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 3mj4_1_D DATA FIRST_RESID 30 DATA SEQUENCE FDYLIVGAGF AGSVLAERLA SSGQRVLIVD RRPHIGGNAY DCYDDAGVLI DATA SEQUENCE HPYGPHIFHT NSKDVFEYLS RFTEWRPYQH RVLASVDGQL LPIPINLDTV DATA SEQUENCE NRLYGLNLTS FQVEEFFASV AEKVEQVRTS EDVVVSKVGR DLYNKFFRGY DATA SEQUENCE TRKQWGLDPS ELDASVTARV PTRTNRDNRY FADTYQAMPL HGYTRMFQNM DATA SEQUENCE LSSPNIKVML NTDYREIADF IPFQHMIYTG PVDAFFDFCY GKLPYRSLEF DATA SEQUENCE RHETHDTEQL LPTGTVNYPN DYAYTRVSEF KHITGQRHHQ TSVVYEYPRA DATA SEQUENCE EGDPYYPVPR PENAELYKKY EALADAAQDV TFVGRLATYR YYNMDQVVAQ DATA SEQUENCE ALATFRRLQ 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 30 F HA 0.000 nan 4.527 nan 0.000 0.279 30 F C 0.000 175.879 175.800 0.132 0.000 0.967 30 F CA 0.000 58.076 58.000 0.126 0.000 1.383 30 F CB 0.000 39.083 39.000 0.138 0.000 1.145 31 D N 0.678 121.283 120.400 0.341 0.000 2.123 31 D HA -0.071 4.569 4.640 0.000 0.000 0.200 31 D C -0.414 175.938 176.300 0.086 0.000 0.976 31 D CA 1.872 55.979 54.000 0.177 0.000 0.831 31 D CB 0.263 41.197 40.800 0.222 0.000 0.974 31 D HN 0.290 nan 8.370 nan 0.000 0.469 32 Y N -0.440 120.014 120.300 0.257 0.000 2.477 32 Y HA 0.383 4.934 4.550 0.000 0.000 0.347 32 Y C -0.545 175.383 175.900 0.046 0.000 0.981 32 Y CA -1.184 57.035 58.100 0.199 0.000 1.033 32 Y CB 2.091 40.640 38.460 0.149 0.000 1.245 32 Y HN -0.242 nan 8.280 nan 0.000 0.455 33 L N 5.048 126.332 121.223 0.101 0.000 2.280 33 L HA 0.619 4.960 4.340 0.000 0.000 0.287 33 L C -1.283 175.494 176.870 -0.155 0.000 1.023 33 L CA -0.363 54.341 54.840 -0.227 0.000 0.819 33 L CB 0.291 41.920 42.059 -0.715 0.000 1.212 33 L HN 0.485 nan 8.230 nan 0.000 0.420 34 I N 5.972 126.442 120.570 -0.165 0.000 2.339 34 I HA 0.337 4.507 4.170 0.000 0.000 0.290 34 I C -0.565 175.417 176.117 -0.225 0.000 0.994 34 I CA -0.978 60.224 61.300 -0.163 0.000 1.191 34 I CB 1.674 39.591 38.000 -0.139 0.000 1.343 34 I HN 0.239 nan 8.210 nan 0.000 0.458 35 V N 5.532 125.280 119.914 -0.277 0.000 2.334 35 V HA 0.764 4.884 4.120 0.000 0.000 0.267 35 V C 0.535 176.411 176.094 -0.362 0.000 1.040 35 V CA -0.308 61.792 62.300 -0.333 0.000 0.866 35 V CB 0.360 31.906 31.823 -0.462 0.000 1.019 35 V HN 1.096 nan 8.190 nan 0.000 0.468 36 G N 3.988 112.620 108.800 -0.281 0.000 2.885 36 G HA2 0.347 4.308 3.960 0.000 0.000 0.685 36 G HA3 0.347 4.308 3.960 0.000 0.000 0.685 36 G C -0.144 174.614 174.900 -0.236 0.000 1.216 36 G CA -0.187 44.753 45.100 -0.266 0.000 0.790 36 G HN 1.304 nan 8.290 nan 0.000 0.631 37 A N 1.035 123.698 122.820 -0.262 0.000 2.535 37 A HA 0.765 5.085 4.320 0.000 0.000 0.273 37 A C 1.558 178.889 177.584 -0.423 0.000 1.267 37 A CA 1.315 53.176 52.037 -0.292 0.000 0.940 37 A CB -0.126 18.697 19.000 -0.295 0.000 1.101 37 A HN 2.176 nan 8.150 nan 0.000 0.521 38 G N -1.032 107.571 108.800 -0.328 0.000 2.468 38 G HA2 0.312 4.272 3.960 0.000 0.000 0.264 38 G HA3 0.312 4.272 3.960 0.000 0.000 0.264 38 G C 0.631 175.480 174.900 -0.085 0.000 1.460 38 G CA -0.202 44.703 45.100 -0.325 0.000 1.060 38 G HN 0.171 nan 8.290 nan 0.000 0.543 39 F N 0.679 120.755 119.950 0.209 0.000 2.146 39 F HA -0.009 4.518 4.527 0.000 0.000 0.298 39 F C 3.065 178.942 175.800 0.128 0.000 1.096 39 F CA 1.464 59.647 58.000 0.305 0.000 1.275 39 F CB -0.198 38.953 39.000 0.253 0.000 1.008 39 F HN 0.349 nan 8.300 nan 0.000 0.480 40 A N 0.464 123.426 122.820 0.237 0.000 1.849 40 A HA -0.196 4.124 4.320 0.000 0.000 0.217 40 A C 2.512 180.111 177.584 0.025 0.000 1.202 40 A CA 2.201 54.292 52.037 0.090 0.000 0.629 40 A CB -1.678 17.339 19.000 0.029 0.000 0.834 40 A HN 0.417 nan 8.150 nan 0.000 0.447 41 G N -1.306 107.476 108.800 -0.030 0.000 2.421 41 G HA2 -0.115 3.845 3.960 0.000 0.000 0.216 41 G HA3 -0.115 3.845 3.960 0.000 0.000 0.216 41 G C 1.848 176.709 174.900 -0.065 0.000 1.171 41 G CA 1.355 46.404 45.100 -0.085 0.000 0.775 41 G HN 0.500 nan 8.290 nan 0.000 0.543 42 S N -0.133 115.558 115.700 -0.016 0.000 2.383 42 S HA -0.079 4.391 4.470 0.000 0.000 0.227 42 S C 2.511 177.103 174.600 -0.013 0.000 1.026 42 S CA 1.027 59.228 58.200 0.002 0.000 0.981 42 S CB -0.180 63.108 63.200 0.146 0.000 0.818 42 S HN 0.176 nan 8.310 nan 0.000 0.472 43 V N 2.006 121.956 119.914 0.059 0.000 2.261 43 V HA -0.152 3.968 4.120 0.000 0.000 0.246 43 V C 2.194 178.238 176.094 -0.082 0.000 1.047 43 V CA 1.553 63.889 62.300 0.059 0.000 1.015 43 V CB -0.670 31.218 31.823 0.108 0.000 0.642 43 V HN 0.387 nan 8.190 nan 0.000 0.446 44 L N 0.070 121.231 121.223 -0.103 0.000 2.042 44 L HA -0.184 4.157 4.340 0.000 0.000 0.210 44 L C 2.668 179.395 176.870 -0.238 0.000 1.076 44 L CA 1.713 56.446 54.840 -0.180 0.000 0.749 44 L CB -0.728 41.260 42.059 -0.117 0.000 0.893 44 L HN 0.357 nan 8.230 nan 0.000 0.432 45 A N -0.848 121.869 122.820 -0.171 0.000 1.933 45 A HA -0.220 4.100 4.320 0.000 0.000 0.218 45 A C 2.338 179.829 177.584 -0.155 0.000 1.175 45 A CA 1.667 53.609 52.037 -0.159 0.000 0.628 45 A CB -0.413 18.513 19.000 -0.123 0.000 0.814 45 A HN 0.407 nan 8.150 nan 0.000 0.444 46 E N 0.143 120.250 120.200 -0.154 0.000 2.028 46 E HA -0.178 4.172 4.350 0.000 0.000 0.190 46 E C 2.208 178.711 176.600 -0.161 0.000 0.984 46 E CA 0.754 57.078 56.400 -0.127 0.000 0.800 46 E CB -0.276 29.333 29.700 -0.151 0.000 0.758 46 E HN 0.384 nan 8.360 nan 0.000 0.448 47 R N 0.510 120.815 120.500 -0.326 0.000 2.103 47 R HA -0.156 4.185 4.340 0.000 0.000 0.234 47 R C 2.469 178.337 176.300 -0.720 0.000 1.132 47 R CA 0.876 56.506 56.100 -0.783 0.000 0.925 47 R CB -1.289 28.066 30.300 -1.576 0.000 0.842 47 R HN 0.269 nan 8.270 nan 0.000 0.430 48 L N 0.642 121.534 121.223 -0.552 0.000 2.013 48 L HA -0.170 4.170 4.340 0.000 0.000 0.212 48 L C 2.544 179.394 176.870 -0.034 0.000 1.073 48 L CA 2.139 56.879 54.840 -0.166 0.000 0.753 48 L CB -1.700 40.199 42.059 -0.268 0.000 0.890 48 L HN 0.222 nan 8.230 nan 0.000 0.432 49 A N -0.377 122.406 122.820 -0.062 0.000 1.948 49 A HA -0.226 4.094 4.320 0.000 0.000 0.220 49 A C 2.457 180.062 177.584 0.035 0.000 1.177 49 A CA 2.195 54.238 52.037 0.011 0.000 0.636 49 A CB -0.638 18.359 19.000 -0.005 0.000 0.815 49 A HN 0.590 nan 8.150 nan 0.000 0.449 50 S N -0.432 115.275 115.700 0.012 0.000 2.527 50 S HA -0.029 4.441 4.470 0.000 0.000 0.222 50 S C 1.772 176.427 174.600 0.090 0.000 0.985 50 S CA 1.136 59.365 58.200 0.048 0.000 0.921 50 S CB -0.466 62.761 63.200 0.045 0.000 0.772 50 S HN 0.875 nan 8.310 nan 0.000 0.529 51 S N 0.043 115.817 115.700 0.124 0.000 2.528 51 S HA 0.465 4.935 4.470 0.000 0.000 0.219 51 S C 1.581 176.265 174.600 0.140 0.000 0.985 51 S CA 0.647 58.956 58.200 0.181 0.000 0.914 51 S CB -0.291 63.093 63.200 0.307 0.000 0.776 51 S HN 1.439 nan 8.310 nan 0.000 0.526 52 G N 0.343 109.215 108.800 0.121 0.000 2.192 52 G HA2 -0.153 3.807 3.960 0.000 0.000 0.193 52 G HA3 -0.153 3.807 3.960 0.000 0.000 0.193 52 G C -0.154 174.825 174.900 0.132 0.000 0.999 52 G CA -0.267 44.899 45.100 0.110 0.000 0.659 52 G HN 0.501 nan 8.290 nan 0.000 0.503 53 Q N 0.570 120.472 119.800 0.170 0.000 2.392 53 Q HA 0.316 4.656 4.340 0.000 0.000 0.262 53 Q C 0.417 176.546 176.000 0.214 0.000 1.003 53 Q CA 0.113 56.054 55.803 0.230 0.000 0.888 53 Q CB 0.907 29.846 28.738 0.335 0.000 1.260 53 Q HN 0.419 nan 8.270 nan 0.000 0.435 54 R N 0.981 121.634 120.500 0.254 0.000 2.234 54 R HA 0.363 4.704 4.340 0.000 0.000 0.324 54 R C -0.734 175.801 176.300 0.392 0.000 1.054 54 R CA -0.262 56.021 56.100 0.304 0.000 0.912 54 R CB 0.762 31.235 30.300 0.288 0.000 1.030 54 R HN 0.293 nan 8.270 nan 0.000 0.455 55 V N 5.358 125.438 119.914 0.276 0.000 2.495 55 V HA 0.299 4.419 4.120 0.000 0.000 0.298 55 V C -0.729 175.273 176.094 -0.154 0.000 1.031 55 V CA -0.913 61.452 62.300 0.107 0.000 0.871 55 V CB 1.796 33.633 31.823 0.023 0.000 0.988 55 V HN 0.487 nan 8.190 nan 0.000 0.432 56 L N 6.627 127.552 121.223 -0.498 0.000 2.294 56 L HA 0.655 4.995 4.340 0.000 0.000 0.283 56 L C -0.678 175.951 176.870 -0.403 0.000 1.015 56 L CA 0.078 54.469 54.840 -0.748 0.000 0.831 56 L CB 1.028 42.238 42.059 -1.415 0.000 1.217 56 L HN 0.679 nan 8.230 nan 0.000 0.420 57 I N 5.351 125.753 120.570 -0.280 0.000 2.377 57 I HA 0.650 4.821 4.170 0.000 0.000 0.293 57 I C -1.396 174.595 176.117 -0.209 0.000 0.987 57 I CA -0.612 60.557 61.300 -0.219 0.000 1.185 57 I CB 1.735 39.631 38.000 -0.173 0.000 1.341 57 I HN 0.498 nan 8.210 nan 0.000 0.455 58 V N 7.459 127.252 119.914 -0.203 0.000 2.760 58 V HA 0.594 4.714 4.120 0.000 0.000 0.309 58 V C -1.501 174.491 176.094 -0.171 0.000 1.077 58 V CA -0.269 61.926 62.300 -0.176 0.000 0.910 58 V CB 2.025 33.752 31.823 -0.161 0.000 1.008 58 V HN 0.829 nan 8.190 nan 0.000 0.424 59 D N 3.881 124.179 120.400 -0.170 0.000 2.645 59 D HA 0.426 5.066 4.640 0.000 0.000 0.228 59 D C 0.614 176.811 176.300 -0.172 0.000 1.148 59 D CA -0.547 53.339 54.000 -0.191 0.000 0.860 59 D CB 2.536 43.185 40.800 -0.252 0.000 1.548 59 D HN 0.671 nan 8.370 nan 0.000 0.460 60 R N 1.606 122.010 120.500 -0.161 0.000 2.173 60 R HA 0.179 4.519 4.340 0.000 0.000 0.208 60 R C 0.530 176.720 176.300 -0.183 0.000 1.035 60 R CA -0.063 55.956 56.100 -0.134 0.000 1.004 60 R CB 0.157 30.406 30.300 -0.085 0.000 0.917 60 R HN 0.151 nan 8.270 nan 0.000 0.462 61 R N 2.269 122.601 120.500 -0.279 0.000 2.679 61 R HA 0.117 4.457 4.340 0.000 0.000 0.269 61 R C -1.855 174.185 176.300 -0.433 0.000 1.076 61 R CA -1.460 54.397 56.100 -0.405 0.000 1.160 61 R CB 0.107 29.998 30.300 -0.683 0.000 1.054 61 R HN 0.047 nan 8.270 nan 0.000 0.507 62 P HA 0.065 nan 4.420 nan 0.000 0.254 62 P C -1.312 175.849 177.300 -0.232 0.000 1.494 62 P CA 0.250 63.203 63.100 -0.244 0.000 0.961 62 P CB 0.042 31.663 31.700 -0.131 0.000 1.493 63 H N -1.191 117.708 119.070 -0.285 0.000 3.008 63 H HA 0.603 5.159 4.556 0.000 0.000 0.354 63 H C 0.062 175.198 175.328 -0.320 0.000 1.252 63 H CA -1.399 54.440 56.048 -0.349 0.000 1.117 63 H CB 0.350 29.634 29.762 -0.796 0.000 1.857 63 H HN -0.145 nan 8.280 nan 0.000 0.547 64 I N -1.999 118.565 120.570 -0.010 0.000 3.223 64 I HA 0.701 4.871 4.170 0.000 0.000 0.317 64 I C 1.142 177.119 176.117 -0.234 0.000 1.050 64 I CA -0.415 60.794 61.300 -0.152 0.000 1.069 64 I CB 1.003 38.914 38.000 -0.147 0.000 1.406 64 I HN 1.069 nan 8.210 nan 0.000 0.596 65 G N 0.495 108.783 108.800 -0.853 0.000 2.199 65 G HA2 -0.089 3.872 3.960 0.000 0.000 0.254 65 G HA3 -0.089 3.872 3.960 0.000 0.000 0.254 65 G C 0.979 175.337 174.900 -0.904 0.000 0.982 65 G CA 0.375 44.452 45.100 -1.704 0.000 0.632 65 G HN 2.102 nan 8.290 nan 0.000 0.529 66 G N 0.658 109.184 108.800 -0.456 0.000 2.652 66 G HA2 -0.425 3.535 3.960 0.000 0.000 0.318 66 G HA3 -0.425 3.535 3.960 0.000 0.000 0.318 66 G C 0.880 175.618 174.900 -0.270 0.000 1.295 66 G CA 1.171 46.090 45.100 -0.302 0.000 0.999 66 G HN 1.423 nan 8.290 nan 0.000 0.548 67 N N 1.141 119.682 118.700 -0.266 0.000 2.443 67 N HA 0.212 4.952 4.740 0.000 0.000 0.184 67 N C 2.202 177.496 175.510 -0.359 0.000 1.037 67 N CA 1.973 54.861 53.050 -0.270 0.000 0.896 67 N CB -0.311 38.199 38.487 0.040 0.000 0.959 67 N HN 0.917 nan 8.380 nan 0.000 0.442 68 A N -1.201 121.387 122.820 -0.387 0.000 2.275 68 A HA 0.060 4.380 4.320 0.000 0.000 0.212 68 A C 0.267 177.574 177.584 -0.461 0.000 1.201 68 A CA -0.440 51.187 52.037 -0.683 0.000 0.843 68 A CB -0.588 18.206 19.000 -0.343 0.000 0.873 68 A HN 0.418 nan 8.150 nan 0.000 0.492 69 Y N 2.716 122.798 120.300 -0.363 0.000 2.811 69 Y HA 0.211 4.761 4.550 0.000 0.000 0.334 69 Y C -0.119 175.662 175.900 -0.198 0.000 1.247 69 Y CA 0.049 57.980 58.100 -0.281 0.000 1.526 69 Y CB 0.303 38.475 38.460 -0.480 0.000 1.284 69 Y HN 0.525 nan 8.280 nan 0.000 0.586 70 D N 4.444 124.360 120.400 -0.807 0.000 2.477 70 D HA 0.598 5.239 4.640 0.000 0.000 0.234 70 D C -1.125 174.578 176.300 -0.995 0.000 1.048 70 D CA -0.598 52.991 54.000 -0.685 0.000 0.959 70 D CB 1.144 41.879 40.800 -0.109 0.000 1.408 70 D HN 0.745 nan 8.370 nan 0.000 0.496 71 C N -2.124 116.769 119.300 -0.679 0.000 3.311 71 C HA 0.664 5.124 4.460 0.000 0.000 0.325 71 C C -1.333 173.395 174.990 -0.436 0.000 1.352 71 C CA -1.175 57.565 59.018 -0.464 0.000 1.308 71 C CB -0.102 27.459 27.740 -0.298 0.000 1.619 71 C HN 0.608 nan 8.230 nan 0.000 0.469 72 Y N 2.368 122.545 120.300 -0.205 0.000 2.365 72 Y HA 0.408 4.958 4.550 0.000 0.000 0.340 72 Y C 1.185 176.987 175.900 -0.163 0.000 1.016 72 Y CA 0.623 58.618 58.100 -0.173 0.000 1.196 72 Y CB 0.664 39.059 38.460 -0.109 0.000 1.167 72 Y HN 0.870 nan 8.280 nan 0.000 0.509 73 D N 0.371 120.707 120.400 -0.107 0.000 2.398 73 D HA -0.044 4.596 4.640 0.000 0.000 0.264 73 D C 0.385 176.663 176.300 -0.036 0.000 1.263 73 D CA -0.108 53.821 54.000 -0.119 0.000 1.037 73 D CB 0.507 41.189 40.800 -0.197 0.000 1.101 73 D HN 0.409 nan 8.370 nan 0.000 0.551 74 D N -1.072 119.302 120.400 -0.044 0.000 2.178 74 D HA -0.019 4.621 4.640 0.000 0.000 0.202 74 D C 1.791 178.102 176.300 0.018 0.000 0.974 74 D CA 1.686 55.680 54.000 -0.009 0.000 0.841 74 D CB -0.476 40.316 40.800 -0.013 0.000 0.953 74 D HN 0.520 nan 8.370 nan 0.000 0.478 75 A N -0.456 122.363 122.820 -0.001 0.000 2.119 75 A HA 0.333 4.653 4.320 0.000 0.000 0.216 75 A C 1.865 179.536 177.584 0.144 0.000 1.152 75 A CA 1.495 53.557 52.037 0.040 0.000 0.708 75 A CB -0.112 18.857 19.000 -0.052 0.000 0.805 75 A HN 0.285 nan 8.150 nan 0.000 0.460 76 G N -2.190 106.675 108.800 0.109 0.000 2.179 76 G HA2 -0.166 3.794 3.960 0.000 0.000 0.220 76 G HA3 -0.166 3.794 3.960 0.000 0.000 0.220 76 G C 0.134 175.178 174.900 0.239 0.000 0.990 76 G CA -0.002 45.241 45.100 0.238 0.000 0.646 76 G HN 0.742 nan 8.290 nan 0.000 0.517 77 V N 1.709 121.548 119.914 -0.124 0.000 2.583 77 V HA 0.540 4.660 4.120 0.000 0.000 0.287 77 V C 0.879 176.787 176.094 -0.311 0.000 1.051 77 V CA -0.442 61.690 62.300 -0.280 0.000 1.010 77 V CB 1.572 33.140 31.823 -0.425 0.000 0.988 77 V HN 0.465 nan 8.190 nan 0.000 0.478 78 L N 7.740 128.675 121.223 -0.479 0.000 2.361 78 L HA 0.547 4.887 4.340 0.000 0.000 0.278 78 L C -0.255 176.156 176.870 -0.765 0.000 1.113 78 L CA 0.606 54.928 54.840 -0.864 0.000 0.849 78 L CB 0.154 41.668 42.059 -0.908 0.000 1.155 78 L HN 0.661 nan 8.230 nan 0.000 0.452 79 I N 0.601 120.634 120.570 -0.895 0.000 3.145 79 I HA 0.525 4.695 4.170 0.000 0.000 0.313 79 I C -0.982 174.455 176.117 -1.133 0.000 1.122 79 I CA -0.709 59.723 61.300 -1.445 0.000 0.987 79 I CB 2.072 39.380 38.000 -1.154 0.000 1.236 79 I HN 0.531 nan 8.210 nan 0.000 0.453 80 H N 1.788 120.102 119.070 -1.260 0.000 2.691 80 H HA 0.323 4.879 4.556 0.000 0.000 0.281 80 H C -2.071 173.058 175.328 -0.331 0.000 1.121 80 H CA -1.856 53.905 56.048 -0.478 0.000 1.254 80 H CB 1.006 30.746 29.762 -0.037 0.000 1.390 80 H HN 0.460 nan 8.280 nan 0.000 0.491 81 P HA -0.200 nan 4.420 nan 0.000 0.218 81 P C -0.175 176.743 177.300 -0.636 0.000 1.146 81 P CA 1.381 64.190 63.100 -0.484 0.000 0.813 81 P CB 0.094 31.390 31.700 -0.674 0.000 0.778 82 Y N -0.706 119.447 120.300 -0.245 0.000 2.833 82 Y HA 0.552 5.102 4.550 0.000 0.000 0.339 82 Y C 1.253 176.805 175.900 -0.581 0.000 1.032 82 Y CA -0.275 57.592 58.100 -0.388 0.000 1.450 82 Y CB -0.171 38.279 38.460 -0.016 0.000 1.296 82 Y HN -0.085 nan 8.280 nan 0.000 0.535 83 G N 1.466 109.776 108.800 -0.817 0.000 2.692 83 G HA2 -0.153 3.807 3.960 0.000 0.000 0.686 83 G HA3 -0.153 3.807 3.960 0.000 0.000 0.686 83 G C -3.092 172.017 174.900 0.348 0.000 1.243 83 G CA -1.550 43.447 45.100 -0.173 0.000 0.782 83 G HN 0.032 nan 8.290 nan 0.000 0.625 84 P HA 0.220 nan 4.420 nan 0.000 0.267 84 P C -0.618 176.974 177.300 0.487 0.000 1.205 84 P CA 0.363 63.853 63.100 0.650 0.000 0.765 84 P CB 0.447 32.303 31.700 0.261 0.000 0.828 85 H N 2.676 121.895 119.070 0.248 0.000 2.595 85 H HA 0.426 4.982 4.556 0.000 0.000 0.313 85 H C -0.120 175.416 175.328 0.347 0.000 1.023 85 H CA -0.470 55.648 56.048 0.116 0.000 1.218 85 H CB 0.228 29.849 29.762 -0.236 0.000 1.403 85 H HN 0.234 nan 8.280 nan 0.000 0.477 86 I N 3.917 124.712 120.570 0.374 0.000 2.297 86 I HA 0.085 4.256 4.170 0.000 0.000 0.291 86 I C -0.254 176.096 176.117 0.389 0.000 1.033 86 I CA -0.435 61.114 61.300 0.415 0.000 1.253 86 I CB 0.044 38.221 38.000 0.295 0.000 1.396 86 I HN 0.433 nan 8.210 nan 0.000 0.476 87 F N 7.937 128.118 119.950 0.384 0.000 2.467 87 F HA 0.383 4.910 4.527 0.000 0.000 0.362 87 F C 0.265 176.135 175.800 0.117 0.000 1.090 87 F CA 0.225 58.370 58.000 0.242 0.000 1.202 87 F CB 0.027 39.273 39.000 0.410 0.000 1.113 87 F HN 0.657 nan 8.300 nan 0.000 0.541 88 H N 1.560 120.118 119.070 -0.854 0.000 2.996 88 H HA 0.682 5.238 4.556 0.000 0.000 0.368 88 H C -1.160 173.725 175.328 -0.738 0.000 1.185 88 H CA -1.031 54.634 56.048 -0.639 0.000 1.160 88 H CB 1.940 31.274 29.762 -0.714 0.000 1.820 88 H HN 0.548 nan 8.280 nan 0.000 0.547 89 T N 0.939 115.310 114.554 -0.304 0.000 2.886 89 T HA 0.232 4.582 4.350 0.000 0.000 0.330 89 T C -0.698 174.045 174.700 0.070 0.000 1.488 89 T CA -0.815 61.175 62.100 -0.182 0.000 1.054 89 T CB 1.172 69.935 68.868 -0.176 0.000 1.348 89 T HN 0.750 nan 8.240 nan 0.000 0.489 90 N N 1.269 120.014 118.700 0.075 0.000 2.236 90 N HA 0.153 4.893 4.740 0.000 0.000 0.196 90 N C -0.024 175.602 175.510 0.193 0.000 1.114 90 N CA 0.041 53.172 53.050 0.135 0.000 0.859 90 N CB 0.927 39.450 38.487 0.059 0.000 0.982 90 N HN 0.444 nan 8.380 nan 0.000 0.493 91 S N 0.746 116.525 115.700 0.132 0.000 2.410 91 S HA 0.173 4.643 4.470 0.000 0.000 0.304 91 S C 1.222 175.804 174.600 -0.031 0.000 1.095 91 S CA -0.578 57.666 58.200 0.074 0.000 1.089 91 S CB 1.204 64.428 63.200 0.040 0.000 0.968 91 S HN 0.153 nan 8.310 nan 0.000 0.480 92 K N 3.785 124.175 120.400 -0.017 0.000 2.148 92 K HA -0.118 4.202 4.320 0.000 0.000 0.204 92 K C 0.773 177.324 176.600 -0.082 0.000 1.050 92 K CA 1.679 57.841 56.287 -0.209 0.000 0.942 92 K CB -0.081 32.439 32.500 0.033 0.000 0.724 92 K HN 0.600 nan 8.250 nan 0.000 0.446 93 D N 0.449 120.848 120.400 -0.000 0.000 2.104 93 D HA -0.160 4.480 4.640 0.000 0.000 0.194 93 D C 1.982 178.323 176.300 0.069 0.000 0.994 93 D CA 1.243 55.263 54.000 0.033 0.000 0.830 93 D CB -0.252 40.567 40.800 0.032 0.000 0.959 93 D HN 0.056 nan 8.370 nan 0.000 0.452 94 V N 0.716 120.677 119.914 0.078 0.000 2.270 94 V HA -0.205 3.915 4.120 0.000 0.000 0.245 94 V C 2.215 178.430 176.094 0.202 0.000 1.043 94 V CA 1.277 63.674 62.300 0.161 0.000 1.014 94 V CB -0.630 31.288 31.823 0.158 0.000 0.645 94 V HN 0.104 nan 8.190 nan 0.000 0.447 95 F N 0.890 120.805 119.950 -0.058 0.000 2.154 95 F HA -0.253 4.274 4.527 0.000 0.000 0.301 95 F C 2.376 178.126 175.800 -0.083 0.000 1.087 95 F CA 2.170 60.067 58.000 -0.171 0.000 1.274 95 F CB 0.056 38.697 39.000 -0.600 0.000 1.009 95 F HN 0.223 nan 8.300 nan 0.000 0.485 96 E N -1.448 118.689 120.200 -0.106 0.000 2.158 96 E HA -0.195 4.155 4.350 0.000 0.000 0.191 96 E C 1.749 178.322 176.600 -0.046 0.000 0.982 96 E CA 0.868 57.199 56.400 -0.116 0.000 0.823 96 E CB -0.290 29.396 29.700 -0.024 0.000 0.766 96 E HN 0.617 nan 8.360 nan 0.000 0.468 97 Y N 1.120 121.389 120.300 -0.052 0.000 2.109 97 Y HA -0.225 4.325 4.550 0.000 0.000 0.285 97 Y C 1.879 177.804 175.900 0.042 0.000 1.131 97 Y CA 1.103 59.206 58.100 0.005 0.000 1.121 97 Y CB -0.307 38.194 38.460 0.069 0.000 0.987 97 Y HN -0.030 nan 8.280 nan 0.000 0.495 98 L N 0.288 121.521 121.223 0.016 0.000 2.129 98 L HA -0.247 4.093 4.340 0.000 0.000 0.212 98 L C 2.474 179.264 176.870 -0.133 0.000 1.087 98 L CA 1.936 56.759 54.840 -0.029 0.000 0.757 98 L CB -1.599 40.519 42.059 0.098 0.000 0.896 98 L HN 0.260 nan 8.230 nan 0.000 0.434 99 S N -0.965 114.645 115.700 -0.150 0.000 2.469 99 S HA -0.137 4.333 4.470 0.000 0.000 0.238 99 S C 1.897 176.288 174.600 -0.349 0.000 0.998 99 S CA 0.642 58.750 58.200 -0.153 0.000 0.957 99 S CB -0.208 62.905 63.200 -0.145 0.000 0.764 99 S HN 0.457 nan 8.310 nan 0.000 0.514 100 R N -0.143 120.017 120.500 -0.567 0.000 2.237 100 R HA 0.015 4.356 4.340 0.000 0.000 0.219 100 R C 0.794 176.456 176.300 -1.063 0.000 1.080 100 R CA 1.115 56.679 56.100 -0.893 0.000 0.995 100 R CB -0.192 29.359 30.300 -1.249 0.000 0.875 100 R HN 0.455 nan 8.270 nan 0.000 0.462 101 F N -1.889 117.848 119.950 -0.354 0.000 2.746 101 F HA 0.248 4.775 4.527 0.000 0.000 0.313 101 F C 0.666 176.244 175.800 -0.370 0.000 1.095 101 F CA -0.306 57.494 58.000 -0.334 0.000 1.224 101 F CB 1.055 39.839 39.000 -0.359 0.000 1.060 101 F HN -0.233 nan 8.300 nan 0.000 0.584 102 T N -0.089 114.235 114.554 -0.384 0.000 2.894 102 T HA 0.325 4.676 4.350 0.000 0.000 0.309 102 T C -0.751 173.530 174.700 -0.699 0.000 1.208 102 T CA -0.548 61.224 62.100 -0.546 0.000 1.016 102 T CB 1.567 69.974 68.868 -0.769 0.000 1.192 102 T HN 0.006 nan 8.240 nan 0.000 0.491 103 E N 1.249 121.123 120.200 -0.542 0.000 2.351 103 E HA 0.390 4.740 4.350 0.000 0.000 0.255 103 E C -1.007 175.191 176.600 -0.669 0.000 1.188 103 E CA -0.468 55.657 56.400 -0.457 0.000 0.940 103 E CB 0.858 30.421 29.700 -0.229 0.000 1.094 103 E HN 0.516 nan 8.360 nan 0.000 0.474 104 W N 0.377 121.625 121.300 -0.086 0.000 2.819 104 W HA 0.363 5.023 4.660 0.000 0.000 0.337 104 W C -0.116 176.403 176.519 -0.000 0.000 1.077 104 W CA -0.779 56.555 57.345 -0.019 0.000 1.226 104 W CB 1.152 30.687 29.460 0.125 0.000 1.419 104 W HN 0.156 nan 8.180 nan 0.000 0.502 105 R N 3.556 124.214 120.500 0.263 0.000 2.265 105 R HA 0.437 4.777 4.340 0.000 0.000 0.328 105 R C -2.618 173.861 176.300 0.299 0.000 0.969 105 R CA -1.736 54.486 56.100 0.203 0.000 0.832 105 R CB 1.104 31.465 30.300 0.102 0.000 1.139 105 R HN 0.115 nan 8.270 nan 0.000 0.457 106 P HA 0.061 nan 4.420 nan 0.000 0.271 106 P C -1.663 175.829 177.300 0.319 0.000 1.216 106 P CA 0.121 63.368 63.100 0.245 0.000 0.776 106 P CB 0.269 32.063 31.700 0.158 0.000 0.881 107 Y N 0.974 121.370 120.300 0.160 0.000 2.333 107 Y HA 0.249 4.800 4.550 0.000 0.000 0.319 107 Y C -1.490 174.528 175.900 0.196 0.000 1.200 107 Y CA -0.465 57.743 58.100 0.180 0.000 1.084 107 Y CB 1.404 39.995 38.460 0.217 0.000 1.268 107 Y HN 0.297 nan 8.280 nan 0.000 0.422 108 Q N 5.348 124.927 119.800 -0.368 0.000 2.466 108 Q HA 0.195 4.535 4.340 0.000 0.000 0.242 108 Q C -1.022 174.657 176.000 -0.534 0.000 1.046 108 Q CA -0.893 54.722 55.803 -0.314 0.000 0.841 108 Q CB 0.692 29.357 28.738 -0.121 0.000 1.193 108 Q HN 0.678 nan 8.270 nan 0.000 0.508 109 H N 2.691 121.363 119.070 -0.662 0.000 3.094 109 H HA 0.002 4.558 4.556 0.000 0.000 0.320 109 H C -0.637 174.597 175.328 -0.156 0.000 1.000 109 H CA 1.021 56.837 56.048 -0.388 0.000 1.413 109 H CB 0.402 30.256 29.762 0.153 0.000 1.405 109 H HN 0.399 nan 8.280 nan 0.000 0.586 110 R N 3.821 124.032 120.500 -0.481 0.000 2.480 110 R HA 0.448 4.788 4.340 0.000 0.000 0.306 110 R C -1.290 174.697 176.300 -0.522 0.000 0.958 110 R CA -1.065 54.803 56.100 -0.387 0.000 0.861 110 R CB 2.026 32.197 30.300 -0.215 0.000 1.171 110 R HN 0.307 nan 8.270 nan 0.000 0.445 111 V N 4.883 124.564 119.914 -0.388 0.000 2.417 111 V HA 0.329 4.449 4.120 0.000 0.000 0.291 111 V C -0.505 175.466 176.094 -0.205 0.000 1.024 111 V CA -0.838 61.258 62.300 -0.340 0.000 0.861 111 V CB 1.631 33.239 31.823 -0.358 0.000 0.985 111 V HN 0.462 nan 8.190 nan 0.000 0.436 112 L N 3.983 125.084 121.223 -0.202 0.000 2.334 112 L HA 0.812 5.152 4.340 0.000 0.000 0.275 112 L C 0.372 177.142 176.870 -0.167 0.000 1.036 112 L CA -0.329 54.417 54.840 -0.156 0.000 0.807 112 L CB 1.558 43.527 42.059 -0.150 0.000 1.231 112 L HN 0.765 nan 8.230 nan 0.000 0.438 113 A N 1.543 124.298 122.820 -0.109 0.000 2.318 113 A HA 0.523 4.843 4.320 0.000 0.000 0.317 113 A C -0.141 177.348 177.584 -0.158 0.000 1.159 113 A CA -0.434 51.528 52.037 -0.124 0.000 0.799 113 A CB 0.916 19.933 19.000 0.028 0.000 1.194 113 A HN 0.612 nan 8.150 nan 0.000 0.479 114 S N 2.286 117.817 115.700 -0.281 0.000 2.437 114 S HA 0.433 4.903 4.470 0.000 0.000 0.304 114 S C -0.439 174.071 174.600 -0.150 0.000 1.167 114 S CA -0.111 57.973 58.200 -0.194 0.000 1.106 114 S CB -0.795 62.286 63.200 -0.198 0.000 1.099 114 S HN 0.688 nan 8.310 nan 0.000 0.524 115 V N 5.061 124.872 119.914 -0.172 0.000 2.638 115 V HA 0.357 4.477 4.120 0.000 0.000 0.306 115 V C -0.174 175.819 176.094 -0.168 0.000 1.052 115 V CA -0.831 61.311 62.300 -0.264 0.000 0.885 115 V CB 1.821 33.306 31.823 -0.562 0.000 0.999 115 V HN 0.837 nan 8.190 nan 0.000 0.424 116 D N 3.632 123.948 120.400 -0.140 0.000 2.792 116 D HA -0.193 4.447 4.640 0.000 0.000 0.231 116 D C 1.328 177.596 176.300 -0.053 0.000 1.160 116 D CA 2.208 56.156 54.000 -0.088 0.000 0.697 116 D CB -1.037 39.706 40.800 -0.095 0.000 1.070 116 D HN 1.527 nan 8.370 nan 0.000 0.426 117 G N -1.245 107.534 108.800 -0.035 0.000 2.159 117 G HA2 -0.338 3.622 3.960 0.000 0.000 0.256 117 G HA3 -0.338 3.622 3.960 0.000 0.000 0.256 117 G C 0.207 175.102 174.900 -0.008 0.000 0.977 117 G CA 0.651 45.747 45.100 -0.005 0.000 0.652 117 G HN 0.535 nan 8.290 nan 0.000 0.531 118 Q N -1.016 118.765 119.800 -0.031 0.000 2.359 118 Q HA 0.755 5.096 4.340 0.000 0.000 0.275 118 Q C -0.290 175.685 176.000 -0.040 0.000 1.082 118 Q CA -0.985 54.799 55.803 -0.031 0.000 0.849 118 Q CB 1.847 30.562 28.738 -0.037 0.000 1.377 118 Q HN 0.237 nan 8.270 nan 0.000 0.452 119 L N 2.354 123.554 121.223 -0.039 0.000 2.297 119 L HA 0.317 4.657 4.340 0.000 0.000 0.277 119 L C -1.232 175.612 176.870 -0.045 0.000 1.040 119 L CA -0.533 54.273 54.840 -0.057 0.000 0.867 119 L CB 0.428 42.449 42.059 -0.064 0.000 1.244 119 L HN 0.228 nan 8.230 nan 0.000 0.433 120 L N 5.189 126.400 121.223 -0.020 0.000 2.325 120 L HA 0.606 4.946 4.340 0.000 0.000 0.278 120 L C -2.164 174.698 176.870 -0.013 0.000 1.023 120 L CA -2.588 52.258 54.840 0.009 0.000 0.811 120 L CB 1.261 43.384 42.059 0.107 0.000 1.249 120 L HN 0.191 nan 8.230 nan 0.000 0.431 121 P HA 0.270 nan 4.420 nan 0.000 0.267 121 P C -0.726 176.483 177.300 -0.152 0.000 1.205 121 P CA 0.161 63.199 63.100 -0.103 0.000 0.765 121 P CB 0.699 32.332 31.700 -0.112 0.000 0.828 122 I N 4.725 125.208 120.570 -0.145 0.000 2.545 122 I HA 0.481 4.651 4.170 0.000 0.000 0.292 122 I C -2.559 173.476 176.117 -0.137 0.000 1.040 122 I CA -3.273 57.908 61.300 -0.198 0.000 1.068 122 I CB 2.332 40.227 38.000 -0.176 0.000 1.251 122 I HN 0.184 nan 8.210 nan 0.000 0.424 123 P HA 0.047 nan 4.420 nan 0.000 0.266 123 P C -0.610 176.532 177.300 -0.263 0.000 1.186 123 P CA 0.310 63.245 63.100 -0.274 0.000 0.767 123 P CB 0.228 31.745 31.700 -0.306 0.000 0.820 124 I N 2.846 123.233 120.570 -0.306 0.000 2.741 124 I HA -0.066 4.104 4.170 0.000 0.000 0.288 124 I C 1.202 177.234 176.117 -0.142 0.000 1.192 124 I CA 0.665 61.769 61.300 -0.326 0.000 1.426 124 I CB -0.278 37.528 38.000 -0.323 0.000 1.367 124 I HN 0.519 nan 8.210 nan 0.000 0.563 125 N N 6.125 124.760 118.700 -0.108 0.000 3.167 125 N HA 0.270 5.010 4.740 0.000 0.000 0.323 125 N C 0.461 175.959 175.510 -0.020 0.000 1.478 125 N CA -0.901 52.127 53.050 -0.037 0.000 0.753 125 N CB 0.565 39.005 38.487 -0.079 0.000 1.721 125 N HN 0.441 nan 8.380 nan 0.000 0.618 126 L N -0.341 120.855 121.223 -0.044 0.000 2.051 126 L HA -0.184 4.156 4.340 0.000 0.000 0.214 126 L C 0.563 177.377 176.870 -0.093 0.000 1.076 126 L CA 2.126 56.913 54.840 -0.088 0.000 0.758 126 L CB -0.369 41.624 42.059 -0.111 0.000 0.890 126 L HN 0.539 nan 8.230 nan 0.000 0.433 127 D N -1.211 119.139 120.400 -0.083 0.000 2.269 127 D HA -0.099 4.542 4.640 0.000 0.000 0.208 127 D C 1.984 178.240 176.300 -0.074 0.000 0.963 127 D CA 1.351 55.304 54.000 -0.078 0.000 0.864 127 D CB 0.166 40.923 40.800 -0.072 0.000 0.936 127 D HN 0.418 nan 8.370 nan 0.000 0.505 128 T N 0.493 114.999 114.554 -0.079 0.000 2.701 128 T HA -0.081 4.269 4.350 0.000 0.000 0.263 128 T C 2.352 177.013 174.700 -0.065 0.000 1.040 128 T CA 0.795 62.850 62.100 -0.075 0.000 1.147 128 T CB -0.371 68.403 68.868 -0.157 0.000 0.865 128 T HN -0.017 nan 8.240 nan 0.000 0.426 129 V N 2.446 122.330 119.914 -0.050 0.000 2.358 129 V HA -0.145 3.975 4.120 0.000 0.000 0.246 129 V C 2.529 178.579 176.094 -0.074 0.000 1.047 129 V CA 1.431 63.710 62.300 -0.034 0.000 1.035 129 V CB -0.732 31.035 31.823 -0.092 0.000 0.658 129 V HN 0.379 nan 8.190 nan 0.000 0.452 130 N N 0.406 119.043 118.700 -0.105 0.000 2.120 130 N HA -0.123 4.617 4.740 0.000 0.000 0.188 130 N C 2.031 177.508 175.510 -0.056 0.000 1.024 130 N CA 1.476 54.471 53.050 -0.091 0.000 0.852 130 N CB -0.279 38.151 38.487 -0.095 0.000 1.003 130 N HN 0.471 nan 8.380 nan 0.000 0.424 131 R N -0.107 120.355 120.500 -0.064 0.000 2.119 131 R HA 0.036 4.376 4.340 0.000 0.000 0.222 131 R C 1.924 178.181 176.300 -0.072 0.000 1.088 131 R CA 0.388 56.455 56.100 -0.054 0.000 0.984 131 R CB -0.278 29.992 30.300 -0.049 0.000 0.884 131 R HN 0.128 nan 8.270 nan 0.000 0.447 132 L N -0.520 120.620 121.223 -0.138 0.000 2.217 132 L HA -0.084 4.256 4.340 0.000 0.000 0.211 132 L C 0.983 177.680 176.870 -0.287 0.000 1.107 132 L CA 1.754 56.438 54.840 -0.259 0.000 0.783 132 L CB -0.006 41.809 42.059 -0.408 0.000 0.919 132 L HN 0.070 nan 8.230 nan 0.000 0.442 133 Y N -0.562 119.737 120.300 -0.002 0.000 2.444 133 Y HA 0.492 5.042 4.550 0.000 0.000 0.252 133 Y C 1.746 177.631 175.900 -0.025 0.000 1.091 133 Y CA -0.341 57.755 58.100 -0.007 0.000 1.276 133 Y CB 0.020 38.461 38.460 -0.032 0.000 1.170 133 Y HN 0.107 nan 8.280 nan 0.000 0.517 134 G N 1.151 110.003 108.800 0.087 0.000 2.171 134 G HA2 -0.246 3.714 3.960 0.000 0.000 0.238 134 G HA3 -0.246 3.714 3.960 0.000 0.000 0.238 134 G C -0.136 174.777 174.900 0.022 0.000 1.039 134 G CA 0.097 45.221 45.100 0.040 0.000 0.759 134 G HN 0.216 nan 8.290 nan 0.000 0.501 135 L N -0.751 120.474 121.223 0.002 0.000 2.431 135 L HA 0.556 4.896 4.340 0.000 0.000 0.260 135 L C 0.861 177.692 176.870 -0.064 0.000 1.098 135 L CA -1.009 53.798 54.840 -0.055 0.000 0.800 135 L CB 0.855 42.827 42.059 -0.145 0.000 1.210 135 L HN 0.038 nan 8.230 nan 0.000 0.465 136 N N 1.031 119.689 118.700 -0.071 0.000 2.451 136 N HA 0.296 5.036 4.740 0.000 0.000 0.271 136 N C -0.434 175.033 175.510 -0.071 0.000 1.410 136 N CA -0.150 52.864 53.050 -0.061 0.000 0.884 136 N CB 0.478 38.942 38.487 -0.037 0.000 1.332 136 N HN 0.394 nan 8.380 nan 0.000 0.498 137 L N 1.025 122.181 121.223 -0.111 0.000 2.516 137 L HA 0.013 4.353 4.340 0.000 0.000 0.288 137 L C 1.418 178.232 176.870 -0.093 0.000 1.246 137 L CA 0.544 55.315 54.840 -0.115 0.000 0.844 137 L CB 0.081 42.020 42.059 -0.200 0.000 1.106 137 L HN 0.182 nan 8.230 nan 0.000 0.509 138 T N -2.174 112.342 114.554 -0.063 0.000 2.936 138 T HA 0.200 4.551 4.350 0.000 0.000 0.282 138 T C 1.043 175.652 174.700 -0.153 0.000 1.003 138 T CA -0.620 61.435 62.100 -0.075 0.000 1.005 138 T CB 1.595 70.484 68.868 0.035 0.000 1.097 138 T HN 0.505 nan 8.240 nan 0.000 0.532 139 S N -0.006 115.514 115.700 -0.298 0.000 2.400 139 S HA -0.046 4.424 4.470 0.000 0.000 0.232 139 S C 1.381 175.795 174.600 -0.309 0.000 1.025 139 S CA 1.256 59.234 58.200 -0.369 0.000 0.993 139 S CB -0.715 62.162 63.200 -0.538 0.000 0.808 139 S HN 0.657 nan 8.310 nan 0.000 0.478 140 F N 1.415 121.347 119.950 -0.030 0.000 2.325 140 F HA 0.033 4.561 4.527 0.000 0.000 0.299 140 F C 2.457 178.242 175.800 -0.024 0.000 1.090 140 F CA 0.564 58.552 58.000 -0.020 0.000 1.392 140 F CB -0.507 38.483 39.000 -0.017 0.000 1.053 140 F HN 0.206 nan 8.300 nan 0.000 0.521 141 Q N -0.846 119.015 119.800 0.101 0.000 2.398 141 Q HA 0.004 4.344 4.340 0.000 0.000 0.204 141 Q C 2.254 178.244 176.000 -0.017 0.000 0.932 141 Q CA 0.339 56.171 55.803 0.047 0.000 0.916 141 Q CB 0.106 28.858 28.738 0.024 0.000 1.024 141 Q HN 0.284 nan 8.270 nan 0.000 0.504 142 V N 0.812 120.665 119.914 -0.102 0.000 2.649 142 V HA -0.186 3.934 4.120 0.000 0.000 0.248 142 V C 2.048 177.978 176.094 -0.273 0.000 1.054 142 V CA 1.498 63.634 62.300 -0.272 0.000 1.073 142 V CB 0.087 31.686 31.823 -0.374 0.000 0.699 142 V HN 0.358 nan 8.190 nan 0.000 0.463 143 E N -0.050 120.124 120.200 -0.044 0.000 2.085 143 E HA -0.296 4.054 4.350 0.000 0.000 0.194 143 E C 2.096 178.756 176.600 0.100 0.000 0.994 143 E CA 2.009 58.471 56.400 0.103 0.000 0.801 143 E CB -0.051 29.716 29.700 0.113 0.000 0.743 143 E HN 0.719 nan 8.360 nan 0.000 0.453 144 E N -0.435 119.802 120.200 0.062 0.000 2.072 144 E HA -0.174 4.176 4.350 0.000 0.000 0.191 144 E C 1.843 178.472 176.600 0.049 0.000 0.985 144 E CA 0.953 57.387 56.400 0.058 0.000 0.801 144 E CB -0.229 29.503 29.700 0.053 0.000 0.750 144 E HN 0.280 nan 8.360 nan 0.000 0.452 145 F N 0.714 120.587 119.950 -0.128 0.000 2.126 145 F HA -0.260 4.267 4.527 0.000 0.000 0.299 145 F C 1.694 177.455 175.800 -0.066 0.000 1.096 145 F CA 1.326 59.233 58.000 -0.156 0.000 1.255 145 F CB -0.107 38.726 39.000 -0.279 0.000 0.997 145 F HN -0.057 nan 8.300 nan 0.000 0.479 146 F N 0.677 120.687 119.950 0.101 0.000 2.051 146 F HA -0.114 4.413 4.527 0.000 0.000 0.296 146 F C 2.711 178.458 175.800 -0.088 0.000 1.122 146 F CA 1.091 59.093 58.000 0.003 0.000 1.201 146 F CB -1.746 37.293 39.000 0.066 0.000 0.978 146 F HN 0.047 nan 8.300 nan 0.000 0.472 147 A N -0.003 122.908 122.820 0.150 0.000 1.917 147 A HA -0.250 4.070 4.320 0.000 0.000 0.219 147 A C 2.353 179.919 177.584 -0.029 0.000 1.182 147 A CA 2.444 54.509 52.037 0.047 0.000 0.633 147 A CB -1.343 17.683 19.000 0.044 0.000 0.819 147 A HN 0.438 nan 8.150 nan 0.000 0.448 148 S N -0.586 115.063 115.700 -0.085 0.000 2.507 148 S HA 0.000 4.470 4.470 0.000 0.000 0.235 148 S C 1.214 175.695 174.600 -0.199 0.000 0.988 148 S CA 1.366 59.481 58.200 -0.142 0.000 0.944 148 S CB -0.499 62.596 63.200 -0.175 0.000 0.762 148 S HN 1.201 nan 8.310 nan 0.000 0.526 149 V N -3.086 116.698 119.914 -0.217 0.000 3.398 149 V HA 0.698 4.818 4.120 0.000 0.000 0.298 149 V C 0.805 176.851 176.094 -0.080 0.000 1.496 149 V CA -0.439 61.751 62.300 -0.183 0.000 1.044 149 V CB -0.802 30.852 31.823 -0.282 0.000 0.880 149 V HN 0.532 nan 8.190 nan 0.000 0.443 150 A N 0.915 123.705 122.820 -0.050 0.000 2.492 150 A HA 0.394 4.715 4.320 0.000 0.000 0.236 150 A C 0.247 177.800 177.584 -0.051 0.000 1.078 150 A CA 0.285 52.299 52.037 -0.038 0.000 0.773 150 A CB -0.026 18.958 19.000 -0.026 0.000 1.023 150 A HN 0.647 nan 8.150 nan 0.000 0.504 151 E N 0.216 120.378 120.200 -0.063 0.000 2.145 151 E HA 0.259 4.609 4.350 0.000 0.000 0.270 151 E C -0.874 175.686 176.600 -0.066 0.000 0.906 151 E CA -0.965 55.396 56.400 -0.066 0.000 0.761 151 E CB 1.435 31.085 29.700 -0.082 0.000 1.116 151 E HN 0.481 nan 8.360 nan 0.000 0.408 152 K N 2.373 122.740 120.400 -0.054 0.000 2.430 152 K HA 0.061 4.381 4.320 0.000 0.000 0.280 152 K C -1.148 175.419 176.600 -0.056 0.000 1.063 152 K CA 0.189 56.446 56.287 -0.049 0.000 1.071 152 K CB 0.185 32.662 32.500 -0.039 0.000 0.899 152 K HN 0.163 nan 8.250 nan 0.000 0.473 153 V N 5.516 125.394 119.914 -0.060 0.000 2.495 153 V HA 0.147 4.267 4.120 0.000 0.000 0.298 153 V C 1.064 177.127 176.094 -0.051 0.000 1.031 153 V CA -0.740 61.522 62.300 -0.063 0.000 0.871 153 V CB 1.580 33.355 31.823 -0.080 0.000 0.988 153 V HN 0.850 nan 8.190 nan 0.000 0.432 154 E N 2.495 122.668 120.200 -0.045 0.000 2.000 154 E HA -0.157 4.193 4.350 0.000 0.000 0.199 154 E C 0.752 177.329 176.600 -0.038 0.000 1.011 154 E CA 1.357 57.734 56.400 -0.037 0.000 0.836 154 E CB 0.203 29.884 29.700 -0.033 0.000 0.778 154 E HN 0.740 nan 8.360 nan 0.000 0.462 155 Q N 0.038 119.814 119.800 -0.040 0.000 2.365 155 Q HA 0.351 4.692 4.340 0.000 0.000 0.269 155 Q C -1.375 174.596 176.000 -0.049 0.000 1.061 155 Q CA -0.445 55.334 55.803 -0.040 0.000 0.816 155 Q CB 2.206 30.924 28.738 -0.033 0.000 1.325 155 Q HN -0.073 nan 8.270 nan 0.000 0.446 156 V N 5.184 125.067 119.914 -0.051 0.000 2.455 156 V HA 0.225 4.345 4.120 0.000 0.000 0.273 156 V C 0.596 176.658 176.094 -0.054 0.000 1.045 156 V CA 0.515 62.779 62.300 -0.060 0.000 0.976 156 V CB 0.630 32.415 31.823 -0.064 0.000 0.993 156 V HN 0.926 nan 8.190 nan 0.000 0.475 157 R N 2.564 123.029 120.500 -0.059 0.000 2.851 157 R HA 0.159 4.499 4.340 0.000 0.000 0.177 157 R C 0.736 176.999 176.300 -0.062 0.000 0.888 157 R CA 0.214 56.282 56.100 -0.053 0.000 1.326 157 R CB 0.160 30.434 30.300 -0.042 0.000 1.668 157 R HN 0.604 nan 8.270 nan 0.000 0.575 158 T N -1.478 113.036 114.554 -0.068 0.000 2.912 158 T HA 0.363 4.713 4.350 0.000 0.000 0.280 158 T C 0.730 175.381 174.700 -0.082 0.000 0.989 158 T CA -0.472 61.585 62.100 -0.072 0.000 0.995 158 T CB 1.868 70.700 68.868 -0.060 0.000 1.077 158 T HN 0.023 nan 8.240 nan 0.000 0.531 159 S N -0.453 115.203 115.700 -0.073 0.000 2.561 159 S HA 0.030 4.500 4.470 0.000 0.000 0.225 159 S C 1.654 176.240 174.600 -0.023 0.000 0.977 159 S CA 0.323 58.488 58.200 -0.059 0.000 0.926 159 S CB -0.356 62.816 63.200 -0.047 0.000 0.769 159 S HN 0.849 nan 8.310 nan 0.000 0.533 160 E N 1.165 121.343 120.200 -0.036 0.000 2.122 160 E HA -0.124 4.227 4.350 0.000 0.000 0.190 160 E C 0.914 177.358 176.600 -0.261 0.000 0.977 160 E CA 0.833 57.137 56.400 -0.160 0.000 0.820 160 E CB 0.109 29.711 29.700 -0.164 0.000 0.770 160 E HN 0.295 nan 8.360 nan 0.000 0.462 161 D N 0.433 120.730 120.400 -0.172 0.000 2.078 161 D HA -0.160 4.480 4.640 0.000 0.000 0.193 161 D C 2.104 178.302 176.300 -0.169 0.000 0.990 161 D CA 1.233 55.137 54.000 -0.160 0.000 0.827 161 D CB -0.503 40.229 40.800 -0.113 0.000 0.975 161 D HN 0.072 nan 8.370 nan 0.000 0.451 162 V N 0.809 120.629 119.914 -0.158 0.000 2.317 162 V HA -0.243 3.877 4.120 0.000 0.000 0.251 162 V C 2.542 178.499 176.094 -0.227 0.000 1.065 162 V CA 1.344 63.541 62.300 -0.171 0.000 1.049 162 V CB -0.455 31.269 31.823 -0.165 0.000 0.651 162 V HN 0.059 nan 8.190 nan 0.000 0.450 163 V N -1.115 118.634 119.914 -0.276 0.000 2.374 163 V HA -0.091 4.030 4.120 0.000 0.000 0.241 163 V C 2.300 178.251 176.094 -0.238 0.000 1.034 163 V CA 1.361 63.456 62.300 -0.341 0.000 1.037 163 V CB -0.004 31.564 31.823 -0.425 0.000 0.682 163 V HN 0.367 nan 8.190 nan 0.000 0.463 164 V N 1.112 120.859 119.914 -0.279 0.000 2.490 164 V HA -0.221 3.900 4.120 0.000 0.000 0.250 164 V C 2.763 178.759 176.094 -0.163 0.000 1.061 164 V CA 2.231 64.385 62.300 -0.243 0.000 1.064 164 V CB -0.722 30.883 31.823 -0.363 0.000 0.670 164 V HN 0.727 nan 8.190 nan 0.000 0.461 165 S N -0.394 115.207 115.700 -0.165 0.000 2.423 165 S HA -0.181 4.290 4.470 0.000 0.000 0.231 165 S C 1.861 176.391 174.600 -0.116 0.000 1.014 165 S CA 1.440 59.565 58.200 -0.125 0.000 0.965 165 S CB -0.100 63.028 63.200 -0.119 0.000 0.785 165 S HN 0.678 nan 8.310 nan 0.000 0.495 166 K N 0.393 120.700 120.400 -0.155 0.000 2.161 166 K HA 0.196 4.516 4.320 0.000 0.000 0.205 166 K C 1.990 178.467 176.600 -0.206 0.000 1.035 166 K CA 1.120 57.295 56.287 -0.188 0.000 0.970 166 K CB -0.066 32.276 32.500 -0.263 0.000 0.866 166 K HN 0.380 nan 8.250 nan 0.000 0.461 167 V N -2.053 117.735 119.914 -0.211 0.000 3.643 167 V HA 0.404 4.525 4.120 0.000 0.000 0.280 167 V C 0.565 176.711 176.094 0.087 0.000 1.351 167 V CA 0.175 62.396 62.300 -0.131 0.000 1.073 167 V CB -0.382 31.338 31.823 -0.172 0.000 0.863 167 V HN 0.440 nan 8.190 nan 0.000 0.436 168 G N 1.223 110.038 108.800 0.025 0.000 2.757 168 G HA2 -0.229 3.731 3.960 0.000 0.000 0.638 168 G HA3 -0.229 3.731 3.960 0.000 0.000 0.638 168 G C 0.117 175.079 174.900 0.103 0.000 1.344 168 G CA 0.319 45.443 45.100 0.041 0.000 0.855 168 G HN 0.624 nan 8.290 nan 0.000 0.537 169 R N -0.117 120.438 120.500 0.092 0.000 2.062 169 R HA 0.022 4.362 4.340 0.000 0.000 0.229 169 R C 2.169 178.628 176.300 0.265 0.000 1.128 169 R CA 2.413 58.602 56.100 0.148 0.000 0.960 169 R CB -0.863 29.488 30.300 0.085 0.000 0.855 169 R HN 0.616 nan 8.270 nan 0.000 0.432 170 D N -0.218 120.320 120.400 0.231 0.000 2.092 170 D HA -0.135 4.505 4.640 0.000 0.000 0.193 170 D C 1.896 178.397 176.300 0.336 0.000 0.994 170 D CA 1.497 55.659 54.000 0.269 0.000 0.828 170 D CB -0.109 40.866 40.800 0.293 0.000 0.963 170 D HN 0.257 nan 8.370 nan 0.000 0.450 171 L N -0.466 121.003 121.223 0.410 0.000 2.046 171 L HA -0.193 4.147 4.340 0.000 0.000 0.208 171 L C 2.450 179.643 176.870 0.537 0.000 1.077 171 L CA 1.387 56.531 54.840 0.508 0.000 0.747 171 L CB -0.689 41.655 42.059 0.475 0.000 0.896 171 L HN 0.225 nan 8.230 nan 0.000 0.432 172 Y N 0.899 121.393 120.300 0.324 0.000 2.224 172 Y HA -0.238 4.312 4.550 0.000 0.000 0.289 172 Y C 2.405 178.478 175.900 0.288 0.000 1.146 172 Y CA 1.580 59.885 58.100 0.341 0.000 1.182 172 Y CB -0.212 38.339 38.460 0.150 0.000 0.983 172 Y HN 0.182 nan 8.280 nan 0.000 0.524 173 N N 0.741 119.557 118.700 0.193 0.000 2.120 173 N HA -0.149 4.591 4.740 0.000 0.000 0.188 173 N C 1.572 177.055 175.510 -0.044 0.000 1.024 173 N CA 1.724 54.783 53.050 0.016 0.000 0.852 173 N CB -0.232 38.330 38.487 0.125 0.000 1.003 173 N HN 0.462 nan 8.380 nan 0.000 0.424 174 K N -1.074 119.324 120.400 -0.004 0.000 2.243 174 K HA 0.061 4.381 4.320 0.000 0.000 0.201 174 K C 1.085 177.422 176.600 -0.438 0.000 1.051 174 K CA 0.693 56.843 56.287 -0.228 0.000 0.970 174 K CB 0.101 32.421 32.500 -0.299 0.000 0.755 174 K HN 0.173 nan 8.250 nan 0.000 0.465 175 F N -1.903 118.002 119.950 -0.075 0.000 2.680 175 F HA 0.166 4.693 4.527 0.000 0.000 0.290 175 F C 1.364 176.868 175.800 -0.493 0.000 1.114 175 F CA 0.067 57.898 58.000 -0.282 0.000 1.333 175 F CB 0.453 39.265 39.000 -0.313 0.000 1.091 175 F HN -0.142 nan 8.300 nan 0.000 0.606 176 F N -0.945 119.005 119.950 0.001 0.000 2.577 176 F HA 0.255 4.783 4.527 0.000 0.000 0.276 176 F C 2.274 177.956 175.800 -0.197 0.000 1.032 176 F CA 0.029 57.987 58.000 -0.071 0.000 1.297 176 F CB -0.428 38.566 39.000 -0.010 0.000 1.061 176 F HN -0.391 nan 8.300 nan 0.000 0.680 177 R N 0.855 121.131 120.500 -0.374 0.000 2.096 177 R HA -0.106 4.234 4.340 0.000 0.000 0.229 177 R C 2.437 178.702 176.300 -0.057 0.000 1.134 177 R CA 1.988 57.861 56.100 -0.378 0.000 0.917 177 R CB -1.189 28.807 30.300 -0.507 0.000 0.832 177 R HN 0.344 nan 8.270 nan 0.000 0.430 178 G N -0.396 108.376 108.800 -0.047 0.000 2.476 178 G HA2 -0.362 3.598 3.960 0.000 0.000 0.218 178 G HA3 -0.362 3.598 3.960 0.000 0.000 0.218 178 G C 1.391 176.328 174.900 0.061 0.000 1.164 178 G CA 1.138 46.241 45.100 0.005 0.000 0.768 178 G HN 0.560 nan 8.290 nan 0.000 0.560 179 Y N 1.601 121.881 120.300 -0.033 0.000 2.181 179 Y HA -0.156 4.394 4.550 0.000 0.000 0.288 179 Y C 3.173 179.110 175.900 0.061 0.000 1.146 179 Y CA 2.232 60.329 58.100 -0.006 0.000 1.164 179 Y CB -0.190 38.241 38.460 -0.049 0.000 0.982 179 Y HN 0.217 nan 8.280 nan 0.000 0.515 180 T N 0.375 115.149 114.554 0.367 0.000 2.674 180 T HA -0.177 4.173 4.350 0.000 0.000 0.265 180 T C 1.855 176.731 174.700 0.295 0.000 1.039 180 T CA 1.699 64.051 62.100 0.420 0.000 1.150 180 T CB -0.275 68.832 68.868 0.399 0.000 0.864 180 T HN 0.300 nan 8.240 nan 0.000 0.427 181 R N 0.910 121.517 120.500 0.179 0.000 2.113 181 R HA -0.156 4.184 4.340 0.000 0.000 0.244 181 R C 2.563 178.913 176.300 0.085 0.000 1.142 181 R CA 1.884 58.061 56.100 0.128 0.000 0.953 181 R CB -0.244 30.102 30.300 0.076 0.000 0.860 181 R HN 0.372 nan 8.270 nan 0.000 0.438 182 K N 0.552 120.959 120.400 0.011 0.000 2.097 182 K HA -0.243 4.078 4.320 0.000 0.000 0.205 182 K C 2.181 178.718 176.600 -0.105 0.000 1.050 182 K CA 1.767 58.018 56.287 -0.061 0.000 0.938 182 K CB 0.045 32.468 32.500 -0.128 0.000 0.718 182 K HN 0.025 nan 8.250 nan 0.000 0.442 183 Q N -0.737 118.961 119.800 -0.171 0.000 2.096 183 Q HA -0.086 4.254 4.340 0.000 0.000 0.197 183 Q C 1.119 176.937 176.000 -0.303 0.000 0.964 183 Q CA 1.758 57.363 55.803 -0.330 0.000 0.838 183 Q CB -0.061 28.374 28.738 -0.504 0.000 0.906 183 Q HN 0.477 nan 8.270 nan 0.000 0.444 184 W N -1.801 119.512 121.300 0.022 0.000 2.808 184 W HA 0.403 5.063 4.660 0.000 0.000 0.266 184 W C 1.342 177.899 176.519 0.063 0.000 1.247 184 W CA 0.389 57.769 57.345 0.057 0.000 1.440 184 W CB 0.666 30.157 29.460 0.051 0.000 1.040 184 W HN 0.316 nan 8.180 nan 0.000 0.606 185 G N -0.110 108.839 108.800 0.249 0.000 2.234 185 G HA2 -0.262 3.698 3.960 0.000 0.000 0.235 185 G HA3 -0.262 3.698 3.960 0.000 0.000 0.235 185 G C -0.313 174.687 174.900 0.166 0.000 0.997 185 G CA 0.010 45.213 45.100 0.171 0.000 0.623 185 G HN 0.010 nan 8.290 nan 0.000 0.514 186 L N 1.244 122.596 121.223 0.215 0.000 2.325 186 L HA 0.646 4.986 4.340 0.000 0.000 0.278 186 L C 0.285 177.236 176.870 0.134 0.000 1.023 186 L CA -0.860 54.067 54.840 0.145 0.000 0.811 186 L CB 1.555 43.677 42.059 0.105 0.000 1.249 186 L HN 0.274 nan 8.230 nan 0.000 0.431 187 D N 2.989 123.451 120.400 0.102 0.000 2.423 187 D HA 0.073 4.713 4.640 0.000 0.000 0.238 187 D C -1.636 174.726 176.300 0.103 0.000 1.142 187 D CA -0.786 53.282 54.000 0.113 0.000 0.884 187 D CB 1.114 41.976 40.800 0.103 0.000 1.199 187 D HN 0.329 nan 8.370 nan 0.000 0.438 188 P HA -0.163 nan 4.420 nan 0.000 0.220 188 P C 0.909 178.248 177.300 0.065 0.000 1.144 188 P CA 1.130 64.314 63.100 0.139 0.000 0.800 188 P CB -0.004 31.893 31.700 0.328 0.000 0.772 189 S N -0.644 115.096 115.700 0.068 0.000 2.406 189 S HA -0.092 4.378 4.470 0.000 0.000 0.228 189 S C 1.393 175.989 174.600 -0.007 0.000 1.020 189 S CA 0.694 58.904 58.200 0.016 0.000 0.965 189 S CB -0.902 62.313 63.200 0.024 0.000 0.798 189 S HN 0.261 nan 8.310 nan 0.000 0.488 190 E N 1.098 121.297 120.200 -0.001 0.000 2.359 190 E HA 0.299 4.649 4.350 0.000 0.000 0.187 190 E C -0.501 176.059 176.600 -0.065 0.000 1.081 190 E CA 0.017 56.406 56.400 -0.017 0.000 0.929 190 E CB -0.141 29.565 29.700 0.009 0.000 1.086 190 E HN 0.532 nan 8.360 nan 0.000 0.462 191 L N 0.782 121.945 121.223 -0.100 0.000 2.401 191 L HA 0.279 4.619 4.340 0.000 0.000 0.266 191 L C 0.215 176.995 176.870 -0.149 0.000 0.991 191 L CA -1.023 53.705 54.840 -0.186 0.000 0.818 191 L CB 2.244 44.110 42.059 -0.322 0.000 1.321 191 L HN -0.061 nan 8.230 nan 0.000 0.413 192 D N 1.336 121.642 120.400 -0.156 0.000 2.548 192 D HA -0.038 4.602 4.640 0.000 0.000 0.231 192 D C 0.803 177.032 176.300 -0.119 0.000 1.142 192 D CA 0.546 54.477 54.000 -0.116 0.000 0.866 192 D CB 1.632 42.368 40.800 -0.108 0.000 1.190 192 D HN 0.730 nan 8.370 nan 0.000 0.469 193 A N 2.983 125.750 122.820 -0.088 0.000 2.067 193 A HA -0.169 4.152 4.320 0.000 0.000 0.219 193 A C 2.209 179.748 177.584 -0.075 0.000 1.158 193 A CA 1.673 53.659 52.037 -0.084 0.000 0.661 193 A CB -0.462 18.492 19.000 -0.077 0.000 0.801 193 A HN 0.673 nan 8.150 nan 0.000 0.452 194 S N -0.101 115.559 115.700 -0.067 0.000 2.387 194 S HA -0.183 4.287 4.470 0.000 0.000 0.230 194 S C 1.723 176.307 174.600 -0.027 0.000 1.035 194 S CA 1.482 59.655 58.200 -0.045 0.000 1.014 194 S CB -1.105 62.069 63.200 -0.042 0.000 0.836 194 S HN 0.264 nan 8.310 nan 0.000 0.466 195 V N 3.140 123.017 119.914 -0.062 0.000 2.214 195 V HA -0.214 3.906 4.120 0.000 0.000 0.247 195 V C 3.193 179.328 176.094 0.068 0.000 1.051 195 V CA 2.465 64.753 62.300 -0.021 0.000 1.003 195 V CB -1.645 30.055 31.823 -0.206 0.000 0.635 195 V HN 0.878 nan 8.190 nan 0.000 0.447 196 T N -1.356 113.218 114.554 0.033 0.000 3.035 196 T HA 0.063 4.413 4.350 0.000 0.000 0.268 196 T C 1.579 176.264 174.700 -0.025 0.000 1.109 196 T CA 0.969 63.099 62.100 0.050 0.000 1.119 196 T CB -0.291 68.544 68.868 -0.054 0.000 0.900 196 T HN 0.462 nan 8.240 nan 0.000 0.503 197 A N 1.324 124.119 122.820 -0.042 0.000 2.239 197 A HA 0.179 4.499 4.320 0.000 0.000 0.209 197 A C 2.386 179.956 177.584 -0.022 0.000 1.171 197 A CA 0.199 52.202 52.037 -0.057 0.000 0.768 197 A CB -0.570 18.395 19.000 -0.058 0.000 0.790 197 A HN 0.518 nan 8.150 nan 0.000 0.478 198 R N -0.789 119.726 120.500 0.024 0.000 2.161 198 R HA 0.049 4.389 4.340 0.000 0.000 0.213 198 R C -0.219 176.079 176.300 -0.005 0.000 1.055 198 R CA 0.626 56.752 56.100 0.043 0.000 0.996 198 R CB 0.070 30.443 30.300 0.122 0.000 0.901 198 R HN 0.320 nan 8.270 nan 0.000 0.456 199 V N 4.657 124.575 119.914 0.007 0.000 2.304 199 V HA 0.175 4.295 4.120 0.000 0.000 0.262 199 V C -1.899 174.148 176.094 -0.079 0.000 1.061 199 V CA -1.861 60.407 62.300 -0.053 0.000 0.872 199 V CB 0.392 32.275 31.823 0.099 0.000 1.077 199 V HN 0.082 nan 8.190 nan 0.000 0.480 200 P HA 0.138 nan 4.420 nan 0.000 0.269 200 P C -0.086 177.130 177.300 -0.140 0.000 1.217 200 P CA 0.123 63.141 63.100 -0.137 0.000 0.783 200 P CB 0.559 32.169 31.700 -0.150 0.000 0.898 201 T N 2.262 116.725 114.554 -0.151 0.000 2.859 201 T HA 0.503 4.853 4.350 0.000 0.000 0.281 201 T C 0.235 174.863 174.700 -0.121 0.000 1.005 201 T CA -0.647 61.345 62.100 -0.179 0.000 1.025 201 T CB 1.140 69.816 68.868 -0.320 0.000 0.977 201 T HN 0.316 nan 8.240 nan 0.000 0.458 202 R N 0.530 120.995 120.500 -0.058 0.000 2.750 202 R HA 0.513 4.853 4.340 0.000 0.000 0.281 202 R C 0.873 177.243 176.300 0.117 0.000 0.972 202 R CA -0.681 55.417 56.100 -0.003 0.000 0.912 202 R CB 1.435 31.700 30.300 -0.058 0.000 1.187 202 R HN 0.809 nan 8.270 nan 0.000 0.464 203 T N -2.855 111.748 114.554 0.081 0.000 3.022 203 T HA 0.003 4.353 4.350 0.000 0.000 0.250 203 T C 0.751 175.418 174.700 -0.056 0.000 1.060 203 T CA -0.172 61.965 62.100 0.063 0.000 1.013 203 T CB -0.241 68.657 68.868 0.049 0.000 0.982 203 T HN 0.581 nan 8.240 nan 0.000 0.508 204 N N 1.937 120.598 118.700 -0.065 0.000 2.443 204 N HA 0.238 4.978 4.740 0.000 0.000 0.294 204 N C 0.548 176.002 175.510 -0.093 0.000 1.289 204 N CA -0.907 52.083 53.050 -0.101 0.000 0.966 204 N CB 0.392 38.823 38.487 -0.094 0.000 1.122 204 N HN 0.103 nan 8.380 nan 0.000 0.569 205 R N -1.915 118.528 120.500 -0.096 0.000 2.472 205 R HA 0.184 4.525 4.340 0.000 0.000 0.279 205 R C -0.623 175.625 176.300 -0.086 0.000 0.953 205 R CA -0.482 55.565 56.100 -0.089 0.000 1.088 205 R CB -0.109 30.140 30.300 -0.086 0.000 1.197 205 R HN 0.564 nan 8.270 nan 0.000 0.536 206 D N 2.556 122.903 120.400 -0.089 0.000 2.472 206 D HA -0.072 4.569 4.640 0.000 0.000 0.248 206 D C 0.369 176.604 176.300 -0.108 0.000 1.174 206 D CA 0.472 54.416 54.000 -0.094 0.000 0.883 206 D CB 0.658 41.400 40.800 -0.096 0.000 1.149 206 D HN 0.222 nan 8.370 nan 0.000 0.488 207 N N 2.650 121.287 118.700 -0.105 0.000 2.200 207 N HA 0.022 4.762 4.740 0.000 0.000 0.224 207 N C -0.191 175.242 175.510 -0.128 0.000 1.179 207 N CA -0.392 52.588 53.050 -0.117 0.000 0.877 207 N CB 0.149 38.574 38.487 -0.102 0.000 1.072 207 N HN 0.133 nan 8.380 nan 0.000 0.519 208 R N -0.147 120.278 120.500 -0.125 0.000 2.594 208 R HA 0.127 4.467 4.340 0.000 0.000 0.272 208 R C 0.450 176.643 176.300 -0.178 0.000 1.074 208 R CA -0.468 55.558 56.100 -0.123 0.000 1.105 208 R CB 0.508 30.756 30.300 -0.087 0.000 1.008 208 R HN 0.045 nan 8.270 nan 0.000 0.472 209 Y N 1.728 121.810 120.300 -0.362 0.000 2.200 209 Y HA -0.038 4.512 4.550 0.000 0.000 0.290 209 Y C -0.034 175.405 175.900 -0.769 0.000 1.137 209 Y CA 1.427 59.148 58.100 -0.631 0.000 1.163 209 Y CB 0.298 38.237 38.460 -0.868 0.000 0.988 209 Y HN 0.380 nan 8.280 nan 0.000 0.518 210 F N -1.596 118.294 119.950 -0.099 0.000 2.458 210 F HA 0.554 5.082 4.527 0.000 0.000 0.330 210 F C 0.700 176.405 175.800 -0.158 0.000 1.082 210 F CA -0.620 57.251 58.000 -0.214 0.000 0.995 210 F CB 1.343 40.137 39.000 -0.344 0.000 1.170 210 F HN -0.177 nan 8.300 nan 0.000 0.478 211 A N 0.747 123.580 122.820 0.021 0.000 2.460 211 A HA 0.261 4.582 4.320 0.000 0.000 0.258 211 A C -0.244 177.331 177.584 -0.015 0.000 1.300 211 A CA -0.391 51.632 52.037 -0.023 0.000 0.913 211 A CB -0.961 18.004 19.000 -0.057 0.000 1.031 211 A HN 0.726 nan 8.150 nan 0.000 0.512 212 D N -0.387 120.030 120.400 0.029 0.000 2.378 212 D HA 0.203 4.843 4.640 0.000 0.000 0.238 212 D C 1.320 177.564 176.300 -0.094 0.000 1.180 212 D CA 0.723 54.724 54.000 0.001 0.000 0.895 212 D CB 0.725 41.559 40.800 0.057 0.000 1.192 212 D HN 0.125 nan 8.370 nan 0.000 0.438 213 T N 0.103 114.556 114.554 -0.169 0.000 2.770 213 T HA -0.096 4.254 4.350 0.000 0.000 0.263 213 T C 0.228 174.546 174.700 -0.638 0.000 1.039 213 T CA 1.065 62.914 62.100 -0.419 0.000 1.142 213 T CB -0.213 68.322 68.868 -0.554 0.000 0.868 213 T HN 0.324 nan 8.240 nan 0.000 0.435 214 Y N 1.829 121.959 120.300 -0.283 0.000 2.417 214 Y HA 0.512 5.062 4.550 0.000 0.000 0.336 214 Y C 0.228 175.922 175.900 -0.343 0.000 0.961 214 Y CA -0.888 56.899 58.100 -0.522 0.000 1.215 214 Y CB 0.572 38.481 38.460 -0.917 0.000 1.120 214 Y HN 0.031 nan 8.280 nan 0.000 0.499 215 Q N 2.970 122.685 119.800 -0.141 0.000 2.347 215 Q HA 0.827 5.167 4.340 0.000 0.000 0.265 215 Q C -1.142 174.928 176.000 0.116 0.000 1.024 215 Q CA -0.777 55.044 55.803 0.029 0.000 0.731 215 Q CB 2.053 30.816 28.738 0.042 0.000 1.245 215 Q HN 0.792 nan 8.270 nan 0.000 0.472 216 A N 2.754 125.744 122.820 0.283 0.000 2.605 216 A HA 0.716 5.036 4.320 0.000 0.000 0.294 216 A C -1.400 176.576 177.584 0.653 0.000 1.062 216 A CA -0.753 51.541 52.037 0.428 0.000 0.682 216 A CB 1.501 20.712 19.000 0.352 0.000 1.278 216 A HN 0.519 nan 8.150 nan 0.000 0.410 217 M N 1.272 121.203 119.600 0.553 0.000 2.367 217 M HA 0.403 4.883 4.480 0.000 0.000 0.339 217 M C -2.551 173.855 176.300 0.177 0.000 1.177 217 M CA -2.570 52.943 55.300 0.354 0.000 1.068 217 M CB 0.648 33.355 32.600 0.178 0.000 1.602 217 M HN 0.267 nan 8.290 nan 0.000 0.457 218 P HA 0.061 nan 4.420 nan 0.000 0.271 218 P C 0.867 177.921 177.300 -0.409 0.000 1.233 218 P CA -0.231 62.525 63.100 -0.573 0.000 0.764 218 P CB 0.365 31.619 31.700 -0.744 0.000 0.825 219 L N 4.634 125.598 121.223 -0.431 0.000 2.021 219 L HA -0.216 4.124 4.340 0.000 0.000 0.215 219 L C 1.255 177.837 176.870 -0.479 0.000 1.074 219 L CA 2.176 56.755 54.840 -0.434 0.000 0.760 219 L CB -0.860 40.851 42.059 -0.580 0.000 0.889 219 L HN 0.477 nan 8.230 nan 0.000 0.433 220 H N -0.381 118.590 119.070 -0.165 0.000 2.488 220 H HA 0.527 5.083 4.556 0.000 0.000 0.294 220 H C 0.888 176.139 175.328 -0.129 0.000 1.088 220 H CA 0.373 56.357 56.048 -0.106 0.000 1.086 220 H CB -0.596 29.117 29.762 -0.080 0.000 1.569 220 H HN 0.405 nan 8.280 nan 0.000 0.548 221 G N -0.007 108.705 108.800 -0.146 0.000 2.712 221 G HA2 -0.274 3.686 3.960 0.000 0.000 0.686 221 G HA3 -0.274 3.686 3.960 0.000 0.000 0.686 221 G C 0.248 175.022 174.900 -0.211 0.000 1.321 221 G CA -0.443 44.547 45.100 -0.184 0.000 0.813 221 G HN 0.292 nan 8.290 nan 0.000 0.599 222 Y N 0.473 120.737 120.300 -0.060 0.000 2.207 222 Y HA -0.143 4.407 4.550 0.000 0.000 0.287 222 Y C 3.377 179.300 175.900 0.038 0.000 1.156 222 Y CA 2.452 60.525 58.100 -0.044 0.000 1.182 222 Y CB -0.364 38.118 38.460 0.037 0.000 0.979 222 Y HN 0.647 nan 8.280 nan 0.000 0.521 223 T N -0.167 114.469 114.554 0.138 0.000 2.777 223 T HA -0.135 4.215 4.350 0.000 0.000 0.266 223 T C 1.987 176.742 174.700 0.092 0.000 1.040 223 T CA 0.970 63.145 62.100 0.124 0.000 1.141 223 T CB -0.120 68.702 68.868 -0.077 0.000 0.868 223 T HN 0.191 nan 8.240 nan 0.000 0.444 224 R N 0.725 121.238 120.500 0.022 0.000 2.091 224 R HA -0.018 4.323 4.340 0.000 0.000 0.238 224 R C 2.395 178.675 176.300 -0.033 0.000 1.136 224 R CA 1.132 57.233 56.100 0.001 0.000 0.959 224 R CB -0.820 29.484 30.300 0.007 0.000 0.856 224 R HN 0.453 nan 8.270 nan 0.000 0.437 225 M N -0.331 119.211 119.600 -0.098 0.000 2.126 225 M HA -0.203 4.278 4.480 0.000 0.000 0.259 225 M C 1.973 178.158 176.300 -0.192 0.000 1.073 225 M CA 1.941 57.120 55.300 -0.202 0.000 1.103 225 M CB -0.351 32.030 32.600 -0.364 0.000 1.284 225 M HN -0.013 nan 8.290 nan 0.000 0.420 226 F N 0.561 120.413 119.950 -0.164 0.000 2.115 226 F HA -0.339 4.188 4.527 0.000 0.000 0.300 226 F C 2.581 178.279 175.800 -0.170 0.000 1.092 226 F CA 1.904 59.777 58.000 -0.211 0.000 1.245 226 F CB -0.560 38.323 39.000 -0.196 0.000 0.995 226 F HN 0.348 nan 8.300 nan 0.000 0.481 227 Q N -0.067 119.784 119.800 0.084 0.000 2.096 227 Q HA -0.214 4.126 4.340 0.000 0.000 0.204 227 Q C 2.039 178.033 176.000 -0.010 0.000 0.982 227 Q CA 1.511 57.331 55.803 0.028 0.000 0.850 227 Q CB -0.234 28.521 28.738 0.028 0.000 0.901 227 Q HN 0.402 nan 8.270 nan 0.000 0.422 228 N N 0.435 119.124 118.700 -0.019 0.000 2.039 228 N HA -0.161 4.579 4.740 0.000 0.000 0.193 228 N C 1.693 177.180 175.510 -0.039 0.000 1.044 228 N CA 1.152 54.215 53.050 0.022 0.000 0.847 228 N CB -0.358 38.186 38.487 0.094 0.000 1.030 228 N HN 0.217 nan 8.380 nan 0.000 0.422 229 M N 0.547 119.951 119.600 -0.327 0.000 2.116 229 M HA -0.173 4.308 4.480 0.000 0.000 0.255 229 M C 0.903 177.011 176.300 -0.320 0.000 1.075 229 M CA 1.560 56.402 55.300 -0.764 0.000 1.087 229 M CB -0.061 32.054 32.600 -0.809 0.000 1.340 229 M HN 0.064 nan 8.290 nan 0.000 0.402 230 L N -0.637 120.495 121.223 -0.152 0.000 2.728 230 L HA 0.100 4.440 4.340 0.000 0.000 0.235 230 L C 1.750 178.594 176.870 -0.043 0.000 1.197 230 L CA -0.148 54.640 54.840 -0.086 0.000 0.992 230 L CB -0.338 41.685 42.059 -0.059 0.000 1.263 230 L HN 0.333 nan 8.230 nan 0.000 0.484 231 S N -2.531 113.154 115.700 -0.026 0.000 2.503 231 S HA -0.016 4.454 4.470 0.000 0.000 0.217 231 S C 1.124 175.732 174.600 0.013 0.000 0.999 231 S CA -0.158 58.043 58.200 0.001 0.000 0.914 231 S CB 0.068 63.277 63.200 0.014 0.000 0.782 231 S HN 0.344 nan 8.310 nan 0.000 0.520 232 S N 3.074 118.785 115.700 0.017 0.000 2.571 232 S HA 0.087 4.557 4.470 0.000 0.000 0.298 232 S C -1.587 173.032 174.600 0.031 0.000 1.280 232 S CA -0.626 57.590 58.200 0.028 0.000 1.052 232 S CB 0.398 63.615 63.200 0.028 0.000 0.799 232 S HN 0.184 nan 8.310 nan 0.000 0.501 233 P HA 0.017 nan 4.420 nan 0.000 0.225 233 P C 0.296 177.634 177.300 0.062 0.000 1.148 233 P CA 0.722 63.848 63.100 0.044 0.000 0.779 233 P CB 0.009 31.732 31.700 0.039 0.000 0.780 234 N N -0.665 118.075 118.700 0.068 0.000 2.314 234 N HA 0.101 4.841 4.740 0.000 0.000 0.200 234 N C 0.200 175.774 175.510 0.106 0.000 1.135 234 N CA 0.286 53.396 53.050 0.099 0.000 0.835 234 N CB 0.248 38.794 38.487 0.098 0.000 0.989 234 N HN 0.264 nan 8.380 nan 0.000 0.478 235 I N 1.304 121.914 120.570 0.066 0.000 2.355 235 I HA 0.198 4.369 4.170 0.000 0.000 0.288 235 I C -0.323 175.810 176.117 0.026 0.000 0.999 235 I CA -0.770 60.547 61.300 0.029 0.000 1.163 235 I CB 1.180 39.173 38.000 -0.011 0.000 1.316 235 I HN -0.403 nan 8.210 nan 0.000 0.454 236 K N 6.253 126.655 120.400 0.003 0.000 2.240 236 K HA 0.534 4.854 4.320 0.000 0.000 0.271 236 K C -0.673 175.871 176.600 -0.093 0.000 1.018 236 K CA -0.663 55.618 56.287 -0.011 0.000 0.874 236 K CB 2.256 34.782 32.500 0.044 0.000 1.098 236 K HN 0.252 nan 8.250 nan 0.000 0.458 237 V N 3.925 123.801 119.914 -0.063 0.000 2.472 237 V HA 0.501 4.621 4.120 0.000 0.000 0.290 237 V C -0.028 176.016 176.094 -0.083 0.000 1.037 237 V CA -0.804 61.444 62.300 -0.087 0.000 0.908 237 V CB 1.503 33.285 31.823 -0.068 0.000 0.985 237 V HN 0.744 nan 8.190 nan 0.000 0.454 238 M N 5.785 125.319 119.600 -0.109 0.000 2.183 238 M HA 0.616 5.097 4.480 0.000 0.000 0.277 238 M C -1.963 174.271 176.300 -0.109 0.000 0.995 238 M CA -0.280 54.963 55.300 -0.095 0.000 0.969 238 M CB 1.462 33.999 32.600 -0.105 0.000 1.659 238 M HN 0.535 nan 8.290 nan 0.000 0.462 239 L N 3.341 124.506 121.223 -0.096 0.000 2.286 239 L HA 0.614 4.954 4.340 0.000 0.000 0.265 239 L C 0.810 177.620 176.870 -0.100 0.000 1.012 239 L CA -0.674 54.094 54.840 -0.119 0.000 0.818 239 L CB 1.394 43.377 42.059 -0.128 0.000 1.337 239 L HN 0.931 nan 8.230 nan 0.000 0.438 240 N N -0.867 117.761 118.700 -0.120 0.000 2.800 240 N HA -0.161 4.579 4.740 0.000 0.000 0.250 240 N C -0.764 174.703 175.510 -0.071 0.000 1.078 240 N CA 1.279 54.273 53.050 -0.093 0.000 0.804 240 N CB -0.701 37.745 38.487 -0.068 0.000 1.135 240 N HN 0.805 nan 8.380 nan 0.000 0.565 241 T N 0.211 114.718 114.554 -0.078 0.000 2.824 241 T HA 0.221 4.571 4.350 0.000 0.000 0.282 241 T C -0.697 173.970 174.700 -0.056 0.000 0.993 241 T CA -0.763 61.300 62.100 -0.062 0.000 0.967 241 T CB 2.132 70.960 68.868 -0.066 0.000 0.960 241 T HN 0.104 nan 8.240 nan 0.000 0.441 242 D N 1.303 121.674 120.400 -0.049 0.000 2.255 242 D HA 0.081 4.721 4.640 0.000 0.000 0.249 242 D C 1.084 177.355 176.300 -0.049 0.000 1.078 242 D CA -0.536 53.447 54.000 -0.028 0.000 0.896 242 D CB 0.953 41.713 40.800 -0.066 0.000 1.194 242 D HN 0.729 nan 8.370 nan 0.000 0.429 243 Y N 2.996 123.245 120.300 -0.085 0.000 2.207 243 Y HA -0.142 4.409 4.550 0.000 0.000 0.287 243 Y C 1.984 177.814 175.900 -0.116 0.000 1.156 243 Y CA 0.890 58.917 58.100 -0.122 0.000 1.182 243 Y CB -0.293 38.111 38.460 -0.092 0.000 0.979 243 Y HN 0.275 nan 8.280 nan 0.000 0.521 244 R N 0.923 120.929 120.500 -0.823 0.000 2.237 244 R HA -0.083 4.257 4.340 0.000 0.000 0.219 244 R C 1.518 177.648 176.300 -0.284 0.000 1.080 244 R CA 1.308 57.031 56.100 -0.628 0.000 0.995 244 R CB -0.289 29.608 30.300 -0.672 0.000 0.875 244 R HN 0.632 nan 8.270 nan 0.000 0.462 245 E N 0.450 120.524 120.200 -0.209 0.000 2.481 245 E HA -0.066 4.284 4.350 0.000 0.000 0.195 245 E C 1.121 177.646 176.600 -0.125 0.000 1.047 245 E CA 0.740 57.083 56.400 -0.096 0.000 0.867 245 E CB 0.281 29.951 29.700 -0.051 0.000 0.858 245 E HN 0.449 nan 8.360 nan 0.000 0.513 246 I N -5.418 114.974 120.570 -0.297 0.000 4.670 246 I HA 0.358 4.528 4.170 0.000 0.000 0.339 246 I C 1.736 177.488 176.117 -0.608 0.000 1.310 246 I CA -0.158 60.746 61.300 -0.661 0.000 1.288 246 I CB 0.447 38.182 38.000 -0.442 0.000 1.427 246 I HN -0.155 nan 8.210 nan 0.000 0.494 247 A N 1.333 123.980 122.820 -0.289 0.000 1.933 247 A HA -0.142 4.178 4.320 0.000 0.000 0.218 247 A C 1.844 179.461 177.584 0.056 0.000 1.175 247 A CA 2.190 54.195 52.037 -0.054 0.000 0.628 247 A CB -0.726 18.316 19.000 0.069 0.000 0.814 247 A HN 0.444 nan 8.150 nan 0.000 0.444 248 D N -0.753 119.626 120.400 -0.036 0.000 2.218 248 D HA -0.110 4.530 4.640 0.000 0.000 0.204 248 D C 0.957 177.359 176.300 0.171 0.000 0.976 248 D CA 1.544 55.596 54.000 0.087 0.000 0.853 248 D CB -0.218 40.663 40.800 0.134 0.000 0.939 248 D HN 0.733 nan 8.370 nan 0.000 0.481 249 F N -1.537 118.480 119.950 0.112 0.000 2.815 249 F HA 0.440 4.967 4.527 0.000 0.000 0.323 249 F C -0.221 175.663 175.800 0.140 0.000 1.151 249 F CA -0.771 57.289 58.000 0.101 0.000 1.191 249 F CB -0.087 38.951 39.000 0.063 0.000 1.069 249 F HN -0.319 nan 8.300 nan 0.000 0.514 250 I N 3.159 123.755 120.570 0.043 0.000 2.418 250 I HA 0.419 4.590 4.170 0.000 0.000 0.287 250 I C -2.561 173.798 176.117 0.403 0.000 1.008 250 I CA -2.331 59.089 61.300 0.200 0.000 1.104 250 I CB 2.203 40.263 38.000 0.101 0.000 1.264 250 I HN -0.155 nan 8.210 nan 0.000 0.438 251 P HA 0.278 nan 4.420 nan 0.000 0.282 251 P C -1.236 176.316 177.300 0.420 0.000 1.262 251 P CA 0.002 63.248 63.100 0.245 0.000 0.773 251 P CB 0.150 31.921 31.700 0.118 0.000 0.879 252 F N -0.160 119.851 119.950 0.102 0.000 2.588 252 F HA 0.440 4.967 4.527 0.000 0.000 0.314 252 F C 0.856 176.681 175.800 0.042 0.000 1.134 252 F CA -0.963 57.101 58.000 0.106 0.000 0.961 252 F CB 1.133 40.197 39.000 0.107 0.000 1.239 252 F HN 0.017 nan 8.300 nan 0.000 0.448 253 Q N 1.125 120.968 119.800 0.072 0.000 2.123 253 Q HA -0.044 4.296 4.340 0.000 0.000 0.199 253 Q C -0.302 175.706 176.000 0.012 0.000 0.966 253 Q CA 1.491 57.275 55.803 -0.033 0.000 0.845 253 Q CB -0.086 28.616 28.738 -0.059 0.000 0.907 253 Q HN 0.845 nan 8.270 nan 0.000 0.439 254 H N -1.511 117.516 119.070 -0.072 0.000 2.996 254 H HA 0.480 5.036 4.556 0.000 0.000 0.368 254 H C -1.514 173.962 175.328 0.247 0.000 1.185 254 H CA -0.491 55.546 56.048 -0.020 0.000 1.160 254 H CB 1.387 30.971 29.762 -0.297 0.000 1.820 254 H HN -0.055 nan 8.280 nan 0.000 0.547 255 M N 6.065 125.535 119.600 -0.215 0.000 2.227 255 M HA 0.464 4.944 4.480 0.000 0.000 0.335 255 M C -1.486 174.703 176.300 -0.185 0.000 1.053 255 M CA -0.639 54.619 55.300 -0.070 0.000 0.973 255 M CB 0.603 33.223 32.600 0.033 0.000 1.623 255 M HN 0.556 nan 8.290 nan 0.000 0.434 256 I N 5.278 125.844 120.570 -0.007 0.000 2.336 256 I HA 0.274 4.444 4.170 0.000 0.000 0.292 256 I C -1.445 174.565 176.117 -0.180 0.000 0.991 256 I CA -0.728 60.547 61.300 -0.041 0.000 1.227 256 I CB 1.237 39.261 38.000 0.040 0.000 1.366 256 I HN 0.648 nan 8.210 nan 0.000 0.466 257 Y N 5.459 125.479 120.300 -0.466 0.000 2.331 257 Y HA 0.304 4.854 4.550 0.000 0.000 0.334 257 Y C 0.730 176.373 175.900 -0.428 0.000 0.960 257 Y CA -0.560 57.176 58.100 -0.606 0.000 1.130 257 Y CB 1.749 39.566 38.460 -1.071 0.000 1.164 257 Y HN 0.636 nan 8.280 nan 0.000 0.458 258 T N 0.954 114.986 114.554 -0.871 0.000 3.043 258 T HA 0.388 4.739 4.350 0.000 0.000 0.272 258 T C 0.778 175.114 174.700 -0.606 0.000 0.990 258 T CA 0.236 62.020 62.100 -0.527 0.000 0.897 258 T CB -0.178 68.515 68.868 -0.291 0.000 1.111 258 T HN 0.746 nan 8.240 nan 0.000 0.529 259 G N 2.363 110.439 108.800 -1.206 0.000 2.553 259 G HA2 0.555 4.515 3.960 0.000 0.000 0.278 259 G HA3 0.555 4.515 3.960 0.000 0.000 0.278 259 G C -2.806 171.974 174.900 -0.200 0.000 1.349 259 G CA -1.590 43.099 45.100 -0.684 0.000 1.037 259 G HN 0.209 nan 8.290 nan 0.000 0.508 260 P HA 0.143 nan 4.420 nan 0.000 0.271 260 P C 1.160 178.671 177.300 0.352 0.000 1.216 260 P CA -0.383 62.847 63.100 0.217 0.000 0.771 260 P CB 1.149 32.927 31.700 0.130 0.000 0.864 261 V N 1.636 121.751 119.914 0.335 0.000 2.358 261 V HA -0.213 3.907 4.120 0.000 0.000 0.246 261 V C 1.895 178.014 176.094 0.042 0.000 1.047 261 V CA 2.154 64.641 62.300 0.312 0.000 1.035 261 V CB -1.566 30.493 31.823 0.394 0.000 0.658 261 V HN 0.469 nan 8.190 nan 0.000 0.452 262 D N 2.566 122.782 120.400 -0.307 0.000 2.149 262 D HA -0.192 4.448 4.640 0.000 0.000 0.198 262 D C 2.019 177.887 176.300 -0.719 0.000 0.990 262 D CA 1.966 55.478 54.000 -0.812 0.000 0.839 262 D CB -0.572 39.766 40.800 -0.769 0.000 0.948 262 D HN 0.508 nan 8.370 nan 0.000 0.460 263 A N -0.037 122.375 122.820 -0.681 0.000 1.972 263 A HA -0.076 4.244 4.320 0.000 0.000 0.219 263 A C 2.005 179.376 177.584 -0.354 0.000 1.169 263 A CA 1.037 52.579 52.037 -0.826 0.000 0.635 263 A CB -1.216 17.688 19.000 -0.160 0.000 0.810 263 A HN 0.294 nan 8.150 nan 0.000 0.446 264 F N -1.384 118.333 119.950 -0.388 0.000 2.661 264 F HA 0.148 4.675 4.527 0.000 0.000 0.298 264 F C 0.620 176.033 175.800 -0.645 0.000 1.137 264 F CA 0.563 58.231 58.000 -0.553 0.000 1.454 264 F CB 0.079 38.535 39.000 -0.906 0.000 1.103 264 F HN 0.174 nan 8.300 nan 0.000 0.577 265 F N 0.232 120.174 119.950 -0.014 0.000 2.805 265 F HA 0.228 4.755 4.527 0.000 0.000 0.317 265 F C -0.036 175.744 175.800 -0.033 0.000 1.146 265 F CA -0.791 57.218 58.000 0.015 0.000 1.265 265 F CB -0.267 38.883 39.000 0.251 0.000 0.992 265 F HN -0.208 nan 8.300 nan 0.000 0.511 266 D N -0.143 120.236 120.400 -0.034 0.000 2.701 266 D HA -0.291 4.349 4.640 0.000 0.000 0.235 266 D C 0.151 176.606 176.300 0.257 0.000 1.155 266 D CA 1.014 55.058 54.000 0.074 0.000 0.649 266 D CB -2.005 38.857 40.800 0.103 0.000 1.050 266 D HN 0.396 nan 8.370 nan 0.000 0.425 267 F N -3.401 116.697 119.950 0.247 0.000 3.100 267 F HA -0.406 4.121 4.527 0.000 0.000 0.283 267 F C 2.431 178.389 175.800 0.264 0.000 0.900 267 F CA 0.473 58.649 58.000 0.294 0.000 1.010 267 F CB -2.528 36.577 39.000 0.175 0.000 1.029 267 F HN 0.520 nan 8.300 nan 0.000 0.637 268 C N -2.340 117.123 119.300 0.272 0.000 2.403 268 C HA -0.194 4.266 4.460 0.000 0.000 0.282 268 C C 2.020 176.831 174.990 -0.298 0.000 1.297 268 C CA 1.351 60.314 59.018 -0.091 0.000 1.785 268 C CB -1.425 26.123 27.740 -0.320 0.000 1.963 268 C HN 0.586 nan 8.230 nan 0.000 0.507 269 Y N 2.080 122.432 120.300 0.087 0.000 2.507 269 Y HA 0.495 5.045 4.550 0.000 0.000 0.254 269 Y C 1.472 177.470 175.900 0.163 0.000 1.171 269 Y CA 0.401 58.482 58.100 -0.030 0.000 1.238 269 Y CB -0.357 37.871 38.460 -0.387 0.000 1.148 269 Y HN 0.692 nan 8.280 nan 0.000 0.525 270 G N 0.840 109.902 108.800 0.437 0.000 2.612 270 G HA2 -0.154 3.807 3.960 0.000 0.000 0.686 270 G HA3 -0.154 3.807 3.960 0.000 0.000 0.686 270 G C -0.973 174.234 174.900 0.512 0.000 1.274 270 G CA -1.262 44.071 45.100 0.389 0.000 0.849 270 G HN 0.066 nan 8.290 nan 0.000 0.595 271 K N 0.067 120.694 120.400 0.379 0.000 2.322 271 K HA 0.397 4.717 4.320 0.000 0.000 0.283 271 K C 0.691 177.462 176.600 0.284 0.000 1.042 271 K CA -0.383 56.142 56.287 0.396 0.000 0.958 271 K CB 0.960 33.595 32.500 0.226 0.000 0.984 271 K HN 0.403 nan 8.250 nan 0.000 0.473 272 L N 5.410 126.767 121.223 0.223 0.000 2.462 272 L HA 0.097 4.437 4.340 0.000 0.000 0.272 272 L C -2.034 174.974 176.870 0.231 0.000 1.166 272 L CA -1.782 53.075 54.840 0.029 0.000 0.880 272 L CB 0.016 41.853 42.059 -0.369 0.000 1.142 272 L HN 0.320 nan 8.230 nan 0.000 0.473 273 P HA 0.212 nan 4.420 nan 0.000 0.280 273 P C -1.209 176.302 177.300 0.352 0.000 1.300 273 P CA -0.014 63.265 63.100 0.298 0.000 0.785 273 P CB 0.330 32.169 31.700 0.231 0.000 0.874 274 Y N 2.019 122.494 120.300 0.291 0.000 2.654 274 Y HA 0.717 5.267 4.550 0.000 0.000 0.328 274 Y C 1.041 177.067 175.900 0.212 0.000 1.174 274 Y CA -0.749 57.510 58.100 0.265 0.000 1.293 274 Y CB 1.148 39.715 38.460 0.178 0.000 1.464 274 Y HN 0.161 nan 8.280 nan 0.000 0.559 275 R N -0.163 120.568 120.500 0.384 0.000 2.673 275 R HA 0.662 5.002 4.340 0.000 0.000 0.281 275 R C -1.089 175.284 176.300 0.123 0.000 0.991 275 R CA -0.369 55.883 56.100 0.253 0.000 0.896 275 R CB 2.028 32.516 30.300 0.312 0.000 1.201 275 R HN 0.693 nan 8.270 nan 0.000 0.457 276 S N 2.543 118.275 115.700 0.053 0.000 2.806 276 S HA 0.785 5.256 4.470 0.000 0.000 0.315 276 S C -1.427 173.207 174.600 0.057 0.000 1.127 276 S CA -0.690 57.503 58.200 -0.012 0.000 0.918 276 S CB 0.779 63.909 63.200 -0.116 0.000 1.240 276 S HN 0.433 nan 8.310 nan 0.000 0.552 277 L N 1.325 122.619 121.223 0.119 0.000 2.445 277 L HA 0.577 4.917 4.340 0.000 0.000 0.262 277 L C -0.646 176.067 176.870 -0.262 0.000 0.974 277 L CA -0.541 54.224 54.840 -0.126 0.000 0.822 277 L CB 2.120 43.943 42.059 -0.393 0.000 1.339 277 L HN 0.652 nan 8.230 nan 0.000 0.409 278 E N 1.640 121.672 120.200 -0.280 0.000 2.191 278 E HA 0.547 4.897 4.350 0.000 0.000 0.274 278 E C -1.779 174.614 176.600 -0.344 0.000 0.948 278 E CA -0.620 55.641 56.400 -0.232 0.000 0.802 278 E CB 1.456 31.124 29.700 -0.053 0.000 1.137 278 E HN 0.365 nan 8.360 nan 0.000 0.397 279 F N 2.797 122.840 119.950 0.154 0.000 2.427 279 F HA 0.447 4.974 4.527 0.000 0.000 0.348 279 F C 0.288 176.096 175.800 0.014 0.000 1.125 279 F CA -0.924 57.112 58.000 0.061 0.000 0.989 279 F CB 1.482 40.465 39.000 -0.028 0.000 1.165 279 F HN 0.199 nan 8.300 nan 0.000 0.442 280 R N 3.255 123.894 120.500 0.232 0.000 2.215 280 R HA 0.310 4.650 4.340 0.000 0.000 0.336 280 R C -0.566 175.796 176.300 0.104 0.000 0.996 280 R CA -0.637 55.565 56.100 0.171 0.000 0.847 280 R CB 0.610 31.026 30.300 0.193 0.000 1.127 280 R HN 0.616 nan 8.270 nan 0.000 0.465 281 H N 2.120 121.312 119.070 0.203 0.000 2.481 281 H HA 0.305 4.861 4.556 0.000 0.000 0.339 281 H C -0.240 175.151 175.328 0.106 0.000 1.131 281 H CA -0.084 56.060 56.048 0.159 0.000 1.301 281 H CB 1.689 31.512 29.762 0.101 0.000 1.476 281 H HN 0.508 nan 8.280 nan 0.000 0.529 282 E N 0.783 121.103 120.200 0.200 0.000 2.343 282 E HA 0.260 4.610 4.350 0.000 0.000 0.278 282 E C -1.091 175.472 176.600 -0.061 0.000 0.910 282 E CA -0.723 55.687 56.400 0.017 0.000 0.757 282 E CB 2.319 32.024 29.700 0.008 0.000 1.218 282 E HN 0.429 nan 8.360 nan 0.000 0.435 283 T N 1.865 116.314 114.554 -0.175 0.000 2.779 283 T HA 0.410 4.760 4.350 0.000 0.000 0.280 283 T C -0.978 173.561 174.700 -0.268 0.000 0.987 283 T CA -0.650 61.366 62.100 -0.140 0.000 0.966 283 T CB 0.487 69.301 68.868 -0.089 0.000 0.933 283 T HN 0.319 nan 8.240 nan 0.000 0.442 284 H N 0.765 119.842 119.070 0.012 0.000 2.529 284 H HA 0.369 4.925 4.556 0.000 0.000 0.348 284 H C -0.224 175.107 175.328 0.005 0.000 1.152 284 H CA -0.793 55.266 56.048 0.018 0.000 1.202 284 H CB 1.036 30.815 29.762 0.028 0.000 1.562 284 H HN 0.433 nan 8.280 nan 0.000 0.515 285 D N 1.506 121.989 120.400 0.139 0.000 2.688 285 D HA 0.113 4.754 4.640 0.000 0.000 0.228 285 D C -0.674 175.683 176.300 0.095 0.000 1.116 285 D CA 0.258 54.313 54.000 0.092 0.000 1.023 285 D CB -0.257 40.597 40.800 0.089 0.000 1.100 285 D HN 0.464 nan 8.370 nan 0.000 0.487 286 T N -0.183 114.423 114.554 0.087 0.000 2.885 286 T HA 0.144 4.494 4.350 0.000 0.000 0.322 286 T C 0.762 175.497 174.700 0.058 0.000 1.387 286 T CA -0.539 61.602 62.100 0.068 0.000 1.041 286 T CB 1.369 70.270 68.868 0.054 0.000 1.287 286 T HN 0.072 nan 8.240 nan 0.000 0.491 287 E N 0.754 120.984 120.200 0.050 0.000 2.153 287 E HA -0.048 4.303 4.350 0.000 0.000 0.194 287 E C 0.529 177.140 176.600 0.018 0.000 0.988 287 E CA 0.773 57.198 56.400 0.041 0.000 0.811 287 E CB 0.268 29.990 29.700 0.036 0.000 0.746 287 E HN 0.455 nan 8.360 nan 0.000 0.466 288 Q N 0.054 119.867 119.800 0.022 0.000 2.280 288 Q HA 0.148 4.488 4.340 0.000 0.000 0.259 288 Q C -0.589 175.431 176.000 0.034 0.000 0.964 288 Q CA -0.214 55.604 55.803 0.025 0.000 0.844 288 Q CB 1.539 30.287 28.738 0.018 0.000 1.334 288 Q HN 0.084 nan 8.270 nan 0.000 0.423 289 L N 3.907 125.152 121.223 0.036 0.000 2.408 289 L HA 0.420 4.760 4.340 0.000 0.000 0.215 289 L C -0.631 176.236 176.870 -0.005 0.000 1.081 289 L CA 0.840 55.665 54.840 -0.024 0.000 0.840 289 L CB 0.707 42.713 42.059 -0.089 0.000 1.002 289 L HN 0.582 nan 8.230 nan 0.000 0.468 290 L N -0.368 120.888 121.223 0.056 0.000 2.323 290 L HA 0.425 4.765 4.340 0.000 0.000 0.265 290 L C -1.687 175.201 176.870 0.030 0.000 1.012 290 L CA -1.582 53.259 54.840 0.001 0.000 0.820 290 L CB 1.674 43.677 42.059 -0.092 0.000 1.334 290 L HN -0.248 nan 8.230 nan 0.000 0.427 291 P HA 0.040 nan 4.420 nan 0.000 0.234 291 P C 0.172 177.391 177.300 -0.134 0.000 1.175 291 P CA 0.591 63.672 63.100 -0.031 0.000 0.801 291 P CB 0.439 32.118 31.700 -0.035 0.000 0.891 292 T N -5.045 109.310 114.554 -0.330 0.000 2.693 292 T HA 0.560 4.910 4.350 0.000 0.000 0.278 292 T C 1.461 175.693 174.700 -0.780 0.000 0.994 292 T CA -0.099 61.704 62.100 -0.495 0.000 1.033 292 T CB 0.679 69.373 68.868 -0.290 0.000 1.342 292 T HN -0.108 nan 8.240 nan 0.000 0.538 293 G N 0.010 108.524 108.800 -0.477 0.000 2.432 293 G HA2 0.279 4.239 3.960 0.000 0.000 0.219 293 G HA3 0.279 4.239 3.960 0.000 0.000 0.219 293 G C 0.259 175.103 174.900 -0.094 0.000 1.135 293 G CA 0.734 45.742 45.100 -0.153 0.000 0.767 293 G HN 0.861 nan 8.290 nan 0.000 0.550 294 T N -0.670 113.785 114.554 -0.166 0.000 3.032 294 T HA 0.472 4.823 4.350 0.000 0.000 0.312 294 T C -1.201 173.381 174.700 -0.196 0.000 1.078 294 T CA -0.473 61.544 62.100 -0.138 0.000 1.028 294 T CB 2.768 71.624 68.868 -0.020 0.000 1.091 294 T HN -0.080 nan 8.240 nan 0.000 0.457 295 V N 3.916 123.723 119.914 -0.178 0.000 2.384 295 V HA 0.468 4.588 4.120 0.000 0.000 0.287 295 V C -0.280 175.666 176.094 -0.247 0.000 1.020 295 V CA -1.051 61.100 62.300 -0.248 0.000 0.850 295 V CB 1.626 33.285 31.823 -0.274 0.000 0.987 295 V HN 0.743 nan 8.190 nan 0.000 0.436 296 N N 2.996 121.546 118.700 -0.249 0.000 2.518 296 N HA 0.414 5.154 4.740 0.000 0.000 0.283 296 N C -1.084 174.278 175.510 -0.246 0.000 1.119 296 N CA -0.162 52.847 53.050 -0.068 0.000 0.983 296 N CB 0.945 39.414 38.487 -0.030 0.000 1.139 296 N HN 0.579 nan 8.380 nan 0.000 0.465 297 Y N 1.636 122.066 120.300 0.218 0.000 2.712 297 Y HA 0.304 4.854 4.550 0.000 0.000 0.328 297 Y C -1.487 174.498 175.900 0.142 0.000 0.995 297 Y CA -1.664 56.530 58.100 0.157 0.000 1.283 297 Y CB 1.701 40.273 38.460 0.187 0.000 1.092 297 Y HN 0.525 nan 8.280 nan 0.000 0.519 298 P HA -0.005 nan 4.420 nan 0.000 0.224 298 P C 0.403 177.738 177.300 0.059 0.000 1.157 298 P CA 1.224 64.444 63.100 0.200 0.000 0.799 298 P CB 0.623 32.334 31.700 0.018 0.000 0.809 299 N N -1.230 117.487 118.700 0.028 0.000 2.143 299 N HA 0.107 4.847 4.740 0.000 0.000 0.222 299 N C -0.252 175.214 175.510 -0.074 0.000 1.264 299 N CA 0.243 53.270 53.050 -0.038 0.000 0.897 299 N CB 1.148 39.588 38.487 -0.078 0.000 1.092 299 N HN 0.207 nan 8.380 nan 0.000 0.516 300 D N -0.297 120.067 120.400 -0.060 0.000 2.610 300 D HA 0.343 4.984 4.640 0.000 0.000 0.271 300 D C -0.585 175.529 176.300 -0.311 0.000 1.174 300 D CA -0.292 53.536 54.000 -0.286 0.000 0.949 300 D CB 1.725 42.228 40.800 -0.494 0.000 1.430 300 D HN -0.200 nan 8.370 nan 0.000 0.467 301 Y N -0.816 119.274 120.300 -0.350 0.000 2.503 301 Y HA -0.224 4.326 4.550 0.000 0.000 0.022 301 Y C 1.042 176.632 175.900 -0.516 0.000 1.698 301 Y CA 0.086 57.801 58.100 -0.641 0.000 1.422 301 Y CB -1.116 36.505 38.460 -1.398 0.000 2.067 301 Y HN 0.557 nan 8.280 nan 0.000 0.253 302 A N 0.573 123.198 122.820 -0.325 0.000 1.935 302 A HA 0.098 4.418 4.320 0.000 0.000 0.214 302 A C 0.393 177.860 177.584 -0.195 0.000 1.178 302 A CA 1.345 53.320 52.037 -0.103 0.000 0.640 302 A CB -0.637 18.489 19.000 0.210 0.000 0.825 302 A HN 0.681 nan 8.150 nan 0.000 0.447 303 Y N -0.973 119.143 120.300 -0.307 0.000 2.314 303 Y HA 0.450 5.000 4.550 0.000 0.000 0.334 303 Y C 1.519 177.302 175.900 -0.194 0.000 1.266 303 Y CA -0.187 57.601 58.100 -0.520 0.000 1.391 303 Y CB -0.071 37.894 38.460 -0.825 0.000 1.306 303 Y HN 0.054 nan 8.280 nan 0.000 0.558 304 T N -1.549 113.002 114.554 -0.005 0.000 3.010 304 T HA 0.339 4.690 4.350 0.000 0.000 0.252 304 T C 0.454 175.285 174.700 0.218 0.000 1.047 304 T CA 0.030 62.099 62.100 -0.052 0.000 1.140 304 T CB 0.044 68.693 68.868 -0.365 0.000 0.885 304 T HN 0.634 nan 8.240 nan 0.000 0.464 305 R N 0.351 120.971 120.500 0.199 0.000 2.725 305 R HA 0.690 5.031 4.340 0.000 0.000 0.277 305 R C -1.876 174.430 176.300 0.011 0.000 0.987 305 R CA -0.824 55.371 56.100 0.159 0.000 0.901 305 R CB 2.877 33.232 30.300 0.091 0.000 1.207 305 R HN 0.061 nan 8.270 nan 0.000 0.463 306 V N 1.118 120.995 119.914 -0.062 0.000 2.448 306 V HA 0.508 4.628 4.120 0.000 0.000 0.295 306 V C -0.306 175.614 176.094 -0.291 0.000 1.025 306 V CA -0.740 61.334 62.300 -0.376 0.000 0.859 306 V CB 1.745 33.323 31.823 -0.408 0.000 0.988 306 V HN 0.718 nan 8.190 nan 0.000 0.431 307 S N 2.847 118.324 115.700 -0.372 0.000 2.513 307 S HA 0.536 5.007 4.470 0.000 0.000 0.299 307 S C -0.598 173.727 174.600 -0.458 0.000 1.087 307 S CA -0.666 57.315 58.200 -0.366 0.000 1.012 307 S CB 1.950 64.912 63.200 -0.396 0.000 1.044 307 S HN 0.878 nan 8.310 nan 0.000 0.485 308 E N 1.907 121.927 120.200 -0.300 0.000 2.114 308 E HA 0.338 4.689 4.350 0.000 0.000 0.266 308 E C -0.315 176.209 176.600 -0.127 0.000 0.896 308 E CA -0.440 55.865 56.400 -0.158 0.000 0.750 308 E CB 0.430 30.190 29.700 0.100 0.000 1.121 308 E HN 0.596 nan 8.360 nan 0.000 0.413 309 F N 3.341 123.277 119.950 -0.024 0.000 2.134 309 F HA -0.137 4.390 4.527 0.000 0.000 0.299 309 F C 2.037 177.771 175.800 -0.109 0.000 1.097 309 F CA 0.969 58.901 58.000 -0.112 0.000 1.264 309 F CB 0.013 38.878 39.000 -0.224 0.000 1.001 309 F HN 0.471 nan 8.300 nan 0.000 0.479 310 K N -0.528 119.914 120.400 0.070 0.000 2.293 310 K HA -0.224 4.096 4.320 0.000 0.000 0.204 310 K C 1.726 178.269 176.600 -0.096 0.000 1.045 310 K CA 1.243 57.506 56.287 -0.039 0.000 0.933 310 K CB -0.376 32.079 32.500 -0.076 0.000 0.736 310 K HN 0.435 nan 8.250 nan 0.000 0.463 311 H N -0.137 118.913 119.070 -0.033 0.000 2.428 311 H HA -0.019 4.538 4.556 0.000 0.000 0.296 311 H C 2.055 177.226 175.328 -0.262 0.000 1.062 311 H CA 1.223 57.256 56.048 -0.025 0.000 1.350 311 H CB 0.165 29.967 29.762 0.067 0.000 1.403 311 H HN 0.186 nan 8.280 nan 0.000 0.533 312 I N 0.261 120.704 120.570 -0.211 0.000 2.494 312 I HA -0.154 4.017 4.170 0.000 0.000 0.250 312 I C 2.629 178.477 176.117 -0.449 0.000 1.112 312 I CA 1.327 62.259 61.300 -0.613 0.000 1.438 312 I CB -0.017 37.923 38.000 -0.101 0.000 1.111 312 I HN 0.221 nan 8.210 nan 0.000 0.431 313 T N -2.047 112.393 114.554 -0.190 0.000 3.043 313 T HA 0.139 4.489 4.350 0.000 0.000 0.263 313 T C 1.714 176.355 174.700 -0.098 0.000 1.094 313 T CA 0.682 62.706 62.100 -0.127 0.000 1.127 313 T CB 0.129 68.924 68.868 -0.122 0.000 0.905 313 T HN 0.501 nan 8.240 nan 0.000 0.490 314 G N 1.017 109.758 108.800 -0.099 0.000 2.162 314 G HA2 -0.309 3.652 3.960 0.000 0.000 0.260 314 G HA3 -0.309 3.652 3.960 0.000 0.000 0.260 314 G C -0.097 174.792 174.900 -0.018 0.000 0.976 314 G CA 0.324 45.397 45.100 -0.044 0.000 0.655 314 G HN 0.883 nan 8.290 nan 0.000 0.533 315 Q N 0.131 119.919 119.800 -0.020 0.000 2.315 315 Q HA 0.282 4.622 4.340 0.000 0.000 0.289 315 Q C 0.730 176.757 176.000 0.046 0.000 1.044 315 Q CA -0.129 55.690 55.803 0.027 0.000 0.920 315 Q CB 0.322 29.077 28.738 0.029 0.000 1.214 315 Q HN 0.521 nan 8.270 nan 0.000 0.392 316 R N 3.408 123.954 120.500 0.077 0.000 2.265 316 R HA 0.253 4.593 4.340 0.000 0.000 0.319 316 R C -1.281 175.111 176.300 0.153 0.000 1.006 316 R CA -0.286 55.863 56.100 0.083 0.000 0.880 316 R CB 0.704 31.036 30.300 0.054 0.000 1.077 316 R HN 0.691 nan 8.270 nan 0.000 0.454 317 H N 2.912 122.002 119.070 0.033 0.000 3.064 317 H HA 0.060 4.617 4.556 0.000 0.000 0.352 317 H C 0.206 175.566 175.328 0.053 0.000 1.260 317 H CA -0.473 55.607 56.048 0.052 0.000 1.160 317 H CB 1.255 31.017 29.762 -0.000 0.000 1.879 317 H HN 0.919 nan 8.280 nan 0.000 0.544 318 H N 1.628 120.642 119.070 -0.093 0.000 2.495 318 H HA 0.031 4.587 4.556 0.000 0.000 0.287 318 H C -0.012 175.413 175.328 0.161 0.000 1.033 318 H CA 0.381 56.441 56.048 0.020 0.000 1.307 318 H CB 0.868 30.595 29.762 -0.058 0.000 1.401 318 H HN 0.556 nan 8.280 nan 0.000 0.555 319 Q N 0.447 120.215 119.800 -0.053 0.000 2.990 319 Q HA 0.556 4.896 4.340 0.000 0.000 0.255 319 Q C -0.750 175.251 176.000 0.002 0.000 1.040 319 Q CA -1.086 54.700 55.803 -0.029 0.000 0.897 319 Q CB 1.741 30.388 28.738 -0.150 0.000 1.429 319 Q HN 0.072 nan 8.270 nan 0.000 0.497 320 T N -0.179 114.358 114.554 -0.029 0.000 3.041 320 T HA 0.429 4.779 4.350 0.000 0.000 0.321 320 T C -1.532 173.176 174.700 0.012 0.000 1.184 320 T CA -0.383 61.703 62.100 -0.022 0.000 1.050 320 T CB 1.751 70.641 68.868 0.037 0.000 1.159 320 T HN 0.512 nan 8.240 nan 0.000 0.469 321 S N 2.102 117.806 115.700 0.008 0.000 2.501 321 S HA 0.855 5.325 4.470 0.000 0.000 0.301 321 S C -0.244 174.457 174.600 0.168 0.000 1.096 321 S CA -0.643 57.607 58.200 0.083 0.000 1.063 321 S CB 1.470 64.696 63.200 0.043 0.000 1.042 321 S HN 0.985 nan 8.310 nan 0.000 0.494 322 V N 0.061 120.069 119.914 0.158 0.000 3.160 322 V HA 0.957 5.077 4.120 0.000 0.000 0.310 322 V C -1.018 175.082 176.094 0.011 0.000 1.181 322 V CA -0.798 61.501 62.300 -0.003 0.000 1.047 322 V CB 1.797 33.569 31.823 -0.085 0.000 1.068 322 V HN 0.645 nan 8.190 nan 0.000 0.441 323 V N 2.498 122.271 119.914 -0.236 0.000 2.569 323 V HA 0.638 4.758 4.120 0.000 0.000 0.301 323 V C -1.582 174.307 176.094 -0.341 0.000 1.044 323 V CA -0.363 61.811 62.300 -0.210 0.000 0.874 323 V CB 1.692 33.430 31.823 -0.142 0.000 1.002 323 V HN 0.893 nan 8.190 nan 0.000 0.424 324 Y N 4.089 124.296 120.300 -0.154 0.000 2.313 324 Y HA 0.531 5.081 4.550 0.000 0.000 0.332 324 Y C 0.717 176.572 175.900 -0.074 0.000 1.071 324 Y CA -0.177 57.766 58.100 -0.262 0.000 1.169 324 Y CB 1.274 39.466 38.460 -0.446 0.000 1.192 324 Y HN 0.580 nan 8.280 nan 0.000 0.487 325 E N 3.197 123.389 120.200 -0.012 0.000 2.113 325 E HA 0.257 4.607 4.350 0.000 0.000 0.273 325 E C -1.578 174.961 176.600 -0.101 0.000 0.924 325 E CA -0.675 55.738 56.400 0.022 0.000 0.764 325 E CB 1.000 30.750 29.700 0.084 0.000 1.104 325 E HN 0.503 nan 8.360 nan 0.000 0.406 326 Y N 2.947 123.225 120.300 -0.037 0.000 2.330 326 Y HA 0.281 4.832 4.550 0.000 0.000 0.336 326 Y C -2.093 173.760 175.900 -0.079 0.000 1.036 326 Y CA -2.745 55.350 58.100 -0.008 0.000 1.125 326 Y CB 0.982 39.446 38.460 0.006 0.000 1.194 326 Y HN 0.409 nan 8.280 nan 0.000 0.469 327 P HA 0.241 nan 4.420 nan 0.000 0.271 327 P C -0.641 176.684 177.300 0.041 0.000 1.218 327 P CA -0.270 62.837 63.100 0.011 0.000 0.780 327 P CB 0.780 32.461 31.700 -0.031 0.000 0.901 328 R N 1.412 121.928 120.500 0.026 0.000 2.651 328 R HA 0.544 4.884 4.340 0.000 0.000 0.278 328 R C 0.642 176.967 176.300 0.041 0.000 1.010 328 R CA -0.915 55.202 56.100 0.027 0.000 0.896 328 R CB 1.602 31.905 30.300 0.007 0.000 1.211 328 R HN 0.414 nan 8.270 nan 0.000 0.456 329 A N 1.440 124.287 122.820 0.046 0.000 1.930 329 A HA 0.015 4.336 4.320 0.000 0.000 0.215 329 A C 0.164 177.782 177.584 0.056 0.000 1.176 329 A CA 1.199 53.275 52.037 0.067 0.000 0.632 329 A CB 0.109 19.148 19.000 0.065 0.000 0.819 329 A HN 0.563 nan 8.150 nan 0.000 0.445 330 E N -2.200 118.016 120.200 0.026 0.000 2.212 330 E HA 0.590 4.940 4.350 0.000 0.000 0.268 330 E C 0.086 176.670 176.600 -0.027 0.000 0.902 330 E CA 0.542 56.946 56.400 0.006 0.000 0.779 330 E CB 1.926 31.629 29.700 0.005 0.000 1.172 330 E HN 0.603 nan 8.360 nan 0.000 0.409 331 G N 1.927 110.689 108.800 -0.063 0.000 2.350 331 G HA2 0.009 3.969 3.960 0.000 0.000 0.276 331 G HA3 0.009 3.969 3.960 0.000 0.000 0.276 331 G C -1.436 173.329 174.900 -0.225 0.000 1.313 331 G CA -1.060 43.974 45.100 -0.110 0.000 0.903 331 G HN 0.448 nan 8.290 nan 0.000 0.490 332 D N 2.675 122.877 120.400 -0.330 0.000 2.493 332 D HA 0.356 4.996 4.640 0.000 0.000 0.240 332 D C -1.794 173.984 176.300 -0.871 0.000 1.142 332 D CA -0.125 53.557 54.000 -0.529 0.000 0.872 332 D CB 0.992 41.501 40.800 -0.485 0.000 1.173 332 D HN 0.199 nan 8.370 nan 0.000 0.467 333 P HA 0.000 nan 4.420 nan 0.000 0.270 333 P C -0.401 176.655 177.300 -0.406 0.000 1.242 333 P CA 0.463 63.190 63.100 -0.621 0.000 0.768 333 P CB 0.275 31.311 31.700 -1.107 0.000 0.820 334 Y N 1.767 122.035 120.300 -0.054 0.000 2.886 334 Y HA 0.177 4.727 4.550 0.000 0.000 0.244 334 Y C 0.697 176.503 175.900 -0.158 0.000 1.017 334 Y CA -0.308 57.662 58.100 -0.217 0.000 1.389 334 Y CB 0.251 38.364 38.460 -0.578 0.000 1.477 334 Y HN 0.138 nan 8.280 nan 0.000 0.466 335 Y N 2.250 122.705 120.300 0.257 0.000 2.342 335 Y HA 0.361 4.911 4.550 0.000 0.000 0.338 335 Y C -2.615 173.415 175.900 0.217 0.000 0.965 335 Y CA -3.121 55.045 58.100 0.111 0.000 1.159 335 Y CB 0.633 39.005 38.460 -0.147 0.000 1.157 335 Y HN -0.149 nan 8.280 nan 0.000 0.486 336 P HA 0.003 nan 4.420 nan 0.000 0.271 336 P C -0.549 176.744 177.300 -0.012 0.000 1.216 336 P CA -0.134 62.729 63.100 -0.395 0.000 0.771 336 P CB 0.857 31.936 31.700 -1.034 0.000 0.864 337 V N 6.774 126.731 119.914 0.072 0.000 2.427 337 V HA 0.176 4.296 4.120 0.000 0.000 0.268 337 V C -1.936 174.130 176.094 -0.047 0.000 1.046 337 V CA -1.305 61.045 62.300 0.083 0.000 0.970 337 V CB 0.637 32.569 31.823 0.181 0.000 1.001 337 V HN 0.506 nan 8.190 nan 0.000 0.476 338 P HA 0.471 nan 4.420 nan 0.000 0.262 338 P C -0.468 176.769 177.300 -0.105 0.000 1.620 338 P CA -0.162 62.855 63.100 -0.139 0.000 1.089 338 P CB 0.269 31.851 31.700 -0.196 0.000 1.601 339 R N 3.784 124.272 120.500 -0.020 0.000 2.673 339 R HA 0.360 4.700 4.340 0.000 0.000 0.281 339 R C -1.893 174.424 176.300 0.028 0.000 0.991 339 R CA -2.058 54.037 56.100 -0.008 0.000 0.896 339 R CB 1.410 31.714 30.300 0.006 0.000 1.201 339 R HN 0.066 nan 8.270 nan 0.000 0.457 340 P HA -0.306 nan 4.420 nan 0.000 0.217 340 P C 0.895 178.222 177.300 0.045 0.000 1.162 340 P CA 1.507 64.623 63.100 0.026 0.000 0.901 340 P CB 0.234 31.942 31.700 0.013 0.000 0.793 341 E N -1.307 118.919 120.200 0.044 0.000 2.409 341 E HA -0.159 4.191 4.350 0.000 0.000 0.198 341 E C 1.302 177.947 176.600 0.075 0.000 1.024 341 E CA 1.008 57.438 56.400 0.049 0.000 0.861 341 E CB -1.059 28.667 29.700 0.044 0.000 0.788 341 E HN 0.300 nan 8.360 nan 0.000 0.521 342 N N 1.266 120.028 118.700 0.104 0.000 2.251 342 N HA 0.048 4.788 4.740 0.000 0.000 0.181 342 N C 1.850 177.485 175.510 0.209 0.000 1.019 342 N CA 1.425 54.571 53.050 0.160 0.000 0.862 342 N CB -0.186 38.432 38.487 0.218 0.000 0.992 342 N HN 0.307 nan 8.380 nan 0.000 0.429 343 A N 1.567 124.500 122.820 0.188 0.000 1.883 343 A HA -0.180 4.141 4.320 0.000 0.000 0.217 343 A C 2.101 179.780 177.584 0.158 0.000 1.186 343 A CA 1.451 53.616 52.037 0.213 0.000 0.624 343 A CB -0.640 18.443 19.000 0.138 0.000 0.822 343 A HN 0.317 nan 8.150 nan 0.000 0.444 344 E N -0.944 119.305 120.200 0.081 0.000 2.049 344 E HA -0.241 4.109 4.350 0.000 0.000 0.198 344 E C 1.974 178.565 176.600 -0.016 0.000 1.007 344 E CA 1.520 57.929 56.400 0.016 0.000 0.809 344 E CB -0.266 29.435 29.700 0.003 0.000 0.749 344 E HN 0.517 nan 8.360 nan 0.000 0.450 345 L N 0.380 121.620 121.223 0.029 0.000 2.046 345 L HA -0.210 4.130 4.340 0.000 0.000 0.208 345 L C 2.238 179.153 176.870 0.074 0.000 1.077 345 L CA 1.782 56.632 54.840 0.016 0.000 0.747 345 L CB -0.737 41.380 42.059 0.096 0.000 0.896 345 L HN 0.211 nan 8.230 nan 0.000 0.432 346 Y N 0.421 120.741 120.300 0.033 0.000 2.200 346 Y HA -0.210 4.340 4.550 0.000 0.000 0.290 346 Y C 2.479 178.420 175.900 0.069 0.000 1.137 346 Y CA 1.968 60.123 58.100 0.091 0.000 1.163 346 Y CB -0.363 38.167 38.460 0.118 0.000 0.988 346 Y HN 0.184 nan 8.280 nan 0.000 0.518 347 K N 0.360 120.597 120.400 -0.271 0.000 2.127 347 K HA -0.242 4.078 4.320 0.000 0.000 0.208 347 K C 2.138 178.502 176.600 -0.394 0.000 1.047 347 K CA 1.983 58.049 56.287 -0.367 0.000 0.927 347 K CB -0.112 32.285 32.500 -0.172 0.000 0.716 347 K HN 0.362 nan 8.250 nan 0.000 0.450 348 K N -0.436 119.715 120.400 -0.415 0.000 2.026 348 K HA -0.167 4.154 4.320 0.000 0.000 0.208 348 K C 2.103 178.348 176.600 -0.592 0.000 1.048 348 K CA 1.656 57.557 56.287 -0.643 0.000 0.929 348 K CB -0.208 31.643 32.500 -1.081 0.000 0.713 348 K HN 0.237 nan 8.250 nan 0.000 0.439 349 Y N 1.187 121.278 120.300 -0.349 0.000 2.293 349 Y HA -0.184 4.366 4.550 0.000 0.000 0.291 349 Y C 2.521 178.279 175.900 -0.236 0.000 1.137 349 Y CA 1.133 59.150 58.100 -0.137 0.000 1.202 349 Y CB 0.018 38.555 38.460 0.128 0.000 0.990 349 Y HN 0.240 nan 8.280 nan 0.000 0.537 350 E N 0.441 120.449 120.200 -0.320 0.000 2.077 350 E HA -0.230 4.120 4.350 0.000 0.000 0.193 350 E C 2.336 178.790 176.600 -0.242 0.000 0.989 350 E CA 0.984 57.172 56.400 -0.353 0.000 0.800 350 E CB -0.162 29.179 29.700 -0.598 0.000 0.746 350 E HN 0.416 nan 8.360 nan 0.000 0.452 351 A N 1.389 124.059 122.820 -0.251 0.000 1.908 351 A HA -0.172 4.148 4.320 0.000 0.000 0.218 351 A C 2.237 179.706 177.584 -0.191 0.000 1.181 351 A CA 1.365 53.286 52.037 -0.193 0.000 0.627 351 A CB -0.725 18.159 19.000 -0.194 0.000 0.818 351 A HN 0.330 nan 8.150 nan 0.000 0.445 352 L N -0.997 120.058 121.223 -0.280 0.000 2.046 352 L HA -0.206 4.135 4.340 0.000 0.000 0.208 352 L C 3.064 179.804 176.870 -0.216 0.000 1.077 352 L CA 1.232 55.827 54.840 -0.408 0.000 0.747 352 L CB -0.736 40.709 42.059 -1.024 0.000 0.896 352 L HN 0.453 nan 8.230 nan 0.000 0.432 353 A N -0.307 122.397 122.820 -0.194 0.000 1.897 353 A HA -0.183 4.137 4.320 0.000 0.000 0.215 353 A C 1.920 179.374 177.584 -0.217 0.000 1.181 353 A CA 1.519 53.325 52.037 -0.384 0.000 0.620 353 A CB -0.431 17.959 19.000 -1.016 0.000 0.821 353 A HN 0.322 nan 8.150 nan 0.000 0.443 354 D N 0.068 120.388 120.400 -0.134 0.000 2.221 354 D HA -0.063 4.577 4.640 0.000 0.000 0.204 354 D C 1.891 178.206 176.300 0.024 0.000 0.982 354 D CA 1.451 55.432 54.000 -0.032 0.000 0.857 354 D CB -0.085 40.691 40.800 -0.039 0.000 0.934 354 D HN 0.471 nan 8.370 nan 0.000 0.475 355 A N 0.354 123.184 122.820 0.018 0.000 2.115 355 A HA 0.409 4.729 4.320 0.000 0.000 0.211 355 A C 1.311 178.968 177.584 0.121 0.000 1.169 355 A CA 0.423 52.490 52.037 0.051 0.000 0.787 355 A CB 0.003 19.009 19.000 0.011 0.000 0.858 355 A HN 0.138 nan 8.150 nan 0.000 0.474 356 A N 0.470 123.408 122.820 0.197 0.000 2.553 356 A HA 0.211 4.531 4.320 0.000 0.000 0.258 356 A C 1.082 178.821 177.584 0.258 0.000 1.069 356 A CA 0.498 52.724 52.037 0.315 0.000 0.767 356 A CB 0.000 19.330 19.000 0.550 0.000 0.997 356 A HN 0.469 nan 8.150 nan 0.000 0.512 357 Q N 1.584 121.505 119.800 0.202 0.000 1.927 357 Q HA -0.150 4.190 4.340 0.000 0.000 0.210 357 Q C 0.482 176.597 176.000 0.191 0.000 1.001 357 Q CA 2.508 58.409 55.803 0.163 0.000 0.862 357 Q CB 0.074 28.884 28.738 0.120 0.000 0.934 357 Q HN 0.820 nan 8.270 nan 0.000 0.420 358 D N -0.313 120.185 120.400 0.163 0.000 2.738 358 D HA 0.176 4.817 4.640 0.000 0.000 0.246 358 D C -1.055 175.162 176.300 -0.139 0.000 1.270 358 D CA 0.055 54.140 54.000 0.141 0.000 0.833 358 D CB 0.632 41.499 40.800 0.111 0.000 1.040 358 D HN -0.041 nan 8.370 nan 0.000 0.487 359 V N 0.553 120.478 119.914 0.018 0.000 2.588 359 V HA 0.299 4.419 4.120 0.000 0.000 0.304 359 V C 0.277 176.429 176.094 0.097 0.000 1.042 359 V CA -0.618 61.603 62.300 -0.131 0.000 0.877 359 V CB 2.299 34.052 31.823 -0.116 0.000 0.996 359 V HN -0.049 nan 8.190 nan 0.000 0.425 360 T N 5.114 119.689 114.554 0.034 0.000 2.771 360 T HA 0.638 4.989 4.350 0.000 0.000 0.281 360 T C -0.728 173.994 174.700 0.037 0.000 0.982 360 T CA -0.053 62.183 62.100 0.227 0.000 0.978 360 T CB 0.479 69.540 68.868 0.322 0.000 0.930 360 T HN 0.296 nan 8.240 nan 0.000 0.447 361 F N 2.837 122.829 119.950 0.070 0.000 2.385 361 F HA 0.631 5.159 4.527 0.000 0.000 0.360 361 F C 0.231 176.084 175.800 0.089 0.000 1.122 361 F CA -0.960 57.086 58.000 0.077 0.000 1.090 361 F CB 1.325 40.384 39.000 0.098 0.000 1.150 361 F HN 0.259 nan 8.300 nan 0.000 0.472 362 V N 3.033 123.047 119.914 0.167 0.000 2.932 362 V HA 0.964 5.085 4.120 0.000 0.000 0.307 362 V C -0.501 175.629 176.094 0.059 0.000 1.147 362 V CA 0.271 62.633 62.300 0.102 0.000 0.951 362 V CB 1.396 33.250 31.823 0.051 0.000 1.031 362 V HN 1.211 nan 8.190 nan 0.000 0.426 363 G N 5.827 114.664 108.800 0.061 0.000 2.371 363 G HA2 -0.019 3.941 3.960 0.000 0.000 0.663 363 G HA3 -0.019 3.941 3.960 0.000 0.000 0.663 363 G C 0.136 175.193 174.900 0.262 0.000 1.311 363 G CA 0.141 45.298 45.100 0.094 0.000 0.985 363 G HN 1.637 nan 8.290 nan 0.000 0.566 364 R N -0.417 120.275 120.500 0.320 0.000 2.083 364 R HA 0.018 4.358 4.340 0.000 0.000 0.237 364 R C 2.143 178.648 176.300 0.342 0.000 1.137 364 R CA 2.033 58.376 56.100 0.405 0.000 0.951 364 R CB -0.394 30.134 30.300 0.379 0.000 0.851 364 R HN 0.439 nan 8.270 nan 0.000 0.434 365 L N 0.221 121.600 121.223 0.260 0.000 2.477 365 L HA 0.236 4.576 4.340 0.000 0.000 0.220 365 L C 2.452 179.499 176.870 0.296 0.000 1.106 365 L CA 0.462 55.468 54.840 0.277 0.000 0.851 365 L CB -0.062 42.057 42.059 0.100 0.000 0.994 365 L HN 0.315 nan 8.230 nan 0.000 0.462 366 A N -0.141 122.832 122.820 0.255 0.000 2.132 366 A HA -0.026 4.295 4.320 0.000 0.000 0.213 366 A C 1.878 179.713 177.584 0.417 0.000 1.154 366 A CA 1.438 53.680 52.037 0.342 0.000 0.753 366 A CB -0.330 18.820 19.000 0.250 0.000 0.826 366 A HN 0.413 nan 8.150 nan 0.000 0.469 367 T N -7.420 107.336 114.554 0.337 0.000 3.144 367 T HA 0.185 4.535 4.350 0.000 0.000 0.290 367 T C 0.222 174.869 174.700 -0.088 0.000 0.966 367 T CA 0.148 62.416 62.100 0.281 0.000 0.907 367 T CB -0.498 68.581 68.868 0.353 0.000 1.152 367 T HN 0.711 nan 8.240 nan 0.000 0.532 368 Y N 1.784 121.999 120.300 -0.141 0.000 3.001 368 Y HA -0.257 4.293 4.550 0.000 0.000 0.199 368 Y C -0.037 175.687 175.900 -0.293 0.000 1.320 368 Y CA 0.396 58.329 58.100 -0.278 0.000 0.974 368 Y CB -1.515 36.607 38.460 -0.563 0.000 1.291 368 Y HN 0.598 nan 8.280 nan 0.000 0.465 369 R N 1.419 121.786 120.500 -0.223 0.000 2.740 369 R HA 0.475 4.815 4.340 0.000 0.000 0.273 369 R C -1.728 174.413 176.300 -0.265 0.000 0.998 369 R CA -0.994 54.887 56.100 -0.365 0.000 0.900 369 R CB 1.065 31.060 30.300 -0.508 0.000 1.223 369 R HN 0.140 nan 8.270 nan 0.000 0.466 370 Y N 3.171 123.240 120.300 -0.386 0.000 2.404 370 Y HA 0.353 4.903 4.550 0.000 0.000 0.344 370 Y C -1.613 174.117 175.900 -0.285 0.000 0.970 370 Y CA -0.704 57.294 58.100 -0.170 0.000 1.180 370 Y CB 0.235 38.714 38.460 0.032 0.000 1.138 370 Y HN 0.422 nan 8.280 nan 0.000 0.510 371 Y N 3.812 124.023 120.300 -0.147 0.000 2.420 371 Y HA 0.364 4.914 4.550 0.000 0.000 0.334 371 Y C 0.528 176.169 175.900 -0.432 0.000 1.094 371 Y CA -0.983 56.958 58.100 -0.265 0.000 1.126 371 Y CB 0.964 39.380 38.460 -0.072 0.000 1.217 371 Y HN 0.538 nan 8.280 nan 0.000 0.462 372 N N 1.653 120.217 118.700 -0.227 0.000 2.381 372 N HA 0.141 4.882 4.740 0.000 0.000 0.254 372 N C 0.965 176.380 175.510 -0.159 0.000 1.264 372 N CA -0.045 52.869 53.050 -0.227 0.000 0.942 372 N CB 0.600 38.907 38.487 -0.301 0.000 1.190 372 N HN 0.761 nan 8.380 nan 0.000 0.495 373 M N 0.405 119.883 119.600 -0.203 0.000 2.073 373 M HA -0.225 4.255 4.480 0.000 0.000 0.258 373 M C 1.640 177.738 176.300 -0.337 0.000 1.070 373 M CA 1.677 56.807 55.300 -0.282 0.000 1.103 373 M CB -0.444 32.016 32.600 -0.234 0.000 1.321 373 M HN 0.590 nan 8.290 nan 0.000 0.405 374 D N 0.175 120.353 120.400 -0.370 0.000 2.133 374 D HA -0.243 4.397 4.640 0.000 0.000 0.195 374 D C 1.690 177.904 176.300 -0.145 0.000 0.997 374 D CA 1.717 55.589 54.000 -0.213 0.000 0.840 374 D CB -0.700 39.862 40.800 -0.396 0.000 0.947 374 D HN 0.533 nan 8.370 nan 0.000 0.452 375 Q N 0.269 119.976 119.800 -0.156 0.000 2.061 375 Q HA -0.096 4.244 4.340 0.000 0.000 0.204 375 Q C 2.719 178.624 176.000 -0.160 0.000 0.984 375 Q CA 1.559 57.306 55.803 -0.093 0.000 0.846 375 Q CB -0.063 28.692 28.738 0.028 0.000 0.902 375 Q HN 0.234 nan 8.270 nan 0.000 0.421 376 V N 0.265 120.093 119.914 -0.145 0.000 2.343 376 V HA -0.231 3.889 4.120 0.000 0.000 0.247 376 V C 2.239 178.286 176.094 -0.078 0.000 1.051 376 V CA 1.407 63.622 62.300 -0.143 0.000 1.036 376 V CB -0.544 31.287 31.823 0.013 0.000 0.654 376 V HN 0.191 nan 8.190 nan 0.000 0.451 377 V N 0.351 120.226 119.914 -0.064 0.000 2.295 377 V HA -0.267 3.853 4.120 0.000 0.000 0.246 377 V C 2.754 178.818 176.094 -0.050 0.000 1.049 377 V CA 2.030 64.325 62.300 -0.007 0.000 1.024 377 V CB -1.185 30.658 31.823 0.034 0.000 0.648 377 V HN 0.559 nan 8.190 nan 0.000 0.447 378 A N -1.037 121.748 122.820 -0.058 0.000 1.873 378 A HA -0.354 3.967 4.320 0.000 0.000 0.218 378 A C 2.214 179.755 177.584 -0.073 0.000 1.193 378 A CA 2.392 54.393 52.037 -0.060 0.000 0.629 378 A CB -0.652 18.319 19.000 -0.049 0.000 0.826 378 A HN 0.595 nan 8.150 nan 0.000 0.447 379 Q N -1.078 118.657 119.800 -0.108 0.000 2.061 379 Q HA -0.179 4.161 4.340 0.000 0.000 0.204 379 Q C 2.416 178.380 176.000 -0.060 0.000 0.984 379 Q CA 1.642 57.378 55.803 -0.112 0.000 0.846 379 Q CB -0.354 28.250 28.738 -0.224 0.000 0.902 379 Q HN 0.695 nan 8.270 nan 0.000 0.421 380 A N 0.419 123.206 122.820 -0.054 0.000 1.933 380 A HA -0.162 4.158 4.320 0.000 0.000 0.218 380 A C 2.010 179.584 177.584 -0.017 0.000 1.175 380 A CA 1.026 53.048 52.037 -0.025 0.000 0.628 380 A CB -0.636 18.355 19.000 -0.016 0.000 0.814 380 A HN 0.349 nan 8.150 nan 0.000 0.444 381 L N -0.843 120.341 121.223 -0.066 0.000 2.017 381 L HA -0.216 4.124 4.340 0.000 0.000 0.208 381 L C 3.123 180.011 176.870 0.031 0.000 1.073 381 L CA 1.169 55.974 54.840 -0.057 0.000 0.745 381 L CB -0.583 41.386 42.059 -0.150 0.000 0.894 381 L HN 0.446 nan 8.230 nan 0.000 0.432 382 A N -0.592 122.229 122.820 0.001 0.000 1.933 382 A HA -0.196 4.125 4.320 0.000 0.000 0.218 382 A C 2.343 179.943 177.584 0.026 0.000 1.175 382 A CA 2.287 54.329 52.037 0.008 0.000 0.628 382 A CB -0.881 18.117 19.000 -0.002 0.000 0.814 382 A HN 0.386 nan 8.150 nan 0.000 0.444 383 T N -0.758 113.821 114.554 0.043 0.000 2.788 383 T HA -0.120 4.231 4.350 0.000 0.000 0.268 383 T C 1.576 176.333 174.700 0.096 0.000 1.044 383 T CA 1.511 63.649 62.100 0.064 0.000 1.139 383 T CB -0.367 68.542 68.868 0.069 0.000 0.867 383 T HN 0.494 nan 8.240 nan 0.000 0.454 384 F N 2.279 122.198 119.950 -0.052 0.000 2.134 384 F HA -0.014 4.513 4.527 0.000 0.000 0.299 384 F C 2.283 178.063 175.800 -0.034 0.000 1.097 384 F CA 1.060 59.024 58.000 -0.060 0.000 1.264 384 F CB -0.297 38.653 39.000 -0.084 0.000 1.001 384 F HN -0.052 nan 8.300 nan 0.000 0.479 385 R N -0.033 120.356 120.500 -0.185 0.000 2.073 385 R HA -0.120 4.220 4.340 0.000 0.000 0.234 385 R C 2.460 178.641 176.300 -0.198 0.000 1.134 385 R CA 1.595 57.534 56.100 -0.269 0.000 0.952 385 R CB -0.366 29.864 30.300 -0.116 0.000 0.850 385 R HN 0.248 nan 8.270 nan 0.000 0.433 386 R N 0.338 120.781 120.500 -0.094 0.000 2.103 386 R HA -0.171 4.169 4.340 0.000 0.000 0.234 386 R C 2.150 178.408 176.300 -0.069 0.000 1.132 386 R CA 1.452 57.520 56.100 -0.054 0.000 0.925 386 R CB -0.711 29.588 30.300 -0.001 0.000 0.842 386 R HN 0.089 nan 8.270 nan 0.000 0.430 387 L N 1.175 122.365 121.223 -0.055 0.000 2.211 387 L HA -0.225 4.115 4.340 0.000 0.000 0.216 387 L C 1.109 177.925 176.870 -0.090 0.000 1.092 387 L CA 1.744 56.562 54.840 -0.038 0.000 0.767 387 L CB -0.801 41.283 42.059 0.041 0.000 0.894 387 L HN 0.293 nan 8.230 nan 0.000 0.437 388 Q N 0.000 119.679 119.800 -0.201 0.000 2.315 388 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 388 Q CA 0.000 55.677 55.803 -0.210 0.000 1.022 388 Q CB 0.000 28.495 28.738 -0.405 0.000 1.108 388 Q HN 0.000 nan 8.270 nan 0.000 0.481