0.398 18.612 19.000 0.017 0.000 1.094 158 A HN 0.718 nan 8.150 nan 0.000 0.492 159 P HA 0.178 nan 4.420 nan 0.000 0.265 159 P C 0.420 177.716 177.300 -0.008 0.000 1.193 159 P CA 0.483 63.583 63.100 0.001 0.000 0.765 159 P CB 0.900 32.597 31.700 -0.005 0.000 0.823 160 A N 2.566 125.378 122.820 -0.013 0.000 2.218 160 A HA 0.115 4.435 4.320 0.001 0.000 0.209 160 A C 0.666 178.233 177.584 -0.028 0.000 1.168 160 A CA 0.949 52.977 52.037 -0.016 0.000 0.804 160 A CB -0.275 18.717 19.000 -0.012 0.000 0.834 160 A HN 0.510 nan 8.150 nan 0.000 0.482 161 T N 0.513 115.041 114.554 -0.045 0.000 2.812 161 T HA 0.546 4.896 4.350 0.001 0.000 0.282 161 T C -0.652 173.989 174.700 -0.099 0.000 0.990 161 T CA -0.150 61.908 62.100 -0.070 0.000 0.960 161 T CB 1.287 70.105 68.868 -0.084 0.000 0.948 161 T HN 0.344 nan 8.240 nan 0.000 0.438 162 M N 4.780 124.329 119.600 -0.085 0.000 2.311 162 M HA 0.641 5.121 4.480 0.001 0.000 0.325 162 M C -1.769 174.464 176.300 -0.112 0.000 1.061 162 M CA -0.771 54.478 55.300 -0.085 0.000 0.957 162 M CB 0.832 33.424 32.600 -0.014 0.000 1.646 162 M HN 0.565 nan 8.290 nan 0.000 0.434 163 I N 3.194 123.664 120.570 -0.167 0.000 2.498 163 I HA 0.263 4.433 4.170 0.001 0.000 0.290 163 I C -0.771 175.364 176.117 0.030 0.000 1.032 163 I CA -0.892 60.353 61.300 -0.091 0.000 1.073 163 I CB 1.971 39.872 38.000 -0.166 0.000 1.251 163 I HN 0.589 nan 8.210 nan 0.000 0.426 164 D N 6.717 127.097 120.400 -0.034 0.000 2.358 164 D HA -0.003 4.637 4.640 0.001 0.000 0.258 164 D C 0.863 177.144 176.300 -0.032 0.000 1.223 164 D CA -0.154 53.743 54.000 -0.171 0.000 0.886 164 D CB 0.667 41.342 40.800 -0.208 0.000 1.120 164 D HN 0.522 nan 8.370 nan 0.000 0.482 165 W N 4.079 125.445 121.300 0.109 0.000 3.047 165 W HA 0.066 4.726 4.660 0.001 0.000 0.250 165 W C 1.136 177.628 176.519 -0.045 0.000 1.314 165 W CA -0.568 56.821 57.345 0.074 0.000 1.540 165 W CB -0.378 29.120 29.460 0.064 0.000 1.127 165 W HN 0.317 nan 8.180 nan 0.000 0.679 166 R N 1.328 121.665 120.500 -0.272 0.000 2.083 166 R HA -0.137 4.203 4.340 0.001 0.000 0.237 166 R C -0.246 175.834 176.300 -0.366 0.000 1.137 166 R CA 2.165 57.972 56.100 -0.487 0.000 0.951 166 R CB -1.834 27.994 30.300 -0.787 0.000 0.851 166 R HN 0.098 nan 8.270 nan 0.000 0.434 167 P HA -0.162 nan 4.420 nan 0.000 0.215 167 P C 1.397 178.727 177.300 0.049 0.000 1.157 167 P CA 1.201 64.285 63.100 -0.027 0.000 0.874 167 P CB 0.029 31.733 31.700 0.007 0.000 0.790 168 V N -0.730 119.239 119.914 0.092 0.000 2.323 168 V HA -0.162 3.958 4.120 0.001 0.000 0.244 168 V C 2.462 178.655 176.094 0.165 0.000 1.041 168 V CA 1.604 63.978 62.300 0.124 0.000 1.025 168 V CB -1.047 30.851 31.823 0.125 0.000 0.656 168 V HN -0.053 nan 8.190 nan 0.000 0.451 169 V N -0.304 119.752 119.914 0.237 0.000 2.427 169 V HA -0.260 3.860 4.120 0.001 0.000 0.248 169 V C 2.192 178.415 176.094 0.214 0.000 1.051 169 V CA 2.072 64.549 62.300 0.293 0.000 1.048 169 V CB -0.933 31.192 31.823 0.503 0.000 0.666 169 V HN 0.678 nan 8.190 nan 0.000 0.456 170 H N -0.614 118.510 119.070 0.091 0.000 2.423 170 H HA -0.151 4.406 4.556 0.001 0.000 0.297 170 H C 2.382 177.677 175.328 -0.056 0.000 1.075 170 H CA 1.185 57.225 56.048 -0.013 0.000 1.342 170 H CB 0.344 30.116 29.762 0.017 0.000 1.395 170 H HN 0.407 nan 8.280 nan 0.000 0.530 171 E N 1.254 121.531 120.200 0.129 0.000 2.106 171 E HA -0.133 4.218 4.350 0.001 0.000 0.192 171 E C 2.127 178.816 176.600 0.148 0.000 0.984 171 E CA 0.909 57.371 56.400 0.104 0.000 0.806 171 E CB -0.046 29.721 29.700 0.111 0.000 0.750 171 E HN 0.384 nan 8.360 nan 0.000 0.458 172 M N -0.296 119.377 119.600 0.120 0.000 2.086 172 M HA -0.126 4.355 4.480 0.001 0.000 0.261 172 M C 2.374 178.720 176.300 0.076 0.000 1.067 172 M CA 1.666 57.047 55.300 0.136 0.000 1.116 172 M CB -0.185 32.523 32.600 0.181 0.000 1.348 172 M HN 0.007 nan 8.290 nan 0.000 0.407 173 R N 0.002 120.426 120.500 -0.127 0.000 2.148 173 R HA -0.108 4.232 4.340 0.001 0.000 0.227 173 R C 2.067 178.279 176.300 -0.147 0.000 1.103 173 R CA 0.829 56.785 56.100 -0.241 0.000 0.983 173 R CB -0.430 29.626 30.300 -0.407 0.000 0.874 173 R HN 0.237 nan 8.270 nan 0.000 0.451 174 L N 0.021 121.120 121.223 -0.205 0.000 2.131 174 L HA -0.042 4.299 4.340 0.001 0.000 0.210 174 L C -0.026 176.512 176.870 -0.552 0.000 1.092 174 L CA 1.588 56.134 54.840 -0.490 0.000 0.759 174 L CB 0.019 41.695 42.059 -0.639 0.000 0.903 174 L HN -0.102 nan 8.230 nan 0.000 0.435 175 F N 0.787 120.642 119.950 -0.158 0.000 2.308 175 F HA 0.371 4.899 4.527 0.000 0.000 0.370 175 F C 0.512 176.293 175.800 -0.032 0.000 1.100 175 F CA -0.934 57.009 58.000 -0.096 0.000 1.108 175 F CB 0.483 39.439 39.000 -0.073 0.000 1.293 175 F HN -0.298 nan 8.300 nan 0.000 0.478 176 K N 1.912 122.356 120.400 0.073 0.000 2.298 176 K HA 0.291 4.611 4.320 0.001 0.000 0.280 176 K C 0.253 176.890 176.600 0.062 0.000 1.032 176 K CA -0.292 56.036 56.287 0.067 0.000 0.958 176 K CB 0.762 33.273 32.500 0.018 0.000 0.978 176 K HN 0.586 nan 8.250 nan 0.000 0.472 177 S N 2.487 118.210 115.700 0.037 0.000 2.645 177 S HA 0.289 4.759 4.470 0.001 0.000 0.266 177 S C -1.682 172.900 174.600 -0.030 0.000 1.258 177 S CA -1.086 57.115 58.200 0.001 0.000 0.990 177 S CB 0.894 64.076 63.200 -0.030 0.000 0.967 177 S HN 0.339 nan 8.310 nan 0.000 0.556 178 P HA -0.092 nan 4.420 nan 0.000 0.216 178 P C 1.212 178.472 177.300 -0.066 0.000 1.150 178 P CA 1.311 64.386 63.100 -0.040 0.000 0.837 178 P CB -0.001 31.679 31.700 -0.033 0.000 0.786 179 E N -0.322 119.827 120.200 -0.086 0.000 2.077 179 E HA -0.201 4.150 4.350 0.001 0.000 0.193 179 E C 1.962 178.465 176.600 -0.162 0.000 0.989 179 E CA 1.021 57.353 56.400 -0.113 0.000 0.800 179 E CB -0.274 29.341 29.700 -0.142 0.000 0.746 179 E HN 0.438 nan 8.360 nan 0.000 0.452 180 E N 0.391 120.480 120.200 -0.186 0.000 2.106 180 E HA -0.153 4.197 4.350 0.001 0.000 0.192 180 E C 2.124 178.557 176.600 -0.280 0.000 0.984 180 E CA 0.668 56.870 56.400 -0.331 0.000 0.806 180 E CB -0.031 29.545 29.700 -0.207 0.000 0.750 180 E HN 0.256 nan 8.360 nan 0.000 0.458 181 I N 1.198 121.685 120.570 -0.138 0.000 2.226 181 I HA -0.268 3.902 4.170 0.001 0.000 0.245 181 I C 2.507 178.577 176.117 -0.078 0.000 1.100 181 I CA 0.952 62.200 61.300 -0.087 0.000 1.374 181 I CB -0.225 37.749 38.000 -0.044 0.000 1.057 181 I HN 0.076 nan 8.210 nan 0.000 0.413 182 A N 0.167 122.942 122.820 -0.075 0.000 1.933 182 A HA -0.146 4.174 4.320 0.001 0.000 0.218 182 A C 2.417 179.986 177.584 -0.026 0.000 1.175 182 A CA 1.715 53.727 52.037 -0.043 0.000 0.628 182 A CB -0.884 18.096 19.000 -0.033 0.000 0.814 182 A HN 0.246 nan 8.150 nan 0.000 0.444 183 V N -0.204 119.666 119.914 -0.073 0.000 2.358 183 V HA -0.206 3.914 4.120 0.001 0.000 0.246 183 V C 2.515 178.625 176.094 0.026 0.000 1.047 183 V CA 1.798 64.097 62.300 -0.001 0.000 1.035 183 V CB -0.660 31.061 31.823 -0.170 0.000 0.658 183 V HN 0.554 nan 8.190 nan 0.000 0.452 184 L N -0.586 120.584 121.223 -0.089 0.000 2.141 184 L HA -0.139 4.201 4.340 0.001 0.000 0.209 184 L C 2.693 179.572 176.870 0.016 0.000 1.094 184 L CA 1.474 56.314 54.840 -0.000 0.000 0.763 184 L CB -0.504 41.547 42.059 -0.013 0.000 0.908 184 L HN 0.216 nan 8.230 nan 0.000 0.437 185 R N -0.056 120.439 120.500 -0.009 0.000 2.073 185 R HA -0.220 4.120 4.340 0.001 0.000 0.234 185 R C 2.471 178.750 176.300 -0.035 0.000 1.134 185 R CA 1.511 57.602 56.100 -0.014 0.000 0.952 185 R CB -0.085 30.204 30.300 -0.019 0.000 0.850 185 R HN 0.063 nan 8.270 nan 0.000 0.433 186 R N 0.453 120.928 120.500 -0.043 0.000 2.081 186 R HA -0.030 4.310 4.340 0.001 0.000 0.235 186 R C 1.889 178.061 176.300 -0.214 0.000 1.131 186 R CA 1.841 57.851 56.100 -0.150 0.000 0.960 186 R CB -0.671 29.526 30.300 -0.172 0.000 0.856 186 R HN 0.319 nan 8.270 nan 0.000 0.436 187 A N -0.526 122.251 122.820 -0.071 0.000 1.902 187 A HA -0.027 4.294 4.320 0.001 0.000 0.217 187 A C 2.374 179.941 177.584 -0.029 0.000 1.181 187 A CA 1.681 53.700 52.037 -0.031 0.000 0.623 187 A CB -1.366 17.704 19.000 0.118 0.000 0.818 187 A HN 0.510 nan 8.150 nan 0.000 0.443 188 G N -0.557 108.243 108.800 -0.000 0.000 2.418 188 G HA2 -0.242 3.718 3.960 0.001 0.000 0.217 188 G HA3 -0.242 3.718 3.960 0.001 0.000 0.217 188 G C 1.482 176.384 174.900 0.002 0.000 1.158 188 G CA 1.378 46.489 45.100 0.018 0.000 0.771 188 G HN 0.597 nan 8.290 nan 0.000 0.545 189 E N 0.347 120.519 120.200 -0.046 0.000 2.072 189 E HA 0.018 4.368 4.350 0.001 0.000 0.190 189 E C 2.443 178.992 176.600 -0.084 0.000 0.982 189 E CA 0.489 56.849 56.400 -0.067 0.000 0.803 189 E CB -0.292 29.345 29.700 -0.105 0.000 0.755 189 E HN 0.483 nan 8.360 nan 0.000 0.453 190 I N 0.272 120.762 120.570 -0.134 0.000 2.163 190 I HA -0.285 3.885 4.170 0.001 0.000 0.243 190 I C 2.138 178.351 176.117 0.160 0.000 1.085 190 I CA 1.610 62.862 61.300 -0.080 0.000 1.347 190 I CB -0.426 37.500 38.000 -0.123 0.000 1.044 190 I HN 0.174 nan 8.210 nan 0.000 0.408 191 T N 0.644 115.285 114.554 0.146 0.000 2.821 191 T HA -0.109 4.241 4.350 0.001 0.000 0.267 191 T C 2.037 176.964 174.700 0.379 0.000 1.046 191 T CA 1.328 63.638 62.100 0.350 0.000 1.139 191 T CB -0.269 68.737 68.868 0.229 0.000 0.871 191 T HN 0.472 nan 8.240 nan 0.000 0.454 192 A N 1.363 124.302 122.820 0.198 0.000 1.902 192 A HA -0.019 4.302 4.320 0.001 0.000 0.217 192 A C 2.324 180.013 177.584 0.176 0.000 1.181 192 A CA 1.375 53.508 52.037 0.159 0.000 0.623 192 A CB -0.660 18.382 19.000 0.070 0.000 0.818 192 A HN 0.439 nan 8.150 nan 0.000 0.443 193 M N -0.657 119.028 119.600 0.142 0.000 2.159 193 M HA -0.151 4.330 4.480 0.001 0.000 0.263 193 M C 2.489 178.896 176.300 0.178 0.000 1.063 193 M CA 1.314 56.695 55.300 0.136 0.000 1.110 193 M CB -0.356 32.310 32.600 0.110 0.000 1.374 193 M HN 0.512 nan 8.290 nan 0.000 0.411 194 A N -0.560 122.404 122.820 0.240 0.000 1.898 194 A HA -0.176 4.145 4.320 0.001 0.000 0.216 194 A C 1.853 179.472 177.584 0.059 0.000 1.181 194 A CA 1.359 53.476 52.037 0.134 0.000 0.620 194 A CB -1.051 18.015 19.000 0.109 0.000 0.819 194 A HN 0.483 nan 8.150 nan 0.000 0.442 195 H N -0.761 118.376 119.070 0.112 0.000 2.389 195 H HA -0.077 4.479 4.556 0.000 0.000 0.299 195 H C 2.238 177.571 175.328 0.009 0.000 1.081 195 H CA 1.767 57.869 56.048 0.089 0.000 1.345 195 H CB -0.174 29.668 29.762 0.132 0.000 1.393 195 H HN 0.454 nan 8.280 nan 0.000 0.520 196 T N 0.588 115.220 114.554 0.131 0.000 2.708 196 T HA -0.155 4.196 4.350 0.001 0.000 0.266 196 T C 2.104 176.792 174.700 -0.021 0.000 1.037 196 T CA 1.225 63.343 62.100 0.030 0.000 1.146 196 T CB -0.033 68.863 68.868 0.046 0.000 0.865 196 T HN 0.357 nan 8.240 nan 0.000 0.435 197 R N 0.786 121.291 120.500 0.009 0.000 2.081 197 R HA -0.018 4.322 4.340 0.001 0.000 0.235 197 R C 2.582 178.854 176.300 -0.045 0.000 1.131 197 R CA 1.344 57.437 56.100 -0.012 0.000 0.960 197 R CB -0.431 29.879 30.300 0.016 0.000 0.856 197 R HN 0.360 nan 8.270 nan 0.000 0.436 198 A N 1.010 123.800 122.820 -0.050 0.000 1.908 198 A HA -0.197 4.123 4.320 0.001 0.000 0.218 198 A C 2.233 179.766 177.584 -0.085 0.000 1.181 198 A CA 1.697 53.717 52.037 -0.029 0.000 0.627 198 A CB -0.477 18.529 19.000 0.010 0.000 0.818 198 A HN 0.376 nan 8.150 nan 0.000 0.445 199 M N -0.952 118.467 119.600 -0.302 0.000 2.117 199 M HA -0.181 4.299 4.480 0.001 0.000 0.262 199 M C 2.039 178.164 176.300 -0.290 0.000 1.065 199 M CA 1.764 56.679 55.300 -0.642 0.000 1.114 199 M CB -0.434 31.731 32.600 -0.725 0.000 1.361 199 M HN 0.502 nan 8.290 nan 0.000 0.408 200 E N -0.171 119.930 120.200 -0.165 0.000 2.150 200 E HA -0.141 4.210 4.350 0.001 0.000 0.193 200 E C 1.841 178.403 176.600 -0.063 0.000 0.985 200 E CA 0.717 57.060 56.400 -0.095 0.000 0.814 200 E CB 0.117 29.779 29.700 -0.063 0.000 0.752 200 E HN 0.335 nan 8.360 nan 0.000 0.466 201 K N 0.253 120.622 120.400 -0.051 0.000 2.323 201 K HA 0.052 4.373 4.320 0.001 0.000 0.197 201 K C 0.832 177.427 176.600 -0.009 0.000 1.043 201 K CA -0.003 56.264 56.287 -0.033 0.000 0.997 201 K CB -0.271 32.207 32.500 -0.036 0.000 0.807 201 K HN 0.097 nan 8.250 nan 0.000 0.497 202 C N 3.513 122.830 119.300 0.029 0.000 2.633 202 C HA 0.138 4.598 4.460 0.001 0.000 0.415 202 C C 0.112 175.128 174.990 0.043 0.000 1.393 202 C CA -0.156 58.915 59.018 0.088 0.000 1.700 202 C CB -0.753 27.151 27.740 0.273 0.000 2.541 202 C HN 0.252 nan 8.230 nan 0.000 0.603 203 R N 5.076 125.586 120.500 0.017 0.000 2.771 203 R HA 0.484 4.824 4.340 0.001 0.000 0.274 203 R C -2.877 173.409 176.300 -0.024 0.000 0.987 203 R CA -2.172 53.924 56.100 -0.007 0.000 0.908 203 R CB 0.868 31.155 30.300 -0.021 0.000 1.213 203 R HN 0.426 nan 8.270 nan 0.000 0.468 204 P HA 0.055 nan 4.420 nan 0.000 0.265 204 P C 0.798 178.057 177.300 -0.069 0.000 1.193 204 P CA 1.070 64.132 63.100 -0.063 0.000 0.765 204 P CB 0.449 32.115 31.700 -0.057 0.000 0.823 205 G N 1.577 110.309 108.800 -0.112 0.000 2.279 205 G HA2 -0.254 3.706 3.960 0.001 0.000 0.223 205 G HA3 -0.254 3.706 3.960 0.001 0.000 0.223 205 G C 0.270 175.109 174.900 -0.102 0.000 1.015 205 G CA -0.164 44.866 45.100 -0.116 0.000 0.621 205 G HN 0.463 nan 8.290 nan 0.000 0.506 206 M N 0.593 120.172 119.600 -0.036 0.000 2.232 206 M HA 0.535 5.016 4.480 0.001 0.000 0.321 206 M C 0.278 176.560 176.300 -0.029 0.000 1.101 206 M CA 0.124 55.495 55.300 0.119 0.000 1.181 206 M CB 0.272 32.929 32.600 0.095 0.000 1.432 206 M HN 0.096 nan 8.290 nan 0.000 0.457 207 F N 0.401 120.286 119.950 -0.108 0.000 2.378 207 F HA 0.179 4.706 4.527 0.000 0.000 0.325 207 F C 1.478 177.032 175.800 -0.410 0.000 1.097 207 F CA -0.329 57.389 58.000 -0.471 0.000 1.079 207 F CB 0.606 38.909 39.000 -1.163 0.000 1.240 207 F HN 0.644 nan 8.300 nan 0.000 0.519 208 E N 0.407 120.553 120.200 -0.090 0.000 2.097 208 E HA -0.294 4.057 4.350 0.001 0.000 0.196 208 E C 1.758 178.357 176.600 -0.002 0.000 1.000 208 E CA 2.208 58.609 56.400 0.002 0.000 0.804 208 E CB -0.363 29.418 29.700 0.134 0.000 0.740 208 E HN 0.768 nan 8.360 nan 0.000 0.454 209 Y N -1.020 119.300 120.300 0.034 0.000 2.421 209 Y HA -0.105 4.445 4.550 0.000 0.000 0.292 209 Y C 1.667 177.541 175.900 -0.044 0.000 1.136 209 Y CA 1.310 59.380 58.100 -0.051 0.000 1.255 209 Y CB -1.030 37.366 38.460 -0.106 0.000 0.991 209 Y HN 0.127 nan 8.280 nan 0.000 0.552 210 H N 0.425 119.433 119.070 -0.104 0.000 2.387 210 H HA -0.089 4.468 4.556 0.001 0.000 0.299 210 H C 1.989 177.300 175.328 -0.027 0.000 1.090 210 H CA 1.646 57.681 56.048 -0.022 0.000 1.332 210 H CB -0.057 29.656 29.762 -0.081 0.000 1.386 210 H HN 0.334 nan 8.280 nan 0.000 0.516 211 L N 0.350 121.624 121.223 0.084 0.000 2.093 211 L HA -0.156 4.185 4.340 0.001 0.000 0.208 211 L C 2.556 179.380 176.870 -0.077 0.000 1.085 211 L CA 1.242 56.095 54.840 0.021 0.000 0.755 211 L CB -0.401 41.689 42.059 0.053 0.000 0.904 211 L HN 0.428 nan 8.230 nan 0.000 0.435 212 E N 0.793 120.933 120.200 -0.100 0.000 2.058 212 E HA -0.213 4.137 4.350 0.001 0.000 0.194 212 E C 2.179 178.524 176.600 -0.424 0.000 0.997 212 E CA 1.435 57.646 56.400 -0.315 0.000 0.801 212 E CB -0.194 29.372 29.700 -0.222 0.000 0.746 212 E HN 0.427 nan 8.360 nan 0.000 0.450 213 G N 0.917 109.635 108.800 -0.138 0.000 2.440 213 G HA2 -0.272 3.688 3.960 0.001 0.000 0.218 213 G HA3 -0.272 3.688 3.960 0.001 0.000 0.218 213 G C 1.444 176.319 174.900 -0.043 0.000 1.154 213 G CA 0.826 45.903 45.100 -0.038 0.000 0.767 213 G HN 0.230 nan 8.290 nan 0.000 0.552 214 E N 0.486 120.649 120.200 -0.062 0.000 2.077 214 E HA -0.069 4.281 4.350 0.001 0.000 0.193 214 E C 2.595 179.132 176.600 -0.104 0.000 0.989 214 E CA 0.539 56.901 56.400 -0.063 0.000 0.800 214 E CB -0.242 29.422 29.700 -0.059 0.000 0.746 214 E HN 0.528 nan 8.360 nan 0.000 0.452 215 I N 0.498 120.924 120.570 -0.240 0.000 2.179 215 I HA -0.272 3.898 4.170 0.001 0.000 0.242 215 I C 2.353 178.119 176.117 -0.584 0.000 1.088 215 I CA 1.281 62.313 61.300 -0.447 0.000 1.357 215 I CB -0.354 37.321 38.000 -0.542 0.000 1.051 215 I HN 0.182 nan 8.210 nan 0.000 0.409 216 H N -1.349 117.466 119.070 -0.425 0.000 2.389 216 H HA -0.200 4.357 4.556 0.000 0.000 0.299 216 H C 2.230 177.513 175.328 -0.074 0.000 1.081 216 H CA 1.137 57.024 56.048 -0.269 0.000 1.345 216 H CB -0.061 29.667 29.762 -0.058 0.000 1.393 216 H HN 0.384 nan 8.280 nan 0.000 0.520 217 H N 1.106 120.183 119.070 0.011 0.000 2.387 217 H HA -0.131 4.425 4.556 0.000 0.000 0.299 217 H C 2.080 177.400 175.328 -0.014 0.000 1.090 217 H CA 1.680 57.731 56.048 0.006 0.000 1.332 217 H CB 0.329 30.085 29.762 -0.010 0.000 1.386 217 H HN 0.346 nan 8.280 nan 0.000 0.516 218 E N 0.114 120.366 120.200 0.087 0.000 2.072 218 E HA -0.116 4.234 4.350 0.001 0.000 0.191 218 E C 2.146 178.857 176.600 0.185 0.000 0.985 218 E CA 0.880 57.329 56.400 0.081 0.000 0.801 218 E CB -0.380 29.394 29.700 0.123 0.000 0.750 218 E HN 0.257 nan 8.360 nan 0.000 0.452 219 F N 1.597 121.604 119.950 0.095 0.000 2.065 219 F HA -0.226 4.301 4.527 0.000 0.000 0.298 219 F C 2.375 178.180 175.800 0.007 0.000 1.112 219 F CA 1.565 59.618 58.000 0.089 0.000 1.212 219 F CB -1.563 37.483 39.000 0.076 0.000 0.975 219 F HN 0.275 nan 8.300 nan 0.000 0.476 220 N N 0.805 119.586 118.700 0.136 0.000 2.223 220 N HA -0.228 4.512 4.740 0.001 0.000 0.185 220 N C 2.117 177.556 175.510 -0.117 0.000 1.016 220 N CA 1.138 54.171 53.050 -0.029 0.000 0.863 220 N CB -0.240 38.189 38.487 -0.097 0.000 0.983 220 N HN 0.300 nan 8.380 nan 0.000 0.429 221 R N -0.458 119.897 120.500 -0.242 0.000 2.120 221 R HA -0.081 4.259 4.340 0.001 0.000 0.234 221 R C 1.042 177.145 176.300 -0.328 0.000 1.123 221 R CA 1.241 57.121 56.100 -0.367 0.000 0.975 221 R CB -0.124 29.867 30.300 -0.515 0.000 0.866 221 R HN 0.405 nan 8.270 nan 0.000 0.446 222 H N -1.671 117.409 119.070 0.016 0.000 2.517 222 H HA 0.230 4.786 4.556 0.000 0.000 0.282 222 H C 0.865 176.228 175.328 0.058 0.000 1.023 222 H CA 0.705 56.760 56.048 0.012 0.000 1.169 222 H CB 1.133 30.878 29.762 -0.029 0.000 1.454 222 H HN 0.522 nan 8.280 nan 0.000 0.556 223 G N 0.830 109.718 108.800 0.146 0.000 2.141 223 G HA2 -0.220 3.740 3.960 0.001 0.000 0.231 223 G HA3 -0.220 3.740 3.960 0.001 0.000 0.231 223 G C 0.382 175.424 174.900 0.237 0.000 0.984 223 G CA 0.082 45.292 45.100 0.184 0.000 0.660 223 G HN 0.625 nan 8.290 nan 0.000 0.525 224 A N 0.226 123.167 122.820 0.201 0.000 2.540 224 A HA 0.741 5.062 4.320 0.001 0.000 0.340 224 A C 1.254 178.835 177.584 -0.004 0.000 1.424 224 A CA 0.202 52.326 52.037 0.145 0.000 0.940 224 A CB 0.143 19.212 19.000 0.115 0.000 1.149 224 A HN 0.377 nan 8.150 nan 0.000 0.505 225 R N 0.534 120.923 120.500 -0.185 0.000 2.096 225 R HA -0.063 4.277 4.340 0.001 0.000 0.235 225 R C -0.518 175.509 176.300 -0.456 0.000 1.127 225 R CA 1.399 57.233 56.100 -0.443 0.000 0.968 225 R CB -0.074 29.689 30.300 -0.895 0.000 0.861 225 R HN 0.722 nan 8.270 nan 0.000 0.440 226 Y N -0.450 119.851 120.300 0.001 0.000 2.485 226 Y HA 0.382 4.933 4.550 0.001 0.000 0.345 226 Y C -2.201 173.662 175.900 -0.062 0.000 0.998 226 Y CA -4.091 53.981 58.100 -0.047 0.000 1.059 226 Y CB 0.746 39.163 38.460 -0.072 0.000 1.234 226 Y HN -0.145 nan 8.280 nan 0.000 0.461 227 P HA 0.077 nan 4.420 nan 0.000 0.272 227 P C 0.428 177.695 177.300 -0.055 0.000 1.223 227 P CA -0.104 62.999 63.100 0.006 0.000 0.784 227 P CB 0.843 32.554 31.700 0.019 0.000 0.923 228 S N 0.350 115.984 115.700 -0.111 0.000 2.527 228 S HA 0.050 4.520 4.470 0.001 0.000 0.222 228 S C 0.268 174.949 174.600 0.135 0.000 0.985 228 S CA 0.499 58.712 58.200 0.021 0.000 0.921 228 S CB -0.980 62.291 63.200 0.118 0.000 0.772 228 S HN 0.604 nan 8.310 nan 0.000 0.529 229 Y N -1.529 118.792 120.300 0.035 0.000 2.750 229 Y HA 0.577 5.127 4.550 0.001 0.000 0.335 229 Y C -1.349 174.603 175.900 0.087 0.000 1.252 229 Y CA -1.914 56.198 58.100 0.020 0.000 1.064 229 Y CB -0.209 38.247 38.460 -0.006 0.000 1.321 229 Y HN -0.253 nan 8.280 nan 0.000 0.451 230 N N 1.423 120.245 118.700 0.204 0.000 2.452 230 N HA 0.109 4.850 4.740 0.001 0.000 0.266 230 N C -0.532 175.098 175.510 0.201 0.000 1.209 230 N CA 0.250 53.391 53.050 0.152 0.000 0.929 230 N CB 0.892 39.460 38.487 0.134 0.000 1.063 230 N HN 0.688 nan 8.380 nan 0.000 0.472 231 T N 2.866 117.509 114.554 0.148 0.000 2.928 231 T HA 0.170 4.521 4.350 0.001 0.000 0.305 231 T C 0.834 175.633 174.700 0.166 0.000 1.035 231 T CA 0.205 62.399 62.100 0.156 0.000 1.145 231 T CB 0.148 69.115 68.868 0.165 0.000 0.963 231 T HN 0.241 nan 8.240 nan 0.000 0.545 232 I N 3.433 124.131 120.570 0.212 0.000 2.378 232 I HA 0.372 4.542 4.170 0.001 0.000 0.291 232 I C -0.483 175.758 176.117 0.207 0.000 0.992 232 I CA -0.613 60.815 61.300 0.214 0.000 1.154 232 I CB 1.798 39.944 38.000 0.243 0.000 1.315 232 I HN 0.280 nan 8.210 nan 0.000 0.448 233 V N 5.682 125.735 119.914 0.232 0.000 2.380 233 V HA 0.485 4.605 4.120 0.001 0.000 0.272 233 V C 0.344 176.620 176.094 0.304 0.000 1.011 233 V CA -0.556 61.865 62.300 0.201 0.000 0.826 233 V CB 1.247 33.146 31.823 0.127 0.000 1.040 233 V HN 0.869 nan 8.190 nan 0.000 0.441 234 G N 2.546 111.460 108.800 0.190 0.000 2.547 234 G HA2 0.534 4.495 3.960 0.001 0.000 0.327 234 G HA3 0.534 4.495 3.960 0.001 0.000 0.327 234 G C 0.091 174.917 174.900 -0.124 0.000 1.118 234 G CA -0.194 44.876 45.100 -0.050 0.000 1.022 234 G HN 0.710 nan 8.290 nan 0.000 0.464 235 S N 2.114 117.724 115.700 -0.150 0.000 2.617 235 S HA 0.828 5.299 4.470 0.001 0.000 0.283 235 S C 1.149 175.657 174.600 -0.153 0.000 1.189 235 S CA 0.341 58.452 58.200 -0.149 0.000 1.036 235 S CB 1.606 64.723 63.200 -0.137 0.000 1.014 235 S HN 2.163 nan 8.310 nan 0.000 0.522 236 G N 2.507 111.238 108.800 -0.115 0.000 2.583 236 G HA2 -0.335 3.626 3.960 0.001 0.000 0.292 236 G HA3 -0.335 3.626 3.960 0.001 0.000 0.292 236 G C 0.528 175.384 174.900 -0.073 0.000 1.203 236 G CA 0.513 45.562 45.100 -0.084 0.000 0.987 236 G HN 0.838 nan 8.290 nan 0.000 0.554 237 E N 1.232 121.388 120.200 -0.073 0.000 2.265 237 E HA -0.102 4.249 4.350 0.001 0.000 0.196 237 E C 2.259 178.783 176.600 -0.127 0.000 0.996 237 E CA 0.922 57.286 56.400 -0.060 0.000 0.832 237 E CB -0.167 29.507 29.700 -0.044 0.000 0.756 237 E HN 0.434 nan 8.360 nan 0.000 0.491 238 N N 0.664 119.201 118.700 -0.272 0.000 2.289 238 N HA -0.106 4.634 4.740 0.001 0.000 0.184 238 N C 1.859 177.154 175.510 -0.359 0.000 1.016 238 N CA 1.121 53.823 53.050 -0.580 0.000 0.872 238 N CB -0.516 37.236 38.487 -1.226 0.000 0.973 238 N HN 0.242 nan 8.380 nan 0.000 0.433 239 G N 0.298 109.005 108.800 -0.156 0.000 2.462 239 G HA2 -0.223 3.737 3.960 0.001 0.000 0.220 239 G HA3 -0.223 3.737 3.960 0.001 0.000 0.220 239 G C 1.480 176.455 174.900 0.125 0.000 1.121 239 G CA 0.697 45.806 45.100 0.016 0.000 0.758 239 G HN 0.386 nan 8.290 nan 0.000 0.559 240 C N 0.336 119.685 119.300 0.083 0.000 2.539 240 C HA 0.386 4.846 4.460 0.001 0.000 0.271 240 C C 1.013 175.976 174.990 -0.045 0.000 1.412 240 C CA -0.874 58.212 59.018 0.113 0.000 1.729 240 C CB -1.162 26.650 27.740 0.120 0.000 1.739 240 C HN 0.273 nan 8.230 nan 0.000 0.570 241 I N 1.302 121.845 120.570 -0.045 0.000 2.312 241 I HA 0.131 4.301 4.170 0.001 0.000 0.290 241 I C 1.049 177.152 176.117 -0.024 0.000 1.008 241 I CA -0.215 61.076 61.300 -0.014 0.000 1.226 241 I CB 0.994 39.046 38.000 0.087 0.000 1.371 241 I HN 0.187 nan 8.210 nan 0.000 0.468 242 L N 4.809 125.964 121.223 -0.113 0.000 2.012 242 L HA -0.180 4.160 4.340 0.001 0.000 0.210 242 L C 0.846 177.588 176.870 -0.213 0.000 1.073 242 L CA 1.591 56.300 54.840 -0.218 0.000 0.748 242 L CB -0.525 41.386 42.059 -0.247 0.000 0.891 242 L HN 0.695 nan 8.230 nan 0.000 0.431 243 H N -2.244 116.843 119.070 0.029 0.000 2.507 243 H HA 0.145 4.701 4.556 0.001 0.000 0.271 243 H C -0.762 174.637 175.328 0.117 0.000 1.224 243 H CA -0.685 55.405 56.048 0.071 0.000 1.000 243 H CB -0.367 29.414 29.762 0.031 0.000 1.663 243 H HN 0.097 nan 8.280 nan 0.000 0.548 244 Y N 2.112 122.465 120.300 0.087 0.000 2.650 244 Y HA 0.021 4.572 4.550 0.001 0.000 0.342 244 Y C 0.987 176.947 175.900 0.100 0.000 1.110 244 Y CA 0.211 58.359 58.100 0.081 0.000 1.438 244 Y CB 0.502 38.996 38.460 0.056 0.000 1.181 244 Y HN 0.365 nan 8.280 nan 0.000 0.526 245 T N -0.202 114.164 114.554 -0.312 0.000 3.040 245 T HA 0.157 4.507 4.350 0.001 0.000 0.266 245 T C 1.036 175.515 174.700 -0.368 0.000 1.005 245 T CA 0.140 62.100 62.100 -0.234 0.000 0.906 245 T CB 0.127 68.969 68.868 -0.043 0.000 1.082 245 T HN 0.538 nan 8.240 nan 0.000 0.531 246 E N 2.340 122.128 120.200 -0.687 0.000 2.110 246 E HA 0.001 4.352 4.350 0.001 0.000 0.193 246 E C 0.466 176.912 176.600 -0.258 0.000 0.988 246 E CA 0.579 56.732 56.400 -0.411 0.000 0.804 246 E CB -0.298 29.207 29.700 -0.325 0.000 0.745 246 E HN 0.406 nan 8.360 nan 0.000 0.458 247 N N 1.483 119.955 118.700 -0.380 0.000 2.716 247 N HA -0.216 4.524 4.740 0.001 0.000 0.250 247 N C -0.595 175.070 175.510 0.258 0.000 1.033 247 N CA 1.467 54.570 53.050 0.089 0.000 0.727 247 N CB -1.603 36.934 38.487 0.083 0.000 0.950 247 N HN 0.628 nan 8.380 nan 0.000 0.541 251 M N 4.098 123.506 119.600 -0.319 0.000 2.188 251 M HA 0.337 4.817 4.480 0.001 0.000 0.354 251 M C 0.094 176.294 176.300 -0.167 0.000 1.342 251 M CA 0.196 55.381 55.300 -0.191 0.000 1.117 251 M CB 0.595 33.108 32.600 -0.145 0.000 1.670 251 M HN 0.198 nan 8.290 nan 0.000 0.466 252 R N 1.396 121.815 120.500 -0.135 0.000 2.428 252 R HA 0.220 4.560 4.340 0.001 0.000 0.294 252 R C -0.363 175.883 176.300 -0.089 0.000 1.000 252 R CA -0.931 55.104 56.100 -0.108 0.000 0.960 252 R CB 0.946 31.191 30.300 -0.092 0.000 1.076 252 R HN 0.591 nan 8.270 nan 0.000 0.475 253 D N 0.940 121.295 120.400 -0.075 0.000 2.531 253 D HA -0.051 4.590 4.640 0.001 0.000 0.239 253 D C 0.998 177.263 176.300 -0.059 0.000 1.144 253 D CA 2.000 55.963 54.000 -0.062 0.000 0.869 253 D CB 0.700 41.470 40.800 -0.050 0.000 1.160 253 D HN 0.800 nan 8.370 nan 0.000 0.484 254 G N 3.681 112.444 108.800 -0.061 0.000 2.232 254 G HA2 -0.209 3.751 3.960 0.001 0.000 0.226 254 G HA3 -0.209 3.751 3.960 0.001 0.000 0.226 254 G C 0.143 175.008 174.900 -0.059 0.000 0.996 254 G CA 0.109 45.177 45.100 -0.053 0.000 0.626 254 G HN 0.586 nan 8.290 nan 0.000 0.509 255 D N 0.374 120.728 120.400 -0.077 0.000 2.340 255 D HA 0.658 5.298 4.640 0.001 0.000 0.251 255 D C 1.004 177.232 176.300 -0.121 0.000 1.080 255 D CA -0.355 53.594 54.000 -0.084 0.000 0.971 255 D CB 1.102 41.846 40.800 -0.094 0.000 1.137 255 D HN 0.278 nan 8.370 nan 0.000 0.475 256 L N 0.427 121.583 121.223 -0.112 0.000 2.421 256 L HA 0.504 4.845 4.340 0.001 0.000 0.263 256 L C 0.026 176.758 176.870 -0.229 0.000 1.122 256 L CA -0.867 53.872 54.840 -0.168 0.000 0.804 256 L CB 1.313 43.337 42.059 -0.059 0.000 1.150 256 L HN 0.002 nan 8.230 nan 0.000 0.457 257 V N 3.560 123.226 119.914 -0.413 0.000 2.588 257 V HA 0.481 4.601 4.120 0.001 0.000 0.304 257 V C -0.907 174.949 176.094 -0.396 0.000 1.042 257 V CA -0.582 61.468 62.300 -0.417 0.000 0.877 257 V CB 2.050 33.566 31.823 -0.512 0.000 0.996 257 V HN 0.572 nan 8.190 nan 0.000 0.425 258 L N 7.564 128.707 121.223 -0.134 0.000 2.305 258 L HA 0.663 5.004 4.340 0.001 0.000 0.284 258 L C -1.008 175.924 176.870 0.104 0.000 1.013 258 L CA -0.399 54.461 54.840 0.033 0.000 0.819 258 L CB 1.173 43.298 42.059 0.109 0.000 1.227 258 L HN 0.635 nan 8.230 nan 0.000 0.417 259 I N 4.617 125.312 120.570 0.208 0.000 2.382 259 I HA 0.304 4.475 4.170 0.001 0.000 0.286 259 I C -1.003 175.358 176.117 0.406 0.000 1.002 259 I CA -0.469 60.991 61.300 0.265 0.000 1.135 259 I CB 1.679 39.834 38.000 0.258 0.000 1.288 259 I HN 0.519 nan 8.210 nan 0.000 0.448 260 D N 6.526 127.140 120.400 0.357 0.000 2.414 260 D HA 0.706 5.347 4.640 0.001 0.000 0.232 260 D C -1.016 175.586 176.300 0.504 0.000 1.070 260 D CA -0.051 54.212 54.000 0.439 0.000 0.839 260 D CB 1.725 42.720 40.800 0.325 0.000 1.079 260 D HN 0.679 nan 8.370 nan 0.000 0.521 261 A N 2.091 125.266 122.820 0.592 0.000 2.594 261 A HA 0.839 5.159 4.320 0.001 0.000 0.295 261 A C -0.575 177.323 177.584 0.523 0.000 1.071 261 A CA -0.442 51.828 52.037 0.389 0.000 0.685 261 A CB 1.902 21.034 19.000 0.220 0.000 1.285 261 A HN 0.503 nan 8.150 nan 0.000 0.405 262 G N -0.506 108.401 108.800 0.177 0.000 2.746 262 G HA2 0.625 4.585 3.960 0.001 0.000 0.297 262 G HA3 0.625 4.585 3.960 0.001 0.000 0.297 262 G C -0.286 174.415 174.900 -0.331 0.000 1.426 262 G CA 0.145 45.319 45.100 0.123 0.000 0.989 262 G HN 2.002 nan 8.290 nan 0.000 0.520 263 C N 0.261 119.093 119.300 -0.780 0.000 2.362 263 C HA 0.872 5.332 4.460 0.001 0.000 0.363 263 C C 0.149 174.946 174.990 -0.321 0.000 1.220 263 C CA -0.858 57.512 59.018 -1.080 0.000 2.379 263 C CB 1.298 28.225 27.740 -1.356 0.000 2.351 263 C HN 0.825 nan 8.230 nan 0.000 0.582 264 E N 0.628 120.718 120.200 -0.183 0.000 2.129 264 E HA 0.419 4.769 4.350 0.001 0.000 0.268 264 E C -2.002 174.645 176.600 0.078 0.000 0.900 264 E CA -0.371 56.022 56.400 -0.012 0.000 0.755 264 E CB 0.944 30.639 29.700 -0.008 0.000 1.117 264 E HN 0.747 nan 8.360 nan 0.000 0.410 265 Y N 5.234 125.542 120.300 0.013 0.000 2.326 265 Y HA 0.229 4.779 4.550 0.000 0.000 0.331 265 Y C -0.551 175.454 175.900 0.175 0.000 0.962 265 Y CA -1.093 57.043 58.100 0.060 0.000 1.167 265 Y CB 0.818 39.304 38.460 0.044 0.000 1.148 265 Y HN 0.517 nan 8.280 nan 0.000 0.463 266 K N 4.452 124.704 120.400 -0.247 0.000 3.035 266 K HA -0.245 4.075 4.320 0.001 0.000 0.262 266 K C 0.958 177.701 176.600 0.238 0.000 1.024 266 K CA 1.143 57.431 56.287 0.001 0.000 0.748 266 K CB -1.892 30.583 32.500 -0.040 0.000 1.247 266 K HN 1.435 nan 8.250 nan 0.000 0.482 267 G N -1.457 107.323 108.800 -0.034 0.000 2.268 267 G HA2 -0.355 3.605 3.960 0.001 0.000 0.240 267 G HA3 -0.355 3.605 3.960 0.001 0.000 0.240 267 G C -0.032 174.742 174.900 -0.210 0.000 1.010 267 G CA 0.362 45.302 45.100 -0.266 0.000 0.618 267 G HN 0.287 nan 8.290 nan 0.000 0.516 268 Y N 1.461 121.809 120.300 0.080 0.000 2.310 268 Y HA 0.664 5.214 4.550 0.001 0.000 0.326 268 Y C 0.749 176.703 175.900 0.090 0.000 1.151 268 Y CA -0.205 57.958 58.100 0.106 0.000 1.195 268 Y CB 1.612 40.154 38.460 0.137 0.000 1.210 268 Y HN 0.459 nan 8.280 nan 0.000 0.483 269 A N 1.938 124.894 122.820 0.226 0.000 2.290 269 A HA 0.666 4.986 4.320 0.001 0.000 0.310 269 A C 0.429 178.125 177.584 0.186 0.000 1.202 269 A CA -0.105 52.037 52.037 0.174 0.000 0.837 269 A CB -0.032 19.074 19.000 0.177 0.000 1.139 269 A HN 0.888 nan 8.150 nan 0.000 0.509 270 G N 0.288 109.168 108.800 0.133 0.000 2.451 270 G HA2 0.508 4.468 3.960 0.001 0.000 0.303 270 G HA3 0.508 4.468 3.960 0.001 0.000 0.303 270 G C -1.049 173.996 174.900 0.242 0.000 1.166 270 G CA -0.116 45.067 45.100 0.138 0.000 0.884 270 G HN 0.666 nan 8.290 nan 0.000 0.514 271 D N 0.252 120.805 120.400 0.255 0.000 2.318 271 D HA 0.232 4.872 4.640 0.001 0.000 0.233 271 D C -0.668 175.775 176.300 0.238 0.000 1.348 271 D CA -0.358 53.855 54.000 0.355 0.000 0.983 271 D CB 0.311 41.301 40.800 0.318 0.000 1.416 271 D HN 0.250 nan 8.370 nan 0.000 0.558 272 I N 1.642 122.360 120.570 0.247 0.000 2.530 272 I HA 0.469 4.639 4.170 0.001 0.000 0.297 272 I C 0.013 176.179 176.117 0.081 0.000 1.011 272 I CA -0.583 60.730 61.300 0.023 0.000 1.107 272 I CB 2.364 40.177 38.000 -0.312 0.000 1.285 272 I HN 0.131 nan 8.210 nan 0.000 0.436 273 T N 5.183 119.770 114.554 0.054 0.000 2.861 273 T HA 0.567 4.918 4.350 0.001 0.000 0.287 273 T C -0.495 174.293 174.700 0.146 0.000 1.003 273 T CA -0.850 61.356 62.100 0.177 0.000 0.977 273 T CB 1.580 70.571 68.868 0.205 0.000 0.996 273 T HN 0.340 nan 8.240 nan 0.000 0.448 274 R N 1.598 122.279 120.500 0.300 0.000 2.621 274 R HA 0.656 4.996 4.340 0.001 0.000 0.284 274 R C -0.939 175.632 176.300 0.452 0.000 0.998 274 R CA -0.676 55.649 56.100 0.375 0.000 0.895 274 R CB 2.177 32.729 30.300 0.419 0.000 1.195 274 R HN 0.632 nan 8.270 nan 0.000 0.450 275 T N 3.604 118.436 114.554 0.463 0.000 2.856 275 T HA 0.765 5.115 4.350 0.001 0.000 0.283 275 T C -0.661 174.314 174.700 0.459 0.000 1.008 275 T CA -0.502 61.816 62.100 0.362 0.000 0.997 275 T CB 0.785 69.856 68.868 0.339 0.000 0.992 275 T HN 0.464 nan 8.240 nan 0.000 0.454 276 F N 0.519 120.509 119.950 0.067 0.000 2.693 276 F HA 0.706 5.233 4.527 0.001 0.000 0.309 276 F C -3.207 172.403 175.800 -0.317 0.000 1.129 276 F CA -2.841 55.049 58.000 -0.184 0.000 0.948 276 F CB 0.643 39.575 39.000 -0.114 0.000 1.315 276 F HN 0.213 nan 8.300 nan 0.000 0.447 277 P HA 0.125 nan 4.420 nan 0.000 0.276 277 P C 0.720 177.949 177.300 -0.118 0.000 1.235 277 P CA -0.133 62.754 63.100 -0.355 0.000 0.772 277 P CB 1.955 33.349 31.700 -0.510 0.000 0.871 278 V N 3.054 122.878 119.914 -0.151 0.000 2.380 278 V HA -0.275 3.846 4.120 0.001 0.000 0.251 278 V C 2.057 178.139 176.094 -0.021 0.000 1.063 278 V CA 2.624 64.881 62.300 -0.071 0.000 1.055 278 V CB -1.315 30.442 31.823 -0.110 0.000 0.657 278 V HN 0.667 nan 8.190 nan 0.000 0.455 279 N N 0.171 118.836 118.700 -0.058 0.000 2.336 279 N HA 0.176 4.917 4.740 0.001 0.000 0.189 279 N C 1.272 176.754 175.510 -0.046 0.000 1.113 279 N CA 0.922 53.944 53.050 -0.046 0.000 0.858 279 N CB 0.415 38.871 38.487 -0.051 0.000 0.970 279 N HN 0.462 nan 8.380 nan 0.000 0.471 280 G N -0.408 108.358 108.800 -0.058 0.000 2.179 280 G HA2 -0.297 3.663 3.960 0.001 0.000 0.260 280 G HA3 -0.297 3.663 3.960 0.001 0.000 0.260 280 G C -0.135 174.710 174.900 -0.091 0.000 0.977 280 G CA 0.464 45.523 45.100 -0.067 0.000 0.641 280 G HN 0.640 nan 8.290 nan 0.000 0.533 281 K N 0.278 120.608 120.400 -0.117 0.000 2.690 281 K HA 0.626 4.946 4.320 0.001 0.000 0.243 281 K C -0.121 176.443 176.600 -0.060 0.000 0.982 281 K CA -1.375 54.880 56.287 -0.054 0.000 0.955 281 K CB -0.150 32.342 32.500 -0.013 0.000 1.185 281 K HN 0.002 nan 8.250 nan 0.000 0.467 282 F N 2.473 122.406 119.950 -0.029 0.000 2.623 282 F HA 0.007 4.534 4.527 0.000 0.000 0.383 282 F C 1.607 177.398 175.800 -0.016 0.000 1.077 282 F CA 0.857 58.838 58.000 -0.031 0.000 1.268 282 F CB 0.300 39.264 39.000 -0.059 0.000 1.053 282 F HN 0.539 nan 8.300 nan 0.000 0.571 283 T N 0.002 114.655 114.554 0.166 0.000 2.766 283 T HA 0.087 4.438 4.350 0.001 0.000 0.295 283 T C 0.987 175.758 174.700 0.118 0.000 1.024 283 T CA -0.715 61.446 62.100 0.102 0.000 1.018 283 T CB 0.997 69.899 68.868 0.056 0.000 1.002 283 T HN 0.630 nan 8.240 nan 0.000 0.532 284 Q N 1.122 120.962 119.800 0.067 0.000 2.077 284 Q HA -0.101 4.239 4.340 0.001 0.000 0.206 284 Q C 2.384 178.437 176.000 0.088 0.000 0.989 284 Q CA 2.503 58.340 55.803 0.058 0.000 0.853 284 Q CB -1.171 27.583 28.738 0.028 0.000 0.907 284 Q HN 0.916 nan 8.270 nan 0.000 0.418 285 A N -0.099 122.765 122.820 0.073 0.000 1.902 285 A HA -0.238 4.083 4.320 0.001 0.000 0.217 285 A C 2.036 179.761 177.584 0.234 0.000 1.181 285 A CA 1.681 53.800 52.037 0.137 0.000 0.623 285 A CB -0.586 18.368 19.000 -0.076 0.000 0.818 285 A HN 0.590 nan 8.150 nan 0.000 0.443 286 Q N -1.226 118.692 119.800 0.196 0.000 2.079 286 Q HA -0.178 4.162 4.340 0.001 0.000 0.200 286 Q C 2.323 178.468 176.000 0.241 0.000 0.974 286 Q CA 1.560 57.519 55.803 0.260 0.000 0.840 286 Q CB -0.184 28.742 28.738 0.314 0.000 0.898 286 Q HN 0.541 nan 8.270 nan 0.000 0.430 287 R N 1.445 122.031 120.500 0.143 0.000 2.096 287 R HA -0.153 4.187 4.340 0.001 0.000 0.235 287 R C 1.516 177.811 176.300 -0.008 0.000 1.127 287 R CA 1.694 57.744 56.100 -0.083 0.000 0.968 287 R CB -0.096 30.152 30.300 -0.087 0.000 0.861 287 R HN 0.310 nan 8.270 nan 0.000 0.440 288 E N -0.463 119.772 120.200 0.060 0.000 2.072 288 E HA -0.103 4.247 4.350 0.001 0.000 0.190 288 E C 1.732 178.313 176.600 -0.032 0.000 0.982 288 E CA 1.087 57.506 56.400 0.030 0.000 0.803 288 E CB -0.008 29.758 29.700 0.110 0.000 0.755 288 E HN 0.253 nan 8.360 nan 0.000 0.453 289 I N 0.248 120.817 120.570 -0.001 0.000 2.286 289 I HA -0.225 3.945 4.170 0.001 0.000 0.245 289 I C 2.231 178.310 176.117 -0.062 0.000 1.104 289 I CA 1.190 62.446 61.300 -0.074 0.000 1.397 289 I CB -1.076 36.906 38.000 -0.031 0.000 1.072 289 I HN 0.166 nan 8.210 nan 0.000 0.417 290 Y N 2.470 122.714 120.300 -0.093 0.000 2.114 290 Y HA -0.305 4.245 4.550 0.001 0.000 0.282 290 Y C 2.341 178.150 175.900 -0.152 0.000 1.165 290 Y CA 1.996 60.024 58.100 -0.120 0.000 1.148 290 Y CB -0.197 38.117 38.460 -0.243 0.000 0.972 290 Y HN 0.207 nan 8.280 nan 0.000 0.504 291 D N 0.000 120.374 120.400 -0.044 0.000 2.144 291 D HA -0.186 4.455 4.640 0.001 0.000 0.199 291 D C 2.261 178.463 176.300 -0.163 0.000 0.984 291 D CA 1.679 55.627 54.000 -0.087 0.000 0.834 291 D CB -0.286 40.477 40.800 -0.061 0.000 0.955 291 D HN 0.461 nan 8.370 nan 0.000 0.465 292 I N 0.293 120.755 120.570 -0.181 0.000 2.252 292 I HA -0.212 3.958 4.170 0.001 0.000 0.245 292 I C 2.368 178.330 176.117 -0.258 0.000 1.102 292 I CA 0.559 61.736 61.300 -0.205 0.000 1.385 292 I CB -0.137 37.737 38.000 -0.210 0.000 1.064 292 I HN -0.114 nan 8.210 nan 0.000 0.414 293 V N 0.717 120.439 119.914 -0.319 0.000 2.343 293 V HA -0.260 3.860 4.120 0.001 0.000 0.247 293 V C 2.384 178.266 176.094 -0.354 0.000 1.051 293 V CA 1.571 63.652 62.300 -0.364 0.000 1.036 293 V CB -0.595 30.985 31.823 -0.406 0.000 0.654 293 V HN 0.359 nan 8.190 nan 0.000 0.451 294 L N 0.386 121.360 121.223 -0.416 0.000 2.056 294 L HA -0.147 4.193 4.340 0.001 0.000 0.207 294 L C 2.450 179.213 176.870 -0.178 0.000 1.078 294 L CA 2.196 56.855 54.840 -0.302 0.000 0.749 294 L CB -0.711 41.197 42.059 -0.251 0.000 0.901 294 L HN 0.436 nan 8.230 nan 0.000 0.433 295 E N -0.997 119.101 120.200 -0.170 0.000 2.077 295 E HA -0.208 4.142 4.350 0.001 0.000 0.193 295 E C 2.050 178.564 176.600 -0.143 0.000 0.989 295 E CA 1.393 57.714 56.400 -0.133 0.000 0.800 295 E CB -0.012 29.611 29.700 -0.127 0.000 0.746 295 E HN 0.600 nan 8.360 nan 0.000 0.452 296 S N 0.796 116.386 115.700 -0.185 0.000 2.359 296 S HA -0.181 4.290 4.470 0.001 0.000 0.224 296 S C 1.838 176.345 174.600 -0.155 0.000 1.035 296 S CA 1.146 59.227 58.200 -0.197 0.000 1.018 296 S CB -0.320 62.713 63.200 -0.279 0.000 0.876 296 S HN 0.276 nan 8.310 nan 0.000 0.448 297 L N 1.962 123.102 121.223 -0.139 0.000 2.027 297 L HA -0.018 4.322 4.340 0.001 0.000 0.206 297 L C 2.055 178.895 176.870 -0.050 0.000 1.074 297 L CA 1.813 56.606 54.840 -0.079 0.000 0.745 297 L CB -0.827 41.187 42.059 -0.074 0.000 0.898 297 L HN 0.230 nan 8.230 nan 0.000 0.433 298 E N -1.060 119.104 120.200 -0.060 0.000 2.110 298 E HA -0.201 4.149 4.350 0.001 0.000 0.193 298 E C 1.920 178.492 176.600 -0.046 0.000 0.988 298 E CA 1.758 58.135 56.400 -0.039 0.000 0.804 298 E CB -0.212 29.464 29.700 -0.040 0.000 0.745 298 E HN 0.552 nan 8.360 nan 0.000 0.458 299 T N 0.385 114.895 114.554 -0.073 0.000 2.777 299 T HA -0.109 4.242 4.350 0.001 0.000 0.266 299 T C 2.141 176.777 174.700 -0.107 0.000 1.040 299 T CA 1.231 63.279 62.100 -0.087 0.000 1.141 299 T CB -0.152 68.652 68.868 -0.107 0.000 0.868 299 T HN 0.041 nan 8.240 nan 0.000 0.444 300 S N 1.383 117.011 115.700 -0.121 0.000 2.368 300 S HA 0.020 4.490 4.470 0.001 0.000 0.225 300 S C 2.025 176.590 174.600 -0.057 0.000 1.030 300 S CA 0.893 58.983 58.200 -0.183 0.000 0.999 300 S CB -0.479 62.658 63.200 -0.105 0.000 0.844 300 S HN 0.359 nan 8.310 nan 0.000 0.459 301 L N 1.103 122.348 121.223 0.036 0.000 2.131 301 L HA -0.096 4.244 4.340 0.001 0.000 0.210 301 L C 2.677 179.584 176.870 0.061 0.000 1.092 301 L CA 1.306 56.201 54.840 0.092 0.000 0.759 301 L CB -0.419 41.674 42.059 0.056 0.000 0.903 301 L HN 0.323 nan 8.230 nan 0.000 0.435 302 R N 0.526 121.031 120.500 0.008 0.000 2.127 302 R HA -0.067 4.273 4.340 0.001 0.000 0.217 302 R C 2.122 178.420 176.300 -0.005 0.000 1.074 302 R CA 0.910 57.011 56.100 0.002 0.000 0.991 302 R CB -0.095 30.196 30.300 -0.015 0.000 0.895 302 R HN 0.301 nan 8.270 nan 0.000 0.450 303 L N 0.062 121.254 121.223 -0.053 0.000 2.131 303 L HA 0.040 4.381 4.340 0.001 0.000 0.206 303 L C 0.384 177.236 176.870 -0.031 0.000 1.087 303 L CA 0.120 54.909 54.840 -0.085 0.000 0.767 303 L CB -0.214 41.732 42.059 -0.189 0.000 0.917 303 L HN 0.092 nan 8.230 nan 0.000 0.441 304 Y N 2.260 122.566 120.300 0.010 0.000 2.650 304 Y HA 0.151 4.702 4.550 0.001 0.000 0.331 304 Y C 0.693 176.610 175.900 0.029 0.000 1.165 304 Y CA -0.112 58.002 58.100 0.023 0.000 1.473 304 Y CB -0.004 38.470 38.460 0.024 0.000 1.224 304 Y HN 0.204 nan 8.280 nan 0.000 0.533 305 R N 2.775 123.419 120.500 0.240 0.000 2.774 305 R HA 0.456 4.796 4.340 0.001 0.000 0.279 305 R C -3.586 172.794 176.300 0.133 0.000 1.022 305 R CA -2.200 53.985 56.100 0.141 0.000 0.855 305 R CB 0.755 31.112 30.300 0.095 0.000 1.279 305 R HN 0.179 nan 8.270 nan 0.000 0.485 306 P HA 0.083 nan 4.420 nan 0.000 0.265 306 P C 0.549 177.904 177.300 0.092 0.000 1.193 306 P CA 1.901 65.060 63.100 0.099 0.000 0.765 306 P CB 0.625 32.374 31.700 0.081 0.000 0.823 307 G N 0.927 109.786 108.800 0.099 0.000 2.232 307 G HA2 -0.210 3.751 3.960 0.001 0.000 0.226 307 G HA3 -0.210 3.751 3.960 0.001 0.000 0.226 307 G C 0.538 175.488 174.900 0.085 0.000 0.996 307 G CA 0.323 45.473 45.100 0.083 0.000 0.626 307 G HN 0.769 nan 8.290 nan 0.000 0.509 308 T N -0.010 114.605 114.554 0.102 0.000 2.888 308 T HA 0.764 5.114 4.350 0.001 0.000 0.283 308 T C 0.564 175.351 174.700 0.145 0.000 1.013 308 T CA 1.086 63.245 62.100 0.098 0.000 0.938 308 T CB 1.257 70.167 68.868 0.071 0.000 1.298 308 T HN 1.546 nan 8.240 nan 0.000 0.580 309 S N -0.848 114.939 115.700 0.145 0.000 2.638 309 S HA 0.473 4.943 4.470 0.001 0.000 0.274 309 S C 1.067 175.799 174.600 0.220 0.000 1.157 309 S CA -0.844 57.468 58.200 0.188 0.000 0.826 309 S CB 0.531 63.813 63.200 0.137 0.000 1.139 309 S HN 0.588 nan 8.310 nan 0.000 0.474 310 I N 0.559 121.271 120.570 0.236 0.000 2.226 310 I HA -0.122 4.048 4.170 0.001 0.000 0.245 310 I C 2.379 178.556 176.117 0.100 0.000 1.100 310 I CA 1.092 62.526 61.300 0.223 0.000 1.374 310 I CB -0.348 37.709 38.000 0.096 0.000 1.057 310 I HN 0.635 nan 8.210 nan 0.000 0.413 311 L N 1.037 122.302 121.223 0.070 0.000 2.012 311 L HA -0.252 4.088 4.340 0.001 0.000 0.210 311 L C 2.467 179.346 176.870 0.015 0.000 1.073 311 L CA 2.039 56.901 54.840 0.036 0.000 0.748 311 L CB -0.659 41.423 42.059 0.038 0.000 0.891 311 L HN 0.263 nan 8.230 nan 0.000 0.431 312 E N -1.073 119.138 120.200 0.017 0.000 2.051 312 E HA -0.189 4.161 4.350 0.001 0.000 0.192 312 E C 2.025 178.587 176.600 -0.062 0.000 0.991 312 E CA 1.724 58.116 56.400 -0.013 0.000 0.799 312 E CB -0.051 29.649 29.700 -0.001 0.000 0.748 312 E HN 0.399 nan 8.360 nan 0.000 0.449 313 V N 0.715 120.565 119.914 -0.107 0.000 2.427 313 V HA -0.220 3.900 4.120 0.001 0.000 0.248 313 V C 2.345 178.349 176.094 -0.148 0.000 1.051 313 V CA 2.043 64.207 62.300 -0.226 0.000 1.048 313 V CB -0.693 30.789 31.823 -0.569 0.000 0.666 313 V HN 0.376 nan 8.190 nan 0.000 0.456 314 T N 0.572 115.089 114.554 -0.062 0.000 2.720 314 T HA -0.160 4.190 4.350 0.001 0.000 0.268 314 T C 1.954 176.628 174.700 -0.042 0.000 1.037 314 T CA 1.649 63.745 62.100 -0.007 0.000 1.144 314 T CB -0.682 68.214 68.868 0.046 0.000 0.864 314 T HN 0.630 nan 8.240 nan 0.000 0.444 315 G N 1.620 110.389 108.800 -0.053 0.000 2.440 315 G HA2 -0.238 3.723 3.960 0.001 0.000 0.218 315 G HA3 -0.238 3.723 3.960 0.001 0.000 0.218 315 G C 1.563 176.406 174.900 -0.095 0.000 1.154 315 G CA 0.683 45.742 45.100 -0.069 0.000 0.767 315 G HN 0.394 nan 8.290 nan 0.000 0.552 316 E N 0.319 120.458 120.200 -0.102 0.000 2.072 316 E HA -0.070 4.280 4.350 0.001 0.000 0.191 316 E C 2.870 179.389 176.600 -0.136 0.000 0.985 316 E CA 0.702 57.034 56.400 -0.114 0.000 0.801 316 E CB -0.565 29.062 29.700 -0.123 0.000 0.750 316 E HN 0.330 nan 8.360 nan 0.000 0.452 317 V N 1.136 120.961 119.914 -0.149 0.000 2.343 317 V HA -0.198 3.923 4.120 0.001 0.000 0.247 317 V C 2.564 178.531 176.094 -0.212 0.000 1.051 317 V CA 1.157 63.343 62.300 -0.190 0.000 1.036 317 V CB -0.437 31.265 31.823 -0.200 0.000 0.654 317 V HN 0.057 nan 8.190 nan 0.000 0.451 318 V N 0.254 120.049 119.914 -0.197 0.000 2.343 318 V HA -0.295 3.825 4.120 0.001 0.000 0.247 318 V C 2.574 178.542 176.094 -0.210 0.000 1.051 318 V CA 2.497 64.626 62.300 -0.285 0.000 1.036 318 V CB -0.806 30.767 31.823 -0.418 0.000 0.654 318 V HN 0.563 nan 8.190 nan 0.000 0.451 319 R N 0.164 120.570 120.500 -0.156 0.000 2.083 319 R HA -0.159 4.181 4.340 0.001 0.000 0.237 319 R C 2.242 178.473 176.300 -0.115 0.000 1.137 319 R CA 2.021 58.052 56.100 -0.115 0.000 0.951 319 R CB -0.396 29.848 30.300 -0.093 0.000 0.851 319 R HN 0.464 nan 8.270 nan 0.000 0.434 320 I N 0.431 120.920 120.570 -0.134 0.000 2.226 320 I HA -0.300 3.870 4.170 0.001 0.000 0.245 320 I C 2.498 178.525 176.117 -0.150 0.000 1.100 320 I CA 1.438 62.655 61.300 -0.138 0.000 1.374 320 I CB -0.116 37.791 38.000 -0.154 0.000 1.057 320 I HN 0.309 nan 8.210 nan 0.000 0.413 321 M N -0.461 119.037 119.600 -0.171 0.000 2.099 321 M HA -0.160 4.320 4.480 0.001 0.000 0.262 321 M C 2.351 178.583 176.300 -0.112 0.000 1.067 321 M CA 1.465 56.666 55.300 -0.165 0.000 1.124 321 M CB -0.191 32.307 32.600 -0.169 0.000 1.353 321 M HN 0.056 nan 8.290 nan 0.000 0.410 322 V N -0.388 119.478 119.914 -0.079 0.000 2.295 322 V HA -0.243 3.878 4.120 0.001 0.000 0.246 322 V C 2.286 178.340 176.094 -0.067 0.000 1.049 322 V CA 2.079 64.355 62.300 -0.041 0.000 1.024 322 V CB -0.799 31.016 31.823 -0.012 0.000 0.648 322 V HN 0.437 nan 8.190 nan 0.000 0.447 323 S N 0.843 116.496 115.700 -0.078 0.000 2.359 323 S HA -0.169 4.302 4.470 0.001 0.000 0.224 323 S C 2.090 176.634 174.600 -0.094 0.000 1.035 323 S CA 1.508 59.662 58.200 -0.076 0.000 1.018 323 S CB -0.857 62.298 63.200 -0.075 0.000 0.876 323 S HN 0.687 nan 8.310 nan 0.000 0.448 324 G N 1.561 110.290 108.800 -0.119 0.000 2.418 324 G HA2 -0.094 3.867 3.960 0.001 0.000 0.217 324 G HA3 -0.094 3.867 3.960 0.001 0.000 0.217 324 G C 1.334 176.128 174.900 -0.177 0.000 1.158 324 G CA 0.531 45.545 45.100 -0.143 0.000 0.771 324 G HN 0.440 nan 8.290 nan 0.000 0.545 325 L N 0.244 121.352 121.223 -0.192 0.000 2.156 325 L HA -0.030 4.310 4.340 0.001 0.000 0.208 325 L C 2.929 179.688 176.870 -0.185 0.000 1.095 325 L CA 0.176 54.864 54.840 -0.253 0.000 0.770 325 L CB -0.353 41.538 42.059 -0.280 0.000 0.914 325 L HN 0.073 nan 8.230 nan 0.000 0.439 326 V N 0.090 119.934 119.914 -0.117 0.000 2.343 326 V HA -0.277 3.843 4.120 0.001 0.000 0.247 326 V C 2.417 178.468 176.094 -0.072 0.000 1.051 326 V CA 1.722 63.977 62.300 -0.076 0.000 1.036 326 V CB -0.480 31.313 31.823 -0.049 0.000 0.654 326 V HN 0.420 nan 8.190 nan 0.000 0.451 327 K N -0.091 120.260 120.400 -0.081 0.000 2.209 327 K HA -0.066 4.254 4.320 0.001 0.000 0.204 327 K C 1.777 178.342 176.600 -0.058 0.000 1.048 327 K CA 1.198 57.447 56.287 -0.063 0.000 0.940 327 K CB -0.182 32.279 32.500 -0.066 0.000 0.729 327 K HN 0.412 nan 8.250 nan 0.000 0.451 328 L N -0.799 120.361 121.223 -0.105 0.000 2.567 328 L HA 0.172 4.512 4.340 0.001 0.000 0.225 328 L C 1.144 177.997 176.870 -0.028 0.000 1.119 328 L CA 0.267 55.053 54.840 -0.091 0.000 0.871 328 L CB 0.060 41.930 42.059 -0.315 0.000 1.036 328 L HN 0.369 nan 8.230 nan 0.000 0.459 329 G N 0.534 109.304 108.800 -0.050 0.000 2.148 329 G HA2 -0.297 3.664 3.960 0.001 0.000 0.254 329 G HA3 -0.297 3.664 3.960 0.001 0.000 0.254 329 G C 0.785 175.667 174.900 -0.030 0.000 0.981 329 G CA 0.513 45.605 45.100 -0.013 0.000 0.670 329 G HN 0.369 nan 8.290 nan 0.000 0.528 330 I N -0.412 120.077 120.570 -0.134 0.000 2.406 330 I HA 0.176 4.347 4.170 0.001 0.000 0.249 330 I C 1.493 177.537 176.117 -0.122 0.000 1.122 330 I CA 0.929 62.112 61.300 -0.195 0.000 1.431 330 I CB -0.049 37.664 38.000 -0.478 0.000 1.087 330 I HN 0.149 nan 8.210 nan 0.000 0.424 331 L N 0.688 121.848 121.223 -0.105 0.000 2.330 331 L HA 0.446 4.787 4.340 0.001 0.000 0.271 331 L C -0.294 176.575 176.870 -0.003 0.000 1.013 331 L CA -0.674 54.162 54.840 -0.007 0.000 0.816 331 L CB 1.597 43.659 42.059 0.005 0.000 1.287 331 L HN -0.069 nan 8.230 nan 0.000 0.435 332 K N 1.448 121.862 120.400 0.022 0.000 2.397 332 K HA 0.762 5.083 4.320 0.001 0.000 0.253 332 K C -0.315 176.296 176.600 0.018 0.000 0.932 332 K CA -0.391 55.906 56.287 0.015 0.000 0.795 332 K CB 2.359 34.872 32.500 0.021 0.000 1.159 332 K HN 0.857 nan 8.250 nan 0.000 0.424 333 G N 2.074 110.879 108.800 0.010 0.000 2.293 333 G HA2 -0.142 3.818 3.960 0.001 0.000 0.282 333 G HA3 -0.142 3.818 3.960 0.001 0.000 0.282 333 G C -1.756 173.147 174.900 0.004 0.000 1.299 333 G CA -0.915 44.191 45.100 0.010 0.000 1.018 333 G HN 0.576 nan 8.290 nan 0.000 0.478 334 D N -0.736 119.667 120.400 0.005 0.000 2.304 334 D HA 0.496 5.137 4.640 0.001 0.000 0.250 334 D C 1.656 177.957 176.300 0.002 0.000 1.107 334 D CA 0.223 54.224 54.000 0.001 0.000 0.885 334 D CB 1.668 42.469 40.800 0.001 0.000 1.192 334 D HN 0.390 nan 8.370 nan 0.000 0.436 335 V N 3.518 123.429 119.914 -0.006 0.000 2.287 335 V HA -0.227 3.894 4.120 0.001 0.000 0.248 335 V C 1.609 177.701 176.094 -0.004 0.000 1.053 335 V CA 1.960 64.255 62.300 -0.009 0.000 1.027 335 V CB -0.426 31.384 31.823 -0.022 0.000 0.646 335 V HN 0.694 nan 8.190 nan 0.000 0.447 336 D N -0.577 119.819 120.400 -0.005 0.000 2.178 336 D HA -0.153 4.488 4.640 0.001 0.000 0.202 336 D C 2.157 178.461 176.300 0.006 0.000 0.974 336 D CA 1.156 55.154 54.000 -0.004 0.000 0.841 336 D CB -0.037 40.760 40.800 -0.006 0.000 0.953 336 D HN 0.576 nan 8.370 nan 0.000 0.478 337 E N 0.294 120.500 120.200 0.009 0.000 2.107 337 E HA -0.054 4.296 4.350 0.001 0.000 0.191 337 E C 2.352 178.968 176.600 0.026 0.000 0.982 337 E CA 0.283 56.692 56.400 0.015 0.000 0.809 337 E CB 0.053 29.760 29.700 0.013 0.000 0.756 337 E HN 0.215 nan 8.360 nan 0.000 0.459 338 L N 0.633 121.874 121.223 0.031 0.000 2.093 338 L HA -0.161 4.179 4.340 0.001 0.000 0.208 338 L C 2.350 179.266 176.870 0.076 0.000 1.085 338 L CA 0.848 55.719 54.840 0.053 0.000 0.755 338 L CB -0.264 41.827 42.059 0.053 0.000 0.904 338 L HN 0.165 nan 8.230 nan 0.000 0.435 339 I N -0.083 120.518 120.570 0.052 0.000 2.226 339 I HA -0.294 3.877 4.170 0.001 0.000 0.245 339 I C 2.720 178.873 176.117 0.062 0.000 1.100 339 I CA 1.205 62.535 61.300 0.049 0.000 1.374 339 I CB -0.406 37.592 38.000 -0.004 0.000 1.057 339 I HN 0.217 nan 8.210 nan 0.000 0.413 340 A N 0.548 123.392 122.820 0.041 0.000 2.015 340 A HA -0.195 4.126 4.320 0.001 0.000 0.219 340 A C 2.011 179.620 177.584 0.041 0.000 1.163 340 A CA 1.318 53.375 52.037 0.034 0.000 0.646 340 A CB -0.487 18.525 19.000 0.021 0.000 0.806 340 A HN 0.670 nan 8.150 nan 0.000 0.448 341 Q N -0.770 119.059 119.800 0.049 0.000 2.201 341 Q HA 0.151 4.491 4.340 0.001 0.000 0.217 341 Q C -0.612 175.420 176.000 0.052 0.000 0.860 341 Q CA -0.322 55.505 55.803 0.040 0.000 0.984 341 Q CB -0.328 28.426 28.738 0.028 0.000 1.095 341 Q HN 0.469 nan 8.270 nan 0.000 0.477 342 N N 0.716 119.481 118.700 0.109 0.000 2.707 342 N HA -0.241 4.500 4.740 0.001 0.000 0.253 342 N C 0.435 175.969 175.510 0.040 0.000 0.998 342 N CA 0.835 53.983 53.050 0.164 0.000 0.751 342 N CB -0.631 37.883 38.487 0.046 0.000 0.920 342 N HN 0.631 nan 8.380 nan 0.000 0.539 343 A N 0.357 123.265 122.820 0.147 0.000 2.168 343 A HA -0.146 4.174 4.320 0.001 0.000 0.215 343 A C 1.831 179.514 177.584 0.164 0.000 1.152 343 A CA 1.220 53.320 52.037 0.105 0.000 0.716 343 A CB -0.456 18.619 19.000 0.125 0.000 0.794 343 A HN 0.704 nan 8.150 nan 0.000 0.465 344 H N -0.977 118.180 119.070 0.143 0.000 2.524 344 H HA 0.062 4.618 4.556 0.001 0.000 0.282 344 H C 1.786 177.235 175.328 0.202 0.000 1.016 344 H CA 1.083 57.269 56.048 0.230 0.000 1.270 344 H CB -0.355 29.515 29.762 0.182 0.000 1.394 344 H HN 0.475 nan 8.280 nan 0.000 0.568 345 R N 0.826 120.991 120.500 -0.558 0.000 2.092 345 R HA -0.023 4.317 4.340 0.001 0.000 0.231 345 R C -0.549 175.584 176.300 -0.278 0.000 1.119 345 R CA 1.011 56.822 56.100 -0.481 0.000 0.970 345 R CB -0.663 29.357 30.300 -0.467 0.000 0.864 345 R HN 0.403 nan 8.270 nan 0.000 0.440 346 P HA -0.135 nan 4.420 nan 0.000 0.221 346 P C 0.380 177.347 177.300 -0.555 0.000 1.145 346 P CA 1.376 64.148 63.100 -0.547 0.000 0.795 346 P CB 0.054 31.242 31.700 -0.854 0.000 0.775 347 F N -3.498 116.501 119.950 0.082 0.000 2.694 347 F HA 0.302 4.829 4.527 0.001 0.000 0.292 347 F C 0.832 176.805 175.800 0.289 0.000 1.121 347 F CA -0.042 58.051 58.000 0.154 0.000 1.352 347 F CB 0.013 39.063 39.000 0.083 0.000 1.107 347 F HN -0.249 nan 8.300 nan 0.000 0.597 348 F N 2.759 122.823 119.950 0.190 0.000 2.771 348 F HA 0.366 4.893 4.527 0.001 0.000 0.365 348 F C 0.271 176.082 175.800 0.018 0.000 1.169 348 F CA -1.627 56.445 58.000 0.120 0.000 1.093 348 F CB 1.078 40.138 39.000 0.101 0.000 1.363 348 F HN -0.045 nan 8.300 nan 0.000 0.496 349 M N 3.656 123.106 119.600 -0.251 0.000 2.346 349 M HA 0.320 4.800 4.480 0.001 0.000 0.280 349 M C -1.209 174.905 176.300 -0.310 0.000 1.075 349 M CA 0.340 55.478 55.300 -0.270 0.000 0.989 349 M CB -1.334 31.201 32.600 -0.108 0.000 1.447 349 M HN 0.591 nan 8.290 nan 0.000 0.511 350 H N -1.356 117.418 119.070 -0.493 0.000 2.812 350 H HA 0.851 5.407 4.556 0.001 0.000 0.355 350 H C 0.155 175.183 175.328 -0.501 0.000 1.207 350 H CA -0.675 55.153 56.048 -0.365 0.000 1.217 350 H CB 0.136 29.809 29.762 -0.149 0.000 1.874 350 H HN 0.077 nan 8.280 nan 0.000 0.581 351 G N -0.176 108.575 108.800 -0.083 0.000 2.594 351 G HA2 0.163 4.124 3.960 0.001 0.000 0.243 351 G HA3 0.163 4.124 3.960 0.001 0.000 0.243 351 G C 0.372 175.387 174.900 0.192 0.000 1.229 351 G CA -0.268 44.806 45.100 -0.044 0.000 0.843 351 G HN 0.663 nan 8.290 nan 0.000 0.578 352 L N 0.359 121.715 121.223 0.221 0.000 2.156 352 L HA 0.235 4.575 4.340 0.001 0.000 0.208 352 L C 1.043 178.025 176.870 0.187 0.000 1.095 352 L CA 1.341 56.368 54.840 0.310 0.000 0.770 352 L CB -0.025 42.183 42.059 0.248 0.000 0.914 352 L HN 0.401 nan 8.230 nan 0.000 0.439 353 S N -1.852 113.894 115.700 0.077 0.000 2.546 353 S HA 0.557 5.027 4.470 0.001 0.000 0.272 353 S C -1.436 173.096 174.600 -0.112 0.000 1.140 353 S CA -0.622 57.545 58.200 -0.056 0.000 0.920 353 S CB 1.376 64.546 63.200 -0.049 0.000 1.083 353 S HN 0.521 nan 8.310 nan 0.000 0.476 354 H N -1.432 117.604 119.070 -0.057 0.000 2.797 354 H HA 0.700 5.257 4.556 0.001 0.000 0.372 354 H C -1.278 174.068 175.328 0.031 0.000 1.168 354 H CA -1.202 54.824 56.048 -0.038 0.000 1.163 354 H CB 0.324 30.094 29.762 0.014 0.000 1.778 354 H HN 0.654 nan 8.280 nan 0.000 0.551 355 W N 1.300 122.800 121.300 0.334 0.000 2.148 355 W HA 0.307 4.967 4.660 0.001 0.000 0.347 355 W C -0.510 176.147 176.519 0.230 0.000 1.288 355 W CA -0.620 56.786 57.345 0.103 0.000 1.252 355 W CB 0.430 29.838 29.460 -0.086 0.000 1.156 355 W HN 0.443 nan 8.180 nan 0.000 0.580 356 L N 2.372 123.825 121.223 0.383 0.000 2.401 356 L HA 0.894 5.235 4.340 0.001 0.000 0.266 356 L C 0.063 177.067 176.870 0.223 0.000 0.991 356 L CA -0.055 54.962 54.840 0.295 0.000 0.818 356 L CB 1.784 43.976 42.059 0.222 0.000 1.321 356 L HN 0.623 nan 8.230 nan 0.000 0.413 357 G N 2.767 111.695 108.800 0.213 0.000 2.586 357 G HA2 0.085 4.045 3.960 0.001 0.000 0.105 357 G HA3 0.085 4.045 3.960 0.001 0.000 0.105 357 G C 0.077 175.049 174.900 0.120 0.000 1.129 357 G CA -0.151 45.093 45.100 0.239 0.000 1.127 357 G HN 0.546 nan 8.290 nan 0.000 0.532 358 L N 1.066 122.237 121.223 -0.086 0.000 2.362 358 L HA 0.198 4.538 4.340 0.001 0.000 0.219 358 L C 0.090 176.896 176.870 -0.108 0.000 1.134 358 L CA 0.982 55.664 54.840 -0.263 0.000 0.807 358 L CB -0.154 41.753 42.059 -0.253 0.000 0.927 358 L HN 0.228 nan 8.230 nan 0.000 0.447 359 D N -1.564 118.815 120.400 -0.035 0.000 2.481 359 D HA 0.091 4.732 4.640 0.001 0.000 0.244 359 D C 0.566 176.892 176.300 0.044 0.000 1.057 359 D CA -0.180 53.813 54.000 -0.011 0.000 0.848 359 D CB 3.309 44.096 40.800 -0.021 0.000 1.388 359 D HN -0.295 nan 8.370 nan 0.000 0.475 360 V N 2.495 122.414 119.914 0.008 0.000 2.295 360 V HA -0.199 3.921 4.120 0.001 0.000 0.246 360 V C 0.490 176.592 176.094 0.013 0.000 1.049 360 V CA 1.706 64.016 62.300 0.017 0.000 1.024 360 V CB -0.383 31.391 31.823 -0.081 0.000 0.648 360 V HN 0.504 nan 8.190 nan 0.000 0.447 361 H N 0.708 119.715 119.070 -0.105 0.000 2.882 361 H HA 0.266 4.822 4.556 0.001 0.000 0.258 361 H C -0.461 174.901 175.328 0.057 0.000 1.579 361 H CA -0.628 55.334 56.048 -0.142 0.000 1.340 361 H CB 0.144 29.772 29.762 -0.223 0.000 1.645 361 H HN 0.406 nan 8.280 nan 0.000 0.541 362 D N 1.815 122.392 120.400 0.295 0.000 2.360 362 D HA 0.030 4.671 4.640 0.001 0.000 0.242 362 D C 0.310 176.711 176.300 0.169 0.000 1.184 362 D CA -0.517 53.595 54.000 0.186 0.000 0.930 362 D CB 1.106 42.017 40.800 0.185 0.000 1.161 362 D HN 0.263 nan 8.370 nan 0.000 0.447 363 V N -0.891 118.998 119.914 -0.040 0.000 3.319 363 V HA 0.805 4.925 4.120 0.001 0.000 0.303 363 V C 0.568 176.579 176.094 -0.138 0.000 1.094 363 V CA 0.114 62.332 62.300 -0.136 0.000 1.106 363 V CB 0.392 31.872 31.823 -0.571 0.000 1.099 363 V HN 0.856 nan 8.190 nan 0.000 0.476 364 G N 0.585 109.332 108.800 -0.088 0.000 2.535 364 G HA2 0.189 4.149 3.960 0.001 0.000 0.662 364 G HA3 0.189 4.149 3.960 0.001 0.000 0.662 364 G C -1.147 173.733 174.900 -0.032 0.000 1.417 364 G CA -0.437 44.515 45.100 -0.245 0.000 0.866 364 G HN 1.364 nan 8.290 nan 0.000 0.647 365 V N 2.604 122.531 119.914 0.020 0.000 2.508 365 V HA 0.240 4.360 4.120 0.001 0.000 0.281 365 V C 1.082 177.346 176.094 0.284 0.000 1.041 365 V CA 0.317 62.715 62.300 0.164 0.000 1.016 365 V CB 0.797 32.698 31.823 0.131 0.000 0.984 365 V HN 0.694 nan 8.190 nan 0.000 0.478 366 Y N 3.287 123.812 120.300 0.375 0.000 2.517 366 Y HA 0.350 4.900 4.550 0.001 0.000 0.281 366 Y C 1.617 177.635 175.900 0.197 0.000 1.125 366 Y CA 0.863 59.153 58.100 0.316 0.000 1.283 366 Y CB -0.243 38.265 38.460 0.080 0.000 1.042 366 Y HN 0.900 nan 8.280 nan 0.000 0.547 367 G N 0.920 109.899 108.800 0.298 0.000 2.819 367 G HA2 -0.312 3.648 3.960 0.001 0.000 0.682 367 G HA3 -0.312 3.648 3.960 0.001 0.000 0.682 367 G C -0.484 174.508 174.900 0.153 0.000 1.481 367 G CA -0.404 44.812 45.100 0.194 0.000 0.904 367 G HN 0.313 nan 8.290 nan 0.000 0.563 368 Q N 0.480 120.341 119.800 0.102 0.000 2.263 368 Q HA 0.302 4.642 4.340 0.001 0.000 0.289 368 Q C 0.570 176.601 176.000 0.051 0.000 1.061 368 Q CA 0.903 56.745 55.803 0.065 0.000 0.927 368 Q CB 0.059 28.827 28.738 0.050 0.000 1.154 368 Q HN 0.656 nan 8.270 nan 0.000 0.378 369 D N 3.724 124.136 120.400 0.019 0.000 2.911 369 D HA -0.246 4.394 4.640 0.001 0.000 0.227 369 D C -0.572 175.726 176.300 -0.004 0.000 1.164 369 D CA 1.371 55.366 54.000 -0.008 0.000 0.782 369 D CB -0.652 40.148 40.800 0.001 0.000 1.094 369 D HN 0.926 nan 8.370 nan 0.000 0.425 370 R N -2.272 118.243 120.500 0.025 0.000 3.532 370 R HA -0.213 4.128 4.340 0.001 0.000 0.284 370 R C 1.034 177.398 176.300 0.108 0.000 1.140 370 R CA 1.024 57.166 56.100 0.070 0.000 0.768 370 R CB -2.908 27.358 30.300 -0.056 0.000 1.252 370 R HN 0.453 nan 8.270 nan 0.000 0.454 371 S N -0.481 115.287 115.700 0.114 0.000 2.593 371 S HA -0.020 4.451 4.470 0.001 0.000 0.217 371 S C 0.923 175.607 174.600 0.140 0.000 0.966 371 S CA -0.228 58.036 58.200 0.108 0.000 0.914 371 S CB 0.248 63.497 63.200 0.082 0.000 0.776 371 S HN 0.442 nan 8.310 nan 0.000 0.523 372 R N 1.563 122.177 120.500 0.191 0.000 2.570 372 R HA 0.128 4.469 4.340 0.001 0.000 0.277 372 R C -0.273 176.149 176.300 0.203 0.000 1.039 372 R CA -0.376 55.849 56.100 0.208 0.000 1.065 372 R CB 0.138 30.604 30.300 0.277 0.000 0.964 372 R HN 0.183 nan 8.270 nan 0.000 0.428 373 I N 5.993 126.662 120.570 0.164 0.000 2.618 373 I HA -0.016 4.154 4.170 0.001 0.000 0.284 373 I C 0.595 176.815 176.117 0.171 0.000 1.146 373 I CA 0.096 61.487 61.300 0.151 0.000 1.425 373 I CB 0.159 38.230 38.000 0.119 0.000 1.383 373 I HN 0.587 nan 8.210 nan 0.000 0.562 374 L N 7.028 128.355 121.223 0.174 0.000 2.371 374 L HA 0.325 4.665 4.340 0.001 0.000 0.272 374 L C 0.466 177.415 176.870 0.131 0.000 1.124 374 L CA -0.222 54.715 54.840 0.163 0.000 0.816 374 L CB 0.581 42.749 42.059 0.182 0.000 1.129 374 L HN 0.596 nan 8.230 nan 0.000 0.448 375 E N 2.617 122.884 120.200 0.111 0.000 2.392 375 E HA 0.415 4.765 4.350 0.001 0.000 0.269 375 E C -2.560 174.116 176.600 0.127 0.000 0.924 375 E CA -2.205 54.290 56.400 0.158 0.000 0.784 375 E CB 1.751 31.632 29.700 0.301 0.000 1.292 375 E HN 0.293 nan 8.360 nan 0.000 0.447 376 P HA -0.008 nan 4.420 nan 0.000 0.264 376 P C 0.569 177.954 177.300 0.142 0.000 1.183 376 P CA 1.112 64.277 63.100 0.107 0.000 0.763 376 P CB 0.382 32.139 31.700 0.095 0.000 0.807 377 G N 1.668 110.505 108.800 0.062 0.000 2.234 377 G HA2 -0.242 3.718 3.960 0.001 0.000 0.235 377 G HA3 -0.242 3.718 3.960 0.001 0.000 0.235 377 G C 0.182 175.010 174.900 -0.120 0.000 0.997 377 G CA -0.301 44.826 45.100 0.046 0.000 0.623 377 G HN 0.457 nan 8.290 nan 0.000 0.514 378 M N 1.187 120.641 119.600 -0.242 0.000 2.228 378 M HA 0.489 4.969 4.480 0.001 0.000 0.351 378 M C 0.053 176.286 176.300 -0.111 0.000 1.233 378 M CA 0.218 55.313 55.300 -0.341 0.000 1.129 378 M CB 1.468 33.849 32.600 -0.365 0.000 1.604 378 M HN -0.038 nan 8.290 nan 0.000 0.457 379 V N 5.445 125.327 119.914 -0.053 0.000 2.540 379 V HA 0.702 4.823 4.120 0.001 0.000 0.302 379 V C -0.377 175.803 176.094 0.143 0.000 1.035 379 V CA -0.744 61.576 62.300 0.034 0.000 0.873 379 V CB 1.677 33.524 31.823 0.040 0.000 0.992 379 V HN 0.841 nan 8.190 nan 0.000 0.428 380 L N 2.030 123.288 121.223 0.058 0.000 2.568 380 L HA 0.951 5.292 4.340 0.001 0.000 0.257 380 L C -0.128 176.674 176.870 -0.112 0.000 1.024 380 L CA -0.725 54.118 54.840 0.005 0.000 0.854 380 L CB 2.317 44.333 42.059 -0.072 0.000 1.460 380 L HN 0.609 nan 8.230 nan 0.000 0.409 381 T N -1.153 113.264 114.554 -0.228 0.000 2.902 381 T HA 0.771 5.121 4.350 0.001 0.000 0.280 381 T C -0.323 174.289 174.700 -0.146 0.000 0.992 381 T CA -0.735 61.234 62.100 -0.218 0.000 1.015 381 T CB 1.793 70.418 68.868 -0.406 0.000 1.044 381 T HN 0.540 nan 8.240 nan 0.000 0.520 382 V N 2.476 122.371 119.914 -0.032 0.000 2.488 382 V HA 0.448 4.568 4.120 0.001 0.000 0.293 382 V C -0.272 175.869 176.094 0.078 0.000 1.027 382 V CA -0.761 61.584 62.300 0.075 0.000 0.862 382 V CB 1.000 32.906 31.823 0.137 0.000 1.008 382 V HN 1.117 nan 8.190 nan 0.000 0.428 383 E N 4.431 124.708 120.200 0.129 0.000 3.935 383 E HA 0.342 4.693 4.350 0.001 0.000 0.226 383 E C -2.987 173.783 176.600 0.284 0.000 1.220 383 E CA -1.592 54.918 56.400 0.184 0.000 1.226 383 E CB 1.575 31.395 29.700 0.199 0.000 1.237 383 E HN 0.476 nan 8.360 nan 0.000 0.417 384 P HA 0.256 nan 4.420 nan 0.000 0.272 384 P C 0.160 177.431 177.300 -0.048 0.000 1.223 384 P CA 0.312 63.338 63.100 -0.122 0.000 0.784 384 P CB 1.518 33.032 31.700 -0.309 0.000 0.923 385 G N 1.056 109.757 108.800 -0.164 0.000 2.704 385 G HA2 0.617 4.577 3.960 0.001 0.000 0.293 385 G HA3 0.617 4.577 3.960 0.001 0.000 0.293 385 G C -2.001 172.650 174.900 -0.415 0.000 1.421 385 G CA -0.659 44.337 45.100 -0.173 0.000 0.870 385 G HN 0.421 nan 8.290 nan 0.000 0.492 386 L N 0.378 121.183 121.223 -0.697 0.000 2.410 386 L HA 0.550 4.891 4.340 0.001 0.000 0.270 386 L C -1.503 174.959 176.870 -0.680 0.000 0.983 386 L CA -0.905 53.643 54.840 -0.487 0.000 0.822 386 L CB 2.386 44.290 42.059 -0.258 0.000 1.285 386 L HN 0.602 nan 8.230 nan 0.000 0.409 387 Y N 3.813 124.252 120.300 0.230 0.000 2.327 387 Y HA 0.471 5.022 4.550 0.001 0.000 0.325 387 Y C -0.301 175.763 175.900 0.274 0.000 0.999 387 Y CA -0.939 57.282 58.100 0.203 0.000 1.195 387 Y CB 1.518 40.081 38.460 0.172 0.000 1.132 387 Y HN 0.222 nan 8.280 nan 0.000 0.455 388 I N 3.308 124.077 120.570 0.332 0.000 2.330 388 I HA 0.452 4.623 4.170 0.001 0.000 0.286 388 I C 0.693 176.957 176.117 0.246 0.000 1.025 388 I CA -0.895 60.612 61.300 0.346 0.000 1.197 388 I CB 0.582 38.720 38.000 0.230 0.000 1.358 388 I HN 0.744 nan 8.210 nan 0.000 0.467 389 A N 9.273 132.221 122.820 0.214 0.000 2.507 389 A HA 0.297 4.617 4.320 0.001 0.000 0.235 389 A C -1.206 176.446 177.584 0.113 0.000 1.070 389 A CA -0.605 51.511 52.037 0.131 0.000 0.768 389 A CB -0.357 18.692 19.000 0.082 0.000 1.011 389 A HN 0.570 nan 8.150 nan 0.000 0.502 390 P HA -0.121 nan 4.420 nan 0.000 0.221 390 P C 0.348 177.682 177.300 0.058 0.000 1.145 390 P CA 1.719 64.855 63.100 0.060 0.000 0.795 390 P CB 0.025 31.748 31.700 0.038 0.000 0.775 391 D N -1.794 118.640 120.400 0.057 0.000 2.440 391 D HA 0.195 4.835 4.640 0.001 0.000 0.216 391 D C 0.365 176.703 176.300 0.064 0.000 1.150 391 D CA -0.603 53.427 54.000 0.050 0.000 0.832 391 D CB -0.588 40.232 40.800 0.034 0.000 0.992 391 D HN -0.035 nan 8.370 nan 0.000 0.502 392 A N 0.537 123.414 122.820 0.095 0.000 2.445 392 A HA 0.161 4.482 4.320 0.001 0.000 0.242 392 A C 0.446 178.105 177.584 0.125 0.000 1.075 392 A CA -0.258 51.855 52.037 0.128 0.000 0.777 392 A CB 0.176 19.312 19.000 0.226 0.000 1.013 392 A HN 0.191 nan 8.150 nan 0.000 0.493 393 E N 0.788 121.062 120.200 0.123 0.000 1.979 393 E HA 0.334 4.684 4.350 0.001 0.000 0.285 393 E C -0.423 176.251 176.600 0.123 0.000 1.188 393 E CA -0.109 56.352 56.400 0.102 0.000 1.214 393 E CB -0.139 29.608 29.700 0.078 0.000 1.210 393 E HN 0.568 nan 8.360 nan 0.000 0.477 394 V N -0.846 119.143 119.914 0.126 0.000 3.188 394 V HA 0.546 4.667 4.120 0.001 0.000 0.305 394 V C -2.850 173.323 176.094 0.132 0.000 1.232 394 V CA -2.940 59.441 62.300 0.135 0.000 1.043 394 V CB 1.540 33.457 31.823 0.157 0.000 1.068 394 V HN 0.098 nan 8.190 nan 0.000 0.439 395 P HA 0.108 nan 4.420 nan 0.000 0.261 395 P C 0.777 178.086 177.300 0.015 0.000 1.173 395 P CA 0.552 63.706 63.100 0.089 0.000 0.760 395 P CB 0.466 32.245 31.700 0.130 0.000 0.783 396 E N 3.129 123.308 120.200 -0.035 0.000 2.187 396 E HA -0.314 4.036 4.350 0.001 0.000 0.199 396 E C 1.598 178.141 176.600 -0.095 0.000 1.004 396 E CA 1.201 57.576 56.400 -0.041 0.000 0.813 396 E CB 0.032 29.707 29.700 -0.042 0.000 0.736 396 E HN 0.478 nan 8.360 nan 0.000 0.468 397 Q N -0.471 119.181 119.800 -0.246 0.000 2.436 397 Q HA -0.173 4.168 4.340 0.001 0.000 0.209 397 Q C 0.849 176.664 176.000 -0.308 0.000 0.965 397 Q CA 1.074 56.684 55.803 -0.321 0.000 0.910 397 Q CB -0.209 28.271 28.738 -0.429 0.000 0.980 397 Q HN 0.492 nan 8.270 nan 0.000 0.491 398 Y N 1.038 121.343 120.300 0.008 0.000 2.500 398 Y HA 0.299 4.849 4.550 0.001 0.000 0.270 398 Y C 0.692 176.611 175.900 0.032 0.000 1.134 398 Y CA -0.532 57.574 58.100 0.009 0.000 1.293 398 Y CB 0.211 38.659 38.460 -0.020 0.000 1.063 398 Y HN -0.035 nan 8.280 nan 0.000 0.534 399 R N 0.435 121.019 120.500 0.140 0.000 2.522 399 R HA 0.280 4.620 4.340 0.001 0.000 0.284 399 R C 1.219 177.575 176.300 0.093 0.000 1.032 399 R CA 0.979 57.149 56.100 0.117 0.000 1.049 399 R CB -0.112 30.235 30.300 0.079 0.000 0.956 399 R HN 0.489 nan 8.270 nan 0.000 0.422 400 G N 2.737 111.598 108.800 0.102 0.000 2.143 400 G HA2 -0.281 3.679 3.960 0.001 0.000 0.248 400 G HA3 -0.281 3.679 3.960 0.001 0.000 0.248 400 G C 0.102 175.053 174.900 0.084 0.000 0.991 400 G CA -0.360 44.786 45.100 0.077 0.000 0.689 400 G HN 0.534 nan 8.290 nan 0.000 0.522 401 I N 1.348 121.989 120.570 0.119 0.000 2.315 401 I HA 0.556 4.727 4.170 0.001 0.000 0.291 401 I C 0.850 177.051 176.117 0.140 0.000 1.006 401 I CA -0.078 61.295 61.300 0.121 0.000 1.265 401 I CB 1.603 39.687 38.000 0.139 0.000 1.387 401 I HN 0.150 nan 8.210 nan 0.000 0.475 402 G N 7.722 116.610 108.800 0.148 0.000 2.644 402 G HA2 0.751 4.711 3.960 0.001 0.000 0.300 402 G HA3 0.751 4.711 3.960 0.001 0.000 0.300 402 G C -0.930 174.064 174.900 0.156 0.000 1.395 402 G CA -0.286 44.954 45.100 0.233 0.000 0.964 402 G HN 0.469 nan 8.290 nan 0.000 0.511 403 I N 1.632 122.198 120.570 -0.007 0.000 2.534 403 I HA 0.535 4.705 4.170 0.001 0.000 0.288 403 I C -0.252 175.821 176.117 -0.073 0.000 1.077 403 I CA -0.837 60.477 61.300 0.024 0.000 1.051 403 I CB 2.650 40.673 38.000 0.038 0.000 1.234 403 I HN 0.452 nan 8.210 nan 0.000 0.425 404 R N 6.928 127.491 120.500 0.106 0.000 2.673 404 R HA 0.796 5.137 4.340 0.001 0.000 0.281 404 R C -1.958 174.415 176.300 0.122 0.000 0.991 404 R CA -0.509 55.671 56.100 0.134 0.000 0.896 404 R CB 2.000 32.488 30.300 0.312 0.000 1.201 404 R HN 0.620 nan 8.270 nan 0.000 0.457 405 I N 2.459 123.064 120.570 0.058 0.000 2.499 405 I HA 0.390 4.560 4.170 0.001 0.000 0.288 405 I C -0.929 175.225 176.117 0.062 0.000 1.048 405 I CA -0.653 60.683 61.300 0.060 0.000 1.062 405 I CB 2.170 40.151 38.000 -0.032 0.000 1.238 405 I HN 0.646 nan 8.210 nan 0.000 0.426 406 E N 5.260 125.503 120.200 0.073 0.000 2.278 406 E HA 0.409 4.760 4.350 0.001 0.000 0.272 406 E C -1.863 174.760 176.600 0.038 0.000 0.890 406 E CA -0.576 55.864 56.400 0.066 0.000 0.770 406 E CB 2.092 31.851 29.700 0.098 0.000 1.212 406 E HN 0.480 nan 8.360 nan 0.000 0.415 407 D N 2.314 122.734 120.400 0.033 0.000 2.374 407 D HA 0.385 5.025 4.640 0.001 0.000 0.239 407 D C -1.201 175.110 176.300 0.018 0.000 0.991 407 D CA -0.373 53.642 54.000 0.025 0.000 0.960 407 D CB 1.635 42.452 40.800 0.028 0.000 1.284 407 D HN 0.354 nan 8.370 nan 0.000 0.512 408 D N 0.754 121.167 120.400 0.021 0.000 2.278 408 D HA 0.466 5.106 4.640 0.001 0.000 0.245 408 D C 0.084 176.389 176.300 0.009 0.000 1.052 408 D CA -0.351 53.658 54.000 0.015 0.000 0.834 408 D CB 1.904 42.730 40.800 0.044 0.000 1.194 408 D HN 0.333 nan 8.370 nan 0.000 0.481 409 I N -1.819 118.744 120.570 -0.012 0.000 2.892 409 I HA 0.687 4.858 4.170 0.001 0.000 0.306 409 I C -1.010 175.097 176.117 -0.017 0.000 1.078 409 I CA -1.214 60.078 61.300 -0.013 0.000 1.032 409 I CB 2.385 40.373 38.000 -0.021 0.000 1.229 409 I HN 0.101 nan 8.210 nan 0.000 0.435 410 V N 5.730 125.640 119.914 -0.007 0.000 2.495 410 V HA 0.491 4.611 4.120 0.001 0.000 0.298 410 V C -0.163 175.930 176.094 -0.002 0.000 1.031 410 V CA -0.689 61.606 62.300 -0.008 0.000 0.871 410 V CB 1.661 33.483 31.823 -0.002 0.000 0.988 410 V HN 0.579 nan 8.190 nan 0.000 0.432 411 I N 6.443 127.009 120.570 -0.006 0.000 2.556 411 I HA 0.270 4.440 4.170 0.001 0.000 0.284 411 I C 0.924 177.059 176.117 0.030 0.000 1.114 411 I CA 0.665 61.976 61.300 0.019 0.000 1.418 411 I CB 0.756 38.770 38.000 0.023 0.000 1.394 411 I HN 0.909 nan 8.210 nan 0.000 0.552 412 T N 2.410 116.988 114.554 0.040 0.000 2.841 412 T HA 0.385 4.736 4.350 0.001 0.000 0.276 412 T C 0.969 175.697 174.700 0.046 0.000 1.003 412 T CA -0.688 61.435 62.100 0.039 0.000 0.995 412 T CB 1.793 70.680 68.868 0.032 0.000 1.260 412 T HN 0.454 nan 8.240 nan 0.000 0.581 413 E N 0.882 121.106 120.200 0.040 0.000 2.118 413 E HA -0.089 4.262 4.350 0.001 0.000 0.195 413 E C 1.980 178.604 176.600 0.040 0.000 0.992 413 E CA 2.082 58.506 56.400 0.040 0.000 0.804 413 E CB -0.588 29.131 29.700 0.031 0.000 0.741 413 E HN 0.915 nan 8.360 nan 0.000 0.458 414 T N -3.843 110.733 114.554 0.037 0.000 3.044 414 T HA 0.508 4.859 4.350 0.001 0.000 0.260 414 T C 0.878 175.602 174.700 0.041 0.000 1.019 414 T CA 0.337 62.458 62.100 0.035 0.000 0.921 414 T CB 1.015 69.899 68.868 0.027 0.000 1.053 414 T HN 0.210 nan 8.240 nan 0.000 0.533 415 G N 1.842 110.672 108.800 0.050 0.000 2.401 415 G HA2 0.359 4.319 3.960 0.001 0.000 0.068 415 G HA3 0.359 4.319 3.960 0.001 0.000 0.068 415 G C -1.652 173.289 174.900 0.068 0.000 0.911 415 G CA -0.165 44.971 45.100 0.062 0.000 1.242 415 G HN 0.823 nan 8.290 nan 0.000 0.504 416 N N -0.350 118.387 118.700 0.061 0.000 2.591 416 N HA 0.505 5.245 4.740 0.001 0.000 0.263 416 N C -1.510 174.023 175.510 0.038 0.000 1.308 416 N CA -0.692 52.388 53.050 0.051 0.000 0.837 416 N CB 2.465 40.992 38.487 0.067 0.000 1.548 416 N HN 0.572 nan 8.380 nan 0.000 0.493 417 E N 0.721 120.937 120.200 0.026 0.000 2.151 417 E HA 0.211 4.561 4.350 0.001 0.000 0.275 417 E C -1.067 175.545 176.600 0.020 0.000 0.936 417 E CA -0.710 55.702 56.400 0.021 0.000 0.777 417 E CB 0.739 30.447 29.700 0.014 0.000 1.108 417 E HN 0.533 nan 8.360 nan 0.000 0.401 418 N N 5.132 123.845 118.700 0.022 0.000 2.401 418 N HA 0.069 4.809 4.740 0.001 0.000 0.255 418 N C 0.684 176.203 175.510 0.016 0.000 1.110 418 N CA 0.070 53.133 53.050 0.022 0.000 0.949 418 N CB 0.714 39.217 38.487 0.026 0.000 1.110 418 N HN 0.634 nan 8.380 nan 0.000 0.490 419 L N 1.963 123.195 121.223 0.015 0.000 2.492 419 L HA 0.020 4.360 4.340 0.001 0.000 0.223 419 L C 1.287 178.165 176.870 0.014 0.000 1.132 419 L CA 0.807 55.654 54.840 0.013 0.000 0.850 419 L CB -0.145 41.924 42.059 0.017 0.000 0.966 419 L HN 0.598 nan 8.230 nan 0.000 0.454 420 T N -5.047 109.518 114.554 0.018 0.000 3.252 420 T HA 0.355 4.705 4.350 0.001 0.000 0.286 420 T C 1.338 176.049 174.700 0.018 0.000 1.013 420 T CA 0.305 62.416 62.100 0.019 0.000 0.914 420 T CB 0.724 69.603 68.868 0.019 0.000 1.131 420 T HN 0.104 nan 8.240 nan 0.000 0.529 421 A N 2.091 124.922 122.820 0.018 0.000 2.121 421 A HA 0.056 4.376 4.320 0.001 0.000 0.218 421 A C 2.427 180.024 177.584 0.022 0.000 1.154 421 A CA 1.346 53.396 52.037 0.021 0.000 0.679 421 A CB -0.833 18.179 19.000 0.020 0.000 0.795 421 A HN 0.757 nan 8.150 nan 0.000 0.458 422 S N -0.995 114.715 115.700 0.018 0.000 2.603 422 S HA 0.130 4.601 4.470 0.001 0.000 0.229 422 S C 0.509 175.125 174.600 0.027 0.000 0.972 422 S CA 0.542 58.753 58.200 0.017 0.000 0.935 422 S CB -0.679 62.526 63.200 0.008 0.000 0.769 422 S HN 0.541 nan 8.310 nan 0.000 0.536 423 V N 3.131 123.066 119.914 0.034 0.000 2.398 423 V HA 0.601 4.721 4.120 0.001 0.000 0.286 423 V C 0.151 176.273 176.094 0.046 0.000 1.026 423 V CA -0.921 61.406 62.300 0.045 0.000 0.868 423 V CB 1.463 33.325 31.823 0.065 0.000 0.982 423 V HN 0.428 nan 8.190 nan 0.000 0.443 424 V N 4.913 124.854 119.914 0.044 0.000 2.963 424 V HA 0.457 4.577 4.120 0.001 0.000 0.306 424 V C 0.660 176.810 176.094 0.093 0.000 1.077 424 V CA 0.822 63.155 62.300 0.055 0.000 1.124 424 V CB 0.739 32.586 31.823 0.040 0.000 0.987 424 V HN 1.097 nan 8.190 nan 0.000 0.487 425 K N 0.941 121.412 120.400 0.118 0.000 2.567 425 K HA 0.349 4.670 4.320 0.001 0.000 0.218 425 K C 0.446 177.195 176.600 0.247 0.000 1.440 425 K CA -0.594 55.815 56.287 0.204 0.000 0.995 425 K CB 0.281 32.880 32.500 0.165 0.000 1.186 425 K HN 0.542 nan 8.250 nan 0.000 0.593 426 K N 2.995 123.482 120.400 0.146 0.000 2.451 426 K HA 0.064 4.384 4.320 0.001 0.000 0.280 426 K C -1.835 174.808 176.600 0.072 0.000 1.020 426 K CA -1.447 54.910 56.287 0.116 0.000 1.008 426 K CB 0.800 33.336 32.500 0.060 0.000 0.917 426 K HN -0.063 nan 8.250 nan 0.000 0.478 427 P HA -0.244 nan 4.420 nan 0.000 0.218 427 P C 0.889 178.206 177.300 0.029 0.000 1.148 427 P CA 1.403 64.405 63.100 -0.164 0.000 0.822 427 P CB 0.182 31.532 31.700 -0.582 0.000 0.784 428 E N 1.068 121.274 120.200 0.009 0.000 2.152 428 E HA -0.176 4.174 4.350 0.001 0.000 0.192 428 E C 1.641 178.263 176.600 0.036 0.000 0.983 428 E CA 1.093 57.511 56.400 0.030 0.000 0.818 428 E CB -0.795 28.913 29.700 0.012 0.000 0.758 428 E HN 0.326 nan 8.360 nan 0.000 0.467 429 E N 0.762 120.983 120.200 0.036 0.000 2.107 429 E HA -0.023 4.327 4.350 0.001 0.000 0.191 429 E C 2.319 178.935 176.600 0.027 0.000 0.982 429 E CA 0.794 57.212 56.400 0.030 0.000 0.809 429 E CB -0.087 29.632 29.700 0.032 0.000 0.756 429 E HN 0.283 nan 8.360 nan 0.000 0.459 430 I N 1.428 122.028 120.570 0.050 0.000 2.142 430 I HA -0.289 3.882 4.170 0.001 0.000 0.240 430 I C 2.258 178.379 176.117 0.007 0.000 1.078 430 I CA 1.351 62.669 61.300 0.031 0.000 1.343 430 I CB -0.242 37.822 38.000 0.106 0.000 1.046 430 I HN 0.104 nan 8.210 nan 0.000 0.405 431 E N 0.835 121.068 120.200 0.055 0.000 2.085 431 E HA -0.241 4.109 4.350 0.001 0.000 0.194 431 E C 2.300 178.903 176.600 0.004 0.000 0.994 431 E CA 1.398 57.816 56.400 0.030 0.000 0.801 431 E CB -0.221 29.524 29.700 0.074 0.000 0.743 431 E HN 0.537 nan 8.360 nan 0.000 0.453 432 A N 1.056 123.882 122.820 0.009 0.000 1.930 432 A HA -0.133 4.187 4.320 0.001 0.000 0.217 432 A C 2.145 179.721 177.584 -0.013 0.000 1.175 432 A CA 0.802 52.839 52.037 -0.000 0.000 0.627 432 A CB -0.421 18.582 19.000 0.005 0.000 0.815 432 A HN 0.195 nan 8.150 nan 0.000 0.443 433 L N -0.586 120.623 121.223 -0.022 0.000 2.017 433 L HA -0.124 4.216 4.340 0.001 0.000 0.208 433 L C 2.546 179.383 176.870 -0.054 0.000 1.073 433 L CA 2.050 56.867 54.840 -0.039 0.000 0.745 433 L CB -0.358 41.668 42.059 -0.056 0.000 0.894 433 L HN 0.427 nan 8.230 nan 0.000 0.432 434 M N -2.293 117.268 119.600 -0.065 0.000 2.156 434 M HA -0.159 4.321 4.480 0.001 0.000 0.264 434 M C 2.132 178.407 176.300 -0.042 0.000 1.067 434 M CA 1.229 56.488 55.300 -0.070 0.000 1.131 434 M CB -0.360 32.193 32.600 -0.079 0.000 1.368 434 M HN 0.109 nan 8.290 nan 0.000 0.416 435 V N 0.639 120.535 119.914 -0.030 0.000 2.343 435 V HA -0.253 3.867 4.120 0.001 0.000 0.247 435 V C 2.634 178.716 176.094 -0.019 0.000 1.051 435 V CA 2.067 64.354 62.300 -0.020 0.000 1.036 435 V CB -1.054 30.762 31.823 -0.012 0.000 0.654 435 V HN 0.513 nan 8.190 nan 0.000 0.451 436 A N -0.247 122.561 122.820 -0.020 0.000 1.930 436 A HA -0.028 4.293 4.320 0.001 0.000 0.217 436 A C 2.381 179.953 177.584 -0.020 0.000 1.175 436 A CA 1.761 53.787 52.037 -0.017 0.000 0.627 436 A CB -0.635 18.357 19.000 -0.015 0.000 0.815 436 A HN 0.560 nan 8.150 nan 0.000 0.443 437 A N -0.323 122.481 122.820 -0.028 0.000 2.015 437 A HA -0.096 4.224 4.320 0.001 0.000 0.219 437 A C 2.180 179.748 177.584 -0.026 0.000 1.163 437 A CA 1.493 53.512 52.037 -0.029 0.000 0.646 437 A CB -0.336 18.639 19.000 -0.041 0.000 0.806 437 A HN 0.513 nan 8.150 nan 0.000 0.448 438 R N -0.277 120.208 120.500 -0.025 0.000 2.153 438 R HA 0.111 4.452 4.340 0.001 0.000 0.218 438 R C 1.396 177.686 176.300 -0.018 0.000 1.072 438 R CA 1.154 57.241 56.100 -0.022 0.000 0.990 438 R CB -0.239 30.048 30.300 -0.022 0.000 0.889 438 R HN 0.489 nan 8.270 nan 0.000 0.452 439 K N 0.000 120.391 120.400 -0.016 0.000 2.780 439 K HA 0.000 4.320 4.320 0.001 0.000 0.191 439 K CA 0.000 56.280 56.287 -0.012 0.000 0.838 439 K CB 0.000 32.494 32.500 -0.010 0.000 1.064 439 K HN 0.000 nan 8.250 nan 0.000 0.543