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 1aen_1_A DATA FIRST_RESID 4 DATA SEQUENCE LVHVASVEKG RSYEDFQKVY NAIALKLRED DEYDNYIGYG PVLVRLAWHI DATA SEQUENCE SGTWDKHDNT GGSYGGTYRF KKEFNDPSNA GLQNGFKFLE PIHKEFPWIS DATA SEQUENCE SGDLFSLGGV TAVQEMQGPK IPWRCGRVDT PEDTTPDNGR LPDADKDAGY DATA SEQUENCE VRTFFQRLNM NDREVVALMG AHALGKTHLK NSGYEGPGGA ANNVFTNEFY DATA SEQUENCE LNLLNEDWKL EKNDANNEQW DSKSGYMMLP TDYSLIQDPK YLSIVKEYAN DATA SEQUENCE DQDKFFKDFS KAFEKLLEDG ITFPKDAPSP FIFKTLEEQG L 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.667 176.870 -0.338 0.000 1.165 4 L CA 0.000 54.695 54.840 -0.241 0.000 0.813 4 L CB 0.000 41.874 42.059 -0.308 0.000 0.961 5 V N 1.093 120.772 119.914 -0.392 0.000 2.581 5 V HA 0.396 nan 4.120 nan 0.000 0.303 5 V C -1.393 174.327 176.094 -0.625 0.000 1.041 5 V CA -1.132 60.935 62.300 -0.387 0.000 0.907 5 V CB 1.993 33.688 31.823 -0.214 0.000 0.994 5 V HN 0.078 8.076 8.190 -0.319 0.000 0.442 6 H N 4.389 123.243 119.070 -0.360 0.000 2.860 6 H HA 0.286 nan 4.556 nan 0.000 0.312 6 H C -1.328 173.633 175.328 -0.611 0.000 0.995 6 H CA -1.017 54.599 56.048 -0.720 0.000 1.311 6 H CB 1.155 30.098 29.762 -1.366 0.000 1.478 6 H HN 0.455 8.505 8.280 -0.383 0.000 0.508 7 V N 3.591 123.376 119.914 -0.215 0.000 2.465 7 V HA 0.280 nan 4.120 nan 0.000 0.279 7 V C -0.735 175.357 176.094 -0.003 0.000 1.045 7 V CA -1.201 61.018 62.300 -0.135 0.000 0.938 7 V CB 0.279 32.064 31.823 -0.063 0.000 0.986 7 V HN 0.507 8.627 8.190 -0.116 0.000 0.467 8 A N 7.657 130.389 122.820 -0.148 0.000 2.492 8 A HA -0.021 nan 4.320 nan 0.000 0.254 8 A C -1.339 176.278 177.584 0.056 0.000 1.091 8 A CA 0.462 52.472 52.037 -0.045 0.000 0.768 8 A CB 0.433 19.274 19.000 -0.265 0.000 1.028 8 A HN 0.558 8.502 8.150 -0.344 0.000 0.498 9 S N 4.345 120.106 115.700 0.101 0.000 2.601 9 S HA 0.065 nan 4.470 nan 0.000 0.312 9 S C -0.509 174.164 174.600 0.121 0.000 1.107 9 S CA -1.112 57.148 58.200 0.099 0.000 1.129 9 S CB 0.765 64.024 63.200 0.098 0.000 0.982 9 S HN -0.153 8.226 8.310 0.114 0.000 0.469 10 V N 6.879 126.877 119.914 0.140 0.000 2.681 10 V HA -0.192 nan 4.120 nan 0.000 0.306 10 V C 0.334 176.559 176.094 0.218 0.000 1.077 10 V CA 0.678 63.102 62.300 0.207 0.000 1.224 10 V CB 0.168 32.118 31.823 0.212 0.000 0.879 10 V HN 0.219 8.482 8.190 0.121 0.000 0.494 11 E N 6.086 126.474 120.200 0.314 0.000 2.493 11 E HA -0.167 nan 4.350 nan 0.000 0.255 11 E C -0.387 176.300 176.600 0.144 0.000 0.999 11 E CA 0.589 57.151 56.400 0.271 0.000 0.934 11 E CB 0.460 30.427 29.700 0.445 0.000 0.940 11 E HN 0.293 8.910 8.360 0.428 0.000 0.473 12 K N 6.829 127.285 120.400 0.093 0.000 2.405 12 K HA -0.355 nan 4.320 nan 0.000 0.276 12 K C 0.351 176.931 176.600 -0.033 0.000 1.099 12 K CA 1.751 58.061 56.287 0.038 0.000 1.120 12 K CB -0.387 32.136 32.500 0.037 0.000 0.877 12 K HN 0.604 8.920 8.250 0.111 0.000 0.472 13 G N 3.225 112.011 108.800 -0.024 0.000 2.175 13 G HA2 -0.286 nan 3.960 nan 0.000 0.244 13 G HA3 -0.286 nan 3.960 nan 0.000 0.244 13 G C -0.130 174.695 174.900 -0.125 0.000 0.982 13 G CA -0.237 44.822 45.100 -0.068 0.000 0.641 13 G HN 0.220 8.523 8.290 0.022 0.000 0.527 14 R N 0.712 121.132 120.500 -0.132 0.000 2.404 14 R HA 0.279 nan 4.340 nan 0.000 0.291 14 R C -0.603 175.707 176.300 0.017 0.000 1.025 14 R CA -1.268 54.684 56.100 -0.246 0.000 0.991 14 R CB 0.775 30.782 30.300 -0.487 0.000 1.053 14 R HN -0.288 7.894 8.270 -0.054 0.055 0.479 15 S N 3.848 119.528 115.700 -0.033 0.000 2.806 15 S HA 0.461 nan 4.470 nan 0.000 0.315 15 S C 0.094 174.770 174.600 0.126 0.000 1.127 15 S CA -1.670 56.619 58.200 0.148 0.000 0.918 15 S CB 2.311 65.561 63.200 0.082 0.000 1.240 15 S HN 0.257 8.787 8.310 -0.191 -0.334 0.552 16 Y N 2.277 122.507 120.300 -0.116 0.000 2.030 16 Y HA -0.488 nan 4.550 nan 0.000 0.272 16 Y C 1.267 177.103 175.900 -0.106 0.000 1.185 16 Y CA 3.552 61.384 58.100 -0.446 0.000 1.120 16 Y CB -0.156 38.075 38.460 -0.381 0.000 0.955 16 Y HN 0.560 8.959 8.280 0.198 0.000 0.495 17 E N -3.147 116.774 120.200 -0.465 0.000 2.160 17 E HA -0.409 nan 4.350 nan 0.000 0.195 17 E C 2.547 178.969 176.600 -0.295 0.000 0.991 17 E CA 3.149 59.283 56.400 -0.445 0.000 0.810 17 E CB -0.873 28.702 29.700 -0.209 0.000 0.742 17 E HN 0.164 8.431 8.360 -0.155 0.000 0.466 18 D N -0.625 119.623 120.400 -0.254 0.000 2.097 18 D HA -0.228 nan 4.640 nan 0.000 0.197 18 D C 2.219 178.406 176.300 -0.189 0.000 0.984 18 D CA 3.394 57.243 54.000 -0.251 0.000 0.826 18 D CB -0.160 40.301 40.800 -0.566 0.000 0.973 18 D HN -0.225 7.893 8.370 -0.234 0.111 0.460 19 F N -0.477 119.471 119.950 -0.003 0.000 2.146 19 F HA -0.252 nan 4.527 nan 0.000 0.298 19 F C 2.081 177.587 175.800 -0.490 0.000 1.096 19 F CA 3.027 60.984 58.000 -0.071 0.000 1.275 19 F CB -0.419 38.737 39.000 0.259 0.000 1.008 19 F HN -0.859 7.376 8.300 -0.108 0.000 0.480 20 Q N -1.649 117.951 119.800 -0.333 0.000 2.308 20 Q HA -0.373 nan 4.340 nan 0.000 0.209 20 Q C 2.069 177.869 176.000 -0.333 0.000 0.985 20 Q CA 3.111 58.624 55.803 -0.483 0.000 0.881 20 Q CB -0.654 27.765 28.738 -0.533 0.000 0.917 20 Q HN 0.289 8.414 8.270 -0.241 0.000 0.443 21 K N -1.398 118.835 120.400 -0.278 0.000 2.116 21 K HA -0.177 nan 4.320 nan 0.000 0.203 21 K C 2.115 178.453 176.600 -0.436 0.000 1.052 21 K CA 3.068 59.231 56.287 -0.207 0.000 0.952 21 K CB -0.161 32.315 32.500 -0.039 0.000 0.729 21 K HN -0.563 7.396 8.250 -0.265 0.132 0.446 22 V N 1.090 120.566 119.914 -0.731 0.000 2.358 22 V HA -0.323 nan 4.120 nan 0.000 0.246 22 V C 1.624 177.431 176.094 -0.478 0.000 1.047 22 V CA 3.953 65.691 62.300 -0.937 0.000 1.035 22 V CB -0.952 30.366 31.823 -0.842 0.000 0.658 22 V HN -0.480 7.276 8.190 -0.574 0.090 0.452 23 Y N -0.143 119.804 120.300 -0.588 0.000 2.070 23 Y HA -0.593 nan 4.550 nan 0.000 0.280 23 Y C 1.347 177.067 175.900 -0.301 0.000 1.148 23 Y CA 3.291 61.087 58.100 -0.507 0.000 1.125 23 Y CB -0.220 37.788 38.460 -0.752 0.000 0.975 23 Y HN 0.282 8.297 8.280 -0.442 0.000 0.492 24 N N -0.952 117.840 118.700 0.154 0.000 2.132 24 N HA -0.575 nan 4.740 nan 0.000 0.191 24 N C 2.072 177.578 175.510 -0.007 0.000 1.015 24 N CA 3.108 56.215 53.050 0.095 0.000 0.864 24 N CB -0.201 38.308 38.487 0.035 0.000 1.006 24 N HN -0.191 8.236 8.380 0.078 0.000 0.430 25 A N -0.134 122.653 122.820 -0.055 0.000 1.898 25 A HA -0.199 nan 4.320 nan 0.000 0.216 25 A C 2.056 179.580 177.584 -0.099 0.000 1.181 25 A CA 2.853 54.872 52.037 -0.030 0.000 0.620 25 A CB -0.526 18.529 19.000 0.091 0.000 0.819 25 A HN -0.256 7.755 8.150 -0.107 0.075 0.442 26 I N -0.897 119.578 120.570 -0.157 0.000 2.179 26 I HA -0.597 nan 4.170 nan 0.000 0.242 26 I C 1.737 177.805 176.117 -0.081 0.000 1.088 26 I CA 4.250 65.477 61.300 -0.123 0.000 1.357 26 I CB -0.249 37.644 38.000 -0.180 0.000 1.051 26 I HN -0.041 8.047 8.210 -0.203 0.000 0.409 27 A N -0.186 122.531 122.820 -0.172 0.000 1.933 27 A HA -0.263 nan 4.320 nan 0.000 0.218 27 A C 2.079 179.657 177.584 -0.011 0.000 1.175 27 A CA 3.314 55.286 52.037 -0.109 0.000 0.628 27 A CB -0.690 18.244 19.000 -0.110 0.000 0.814 27 A HN 0.248 8.247 8.150 -0.252 0.000 0.444 28 L N -2.263 118.952 121.223 -0.013 0.000 2.093 28 L HA -0.263 nan 4.340 nan 0.000 0.208 28 L C 2.113 178.978 176.870 -0.009 0.000 1.085 28 L CA 2.257 57.096 54.840 -0.001 0.000 0.755 28 L CB -1.168 40.885 42.059 -0.010 0.000 0.904 28 L HN -0.127 8.086 8.230 -0.030 0.000 0.435 29 K N -0.071 120.298 120.400 -0.051 0.000 2.217 29 K HA -0.229 nan 4.320 nan 0.000 0.202 29 K C 2.516 179.190 176.600 0.123 0.000 1.051 29 K CA 3.101 59.329 56.287 -0.099 0.000 0.952 29 K CB -0.216 32.030 32.500 -0.424 0.000 0.736 29 K HN -0.628 7.576 8.250 -0.076 0.000 0.453 30 L N -1.402 119.957 121.223 0.228 0.000 2.056 30 L HA -0.364 nan 4.340 nan 0.000 0.207 30 L C 1.895 178.859 176.870 0.157 0.000 1.078 30 L CA 2.940 57.928 54.840 0.247 0.000 0.749 30 L CB -0.327 41.806 42.059 0.124 0.000 0.901 30 L HN -0.072 8.163 8.230 0.158 0.089 0.433 31 R N -2.525 118.036 120.500 0.102 0.000 2.091 31 R HA -0.320 nan 4.340 nan 0.000 0.238 31 R C 2.145 178.499 176.300 0.089 0.000 1.136 31 R CA 2.736 58.886 56.100 0.084 0.000 0.959 31 R CB 0.078 30.415 30.300 0.061 0.000 0.856 31 R HN -0.417 7.903 8.270 0.082 0.000 0.437 32 E N -1.789 118.458 120.200 0.079 0.000 2.051 32 E HA -0.166 nan 4.350 nan 0.000 0.189 32 E C 2.068 178.725 176.600 0.095 0.000 0.979 32 E CA 2.299 58.738 56.400 0.066 0.000 0.803 32 E CB 0.228 29.942 29.700 0.024 0.000 0.761 32 E HN -0.619 7.682 8.360 0.071 0.101 0.451 33 D N 0.823 121.313 120.400 0.151 0.000 3.038 33 D HA 0.180 nan 4.640 nan 0.000 0.243 33 D C -0.208 176.218 176.300 0.209 0.000 1.245 33 D CA -0.582 53.546 54.000 0.213 0.000 0.871 33 D CB -1.752 39.254 40.800 0.343 0.000 1.089 33 D HN -0.154 8.317 8.370 0.170 0.000 0.464 34 D N -1.623 118.845 120.400 0.113 0.000 2.392 34 D HA -0.256 nan 4.640 nan 0.000 0.228 34 D C -0.008 176.198 176.300 -0.156 0.000 1.003 34 D CA 2.191 56.228 54.000 0.062 0.000 0.917 34 D CB -0.408 40.459 40.800 0.112 0.000 0.890 34 D HN -0.380 7.950 8.370 0.107 0.104 0.532 35 E N -2.027 117.987 120.200 -0.309 0.000 2.318 35 E HA -0.252 nan 4.350 nan 0.000 0.193 35 E C -0.069 176.208 176.600 -0.538 0.000 0.998 35 E CA -0.182 55.693 56.400 -0.874 0.000 0.859 35 E CB -1.002 28.378 29.700 -0.534 0.000 0.812 35 E HN -0.126 8.085 8.360 -0.107 0.085 0.492 36 Y N 4.317 124.403 120.300 -0.356 0.000 2.811 36 Y HA -0.354 nan 4.550 nan 0.000 0.334 36 Y C -1.176 174.540 175.900 -0.307 0.000 1.247 36 Y CA 1.970 59.846 58.100 -0.372 0.000 1.526 36 Y CB 0.375 38.396 38.460 -0.732 0.000 1.284 36 Y HN -0.909 7.356 8.280 -0.024 0.000 0.586 37 D N 6.626 126.498 120.400 -0.879 0.000 2.812 37 D HA -0.469 nan 4.640 nan 0.000 0.237 37 D C -0.979 175.168 176.300 -0.254 0.000 1.162 37 D CA 1.083 54.690 54.000 -0.654 0.000 0.740 37 D CB -0.828 39.476 40.800 -0.827 0.000 1.000 37 D HN 0.440 8.260 8.370 -0.916 0.000 0.416 38 N N -2.226 116.392 118.700 -0.138 0.000 2.714 38 N HA -0.427 nan 4.740 nan 0.000 0.252 38 N C -0.950 174.675 175.510 0.193 0.000 1.014 38 N CA 1.370 54.458 53.050 0.063 0.000 0.735 38 N CB -1.093 37.428 38.487 0.056 0.000 0.924 38 N HN 0.476 8.753 8.380 -0.170 0.000 0.540 39 Y N -9.525 110.754 120.300 -0.035 0.000 4.490 39 Y HA -0.471 nan 4.550 nan 0.000 0.233 39 Y C 0.191 176.092 175.900 0.002 0.000 1.101 39 Y CA 1.378 59.479 58.100 0.001 0.000 2.010 39 Y CB -2.261 36.206 38.460 0.011 0.000 1.622 39 Y HN -0.260 7.757 8.280 -0.289 0.089 0.675 40 I N -2.451 118.134 120.570 0.025 0.000 2.500 40 I HA -0.265 nan 4.170 nan 0.000 0.252 40 I C 0.648 176.789 176.117 0.039 0.000 1.142 40 I CA 1.885 63.200 61.300 0.026 0.000 1.451 40 I CB 0.601 38.592 38.000 -0.014 0.000 1.093 40 I HN -0.397 7.616 8.210 -0.040 0.173 0.430 41 G N -2.615 106.201 108.800 0.026 0.000 2.746 41 G HA2 -0.254 nan 3.960 nan 0.000 0.685 41 G HA3 -0.254 nan 3.960 nan 0.000 0.685 41 G C -0.685 174.270 174.900 0.092 0.000 1.350 41 G CA -0.661 44.486 45.100 0.077 0.000 0.837 41 G HN -0.399 7.870 8.290 -0.035 0.000 0.564 42 Y N -0.169 120.094 120.300 -0.063 0.000 2.529 42 Y HA -0.106 nan 4.550 nan 0.000 0.290 42 Y C 1.404 177.132 175.900 -0.287 0.000 1.177 42 Y CA 1.446 59.353 58.100 -0.321 0.000 1.305 42 Y CB -0.398 37.484 38.460 -0.963 0.000 1.047 42 Y HN 0.447 8.868 8.280 0.235 0.000 0.522 43 G N 0.783 109.560 108.800 -0.037 0.000 2.553 43 G HA2 -0.374 nan 3.960 nan 0.000 0.218 43 G HA3 -0.374 nan 3.960 nan 0.000 0.218 43 G C -1.105 173.792 174.900 -0.004 0.000 1.195 43 G CA 2.582 47.660 45.100 -0.036 0.000 0.779 43 G HN 0.608 8.850 8.290 0.006 0.052 0.577 44 P HA -0.240 nan 4.420 nan 0.000 0.214 44 P C 0.916 178.253 177.300 0.062 0.000 1.163 44 P CA 2.843 65.974 63.100 0.052 0.000 0.889 44 P CB -0.556 31.177 31.700 0.054 0.000 0.790 45 V N -3.711 116.243 119.914 0.066 0.000 2.759 45 V HA -0.275 nan 4.120 nan 0.000 0.256 45 V C 1.554 177.651 176.094 0.005 0.000 1.080 45 V CA 2.688 65.019 62.300 0.052 0.000 1.101 45 V CB -0.637 31.241 31.823 0.093 0.000 0.698 45 V HN -0.168 8.072 8.190 0.083 0.000 0.477 46 L N -1.220 119.987 121.223 -0.026 0.000 2.095 46 L HA -0.263 nan 4.340 nan 0.000 0.204 46 L C 1.783 178.692 176.870 0.065 0.000 1.080 46 L CA 3.322 58.145 54.840 -0.029 0.000 0.759 46 L CB -0.545 41.452 42.059 -0.104 0.000 0.914 46 L HN -0.487 7.689 8.230 -0.043 0.028 0.439 47 V N -1.126 118.846 119.914 0.096 0.000 2.515 47 V HA -0.403 nan 4.120 nan 0.000 0.250 47 V C 1.293 177.554 176.094 0.279 0.000 1.058 47 V CA 3.673 66.096 62.300 0.205 0.000 1.064 47 V CB -0.769 31.127 31.823 0.121 0.000 0.675 47 V HN 0.051 8.274 8.190 0.055 0.000 0.461 48 R N 0.361 120.986 120.500 0.207 0.000 2.096 48 R HA -0.304 nan 4.340 nan 0.000 0.235 48 R C 1.827 178.178 176.300 0.084 0.000 1.127 48 R CA 3.298 59.550 56.100 0.254 0.000 0.968 48 R CB -0.102 30.264 30.300 0.110 0.000 0.861 48 R HN -0.345 8.009 8.270 0.139 0.000 0.440 49 L N -0.503 120.706 121.223 -0.023 0.000 2.027 49 L HA -0.281 nan 4.340 nan 0.000 0.206 49 L C 1.126 177.968 176.870 -0.047 0.000 1.074 49 L CA 2.940 57.682 54.840 -0.164 0.000 0.745 49 L CB -0.545 41.404 42.059 -0.184 0.000 0.898 49 L HN 0.048 8.279 8.230 0.001 0.000 0.433 50 A N -1.322 121.575 122.820 0.130 0.000 1.978 50 A HA -0.293 nan 4.320 nan 0.000 0.220 50 A C 2.037 179.779 177.584 0.263 0.000 1.170 50 A CA 2.932 55.094 52.037 0.210 0.000 0.636 50 A CB -0.785 18.407 19.000 0.320 0.000 0.810 50 A HN -0.045 8.198 8.150 0.154 0.000 0.448 51 W N -1.668 119.783 121.300 0.252 0.000 2.481 51 W HA -0.319 nan 4.660 nan 0.000 0.293 51 W C 1.204 177.873 176.519 0.251 0.000 1.201 51 W CA 2.640 60.155 57.345 0.283 0.000 1.328 51 W CB 0.116 29.797 29.460 0.367 0.000 1.112 51 W HN -0.400 8.090 8.180 0.518 0.000 0.546 52 H N 0.087 118.766 119.070 -0.652 0.000 2.421 52 H HA -0.366 nan 4.556 nan 0.000 0.298 52 H C 2.498 177.585 175.328 -0.400 0.000 1.087 52 H CA 3.652 59.269 56.048 -0.718 0.000 1.330 52 H CB 0.858 30.309 29.762 -0.520 0.000 1.388 52 H HN -0.230 7.996 8.280 -0.089 0.000 0.526 53 I N -5.037 115.441 120.570 -0.154 0.000 2.761 53 I HA -0.194 nan 4.170 nan 0.000 0.261 53 I C 1.307 177.427 176.117 0.004 0.000 1.198 53 I CA 2.567 63.836 61.300 -0.052 0.000 1.482 53 I CB -0.125 37.894 38.000 0.031 0.000 1.100 53 I HN -0.393 7.732 8.210 -0.140 0.000 0.445 54 S N 0.980 116.675 115.700 -0.008 0.000 2.470 54 S HA -0.078 nan 4.470 nan 0.000 0.225 54 S C 2.266 176.882 174.600 0.028 0.000 1.006 54 S CA 3.462 61.678 58.200 0.027 0.000 0.934 54 S CB -0.014 63.230 63.200 0.073 0.000 0.778 54 S HN -0.580 7.726 8.310 -0.008 0.000 0.517 55 G N 0.577 109.290 108.800 -0.145 0.000 2.813 55 G HA2 -0.009 nan 3.960 nan 0.000 0.209 55 G HA3 -0.009 nan 3.960 nan 0.000 0.209 55 G C -0.547 174.299 174.900 -0.089 0.000 1.150 55 G CA 1.524 46.511 45.100 -0.188 0.000 0.785 55 G HN 0.116 8.135 8.290 -0.289 0.097 0.535 56 T N -2.201 112.322 114.554 -0.052 0.000 3.160 56 T HA -0.073 nan 4.350 nan 0.000 0.257 56 T C 0.069 174.818 174.700 0.082 0.000 1.147 56 T CA -0.682 61.421 62.100 0.005 0.000 1.064 56 T CB -0.840 68.045 68.868 0.028 0.000 0.949 56 T HN -0.402 7.744 8.240 -0.071 0.051 0.526 57 W N 2.620 123.873 121.300 -0.078 0.000 2.223 57 W HA -0.205 nan 4.660 nan 0.000 0.334 57 W C -1.791 174.660 176.519 -0.113 0.000 1.334 57 W CA 0.845 58.149 57.345 -0.069 0.000 1.246 57 W CB 0.408 29.837 29.460 -0.052 0.000 1.184 57 W HN -0.719 7.530 8.180 0.231 0.069 0.563 58 D N 8.296 128.309 120.400 -0.645 0.000 2.481 58 D HA 0.301 nan 4.640 nan 0.000 0.246 58 D C 0.036 175.504 176.300 -1.386 0.000 1.109 58 D CA -1.815 51.691 54.000 -0.824 0.000 0.845 58 D CB 2.273 42.837 40.800 -0.394 0.000 1.160 58 D HN 0.222 8.295 8.370 -0.496 0.000 0.534 59 K N 5.904 125.300 120.400 -1.673 0.000 2.360 59 K HA -0.299 nan 4.320 nan 0.000 0.201 59 K C 1.093 177.245 176.600 -0.746 0.000 1.046 59 K CA 1.960 57.372 56.287 -1.459 0.000 0.945 59 K CB -0.165 31.701 32.500 -1.056 0.000 0.750 59 K HN 0.067 7.444 8.250 -1.456 0.000 0.464 60 H N -0.867 117.960 119.070 -0.405 0.000 2.403 60 H HA -0.101 nan 4.556 nan 0.000 0.298 60 H C 1.031 176.256 175.328 -0.172 0.000 1.059 60 H CA 1.831 57.742 56.048 -0.228 0.000 1.363 60 H CB 0.491 30.144 29.762 -0.182 0.000 1.410 60 H HN -0.141 7.851 8.280 -0.868 -0.233 0.528 61 D N -4.686 115.656 120.400 -0.098 0.000 2.513 61 D HA -0.011 nan 4.640 nan 0.000 0.222 61 D C 0.159 176.428 176.300 -0.052 0.000 1.210 61 D CA -1.063 52.902 54.000 -0.059 0.000 0.825 61 D CB 0.017 40.797 40.800 -0.033 0.000 1.037 61 D HN -0.636 7.622 8.370 -0.187 0.000 0.506 62 N N -2.387 116.261 118.700 -0.088 0.000 2.713 62 N HA -0.375 nan 4.740 nan 0.000 0.251 62 N C -0.267 175.386 175.510 0.238 0.000 1.117 62 N CA 1.309 54.430 53.050 0.118 0.000 0.770 62 N CB -0.604 37.965 38.487 0.137 0.000 1.137 62 N HN -0.192 8.060 8.380 -0.213 0.000 0.566 63 T N -5.676 108.927 114.554 0.081 0.000 2.816 63 T HA 0.328 nan 4.350 nan 0.000 0.282 63 T C -0.108 174.706 174.700 0.189 0.000 0.993 63 T CA -1.009 61.181 62.100 0.149 0.000 0.994 63 T CB 1.919 70.825 68.868 0.065 0.000 1.025 63 T HN -0.709 7.731 8.240 -0.050 -0.231 0.529 64 G N 2.967 111.878 108.800 0.185 0.000 2.601 64 G HA2 -0.501 nan 3.960 nan 0.000 0.261 64 G HA3 -0.501 nan 3.960 nan 0.000 0.261 64 G C -0.582 174.474 174.900 0.260 0.000 1.289 64 G CA -0.112 45.102 45.100 0.190 0.000 0.920 64 G HN 0.384 8.771 8.290 0.161 0.000 0.571 65 G N -1.036 107.898 108.800 0.223 0.000 2.756 65 G HA2 -0.324 nan 3.960 nan 0.000 0.678 65 G HA3 -0.324 nan 3.960 nan 0.000 0.678 65 G C 0.479 175.416 174.900 0.062 0.000 1.349 65 G CA -0.395 44.773 45.100 0.112 0.000 0.847 65 G HN -0.281 8.160 8.290 0.189 -0.038 0.548 66 S N 0.313 116.027 115.700 0.023 0.000 2.522 66 S HA -0.194 nan 4.470 nan 0.000 0.227 66 S C 1.489 176.149 174.600 0.099 0.000 0.986 66 S CA 2.280 60.529 58.200 0.082 0.000 0.929 66 S CB 0.216 63.459 63.200 0.072 0.000 0.769 66 S HN 0.531 8.813 8.310 -0.045 0.000 0.529 67 Y N 3.924 124.167 120.300 -0.094 0.000 2.081 67 Y HA -0.400 nan 4.550 nan 0.000 0.280 67 Y C 0.545 176.416 175.900 -0.048 0.000 1.163 67 Y CA 2.992 61.018 58.100 -0.124 0.000 1.135 67 Y CB -0.069 38.206 38.460 -0.308 0.000 0.970 67 Y HN -0.066 8.202 8.280 0.086 0.064 0.498 68 G N -6.636 102.232 108.800 0.113 0.000 2.920 68 G HA2 -0.070 nan 3.960 nan 0.000 0.208 68 G HA3 -0.070 nan 3.960 nan 0.000 0.208 68 G C 0.092 175.062 174.900 0.115 0.000 1.159 68 G CA -0.399 44.767 45.100 0.111 0.000 0.784 68 G HN -0.029 8.352 8.290 0.152 0.000 0.535 69 G N -0.024 108.853 108.800 0.129 0.000 2.337 69 G HA2 -0.512 nan 3.960 nan 0.000 0.290 69 G HA3 -0.512 nan 3.960 nan 0.000 0.290 69 G C 0.566 175.648 174.900 0.303 0.000 1.003 69 G CA 1.321 46.553 45.100 0.220 0.000 0.825 69 G HN -0.464 7.819 8.290 0.107 0.072 0.509 70 T N -3.920 110.828 114.554 0.324 0.000 3.098 70 T HA -0.310 nan 4.350 nan 0.000 0.266 70 T C 1.063 175.969 174.700 0.343 0.000 1.145 70 T CA 1.608 63.951 62.100 0.404 0.000 1.092 70 T CB -1.122 68.003 68.868 0.428 0.000 0.908 70 T HN 0.153 8.540 8.240 0.294 0.029 0.526 71 Y N 4.017 124.433 120.300 0.194 0.000 2.384 71 Y HA -0.369 nan 4.550 nan 0.000 0.289 71 Y C -0.024 175.900 175.900 0.041 0.000 1.152 71 Y CA 1.262 59.415 58.100 0.089 0.000 1.258 71 Y CB -0.720 37.688 38.460 -0.086 0.000 0.979 71 Y HN -0.544 7.969 8.280 0.473 0.051 0.549 72 R N -1.920 118.519 120.500 -0.101 0.000 2.159 72 R HA -0.307 nan 4.340 nan 0.000 0.237 72 R C 0.700 176.673 176.300 -0.545 0.000 1.131 72 R CA 1.727 57.614 56.100 -0.354 0.000 0.982 72 R CB -0.227 29.913 30.300 -0.267 0.000 0.868 72 R HN -0.820 7.524 8.270 0.178 0.033 0.453 73 F N -1.496 118.403 119.950 -0.084 0.000 2.389 73 F HA 0.134 nan 4.527 nan 0.000 0.337 73 F C 0.836 176.578 175.800 -0.097 0.000 1.112 73 F CA -0.671 57.279 58.000 -0.083 0.000 1.192 73 F CB 0.457 39.456 39.000 -0.002 0.000 1.185 73 F HN -0.484 7.545 8.300 -0.197 0.153 0.552 74 K N 3.396 123.863 120.400 0.111 0.000 2.059 74 K HA -0.484 nan 4.320 nan 0.000 0.212 74 K C 1.886 178.555 176.600 0.115 0.000 1.050 74 K CA 4.201 60.526 56.287 0.063 0.000 0.927 74 K CB -0.702 31.829 32.500 0.051 0.000 0.714 74 K HN 0.771 9.123 8.250 0.170 0.000 0.447 75 K N -1.205 119.265 120.400 0.116 0.000 2.020 75 K HA -0.405 nan 4.320 nan 0.000 0.212 75 K C 2.009 178.680 176.600 0.119 0.000 1.050 75 K CA 3.569 59.916 56.287 0.100 0.000 0.929 75 K CB -0.291 32.258 32.500 0.082 0.000 0.714 75 K HN 0.028 8.354 8.250 0.126 0.000 0.443 76 E N -1.987 118.305 120.200 0.154 0.000 2.107 76 E HA -0.250 nan 4.350 nan 0.000 0.191 76 E C 2.874 179.583 176.600 0.182 0.000 0.982 76 E CA 2.467 58.975 56.400 0.180 0.000 0.809 76 E CB -0.211 29.632 29.700 0.238 0.000 0.756 76 E HN -0.571 7.896 8.360 0.178 0.000 0.459 77 F N 0.570 120.438 119.950 -0.136 0.000 2.134 77 F HA -0.312 nan 4.527 nan 0.000 0.299 77 F C 0.456 176.202 175.800 -0.091 0.000 1.097 77 F CA 3.342 61.130 58.000 -0.352 0.000 1.264 77 F CB 0.326 38.983 39.000 -0.573 0.000 1.001 77 F HN -0.098 8.286 8.300 0.139 0.000 0.479 78 N N -3.543 115.212 118.700 0.092 0.000 2.398 78 N HA -0.056 nan 4.740 nan 0.000 0.188 78 N C -1.011 174.524 175.510 0.042 0.000 1.122 78 N CA 0.279 53.360 53.050 0.052 0.000 0.866 78 N CB 0.430 38.974 38.487 0.094 0.000 0.970 78 N HN -0.343 8.138 8.380 0.169 0.000 0.462 79 D N 2.680 123.115 120.400 0.058 0.000 2.520 79 D HA 0.017 nan 4.640 nan 0.000 0.243 79 D C -0.244 176.085 176.300 0.049 0.000 1.160 79 D CA -1.218 52.819 54.000 0.061 0.000 0.877 79 D CB 0.488 41.337 40.800 0.081 0.000 1.150 79 D HN -0.681 7.558 8.370 0.077 0.178 0.494 80 P HA -0.271 nan 4.420 nan 0.000 0.218 80 P C 1.342 178.683 177.300 0.068 0.000 1.154 80 P CA 2.474 65.604 63.100 0.049 0.000 0.872 80 P CB 0.174 31.903 31.700 0.050 0.000 0.790 81 S N -3.143 112.607 115.700 0.083 0.000 2.500 81 S HA -0.292 nan 4.470 nan 0.000 0.239 81 S C 0.621 175.338 174.600 0.194 0.000 0.989 81 S CA 2.933 61.210 58.200 0.129 0.000 0.951 81 S CB -0.438 62.814 63.200 0.087 0.000 0.759 81 S HN -0.410 8.125 8.310 0.071 -0.183 0.523 82 N N -0.213 118.555 118.700 0.114 0.000 2.230 82 N HA 0.078 nan 4.740 nan 0.000 0.202 82 N C -1.449 174.039 175.510 -0.037 0.000 1.119 82 N CA -0.881 52.204 53.050 0.057 0.000 0.851 82 N CB 0.394 38.931 38.487 0.083 0.000 0.990 82 N HN -0.059 8.176 8.380 0.081 0.194 0.497 83 A N -0.669 122.146 122.820 -0.008 0.000 2.567 83 A HA -0.176 nan 4.320 nan 0.000 0.240 83 A C 0.353 177.915 177.584 -0.037 0.000 1.053 83 A CA 1.902 53.922 52.037 -0.028 0.000 0.755 83 A CB -0.419 18.588 19.000 0.011 0.000 0.978 83 A HN -0.323 7.789 8.150 0.032 0.058 0.507 84 G N 3.372 112.137 108.800 -0.057 0.000 2.268 84 G HA2 -0.452 nan 3.960 nan 0.000 0.240 84 G HA3 -0.452 nan 3.960 nan 0.000 0.240 84 G C 1.332 176.204 174.900 -0.048 0.000 1.010 84 G CA 0.967 46.035 45.100 -0.052 0.000 0.618 84 G HN 0.391 8.840 8.290 -0.067 -0.199 0.516 85 L N 1.954 123.119 121.223 -0.098 0.000 2.362 85 L HA -0.379 nan 4.340 nan 0.000 0.219 85 L C 0.923 177.795 176.870 0.004 0.000 1.134 85 L CA 2.085 56.862 54.840 -0.104 0.000 0.807 85 L CB -0.585 41.320 42.059 -0.257 0.000 0.927 85 L HN -0.199 7.884 8.230 -0.121 0.075 0.447 86 Q N -1.186 118.584 119.800 -0.050 0.000 2.248 86 Q HA -0.442 nan 4.340 nan 0.000 0.208 86 Q C 2.297 178.442 176.000 0.242 0.000 0.984 86 Q CA 3.420 59.262 55.803 0.065 0.000 0.875 86 Q CB -0.986 27.753 28.738 0.003 0.000 0.910 86 Q HN 0.487 8.637 8.270 -0.137 0.038 0.433 87 N N -0.232 118.569 118.700 0.169 0.000 2.188 87 N HA -0.229 nan 4.740 nan 0.000 0.184 87 N C 2.252 177.874 175.510 0.188 0.000 1.018 87 N CA 2.752 55.919 53.050 0.195 0.000 0.858 87 N CB -0.566 38.031 38.487 0.183 0.000 0.989 87 N HN -0.537 7.881 8.380 0.106 0.027 0.426 88 G N -0.451 108.433 108.800 0.140 0.000 2.421 88 G HA2 -0.194 nan 3.960 nan 0.000 0.217 88 G HA3 -0.194 nan 3.960 nan 0.000 0.217 88 G C 0.990 176.014 174.900 0.207 0.000 1.143 88 G CA 1.453 46.604 45.100 0.085 0.000 0.784 88 G HN -0.141 8.109 8.290 0.115 0.108 0.541 89 F N 3.041 123.075 119.950 0.142 0.000 2.051 89 F HA -0.320 nan 4.527 nan 0.000 0.296 89 F C 1.064 176.980 175.800 0.193 0.000 1.122 89 F CA 2.605 60.748 58.000 0.238 0.000 1.201 89 F CB 0.302 39.544 39.000 0.402 0.000 0.978 89 F HN -0.244 8.289 8.300 0.388 0.000 0.472 90 K N -2.638 117.919 120.400 0.263 0.000 2.160 90 K HA -0.439 nan 4.320 nan 0.000 0.206 90 K C 1.977 178.556 176.600 -0.035 0.000 1.047 90 K CA 2.948 59.276 56.287 0.068 0.000 0.930 90 K CB -0.232 32.358 32.500 0.150 0.000 0.720 90 K HN -0.059 8.450 8.250 0.430 0.000 0.450 91 F N -2.183 117.626 119.950 -0.235 0.000 2.146 91 F HA -0.224 nan 4.527 nan 0.000 0.298 91 F C 0.520 176.150 175.800 -0.284 0.000 1.096 91 F CA 2.611 60.364 58.000 -0.412 0.000 1.275 91 F CB 0.600 39.163 39.000 -0.729 0.000 1.008 91 F HN -0.709 7.653 8.300 0.118 0.009 0.480 92 L N -2.946 118.304 121.223 0.045 0.000 2.341 92 L HA -0.262 nan 4.340 nan 0.000 0.214 92 L C 1.501 178.281 176.870 -0.149 0.000 1.115 92 L CA 1.541 56.367 54.840 -0.022 0.000 0.820 92 L CB -0.236 41.898 42.059 0.125 0.000 0.944 92 L HN -0.611 7.610 8.230 0.132 0.088 0.452 93 E N 0.547 120.605 120.200 -0.236 0.000 2.049 93 E HA -0.280 nan 4.350 nan 0.000 0.198 93 E C -1.026 175.472 176.600 -0.169 0.000 1.007 93 E CA 5.619 61.862 56.400 -0.261 0.000 0.809 93 E CB -1.699 27.786 29.700 -0.359 0.000 0.749 93 E HN -0.223 7.957 8.360 -0.250 0.030 0.450 94 P HA -0.201 nan 4.420 nan 0.000 0.217 94 P C 1.464 178.679 177.300 -0.142 0.000 1.148 94 P CA 2.707 65.705 63.100 -0.169 0.000 0.828 94 P CB -0.533 31.045 31.700 -0.204 0.000 0.783 95 I N -2.074 118.414 120.570 -0.136 0.000 2.353 95 I HA -0.449 nan 4.170 nan 0.000 0.248 95 I C 1.616 177.769 176.117 0.059 0.000 1.119 95 I CA 3.421 64.698 61.300 -0.038 0.000 1.417 95 I CB -0.223 37.721 38.000 -0.093 0.000 1.078 95 I HN -0.596 7.381 8.210 -0.187 0.120 0.421 96 H N 0.998 119.994 119.070 -0.123 0.000 2.357 96 H HA -0.337 nan 4.556 nan 0.000 0.301 96 H C 1.676 176.914 175.328 -0.150 0.000 1.082 96 H CA 2.767 58.729 56.048 -0.143 0.000 1.342 96 H CB 0.351 30.014 29.762 -0.165 0.000 1.389 96 H HN -0.268 7.933 8.280 0.003 0.080 0.511 97 K N -3.018 117.335 120.400 -0.078 0.000 2.152 97 K HA -0.219 nan 4.320 nan 0.000 0.206 97 K C 1.167 177.654 176.600 -0.189 0.000 1.048 97 K CA 1.583 57.780 56.287 -0.149 0.000 0.933 97 K CB -0.108 32.309 32.500 -0.138 0.000 0.721 97 K HN -0.418 7.795 8.250 -0.061 0.000 0.447 98 E N -1.616 118.448 120.200 -0.227 0.000 2.152 98 E HA -0.190 nan 4.350 nan 0.000 0.192 98 E C 0.040 176.191 176.600 -0.748 0.000 0.983 98 E CA 2.185 58.308 56.400 -0.463 0.000 0.818 98 E CB 0.844 30.245 29.700 -0.499 0.000 0.758 98 E HN -0.608 7.567 8.360 -0.157 0.090 0.467 99 F N -3.051 116.780 119.950 -0.198 0.000 2.531 99 F HA 0.470 nan 4.527 nan 0.000 0.333 99 F C -2.429 173.068 175.800 -0.506 0.000 1.292 99 F CA -2.947 54.811 58.000 -0.404 0.000 1.184 99 F CB -0.194 38.416 39.000 -0.650 0.000 1.426 99 F HN -0.580 7.579 8.300 -0.073 0.097 0.559 100 P HA -0.146 nan 4.420 nan 0.000 0.226 100 P C -0.400 176.862 177.300 -0.064 0.000 1.153 100 P CA 1.618 64.610 63.100 -0.180 0.000 0.777 100 P CB -0.328 31.304 31.700 -0.112 0.000 0.794 101 W N -5.930 115.398 121.300 0.046 0.000 2.467 101 W HA -0.106 nan 4.660 nan 0.000 0.275 101 W C -0.506 176.082 176.519 0.115 0.000 1.239 101 W CA -1.204 56.174 57.345 0.055 0.000 1.266 101 W CB -0.455 29.026 29.460 0.035 0.000 1.112 101 W HN -0.631 7.511 8.180 0.021 0.051 0.576 102 I N 2.228 122.659 120.570 -0.231 0.000 2.588 102 I HA -0.081 nan 4.170 nan 0.000 0.283 102 I C -0.455 175.736 176.117 0.122 0.000 1.119 102 I CA -0.077 61.168 61.300 -0.092 0.000 1.419 102 I CB 1.244 38.928 38.000 -0.525 0.000 1.394 102 I HN -0.690 7.069 8.210 -0.751 0.000 0.562 103 S N 8.382 124.161 115.700 0.131 0.000 2.584 103 S HA 0.030 nan 4.470 nan 0.000 0.270 103 S C 1.398 175.911 174.600 -0.145 0.000 1.346 103 S CA 0.035 58.258 58.200 0.039 0.000 1.018 103 S CB 0.554 63.754 63.200 -0.000 0.000 0.899 103 S HN 0.226 8.999 8.310 0.215 -0.334 0.542 104 S N 4.515 120.085 115.700 -0.216 0.000 2.359 104 S HA -0.356 nan 4.470 nan 0.000 0.224 104 S C 2.145 176.259 174.600 -0.810 0.000 1.035 104 S CA 4.177 61.979 58.200 -0.663 0.000 1.018 104 S CB -0.349 62.557 63.200 -0.489 0.000 0.876 104 S HN 0.226 8.862 8.310 -0.080 -0.373 0.448 105 G N 0.654 109.271 108.800 -0.307 0.000 2.446 105 G HA2 -0.336 nan 3.960 nan 0.000 0.217 105 G HA3 -0.336 nan 3.960 nan 0.000 0.217 105 G C 0.751 175.654 174.900 0.005 0.000 1.168 105 G CA 2.173 47.233 45.100 -0.068 0.000 0.771 105 G HN -0.271 7.892 8.290 -0.211 0.000 0.551 106 D N 2.381 122.795 120.400 0.024 0.000 2.123 106 D HA -0.204 nan 4.640 nan 0.000 0.196 106 D C 2.243 178.643 176.300 0.166 0.000 0.992 106 D CA 3.126 57.284 54.000 0.264 0.000 0.833 106 D CB -0.238 40.779 40.800 0.361 0.000 0.954 106 D HN -0.700 7.649 8.370 -0.034 0.000 0.455 107 L N 0.198 121.336 121.223 -0.142 0.000 2.005 107 L HA -0.276 nan 4.340 nan 0.000 0.207 107 L C 1.537 178.377 176.870 -0.049 0.000 1.072 107 L CA 3.355 58.051 54.840 -0.241 0.000 0.744 107 L CB -0.208 41.518 42.059 -0.555 0.000 0.895 107 L HN -0.308 7.762 8.230 -0.267 0.000 0.433 108 F N -2.403 117.549 119.950 0.004 0.000 2.120 108 F HA -0.440 nan 4.527 nan 0.000 0.300 108 F C 2.266 178.104 175.800 0.062 0.000 1.095 108 F CA 1.875 59.904 58.000 0.050 0.000 1.249 108 F CB -1.437 37.615 39.000 0.087 0.000 0.995 108 F HN 0.442 8.429 8.300 -0.523 0.000 0.480 109 S N -1.112 114.763 115.700 0.293 0.000 2.406 109 S HA -0.251 nan 4.470 nan 0.000 0.228 109 S C 2.036 176.746 174.600 0.182 0.000 1.020 109 S CA 3.220 61.578 58.200 0.262 0.000 0.965 109 S CB -0.017 63.381 63.200 0.330 0.000 0.798 109 S HN -0.042 8.435 8.310 0.279 0.000 0.488 110 L N 1.968 123.200 121.223 0.015 0.000 2.217 110 L HA -0.047 nan 4.340 nan 0.000 0.211 110 L C 1.471 178.217 176.870 -0.207 0.000 1.107 110 L CA 1.710 56.317 54.840 -0.388 0.000 0.783 110 L CB -0.581 41.023 42.059 -0.758 0.000 0.919 110 L HN -0.302 7.978 8.230 0.083 0.000 0.442 111 G N -1.220 107.531 108.800 -0.081 0.000 2.476 111 G HA2 -0.487 nan 3.960 nan 0.000 0.218 111 G HA3 -0.487 nan 3.960 nan 0.000 0.218 111 G C 0.903 175.800 174.900 -0.005 0.000 1.164 111 G CA 2.784 47.861 45.100 -0.039 0.000 0.768 111 G HN 0.342 8.613 8.290 -0.031 0.000 0.560 112 G N 0.738 109.602 108.800 0.107 0.000 2.421 112 G HA2 -0.327 nan 3.960 nan 0.000 0.216 112 G HA3 -0.327 nan 3.960 nan 0.000 0.216 112 G C 1.042 176.095 174.900 0.256 0.000 1.171 112 G CA 1.829 47.076 45.100 0.244 0.000 0.775 112 G HN -0.702 7.664 8.290 0.127 0.000 0.543 113 V N 2.688 122.736 119.914 0.223 0.000 2.287 113 V HA -0.503 nan 4.120 nan 0.000 0.248 113 V C 2.387 178.526 176.094 0.074 0.000 1.053 113 V CA 4.282 66.707 62.300 0.208 0.000 1.027 113 V CB -0.780 31.148 31.823 0.175 0.000 0.646 113 V HN -0.429 7.858 8.190 0.161 0.000 0.447 114 T N 0.804 115.281 114.554 -0.128 0.000 2.674 114 T HA -0.347 nan 4.350 nan 0.000 0.265 114 T C 1.389 175.939 174.700 -0.251 0.000 1.039 114 T CA 4.923 66.748 62.100 -0.458 0.000 1.150 114 T CB -0.649 67.789 68.868 -0.717 0.000 0.864 114 T HN 0.235 8.385 8.240 -0.149 0.000 0.427 115 A N 0.933 123.665 122.820 -0.145 0.000 1.892 115 A HA -0.283 nan 4.320 nan 0.000 0.218 115 A C 1.740 179.267 177.584 -0.094 0.000 1.188 115 A CA 3.320 55.299 52.037 -0.095 0.000 0.631 115 A CB -0.887 18.079 19.000 -0.057 0.000 0.822 115 A HN -0.073 8.002 8.150 -0.124 0.000 0.447 116 V N -1.136 118.704 119.914 -0.122 0.000 2.295 116 V HA -0.535 nan 4.120 nan 0.000 0.246 116 V C 2.406 178.344 176.094 -0.260 0.000 1.049 116 V CA 4.699 66.820 62.300 -0.298 0.000 1.024 116 V CB -0.942 30.610 31.823 -0.451 0.000 0.648 116 V HN -0.132 8.021 8.190 -0.062 0.000 0.447 117 Q N -1.929 117.803 119.800 -0.112 0.000 2.119 117 Q HA -0.313 nan 4.340 nan 0.000 0.201 117 Q C 3.177 179.184 176.000 0.011 0.000 0.972 117 Q CA 3.148 58.934 55.803 -0.028 0.000 0.847 117 Q CB -0.223 28.609 28.738 0.157 0.000 0.903 117 Q HN -0.248 7.989 8.270 -0.055 0.000 0.433 118 E N -0.227 119.973 120.200 -0.001 0.000 2.208 118 E HA -0.181 nan 4.350 nan 0.000 0.193 118 E C 1.299 177.908 176.600 0.016 0.000 0.988 118 E CA 1.692 58.102 56.400 0.016 0.000 0.828 118 E CB -0.197 29.487 29.700 -0.026 0.000 0.763 118 E HN -0.062 8.274 8.360 -0.041 0.000 0.478 119 M N -1.261 118.335 119.600 -0.006 0.000 2.686 119 M HA 0.040 nan 4.480 nan 0.000 0.216 119 M C -1.308 175.024 176.300 0.052 0.000 1.221 119 M CA 0.345 55.664 55.300 0.031 0.000 0.992 119 M CB -0.511 32.116 32.600 0.045 0.000 1.739 119 M HN -0.306 7.876 8.290 -0.042 0.083 0.461 120 Q N -5.429 114.392 119.800 0.034 0.000 2.481 120 Q HA -0.427 nan 4.340 nan 0.000 0.258 120 Q C -0.055 175.944 176.000 -0.001 0.000 0.961 120 Q CA 0.919 56.757 55.803 0.057 0.000 1.121 120 Q CB -3.153 25.657 28.738 0.120 0.000 1.503 120 Q HN -0.147 8.017 8.270 0.025 0.121 0.544 121 G N 1.286 109.959 108.800 -0.212 0.000 2.570 121 G HA2 0.115 nan 3.960 nan 0.000 0.276 121 G HA3 0.115 nan 3.960 nan 0.000 0.276 121 G C -1.967 172.559 174.900 -0.624 0.000 1.346 121 G CA -1.117 43.581 45.100 -0.671 0.000 1.034 121 G HN -0.151 7.982 8.290 -0.192 0.042 0.512 122 P HA -0.021 nan 4.420 nan 0.000 0.274 122 P C -1.137 176.037 177.300 -0.208 0.000 1.246 122 P CA -0.605 62.253 63.100 -0.404 0.000 0.795 122 P CB 0.850 32.319 31.700 -0.386 0.000 1.006 123 K N -0.797 119.561 120.400 -0.071 0.000 2.436 123 K HA -0.067 nan 4.320 nan 0.000 0.282 123 K C -0.205 176.399 176.600 0.006 0.000 1.044 123 K CA -0.249 56.033 56.287 -0.010 0.000 1.028 123 K CB -0.347 32.156 32.500 0.005 0.000 0.919 123 K HN 0.200 8.425 8.250 -0.040 0.000 0.474 124 I N 6.360 126.967 120.570 0.062 0.000 2.306 124 I HA 0.141 nan 4.170 nan 0.000 0.288 124 I C -1.635 174.539 176.117 0.094 0.000 1.036 124 I CA -4.696 56.665 61.300 0.102 0.000 1.221 124 I CB -1.663 36.469 38.000 0.219 0.000 1.385 124 I HN -0.272 8.237 8.210 0.093 -0.243 0.472 125 P HA -0.113 nan 4.420 nan 0.000 0.260 125 P C -2.168 175.159 177.300 0.044 0.000 1.172 125 P CA 0.289 63.376 63.100 -0.023 0.000 0.760 125 P CB 0.051 31.693 31.700 -0.098 0.000 0.773 126 W N 6.994 128.193 121.300 -0.168 0.000 2.736 126 W HA 0.238 nan 4.660 nan 0.000 0.335 126 W C -2.593 173.763 176.519 -0.272 0.000 1.059 126 W CA -1.578 55.691 57.345 -0.128 0.000 1.226 126 W CB 3.724 33.244 29.460 0.101 0.000 1.416 126 W HN 0.477 8.712 8.180 0.092 0.000 0.505 127 R N 4.212 124.055 120.500 -1.094 0.000 2.445 127 R HA 0.526 nan 4.340 nan 0.000 0.308 127 R C -1.198 174.188 176.300 -1.523 0.000 0.961 127 R CA -1.556 53.834 56.100 -1.182 0.000 0.862 127 R CB 3.203 32.803 30.300 -1.166 0.000 1.144 127 R HN 0.237 7.761 8.270 -1.242 0.000 0.447 128 C N -1.256 117.328 119.300 -1.194 0.000 2.470 128 C HA 0.446 nan 4.460 nan 0.000 0.350 128 C C 0.639 175.500 174.990 -0.215 0.000 1.341 128 C CA -1.828 56.710 59.018 -0.799 0.000 2.440 128 C CB 0.589 28.033 27.740 -0.494 0.000 2.295 128 C HN 0.626 8.238 8.230 -1.028 0.000 0.645 129 G N -0.659 108.129 108.800 -0.021 0.000 2.318 129 G HA2 -0.209 nan 3.960 nan 0.000 0.172 129 G HA3 -0.209 nan 3.960 nan 0.000 0.172 129 G C -1.106 173.786 174.900 -0.013 0.000 1.002 129 G CA -0.222 44.915 45.100 0.061 0.000 0.697 129 G HN 0.052 8.709 8.290 0.025 -0.353 0.483 130 R N 0.707 121.148 120.500 -0.098 0.000 2.643 130 R HA -0.023 nan 4.340 nan 0.000 0.270 130 R C -0.852 175.155 176.300 -0.489 0.000 1.061 130 R CA 0.974 56.834 56.100 -0.400 0.000 1.107 130 R CB 0.752 30.904 30.300 -0.246 0.000 0.999 130 R HN -0.328 8.194 8.270 -0.059 -0.287 0.460 131 V N 3.345 122.690 119.914 -0.949 0.000 2.487 131 V HA 0.091 nan 4.120 nan 0.000 0.298 131 V C -0.615 175.277 176.094 -0.337 0.000 1.028 131 V CA -1.381 60.653 62.300 -0.445 0.000 0.860 131 V CB 2.342 34.028 31.823 -0.228 0.000 0.991 131 V HN -0.091 6.845 8.190 -2.091 0.000 0.427 132 D N 6.956 127.287 120.400 -0.116 0.000 2.488 132 D HA 0.026 nan 4.640 nan 0.000 0.238 132 D C 0.275 176.623 176.300 0.080 0.000 1.138 132 D CA 1.158 55.153 54.000 -0.009 0.000 0.873 132 D CB 0.594 41.411 40.800 0.029 0.000 1.183 132 D HN 0.166 8.490 8.370 -0.077 0.000 0.458 133 T N 1.250 115.905 114.554 0.169 0.000 2.930 133 T HA 0.507 nan 4.350 nan 0.000 0.290 133 T C -1.986 172.872 174.700 0.264 0.000 1.052 133 T CA -3.211 59.015 62.100 0.210 0.000 1.017 133 T CB 0.881 69.892 68.868 0.238 0.000 1.137 133 T HN -0.097 8.256 8.240 0.188 0.000 0.511 134 P HA 0.099 nan 4.420 nan 0.000 0.270 134 P C 0.804 177.956 177.300 -0.247 0.000 1.227 134 P CA -0.847 62.289 63.100 0.061 0.000 0.788 134 P CB 0.665 32.374 31.700 0.015 0.000 0.926 135 E N 0.743 120.500 120.200 -0.737 0.000 2.209 135 E HA -0.367 nan 4.350 nan 0.000 0.196 135 E C 1.123 177.369 176.600 -0.589 0.000 0.993 135 E CA 3.233 58.771 56.400 -1.436 0.000 0.819 135 E CB -0.103 28.924 29.700 -1.121 0.000 0.745 135 E HN 0.471 8.566 8.360 -0.441 0.000 0.477 136 D N -5.923 114.303 120.400 -0.290 0.000 2.349 136 D HA -0.103 nan 4.640 nan 0.000 0.224 136 D C 1.063 177.322 176.300 -0.069 0.000 1.029 136 D CA 0.900 54.814 54.000 -0.143 0.000 0.879 136 D CB -0.820 39.928 40.800 -0.086 0.000 0.906 136 D HN 0.021 8.211 8.370 -0.253 0.029 0.528 137 T N -3.639 110.889 114.554 -0.043 0.000 3.129 137 T HA 0.068 nan 4.350 nan 0.000 0.251 137 T C 0.531 175.273 174.700 0.069 0.000 1.117 137 T CA -0.052 62.075 62.100 0.046 0.000 1.034 137 T CB 0.314 69.251 68.868 0.115 0.000 0.968 137 T HN -0.452 7.589 8.240 -0.083 0.149 0.526 138 T N 7.372 121.944 114.554 0.029 0.000 2.829 138 T HA 0.139 nan 4.350 nan 0.000 0.293 138 T C -1.726 173.024 174.700 0.083 0.000 0.970 138 T CA -0.186 61.972 62.100 0.097 0.000 1.168 138 T CB -0.375 68.531 68.868 0.063 0.000 0.911 138 T HN -0.697 7.424 8.240 -0.067 0.078 0.535 139 P HA 0.050 nan 4.420 nan 0.000 0.268 139 P C -1.644 175.695 177.300 0.064 0.000 1.205 139 P CA -0.723 62.422 63.100 0.075 0.000 0.771 139 P CB 0.590 32.338 31.700 0.080 0.000 0.858 140 D N 1.711 122.140 120.400 0.047 0.000 2.378 140 D HA -0.165 nan 4.640 nan 0.000 0.238 140 D C 0.328 176.658 176.300 0.049 0.000 1.180 140 D CA 0.697 54.724 54.000 0.044 0.000 0.895 140 D CB 0.452 41.272 40.800 0.033 0.000 1.192 140 D HN 0.118 8.512 8.370 0.040 0.000 0.438 141 N N -1.031 117.699 118.700 0.051 0.000 2.416 141 N HA -0.169 nan 4.740 nan 0.000 0.246 141 N C 1.218 176.759 175.510 0.051 0.000 1.260 141 N CA 1.001 54.083 53.050 0.052 0.000 0.897 141 N CB 0.153 38.672 38.487 0.053 0.000 1.110 141 N HN 0.197 8.607 8.380 0.050 0.000 0.439 142 G N 0.704 109.537 108.800 0.054 0.000 2.138 142 G HA2 -0.212 nan 3.960 nan 0.000 0.193 142 G HA3 -0.212 nan 3.960 nan 0.000 0.193 142 G C -0.134 174.818 174.900 0.085 0.000 0.998 142 G CA 0.154 45.296 45.100 0.069 0.000 0.668 142 G HN 0.486 8.806 8.290 0.050 0.000 0.516 143 R N -1.676 118.868 120.500 0.074 0.000 2.334 143 R HA 0.083 nan 4.340 nan 0.000 0.212 143 R C -0.330 176.086 176.300 0.193 0.000 0.897 143 R CA -0.281 55.878 56.100 0.098 0.000 1.056 143 R CB 0.701 31.021 30.300 0.034 0.000 1.046 143 R HN 0.126 8.426 8.270 0.050 0.000 0.513 144 L N 0.036 121.317 121.223 0.097 0.000 2.357 144 L HA 0.246 nan 4.340 nan 0.000 0.273 144 L C -1.908 174.947 176.870 -0.026 0.000 1.080 144 L CA -2.849 51.999 54.840 0.014 0.000 0.803 144 L CB 0.453 42.374 42.059 -0.231 0.000 1.174 144 L HN -0.444 7.763 8.230 0.053 0.054 0.443 145 P HA 0.058 nan 4.420 nan 0.000 0.275 145 P C -1.457 175.820 177.300 -0.038 0.000 1.227 145 P CA -0.714 62.125 63.100 -0.435 0.000 0.781 145 P CB 0.505 31.519 31.700 -1.144 0.000 0.906 146 D N 4.904 125.342 120.400 0.063 0.000 2.372 146 D HA 0.017 nan 4.640 nan 0.000 0.243 146 D C 0.003 176.267 176.300 -0.060 0.000 1.121 146 D CA 0.328 54.309 54.000 -0.031 0.000 0.898 146 D CB 0.589 41.296 40.800 -0.154 0.000 1.202 146 D HN -0.020 8.497 8.370 0.245 0.000 0.428 147 A N 0.104 122.914 122.820 -0.016 0.000 2.081 147 A HA 0.008 nan 4.320 nan 0.000 0.214 147 A C -0.269 177.290 177.584 -0.042 0.000 1.158 147 A CA 1.472 53.472 52.037 -0.063 0.000 0.724 147 A CB 0.484 19.336 19.000 -0.247 0.000 0.826 147 A HN 0.128 8.303 8.150 0.042 0.000 0.463 148 D N -3.771 116.637 120.400 0.012 0.000 3.008 148 D HA -0.029 nan 4.640 nan 0.000 0.242 148 D C -1.019 175.260 176.300 -0.035 0.000 1.222 148 D CA -0.184 53.846 54.000 0.051 0.000 0.883 148 D CB -1.975 38.883 40.800 0.097 0.000 1.110 148 D HN 0.166 8.544 8.370 0.013 0.000 0.455 149 K N -1.384 118.978 120.400 -0.065 0.000 2.318 149 K HA 0.247 nan 4.320 nan 0.000 0.265 149 K C -2.171 174.460 176.600 0.051 0.000 1.055 149 K CA -1.709 54.513 56.287 -0.108 0.000 0.896 149 K CB 2.818 35.006 32.500 -0.520 0.000 1.479 149 K HN -0.696 7.480 8.250 -0.021 0.061 0.449 150 D N -4.174 116.297 120.400 0.118 0.000 2.588 150 D HA 0.111 nan 4.640 nan 0.000 0.268 150 D C 0.434 176.877 176.300 0.238 0.000 1.176 150 D CA -1.053 53.050 54.000 0.171 0.000 1.080 150 D CB 1.872 42.762 40.800 0.149 0.000 1.186 150 D HN -0.160 8.277 8.370 0.111 0.000 0.619 151 A N -2.099 120.852 122.820 0.219 0.000 2.067 151 A HA -0.085 nan 4.320 nan 0.000 0.219 151 A C 1.734 179.482 177.584 0.272 0.000 1.158 151 A CA 2.662 54.878 52.037 0.300 0.000 0.661 151 A CB -0.210 18.934 19.000 0.241 0.000 0.801 151 A HN 0.507 8.758 8.150 0.169 0.000 0.452 152 G N -2.488 106.436 108.800 0.207 0.000 2.396 152 G HA2 -0.211 nan 3.960 nan 0.000 0.214 152 G HA3 -0.211 nan 3.960 nan 0.000 0.214 152 G C 0.368 175.408 174.900 0.234 0.000 1.166 152 G CA 1.381 46.583 45.100 0.170 0.000 0.793 152 G HN -0.573 7.981 8.290 0.192 -0.149 0.533 153 Y N 3.092 123.488 120.300 0.160 0.000 2.128 153 Y HA -0.446 nan 4.550 nan 0.000 0.284 153 Y C 1.593 177.654 175.900 0.268 0.000 1.154 153 Y CA 3.754 61.966 58.100 0.185 0.000 1.149 153 Y CB 0.161 38.712 38.460 0.152 0.000 0.976 153 Y HN -0.782 7.906 8.280 0.374 -0.183 0.505 154 V N -0.838 119.357 119.914 0.469 0.000 2.282 154 V HA -0.585 nan 4.120 nan 0.000 0.249 154 V C 2.014 178.415 176.094 0.512 0.000 1.057 154 V CA 4.614 67.205 62.300 0.485 0.000 1.032 154 V CB -1.095 30.995 31.823 0.444 0.000 0.645 154 V HN -0.197 8.306 8.190 0.520 0.000 0.447 155 R N -2.064 118.685 120.500 0.415 0.000 2.075 155 R HA -0.353 nan 4.340 nan 0.000 0.232 155 R C 2.140 178.578 176.300 0.231 0.000 1.126 155 R CA 3.655 59.959 56.100 0.339 0.000 0.963 155 R CB -0.102 30.306 30.300 0.180 0.000 0.858 155 R HN -0.334 8.170 8.270 0.390 0.000 0.435 156 T N 1.752 116.395 114.554 0.149 0.000 2.821 156 T HA -0.235 nan 4.350 nan 0.000 0.267 156 T C 1.901 176.608 174.700 0.011 0.000 1.046 156 T CA 4.915 67.052 62.100 0.062 0.000 1.139 156 T CB -0.550 68.335 68.868 0.029 0.000 0.871 156 T HN -0.475 7.858 8.240 0.155 0.000 0.454 157 F N 2.933 122.790 119.950 -0.156 0.000 2.084 157 F HA -0.386 nan 4.527 nan 0.000 0.296 157 F C 1.262 176.970 175.800 -0.154 0.000 1.111 157 F CA 3.438 61.284 58.000 -0.255 0.000 1.224 157 F CB 0.402 39.159 39.000 -0.405 0.000 0.991 157 F HN 0.109 8.461 8.300 0.086 0.000 0.471 158 F N -1.785 118.251 119.950 0.145 0.000 2.546 158 F HA -0.302 nan 4.527 nan 0.000 0.298 158 F C 1.554 177.358 175.800 0.007 0.000 1.120 158 F CA 3.303 61.361 58.000 0.096 0.000 1.456 158 F CB -0.313 38.816 39.000 0.215 0.000 1.088 158 F HN 0.081 8.723 8.300 0.570 0.000 0.572 159 Q N 0.543 120.403 119.800 0.100 0.000 2.172 159 Q HA -0.323 nan 4.340 nan 0.000 0.200 159 Q C 1.892 177.840 176.000 -0.087 0.000 0.964 159 Q CA 2.956 58.781 55.803 0.036 0.000 0.855 159 Q CB -0.556 28.205 28.738 0.039 0.000 0.918 159 Q HN -0.283 8.021 8.270 0.121 0.039 0.444 160 R N -1.258 119.104 120.500 -0.229 0.000 2.241 160 R HA -0.186 nan 4.340 nan 0.000 0.224 160 R C 0.691 176.792 176.300 -0.332 0.000 1.101 160 R CA 2.700 58.580 56.100 -0.365 0.000 0.995 160 R CB 0.049 30.067 30.300 -0.470 0.000 0.870 160 R HN -0.406 7.701 8.270 -0.271 0.000 0.463 161 L N -4.219 116.945 121.223 -0.099 0.000 3.014 161 L HA 0.114 nan 4.340 nan 0.000 0.263 161 L C -1.271 175.801 176.870 0.336 0.000 1.207 161 L CA -1.417 53.574 54.840 0.252 0.000 1.017 161 L CB -0.521 41.682 42.059 0.240 0.000 1.360 161 L HN -0.809 7.181 8.230 -0.107 0.176 0.560 162 N N -1.349 117.461 118.700 0.182 0.000 2.885 162 N HA -0.415 nan 4.740 nan 0.000 0.290 162 N C -0.622 174.997 175.510 0.180 0.000 1.013 162 N CA 0.989 54.136 53.050 0.162 0.000 0.851 162 N CB -1.078 37.487 38.487 0.131 0.000 0.945 162 N HN -0.505 7.820 8.380 0.045 0.082 0.600 163 M N -0.154 119.580 119.600 0.222 0.000 2.157 163 M HA 0.166 nan 4.480 nan 0.000 0.354 163 M C -0.414 175.992 176.300 0.177 0.000 1.170 163 M CA -1.729 53.702 55.300 0.218 0.000 1.060 163 M CB -0.230 32.577 32.600 0.345 0.000 1.615 163 M HN 0.092 8.506 8.290 0.245 0.023 0.460 164 N N 4.765 123.541 118.700 0.126 0.000 2.514 164 N HA 0.109 nan 4.740 nan 0.000 0.299 164 N C -0.043 175.546 175.510 0.131 0.000 1.292 164 N CA -1.003 52.117 53.050 0.117 0.000 0.963 164 N CB 0.611 39.151 38.487 0.087 0.000 1.124 164 N HN 0.377 9.135 8.380 0.109 -0.313 0.580 165 D N -0.104 120.383 120.400 0.145 0.000 2.097 165 D HA -0.257 nan 4.640 nan 0.000 0.195 165 D C 2.373 178.776 176.300 0.171 0.000 0.989 165 D CA 4.318 58.461 54.000 0.239 0.000 0.827 165 D CB -0.290 40.625 40.800 0.191 0.000 0.966 165 D HN 0.330 8.766 8.370 0.110 0.000 0.456 166 R N -0.129 120.442 120.500 0.117 0.000 2.081 166 R HA -0.355 nan 4.340 nan 0.000 0.235 166 R C 1.944 178.331 176.300 0.146 0.000 1.131 166 R CA 3.115 59.288 56.100 0.121 0.000 0.960 166 R CB -0.235 30.127 30.300 0.104 0.000 0.856 166 R HN -0.004 8.327 8.270 0.101 0.000 0.436 167 E N -0.312 119.944 120.200 0.094 0.000 2.085 167 E HA -0.376 nan 4.350 nan 0.000 0.194 167 E C 2.648 179.220 176.600 -0.046 0.000 0.994 167 E CA 3.222 59.652 56.400 0.050 0.000 0.801 167 E CB -0.187 29.542 29.700 0.048 0.000 0.743 167 E HN -0.532 8.146 8.360 0.090 -0.264 0.453 168 V N 0.347 120.180 119.914 -0.133 0.000 2.358 168 V HA -0.309 nan 4.120 nan 0.000 0.246 168 V C 2.131 178.039 176.094 -0.309 0.000 1.047 168 V CA 4.402 66.443 62.300 -0.431 0.000 1.035 168 V CB -0.872 30.683 31.823 -0.447 0.000 0.658 168 V HN 0.030 8.195 8.190 -0.041 0.000 0.452 169 V N -0.771 119.081 119.914 -0.103 0.000 2.323 169 V HA -0.408 nan 4.120 nan 0.000 0.244 169 V C 1.716 177.994 176.094 0.307 0.000 1.041 169 V CA 4.256 66.583 62.300 0.045 0.000 1.025 169 V CB -1.165 30.706 31.823 0.079 0.000 0.656 169 V HN -0.070 8.099 8.190 -0.036 0.000 0.451 170 A N -0.436 122.627 122.820 0.404 0.000 1.883 170 A HA -0.279 nan 4.320 nan 0.000 0.217 170 A C 2.383 180.249 177.584 0.470 0.000 1.186 170 A CA 3.194 55.506 52.037 0.458 0.000 0.624 170 A CB -0.641 18.540 19.000 0.301 0.000 0.822 170 A HN 0.109 8.468 8.150 0.349 0.000 0.444 171 L N -2.001 119.315 121.223 0.154 0.000 2.127 171 L HA -0.276 nan 4.340 nan 0.000 0.211 171 L C 2.430 179.247 176.870 -0.087 0.000 1.089 171 L CA 2.704 57.568 54.840 0.040 0.000 0.757 171 L CB -0.467 41.481 42.059 -0.185 0.000 0.899 171 L HN 0.080 8.337 8.230 0.045 0.000 0.434 172 M N -0.721 118.733 119.600 -0.243 0.000 2.492 172 M HA -0.095 nan 4.480 nan 0.000 0.262 172 M C 1.976 177.748 176.300 -0.880 0.000 1.090 172 M CA 1.237 56.196 55.300 -0.569 0.000 1.110 172 M CB -0.681 31.672 32.600 -0.412 0.000 1.407 172 M HN -0.286 7.794 8.290 -0.148 0.120 0.470 173 G N -1.321 107.208 108.800 -0.452 0.000 2.479 173 G HA2 -0.330 nan 3.960 nan 0.000 0.220 173 G HA3 -0.330 nan 3.960 nan 0.000 0.220 173 G C 0.332 174.848 174.900 -0.640 0.000 1.115 173 G CA 1.773 46.453 45.100 -0.700 0.000 0.757 173 G HN -0.073 8.092 8.290 0.008 0.130 0.560 174 A N 1.568 124.150 122.820 -0.396 0.000 2.172 174 A HA -0.198 nan 4.320 nan 0.000 0.216 174 A C 1.497 178.912 177.584 -0.282 0.000 1.154 174 A CA 1.867 53.725 52.037 -0.298 0.000 0.701 174 A CB -0.632 18.332 19.000 -0.059 0.000 0.789 174 A HN -0.551 7.439 8.150 -0.207 0.036 0.465 175 H N -1.741 116.946 119.070 -0.637 0.000 2.563 175 H HA -0.225 nan 4.556 nan 0.000 0.272 175 H C 0.042 175.174 175.328 -0.327 0.000 1.005 175 H CA 0.424 56.177 56.048 -0.492 0.000 1.171 175 H CB -0.284 29.129 29.762 -0.582 0.000 1.351 175 H HN 0.067 7.689 8.280 -0.821 0.166 0.602 176 A N -2.222 120.434 122.820 -0.274 0.000 2.019 176 A HA -0.172 nan 4.320 nan 0.000 0.219 176 A C 0.177 177.670 177.584 -0.151 0.000 1.164 176 A CA 1.112 53.041 52.037 -0.180 0.000 0.644 176 A CB 0.343 19.183 19.000 -0.266 0.000 0.805 176 A HN -0.707 7.112 8.150 -0.480 0.043 0.449 177 L N -2.533 118.606 121.223 -0.140 0.000 2.371 177 L HA -0.204 nan 4.340 nan 0.000 0.272 177 L C 0.905 177.746 176.870 -0.048 0.000 1.124 177 L CA 0.337 55.135 54.840 -0.071 0.000 0.816 177 L CB 0.347 42.391 42.059 -0.026 0.000 1.129 177 L HN -0.655 7.311 8.230 -0.168 0.163 0.448 178 G N 3.584 112.365 108.800 -0.031 0.000 2.528 178 G HA2 -0.389 nan 3.960 nan 0.000 0.262 178 G HA3 -0.389 nan 3.960 nan 0.000 0.262 178 G C -2.494 172.358 174.900 -0.081 0.000 1.200 178 G CA 0.589 45.674 45.100 -0.026 0.000 0.951 178 G HN 0.786 8.946 8.290 -0.025 0.115 0.566 179 K N -2.119 118.200 120.400 -0.135 0.000 2.658 179 K HA 0.438 nan 4.320 nan 0.000 0.293 179 K C -2.118 174.260 176.600 -0.371 0.000 1.026 179 K CA -1.421 54.724 56.287 -0.238 0.000 0.871 179 K CB 2.829 35.171 32.500 -0.263 0.000 1.524 179 K HN -0.295 7.902 8.250 -0.088 0.000 0.400 180 T N -3.013 111.357 114.554 -0.307 0.000 2.913 180 T HA 0.434 nan 4.350 nan 0.000 0.287 180 T C -0.215 174.259 174.700 -0.377 0.000 1.008 180 T CA -1.354 60.604 62.100 -0.237 0.000 1.067 180 T CB 1.137 69.967 68.868 -0.063 0.000 0.996 180 T HN 0.300 8.411 8.240 -0.214 0.000 0.513 181 H N 1.124 120.217 119.070 0.038 0.000 2.589 181 H HA 0.458 nan 4.556 nan 0.000 0.351 181 H C -0.291 175.058 175.328 0.035 0.000 1.074 181 H CA -0.759 55.300 56.048 0.019 0.000 1.203 181 H CB 2.558 32.317 29.762 -0.005 0.000 1.558 181 H HN 0.270 8.603 8.280 0.089 0.000 0.522 182 L N 5.022 126.310 121.223 0.108 0.000 2.046 182 L HA -0.327 nan 4.340 nan 0.000 0.208 182 L C 0.917 177.817 176.870 0.050 0.000 1.077 182 L CA 3.602 58.475 54.840 0.056 0.000 0.747 182 L CB 0.346 42.418 42.059 0.021 0.000 0.896 182 L HN 0.101 8.662 8.230 0.090 -0.277 0.432 183 K N -2.418 118.016 120.400 0.057 0.000 2.283 183 K HA -0.280 nan 4.320 nan 0.000 0.202 183 K C 0.746 177.374 176.600 0.046 0.000 1.048 183 K CA 2.366 58.675 56.287 0.037 0.000 0.948 183 K CB -0.473 32.041 32.500 0.025 0.000 0.742 183 K HN 0.255 8.546 8.250 0.069 0.000 0.458 184 N N -2.019 116.729 118.700 0.080 0.000 2.176 184 N HA -0.078 nan 4.740 nan 0.000 0.187 184 N C 1.127 176.695 175.510 0.096 0.000 1.043 184 N CA 2.209 55.306 53.050 0.078 0.000 0.851 184 N CB 0.455 39.004 38.487 0.102 0.000 1.018 184 N HN -0.585 7.842 8.380 0.120 0.025 0.436 185 S N -3.655 112.129 115.700 0.140 0.000 2.559 185 S HA 0.142 nan 4.470 nan 0.000 0.226 185 S C 0.529 175.218 174.600 0.147 0.000 1.000 185 S CA -0.539 57.773 58.200 0.187 0.000 0.948 185 S CB 1.522 64.891 63.200 0.282 0.000 0.870 185 S HN -0.561 7.845 8.310 0.160 0.000 0.497 186 G N 0.690 109.499 108.800 0.015 0.000 2.153 186 G HA2 -0.383 nan 3.960 nan 0.000 0.252 186 G HA3 -0.383 nan 3.960 nan 0.000 0.252 186 G C -1.389 173.252 174.900 -0.433 0.000 0.994 186 G CA 0.952 45.936 45.100 -0.192 0.000 0.698 186 G HN -0.277 8.035 8.290 0.037 0.000 0.521 187 Y N -2.800 117.507 120.300 0.012 0.000 2.576 187 Y HA 0.251 nan 4.550 nan 0.000 0.346 187 Y C -1.423 174.469 175.900 -0.014 0.000 1.018 187 Y CA -2.080 56.019 58.100 -0.001 0.000 1.050 187 Y CB 3.281 41.739 38.460 -0.002 0.000 1.280 187 Y HN -0.897 7.432 8.280 0.153 0.042 0.474 188 E N 1.072 121.356 120.200 0.140 0.000 2.291 188 E HA 0.283 nan 4.350 nan 0.000 0.276 188 E C -1.429 175.195 176.600 0.040 0.000 0.896 188 E CA -0.958 55.472 56.400 0.050 0.000 0.774 188 E CB 2.876 32.593 29.700 0.028 0.000 1.227 188 E HN -0.037 8.655 8.360 0.186 -0.220 0.413 189 G N 4.376 113.168 108.800 -0.013 0.000 2.334 189 G HA2 -0.134 nan 3.960 nan 0.000 0.566 189 G HA3 -0.134 nan 3.960 nan 0.000 0.566 189 G C -3.277 171.616 174.900 -0.011 0.000 1.413 189 G CA -0.567 44.541 45.100 0.013 0.000 0.993 189 G HN -0.202 8.043 8.290 -0.075 0.000 0.642 190 P HA 0.454 nan 4.420 nan 0.000 0.279 190 P C -0.459 176.875 177.300 0.057 0.000 1.276 190 P CA -0.883 62.227 63.100 0.017 0.000 0.801 190 P CB 1.264 32.987 31.700 0.037 0.000 1.127 191 G N -3.445 105.333 108.800 -0.037 0.000 3.159 191 G HA2 0.046 nan 3.960 nan 0.000 0.232 191 G HA3 0.046 nan 3.960 nan 0.000 0.232 191 G C -1.528 173.192 174.900 -0.300 0.000 1.116 191 G CA -0.785 44.292 45.100 -0.038 0.000 0.767 191 G HN 0.464 8.709 8.290 -0.075 0.000 0.547 192 G N -1.940 106.505 108.800 -0.592 0.000 2.341 192 G HA2 0.002 nan 3.960 nan 0.000 0.299 192 G HA3 0.002 nan 3.960 nan 0.000 0.299 192 G C -1.718 172.823 174.900 -0.599 0.000 1.274 192 G CA 0.440 44.893 45.100 -1.080 0.000 0.853 192 G HN -0.860 7.175 8.290 -0.331 0.056 0.493 193 A N -0.523 122.098 122.820 -0.331 0.000 1.887 193 A HA 0.086 nan 4.320 nan 0.000 0.212 193 A C 0.894 178.457 177.584 -0.035 0.000 1.198 193 A CA 1.568 53.580 52.037 -0.042 0.000 0.628 193 A CB 1.166 20.195 19.000 0.047 0.000 0.847 193 A HN 0.192 8.480 8.150 -0.380 -0.366 0.449 194 A N -0.434 122.354 122.820 -0.054 0.000 3.091 194 A HA 0.159 nan 4.320 nan 0.000 0.264 194 A C -0.973 176.585 177.584 -0.044 0.000 1.673 194 A CA -0.943 51.077 52.037 -0.027 0.000 1.362 194 A CB -1.857 17.134 19.000 -0.016 0.000 1.137 194 A HN -0.432 7.927 8.150 -0.085 -0.259 0.617 195 N N -0.147 118.530 118.700 -0.038 0.000 2.362 195 N HA -0.073 nan 4.740 nan 0.000 0.204 195 N C -1.222 174.281 175.510 -0.011 0.000 1.166 195 N CA 0.314 53.338 53.050 -0.044 0.000 0.831 195 N CB 0.105 38.561 38.487 -0.051 0.000 1.008 195 N HN -0.146 8.157 8.380 -0.027 0.061 0.472 196 N N -3.645 115.062 118.700 0.012 0.000 2.381 196 N HA 0.101 nan 4.740 nan 0.000 0.257 196 N C -1.796 173.745 175.510 0.052 0.000 1.409 196 N CA -0.740 52.330 53.050 0.034 0.000 0.836 196 N CB -0.549 37.964 38.487 0.044 0.000 1.384 196 N HN 0.092 8.416 8.380 0.012 0.064 0.490 197 V N -0.392 119.553 119.914 0.051 0.000 2.735 197 V HA 0.379 nan 4.120 nan 0.000 0.310 197 V C -1.958 174.197 176.094 0.100 0.000 1.061 197 V CA -0.675 61.675 62.300 0.083 0.000 0.913 197 V CB 2.609 34.476 31.823 0.074 0.000 1.005 197 V HN -0.808 7.398 8.190 0.026 0.000 0.428 198 F N 7.635 127.581 119.950 -0.007 0.000 2.390 198 F HA 0.236 nan 4.527 nan 0.000 0.361 198 F C -1.005 174.898 175.800 0.171 0.000 1.124 198 F CA 0.036 58.020 58.000 -0.027 0.000 1.149 198 F CB 0.772 39.640 39.000 -0.219 0.000 1.160 198 F HN 0.589 9.035 8.300 0.242 0.000 0.501 199 T N 2.486 117.022 114.554 -0.030 0.000 2.654 199 T HA 0.263 nan 4.350 nan 0.000 0.289 199 T C -1.175 173.593 174.700 0.114 0.000 1.062 199 T CA -2.050 60.152 62.100 0.170 0.000 1.041 199 T CB 2.644 71.557 68.868 0.075 0.000 1.417 199 T HN -0.242 7.840 8.240 -0.263 0.000 0.510 200 N N -2.794 115.965 118.700 0.100 0.000 2.362 200 N HA -0.028 nan 4.740 nan 0.000 0.204 200 N C 0.899 176.366 175.510 -0.071 0.000 1.166 200 N CA 0.112 53.149 53.050 -0.022 0.000 0.831 200 N CB -1.403 37.139 38.487 0.092 0.000 1.008 200 N HN 0.263 8.699 8.380 0.093 0.000 0.472 201 E N 1.212 121.350 120.200 -0.104 0.000 2.130 201 E HA -0.392 nan 4.350 nan 0.000 0.196 201 E C 0.867 177.388 176.600 -0.133 0.000 0.998 201 E CA 3.126 59.467 56.400 -0.098 0.000 0.806 201 E CB -0.364 29.270 29.700 -0.109 0.000 0.738 201 E HN -0.785 7.401 8.360 -0.100 0.113 0.459 202 F N -0.153 119.521 119.950 -0.461 0.000 2.161 202 F HA -0.396 nan 4.527 nan 0.000 0.300 202 F C 1.720 177.248 175.800 -0.452 0.000 1.089 202 F CA 3.333 61.017 58.000 -0.527 0.000 1.282 202 F CB -0.108 38.426 39.000 -0.777 0.000 1.010 202 F HN -0.115 8.026 8.300 -0.265 0.000 0.485 203 Y N -2.671 117.561 120.300 -0.113 0.000 2.153 203 Y HA -0.381 nan 4.550 nan 0.000 0.289 203 Y C 2.087 177.904 175.900 -0.139 0.000 1.127 203 Y CA 3.609 61.603 58.100 -0.177 0.000 1.131 203 Y CB -0.699 37.700 38.460 -0.101 0.000 0.995 203 Y HN -0.470 7.495 8.280 -0.485 0.024 0.505 204 L N -1.200 120.060 121.223 0.061 0.000 2.013 204 L HA -0.599 nan 4.340 nan 0.000 0.212 204 L C 2.193 179.091 176.870 0.046 0.000 1.073 204 L CA 3.231 58.095 54.840 0.040 0.000 0.753 204 L CB -0.704 41.374 42.059 0.031 0.000 0.890 204 L HN -0.663 7.618 8.230 0.084 0.000 0.432 205 N N -1.413 117.311 118.700 0.040 0.000 2.166 205 N HA -0.289 nan 4.740 nan 0.000 0.186 205 N C 2.503 178.222 175.510 0.348 0.000 1.019 205 N CA 2.989 56.147 53.050 0.181 0.000 0.856 205 N CB -0.505 38.102 38.487 0.200 0.000 0.993 205 N HN -0.050 8.321 8.380 -0.014 0.000 0.426 206 L N -0.447 120.807 121.223 0.052 0.000 2.093 206 L HA -0.175 nan 4.340 nan 0.000 0.208 206 L C 1.402 178.339 176.870 0.112 0.000 1.085 206 L CA 2.855 57.675 54.840 -0.034 0.000 0.755 206 L CB 0.018 41.780 42.059 -0.495 0.000 0.904 206 L HN -0.427 7.637 8.230 -0.147 0.078 0.435 207 L N -3.130 118.129 121.223 0.060 0.000 2.270 207 L HA -0.231 nan 4.340 nan 0.000 0.210 207 L C 1.314 178.235 176.870 0.085 0.000 1.104 207 L CA 2.159 57.031 54.840 0.053 0.000 0.804 207 L CB 0.261 42.329 42.059 0.015 0.000 0.937 207 L HN -0.021 8.225 8.230 0.027 0.000 0.450 208 N N -4.218 114.541 118.700 0.098 0.000 2.197 208 N HA 0.047 nan 4.740 nan 0.000 0.201 208 N C -0.342 175.160 175.510 -0.012 0.000 1.148 208 N CA 0.080 53.157 53.050 0.044 0.000 0.883 208 N CB 1.464 39.969 38.487 0.030 0.000 1.012 208 N HN -0.135 8.320 8.380 0.125 0.000 0.507 209 E N -0.011 120.157 120.200 -0.053 0.000 2.283 209 E HA 0.065 nan 4.350 nan 0.000 0.267 209 E C -0.932 175.385 176.600 -0.472 0.000 1.045 209 E CA -0.538 55.614 56.400 -0.413 0.000 0.884 209 E CB 1.127 30.269 29.700 -0.931 0.000 1.106 209 E HN -0.744 7.698 8.360 0.138 0.000 0.408 210 D N 3.012 123.146 120.400 -0.442 0.000 2.494 210 D HA 0.057 nan 4.640 nan 0.000 0.217 210 D C -0.974 175.169 176.300 -0.261 0.000 1.153 210 D CA -1.461 52.404 54.000 -0.226 0.000 0.954 210 D CB -0.695 40.015 40.800 -0.150 0.000 1.034 210 D HN 0.217 8.321 8.370 -0.443 0.000 0.518 211 W N 1.839 123.224 121.300 0.142 0.000 2.266 211 W HA 0.027 nan 4.660 nan 0.000 0.317 211 W C -0.660 176.014 176.519 0.259 0.000 1.310 211 W CA -0.759 56.713 57.345 0.212 0.000 1.207 211 W CB 0.875 30.485 29.460 0.250 0.000 1.199 211 W HN -0.597 7.656 8.180 0.122 0.000 0.544 212 K N 3.285 123.893 120.400 0.346 0.000 2.376 212 K HA 0.318 nan 4.320 nan 0.000 0.257 212 K C -1.477 175.020 176.600 -0.172 0.000 0.939 212 K CA -1.772 54.575 56.287 0.100 0.000 0.809 212 K CB 3.217 35.727 32.500 0.016 0.000 1.121 212 K HN 0.868 9.203 8.250 0.333 0.114 0.425 213 L N 6.923 127.768 121.223 -0.631 0.000 2.500 213 L HA 0.066 nan 4.340 nan 0.000 0.272 213 L C -0.988 175.606 176.870 -0.459 0.000 1.149 213 L CA 0.621 54.881 54.840 -0.967 0.000 0.897 213 L CB 0.371 41.686 42.059 -1.240 0.000 1.178 213 L HN 0.534 8.443 8.230 -0.536 0.000 0.473 214 E N 6.766 126.759 120.200 -0.345 0.000 2.393 214 E HA 0.374 nan 4.350 nan 0.000 0.273 214 E C -1.564 174.942 176.600 -0.158 0.000 0.918 214 E CA -2.062 54.220 56.400 -0.196 0.000 0.773 214 E CB 3.941 33.570 29.700 -0.118 0.000 1.275 214 E HN 0.610 8.740 8.360 -0.383 0.000 0.451 215 K N 1.036 121.366 120.400 -0.117 0.000 2.174 215 K HA 0.253 nan 4.320 nan 0.000 0.275 215 K C -0.413 176.142 176.600 -0.076 0.000 1.015 215 K CA 0.104 56.334 56.287 -0.095 0.000 0.933 215 K CB 1.006 33.456 32.500 -0.083 0.000 1.025 215 K HN 0.337 8.521 8.250 -0.110 0.000 0.463 216 N N 5.024 123.677 118.700 -0.078 0.000 2.538 216 N HA 0.181 nan 4.740 nan 0.000 0.292 216 N C 0.795 176.262 175.510 -0.071 0.000 1.262 216 N CA -1.145 51.866 53.050 -0.065 0.000 0.976 216 N CB 0.576 39.026 38.487 -0.062 0.000 1.161 216 N HN 0.320 8.643 8.380 -0.095 0.000 0.598 217 D N -1.623 118.742 120.400 -0.058 0.000 2.311 217 D HA -0.235 nan 4.640 nan 0.000 0.212 217 D C 0.130 176.390 176.300 -0.068 0.000 0.972 217 D CA 2.997 56.965 54.000 -0.054 0.000 0.887 217 D CB -0.587 40.191 40.800 -0.038 0.000 0.915 217 D HN 0.559 8.901 8.370 -0.046 0.000 0.497 218 A N -2.285 120.475 122.820 -0.100 0.000 2.218 218 A HA -0.042 nan 4.320 nan 0.000 0.209 218 A C -0.275 177.237 177.584 -0.121 0.000 1.168 218 A CA 0.272 52.237 52.037 -0.119 0.000 0.804 218 A CB 0.645 19.537 19.000 -0.181 0.000 0.834 218 A HN -0.288 7.994 8.150 -0.116 -0.202 0.482 219 N N -5.819 112.813 118.700 -0.113 0.000 2.937 219 N HA -0.427 nan 4.740 nan 0.000 0.248 219 N C -1.596 173.842 175.510 -0.120 0.000 1.069 219 N CA 0.933 53.924 53.050 -0.098 0.000 0.822 219 N CB -1.294 37.149 38.487 -0.074 0.000 1.122 219 N HN 0.022 8.328 8.380 -0.106 0.010 0.554 220 N N -0.321 118.269 118.700 -0.183 0.000 2.430 220 N HA 0.226 nan 4.740 nan 0.000 0.298 220 N C -1.518 173.925 175.510 -0.112 0.000 1.130 220 N CA -0.358 52.572 53.050 -0.199 0.000 0.894 220 N CB 2.209 40.381 38.487 -0.526 0.000 1.209 220 N HN -0.452 8.040 8.380 -0.210 -0.238 0.503 221 E N 0.178 120.364 120.200 -0.023 0.000 2.313 221 E HA 0.287 nan 4.350 nan 0.000 0.272 221 E C -0.847 175.807 176.600 0.089 0.000 1.038 221 E CA -0.019 56.364 56.400 -0.029 0.000 0.863 221 E CB 1.315 30.967 29.700 -0.079 0.000 1.060 221 E HN 0.315 8.679 8.360 0.008 0.000 0.402 222 Q N -1.875 117.908 119.800 -0.029 0.000 2.534 222 Q HA 0.495 nan 4.340 nan 0.000 0.290 222 Q C -1.616 174.272 176.000 -0.187 0.000 0.991 222 Q CA -2.093 53.726 55.803 0.026 0.000 0.783 222 Q CB 2.964 31.820 28.738 0.195 0.000 1.470 222 Q HN 0.668 8.868 8.270 -0.117 0.000 0.406 223 W N 0.158 121.442 121.300 -0.027 0.000 2.357 223 W HA 0.121 nan 4.660 nan 0.000 0.317 223 W C -0.803 175.871 176.519 0.257 0.000 1.101 223 W CA -0.037 57.303 57.345 -0.009 0.000 1.380 223 W CB 0.331 29.625 29.460 -0.277 0.000 1.266 223 W HN 0.357 8.720 8.180 0.305 0.000 0.419 224 D N 5.679 126.299 120.400 0.366 0.000 2.193 224 D HA 0.713 nan 4.640 nan 0.000 0.249 224 D C -0.709 175.720 176.300 0.215 0.000 1.034 224 D CA -0.788 53.403 54.000 0.318 0.000 0.902 224 D CB 2.764 43.632 40.800 0.114 0.000 1.182 224 D HN 0.525 9.002 8.370 0.178 0.000 0.436 225 S N 1.084 116.775 115.700 -0.015 0.000 2.648 225 S HA 0.592 nan 4.470 nan 0.000 0.305 225 S C 1.115 175.547 174.600 -0.280 0.000 1.094 225 S CA -1.688 56.300 58.200 -0.353 0.000 0.983 225 S CB 3.233 65.910 63.200 -0.871 0.000 1.101 225 S HN 0.326 8.690 8.310 0.090 0.000 0.514 226 K N 3.226 123.453 120.400 -0.287 0.000 2.074 226 K HA -0.290 nan 4.320 nan 0.000 0.209 226 K C 1.431 177.861 176.600 -0.284 0.000 1.048 226 K CA 2.834 58.983 56.287 -0.231 0.000 0.926 226 K CB -0.438 31.942 32.500 -0.201 0.000 0.713 226 K HN 0.775 8.841 8.250 -0.307 0.000 0.444 227 S N -3.221 112.219 115.700 -0.432 0.000 2.493 227 S HA -0.157 nan 4.470 nan 0.000 0.243 227 S C 0.703 174.907 174.600 -0.659 0.000 0.991 227 S CA 1.078 58.915 58.200 -0.604 0.000 0.957 227 S CB 0.040 62.635 63.200 -1.007 0.000 0.756 227 S HN -0.142 7.888 8.310 -0.457 0.006 0.521 228 G N -1.024 107.508 108.800 -0.448 0.000 2.176 228 G HA2 -0.372 nan 3.960 nan 0.000 0.232 228 G HA3 -0.372 nan 3.960 nan 0.000 0.232 228 G C -0.779 174.101 174.900 -0.033 0.000 0.986 228 G CA -0.049 44.916 45.100 -0.226 0.000 0.643 228 G HN -0.309 7.598 8.290 -0.356 0.170 0.522 229 Y N -0.734 119.591 120.300 0.042 0.000 2.354 229 Y HA 0.257 nan 4.550 nan 0.000 0.322 229 Y C -1.258 174.832 175.900 0.317 0.000 1.253 229 Y CA -2.952 55.243 58.100 0.158 0.000 1.272 229 Y CB 0.922 39.519 38.460 0.229 0.000 1.255 229 Y HN -0.921 6.927 8.280 -0.605 0.069 0.500 230 M N -1.780 118.126 119.600 0.509 0.000 2.593 230 M HA 0.736 nan 4.480 nan 0.000 0.290 230 M C -1.661 174.748 176.300 0.182 0.000 1.244 230 M CA -1.434 54.105 55.300 0.399 0.000 0.857 230 M CB 4.245 36.976 32.600 0.218 0.000 1.738 230 M HN 0.590 9.130 8.290 0.418 0.000 0.461 231 M N -0.909 118.703 119.600 0.020 0.000 2.393 231 M HA 0.497 nan 4.480 nan 0.000 0.299 231 M C -1.627 174.677 176.300 0.006 0.000 1.103 231 M CA -1.361 53.842 55.300 -0.161 0.000 0.910 231 M CB 4.097 36.348 32.600 -0.581 0.000 1.659 231 M HN 0.755 9.142 8.290 0.160 0.000 0.445 232 L N 2.169 123.372 121.223 -0.033 0.000 2.464 232 L HA 0.183 nan 4.340 nan 0.000 0.264 232 L C -0.927 176.008 176.870 0.109 0.000 1.199 232 L CA -1.321 53.488 54.840 -0.052 0.000 0.818 232 L CB -1.062 40.884 42.059 -0.187 0.000 1.102 232 L HN 0.178 8.674 8.230 -0.049 -0.295 0.473 233 P HA -0.297 nan 4.420 nan 0.000 0.216 233 P C 1.232 178.624 177.300 0.153 0.000 1.157 233 P CA 3.194 66.451 63.100 0.262 0.000 0.880 233 P CB -0.018 31.814 31.700 0.220 0.000 0.791 234 T N -5.817 108.792 114.554 0.090 0.000 2.833 234 T HA -0.315 nan 4.350 nan 0.000 0.269 234 T C 1.532 176.277 174.700 0.075 0.000 1.054 234 T CA 3.968 66.127 62.100 0.097 0.000 1.135 234 T CB -0.879 68.053 68.868 0.107 0.000 0.869 234 T HN -0.050 8.222 8.240 0.054 0.000 0.466 235 D N 1.650 122.094 120.400 0.073 0.000 2.117 235 D HA -0.178 nan 4.640 nan 0.000 0.198 235 D C 2.075 178.294 176.300 -0.134 0.000 0.982 235 D CA 2.854 56.895 54.000 0.068 0.000 0.828 235 D CB -0.566 40.312 40.800 0.130 0.000 0.967 235 D HN -0.716 7.571 8.370 0.067 0.123 0.464 236 Y N 2.123 122.235 120.300 -0.313 0.000 2.293 236 Y HA -0.375 nan 4.550 nan 0.000 0.291 236 Y C 1.586 177.279 175.900 -0.345 0.000 1.137 236 Y CA 3.145 60.917 58.100 -0.545 0.000 1.202 236 Y CB 0.202 38.095 38.460 -0.945 0.000 0.990 236 Y HN 0.098 8.378 8.280 0.000 0.000 0.537 237 S N 0.448 116.060 115.700 -0.146 0.000 2.413 237 S HA -0.445 nan 4.470 nan 0.000 0.237 237 S C 1.317 175.885 174.600 -0.054 0.000 1.044 237 S CA 4.440 62.609 58.200 -0.052 0.000 1.024 237 S CB -0.660 62.596 63.200 0.095 0.000 0.829 237 S HN 0.404 8.705 8.310 -0.016 0.000 0.475 238 L N -2.963 118.183 121.223 -0.128 0.000 2.456 238 L HA -0.222 nan 4.340 nan 0.000 0.224 238 L C 0.490 177.289 176.870 -0.119 0.000 1.148 238 L CA 1.980 56.771 54.840 -0.083 0.000 0.825 238 L CB -0.232 41.736 42.059 -0.152 0.000 0.937 238 L HN -0.739 7.242 8.230 -0.176 0.143 0.450 239 I N -9.264 111.117 120.570 -0.315 0.000 4.057 239 I HA 0.067 nan 4.170 nan 0.000 0.334 239 I C 0.992 176.943 176.117 -0.278 0.000 1.308 239 I CA 0.504 61.614 61.300 -0.316 0.000 1.125 239 I CB 0.549 38.278 38.000 -0.453 0.000 1.034 239 I HN -0.100 7.694 8.210 -0.468 0.135 0.401 240 Q N -0.085 119.557 119.800 -0.265 0.000 2.398 240 Q HA -0.091 nan 4.340 nan 0.000 0.204 240 Q C 0.146 176.111 176.000 -0.058 0.000 0.932 240 Q CA 1.154 56.869 55.803 -0.146 0.000 0.916 240 Q CB 0.728 29.402 28.738 -0.106 0.000 1.024 240 Q HN -0.560 7.412 8.270 -0.311 0.111 0.504 241 D N 0.005 120.393 120.400 -0.019 0.000 2.198 241 D HA 0.385 nan 4.640 nan 0.000 0.245 241 D C -1.241 175.032 176.300 -0.045 0.000 1.079 241 D CA -3.041 50.941 54.000 -0.031 0.000 0.854 241 D CB 2.659 43.428 40.800 -0.051 0.000 1.148 241 D HN -0.619 7.754 8.370 0.004 0.000 0.456 242 P HA -0.073 nan 4.420 nan 0.000 0.219 242 P C 1.372 178.637 177.300 -0.058 0.000 1.150 242 P CA 1.822 64.888 63.100 -0.056 0.000 0.814 242 P CB 0.632 32.300 31.700 -0.053 0.000 0.787 243 K N -0.935 119.409 120.400 -0.093 0.000 2.001 243 K HA -0.273 nan 4.320 nan 0.000 0.208 243 K C 2.505 179.106 176.600 0.002 0.000 1.048 243 K CA 3.021 59.256 56.287 -0.086 0.000 0.932 243 K CB -0.240 32.162 32.500 -0.163 0.000 0.715 243 K HN -0.566 7.725 8.250 -0.128 -0.118 0.437 244 Y N -1.906 118.358 120.300 -0.059 0.000 2.181 244 Y HA -0.313 nan 4.550 nan 0.000 0.288 244 Y C 2.377 178.217 175.900 -0.100 0.000 1.146 244 Y CA 1.196 59.256 58.100 -0.068 0.000 1.164 244 Y CB -0.451 37.980 38.460 -0.048 0.000 0.982 244 Y HN -0.611 7.899 8.280 -0.091 -0.284 0.515 245 L N -1.079 120.176 121.223 0.054 0.000 2.083 245 L HA -0.387 nan 4.340 nan 0.000 0.209 245 L C 1.483 178.310 176.870 -0.071 0.000 1.083 245 L CA 3.078 57.896 54.840 -0.037 0.000 0.752 245 L CB -0.450 41.575 42.059 -0.058 0.000 0.899 245 L HN 0.101 8.368 8.230 0.062 0.000 0.433 246 S N -0.503 115.155 115.700 -0.069 0.000 2.423 246 S HA -0.287 nan 4.470 nan 0.000 0.231 246 S C 2.149 176.645 174.600 -0.172 0.000 1.014 246 S CA 3.278 61.418 58.200 -0.100 0.000 0.965 246 S CB -0.698 62.452 63.200 -0.083 0.000 0.785 246 S HN -0.463 7.818 8.310 -0.048 0.000 0.495 247 I N 1.675 122.128 120.570 -0.196 0.000 2.277 247 I HA -0.351 nan 4.170 nan 0.000 0.243 247 I C 1.219 176.999 176.117 -0.561 0.000 1.094 247 I CA 3.636 64.694 61.300 -0.404 0.000 1.393 247 I CB -0.103 37.722 38.000 -0.292 0.000 1.078 247 I HN -0.636 7.380 8.210 -0.113 0.126 0.417 248 V N 0.627 120.354 119.914 -0.311 0.000 2.317 248 V HA -0.598 nan 4.120 nan 0.000 0.251 248 V C 2.035 177.986 176.094 -0.239 0.000 1.065 248 V CA 4.980 67.139 62.300 -0.234 0.000 1.049 248 V CB -1.323 30.471 31.823 -0.049 0.000 0.651 248 V HN 0.153 8.234 8.190 -0.182 0.000 0.450 249 K N -2.451 117.836 120.400 -0.188 0.000 2.148 249 K HA -0.345 nan 4.320 nan 0.000 0.204 249 K C 2.360 178.873 176.600 -0.146 0.000 1.050 249 K CA 3.558 59.767 56.287 -0.131 0.000 0.942 249 K CB -0.327 32.114 32.500 -0.100 0.000 0.724 249 K HN -0.349 7.790 8.250 -0.176 0.005 0.446 250 E N 0.150 120.206 120.200 -0.240 0.000 2.072 250 E HA -0.262 nan 4.350 nan 0.000 0.191 250 E C 2.569 179.104 176.600 -0.109 0.000 0.985 250 E CA 3.031 59.303 56.400 -0.213 0.000 0.801 250 E CB -0.240 29.256 29.700 -0.340 0.000 0.750 250 E HN -0.660 7.414 8.360 -0.301 0.105 0.452 251 Y N -2.399 117.736 120.300 -0.275 0.000 2.263 251 Y HA -0.211 nan 4.550 nan 0.000 0.292 251 Y C 2.461 178.223 175.900 -0.229 0.000 1.130 251 Y CA 0.718 58.601 58.100 -0.360 0.000 1.179 251 Y CB -0.638 37.211 38.460 -1.018 0.000 0.998 251 Y HN -0.324 7.616 8.280 -0.567 0.000 0.532 252 A N -0.841 121.958 122.820 -0.034 0.000 1.933 252 A HA -0.216 nan 4.320 nan 0.000 0.218 252 A C 1.216 178.812 177.584 0.020 0.000 1.175 252 A CA 2.497 54.558 52.037 0.040 0.000 0.628 252 A CB -0.428 18.592 19.000 0.033 0.000 0.814 252 A HN -0.225 7.847 8.150 -0.130 0.000 0.444 253 N N -4.192 114.508 118.700 0.001 0.000 2.412 253 N HA -0.045 nan 4.740 nan 0.000 0.184 253 N C -1.065 174.454 175.510 0.015 0.000 1.101 253 N CA 0.884 53.936 53.050 0.003 0.000 0.881 253 N CB 0.922 39.403 38.487 -0.010 0.000 0.969 253 N HN -0.559 7.724 8.380 -0.020 0.085 0.459 254 D N -0.684 119.740 120.400 0.039 0.000 2.337 254 D HA 0.199 nan 4.640 nan 0.000 0.238 254 D C -0.614 175.727 176.300 0.068 0.000 1.331 254 D CA -0.114 53.913 54.000 0.045 0.000 0.967 254 D CB 0.665 41.502 40.800 0.062 0.000 1.382 254 D HN -0.896 7.322 8.370 0.054 0.185 0.549 255 Q N 4.624 124.417 119.800 -0.010 0.000 2.135 255 Q HA -0.401 nan 4.340 nan 0.000 0.204 255 Q C 1.154 176.995 176.000 -0.265 0.000 0.981 255 Q CA 3.608 59.351 55.803 -0.100 0.000 0.856 255 Q CB 0.170 28.756 28.738 -0.253 0.000 0.902 255 Q HN 0.468 8.723 8.270 -0.025 0.000 0.425 256 D N -1.475 118.809 120.400 -0.193 0.000 2.117 256 D HA -0.266 nan 4.640 nan 0.000 0.197 256 D C 1.952 178.273 176.300 0.035 0.000 0.987 256 D CA 3.388 57.322 54.000 -0.109 0.000 0.829 256 D CB -0.588 40.187 40.800 -0.042 0.000 0.961 256 D HN -0.218 8.136 8.370 -0.141 -0.069 0.460 257 K N 0.144 120.593 120.400 0.081 0.000 2.057 257 K HA -0.226 nan 4.320 nan 0.000 0.207 257 K C 2.005 178.703 176.600 0.164 0.000 1.049 257 K CA 2.199 58.579 56.287 0.155 0.000 0.931 257 K CB -0.326 32.296 32.500 0.203 0.000 0.714 257 K HN -0.843 7.677 8.250 0.064 -0.231 0.440 258 F N 1.201 121.108 119.950 -0.072 0.000 2.095 258 F HA -0.371 nan 4.527 nan 0.000 0.298 258 F C 1.716 177.583 175.800 0.112 0.000 1.104 258 F CA 2.416 60.196 58.000 -0.367 0.000 1.232 258 F CB -0.269 38.567 39.000 -0.274 0.000 0.987 258 F HN -0.354 8.084 8.300 0.231 0.000 0.475 259 F N -1.012 118.744 119.950 -0.323 0.000 2.095 259 F HA -0.455 nan 4.527 nan 0.000 0.298 259 F C 2.225 177.948 175.800 -0.129 0.000 1.104 259 F CA 1.739 59.567 58.000 -0.287 0.000 1.232 259 F CB -0.983 37.954 39.000 -0.105 0.000 0.987 259 F HN 0.310 8.695 8.300 0.141 0.000 0.475 260 K N -0.349 120.139 120.400 0.147 0.000 2.057 260 K HA -0.434 nan 4.320 nan 0.000 0.207 260 K C 1.986 178.626 176.600 0.066 0.000 1.049 260 K CA 3.777 60.119 56.287 0.092 0.000 0.931 260 K CB -0.202 32.356 32.500 0.096 0.000 0.714 260 K HN 0.058 8.413 8.250 0.176 0.000 0.440 261 D N -0.818 119.624 120.400 0.070 0.000 2.162 261 D HA -0.142 nan 4.640 nan 0.000 0.203 261 D C 2.330 178.665 176.300 0.058 0.000 0.967 261 D CA 2.957 57.008 54.000 0.084 0.000 0.840 261 D CB -0.290 40.613 40.800 0.172 0.000 0.972 261 D HN -0.396 8.014 8.370 0.066 0.000 0.482 262 F N 1.454 121.321 119.950 -0.139 0.000 2.134 262 F HA -0.378 nan 4.527 nan 0.000 0.299 262 F C 1.415 177.182 175.800 -0.055 0.000 1.097 262 F CA 3.399 61.321 58.000 -0.131 0.000 1.264 262 F CB 0.465 39.250 39.000 -0.358 0.000 1.001 262 F HN 0.249 8.548 8.300 -0.000 0.000 0.479 263 S N -0.502 115.222 115.700 0.040 0.000 2.354 263 S HA -0.473 nan 4.470 nan 0.000 0.219 263 S C 1.922 176.502 174.600 -0.034 0.000 1.035 263 S CA 4.208 62.415 58.200 0.012 0.000 1.037 263 S CB -0.163 63.048 63.200 0.018 0.000 0.956 263 S HN -0.003 8.357 8.310 0.083 0.000 0.428 264 K N 0.487 120.872 120.400 -0.025 0.000 2.044 264 K HA -0.389 nan 4.320 nan 0.000 0.210 264 K C 2.311 178.879 176.600 -0.053 0.000 1.049 264 K CA 3.228 59.496 56.287 -0.032 0.000 0.927 264 K CB -0.038 32.459 32.500 -0.005 0.000 0.713 264 K HN -0.689 7.560 8.250 -0.003 0.000 0.443 265 A N -1.556 121.219 122.820 -0.074 0.000 1.970 265 A HA -0.090 nan 4.320 nan 0.000 0.216 265 A C 2.076 179.605 177.584 -0.092 0.000 1.170 265 A CA 2.651 54.644 52.037 -0.074 0.000 0.645 265 A CB -0.668 18.294 19.000 -0.064 0.000 0.816 265 A HN -0.176 7.929 8.150 -0.075 0.000 0.447 266 F N 0.237 119.936 119.950 -0.419 0.000 2.163 266 F HA -0.328 nan 4.527 nan 0.000 0.297 266 F C 1.275 176.986 175.800 -0.149 0.000 1.094 266 F CA 2.036 59.800 58.000 -0.394 0.000 1.290 266 F CB 0.396 38.950 39.000 -0.743 0.000 1.017 266 F HN 0.235 8.382 8.300 -0.256 0.000 0.483 267 E N 0.046 120.137 120.200 -0.182 0.000 2.038 267 E HA -0.545 nan 4.350 nan 0.000 0.195 267 E C 1.792 178.288 176.600 -0.174 0.000 1.000 267 E CA 3.620 59.907 56.400 -0.188 0.000 0.803 267 E CB -0.206 29.424 29.700 -0.117 0.000 0.750 267 E HN -0.341 7.972 8.360 -0.078 0.000 0.448 268 K N -0.995 119.333 120.400 -0.120 0.000 2.103 268 K HA -0.332 nan 4.320 nan 0.000 0.207 268 K C 2.483 179.019 176.600 -0.106 0.000 1.048 268 K CA 2.991 59.219 56.287 -0.098 0.000 0.930 268 K CB -0.091 32.381 32.500 -0.047 0.000 0.716 268 K HN -0.578 7.613 8.250 -0.099 0.000 0.444 269 L N -1.499 119.679 121.223 -0.075 0.000 2.046 269 L HA -0.261 nan 4.340 nan 0.000 0.208 269 L C 1.968 178.781 176.870 -0.095 0.000 1.077 269 L CA 2.880 57.713 54.840 -0.013 0.000 0.747 269 L CB -0.074 42.054 42.059 0.116 0.000 0.896 269 L HN -0.373 7.742 8.230 -0.074 0.070 0.432 270 L N -4.064 117.041 121.223 -0.197 0.000 2.217 270 L HA -0.215 nan 4.340 nan 0.000 0.211 270 L C 2.082 178.870 176.870 -0.138 0.000 1.107 270 L CA 2.387 57.121 54.840 -0.177 0.000 0.783 270 L CB 0.067 41.980 42.059 -0.242 0.000 0.919 270 L HN -0.220 7.846 8.230 -0.273 0.000 0.442 271 E N -3.212 116.894 120.200 -0.156 0.000 2.481 271 E HA 0.029 nan 4.350 nan 0.000 0.198 271 E C -0.360 176.100 176.600 -0.232 0.000 1.027 271 E CA -0.366 55.975 56.400 -0.099 0.000 0.900 271 E CB 0.423 30.105 29.700 -0.030 0.000 0.993 271 E HN -0.448 7.809 8.360 -0.173 0.000 0.482 272 D N 0.805 120.946 120.400 -0.430 0.000 2.455 272 D HA -0.162 nan 4.640 nan 0.000 0.241 272 D C 0.433 176.021 176.300 -1.187 0.000 1.138 272 D CA 1.981 55.417 54.000 -0.941 0.000 0.877 272 D CB 0.253 40.227 40.800 -1.376 0.000 1.187 272 D HN -0.752 7.416 8.370 -0.337 0.000 0.451 273 G N 0.603 108.722 108.800 -1.135 0.000 2.179 273 G HA2 -0.358 nan 3.960 nan 0.000 0.260 273 G HA3 -0.358 nan 3.960 nan 0.000 0.260 273 G C -1.218 173.574 174.900 -0.180 0.000 0.977 273 G CA 0.762 45.619 45.100 -0.405 0.000 0.641 273 G HN 0.374 8.045 8.290 -1.031 0.000 0.533 274 I N 0.387 120.788 120.570 -0.282 0.000 2.389 274 I HA 0.263 nan 4.170 nan 0.000 0.288 274 I C -1.097 174.748 176.117 -0.453 0.000 0.999 274 I CA -1.484 59.593 61.300 -0.372 0.000 1.129 274 I CB 1.007 38.766 38.000 -0.401 0.000 1.288 274 I HN -0.731 7.237 8.210 -0.316 0.053 0.444 275 T N 8.798 123.088 114.554 -0.441 0.000 2.780 275 T HA 0.280 nan 4.350 nan 0.000 0.294 275 T C -1.081 173.286 174.700 -0.555 0.000 0.949 275 T CA -0.136 61.748 62.100 -0.361 0.000 1.074 275 T CB 0.358 69.099 68.868 -0.212 0.000 0.910 275 T HN 0.582 8.583 8.240 -0.398 0.000 0.501 276 F N 6.365 126.270 119.950 -0.075 0.000 2.385 276 F HA 0.317 nan 4.527 nan 0.000 0.360 276 F C -1.373 174.390 175.800 -0.062 0.000 1.122 276 F CA -3.236 54.717 58.000 -0.079 0.000 1.090 276 F CB 0.166 39.095 39.000 -0.119 0.000 1.150 276 F HN 0.265 8.550 8.300 -0.026 0.000 0.472 277 P HA 0.094 nan 4.420 nan 0.000 0.272 277 P C -0.038 177.289 177.300 0.044 0.000 1.223 277 P CA -0.840 62.279 63.100 0.032 0.000 0.784 277 P CB 0.898 32.609 31.700 0.019 0.000 0.923 278 K N 1.564 121.977 120.400 0.023 0.000 2.525 278 K HA -0.097 nan 4.320 nan 0.000 0.192 278 K C -0.321 176.284 176.600 0.007 0.000 1.029 278 K CA 1.635 57.929 56.287 0.012 0.000 1.029 278 K CB -0.162 32.338 32.500 0.001 0.000 0.814 278 K HN 0.407 8.666 8.250 0.015 0.000 0.503 279 D N -2.661 117.748 120.400 0.016 0.000 2.269 279 D HA -0.111 nan 4.640 nan 0.000 0.208 279 D C 0.073 176.385 176.300 0.020 0.000 0.963 279 D CA 0.043 54.053 54.000 0.017 0.000 0.864 279 D CB -0.948 39.865 40.800 0.022 0.000 0.936 279 D HN -0.374 7.960 8.370 0.019 0.048 0.505 280 A N 1.922 124.759 122.820 0.028 0.000 2.561 280 A HA -0.060 nan 4.320 nan 0.000 0.234 280 A C -1.313 176.248 177.584 -0.040 0.000 1.055 280 A CA -0.996 51.055 52.037 0.023 0.000 0.756 280 A CB -0.122 18.925 19.000 0.079 0.000 0.986 280 A HN -0.442 7.578 8.150 0.037 0.152 0.505 281 P HA -0.066 nan 4.420 nan 0.000 0.265 281 P C -0.902 176.224 177.300 -0.290 0.000 1.187 281 P CA -0.101 62.921 63.100 -0.130 0.000 0.766 281 P CB 0.646 32.295 31.700 -0.085 0.000 0.820 282 S N 2.502 118.058 115.700 -0.241 0.000 2.559 282 S HA -0.007 nan 4.470 nan 0.000 0.282 282 S C -0.778 173.536 174.600 -0.477 0.000 1.336 282 S CA -0.633 57.392 58.200 -0.290 0.000 1.037 282 S CB -0.166 62.921 63.200 -0.188 0.000 0.853 282 S HN 0.034 8.259 8.310 -0.142 0.000 0.523 283 P HA -0.022 nan 4.420 nan 0.000 0.264 283 P C -1.282 175.788 177.300 -0.383 0.000 1.183 283 P CA 0.061 62.845 63.100 -0.526 0.000 0.763 283 P CB 0.399 31.863 31.700 -0.392 0.000 0.807 284 F N 3.510 123.297 119.950 -0.272 0.000 2.443 284 F HA 0.008 nan 4.527 nan 0.000 0.353 284 F C 0.072 175.541 175.800 -0.551 0.000 1.101 284 F CA -0.870 56.875 58.000 -0.424 0.000 1.226 284 F CB 0.601 39.335 39.000 -0.444 0.000 1.140 284 F HN 0.370 8.335 8.300 -0.558 0.000 0.557 285 I N 3.895 124.276 120.570 -0.315 0.000 2.287 285 I HA 0.083 nan 4.170 nan 0.000 0.290 285 I C -0.940 175.021 176.117 -0.260 0.000 1.069 285 I CA -1.535 59.612 61.300 -0.255 0.000 1.237 285 I CB -1.059 36.855 38.000 -0.144 0.000 1.418 285 I HN 0.432 8.460 8.210 -0.302 0.000 0.481 286 F N 6.640 126.620 119.950 0.049 0.000 2.429 286 F HA -0.026 nan 4.527 nan 0.000 0.348 286 F C -0.116 175.535 175.800 -0.249 0.000 1.109 286 F CA -0.751 57.171 58.000 -0.130 0.000 1.232 286 F CB 0.253 38.947 39.000 -0.508 0.000 1.157 286 F HN 0.244 8.356 8.300 -0.313 0.000 0.564 287 K N 3.767 124.165 120.400 -0.003 0.000 2.326 287 K HA 0.081 nan 4.320 nan 0.000 0.275 287 K C 0.163 176.653 176.600 -0.184 0.000 1.018 287 K CA 0.562 56.813 56.287 -0.060 0.000 0.962 287 K CB 0.461 32.963 32.500 0.004 0.000 0.953 287 K HN 0.071 8.407 8.250 0.144 0.000 0.475 288 T N -2.163 112.390 114.554 -0.002 0.000 2.868 288 T HA 0.184 nan 4.350 nan 0.000 0.292 288 T C 1.568 176.338 174.700 0.117 0.000 1.028 288 T CA -1.016 61.165 62.100 0.135 0.000 1.059 288 T CB 1.229 70.181 68.868 0.140 0.000 0.991 288 T HN 0.132 8.740 8.240 0.024 -0.354 0.531 289 L N 1.131 122.455 121.223 0.169 0.000 2.021 289 L HA -0.477 nan 4.340 nan 0.000 0.215 289 L C 2.074 178.986 176.870 0.071 0.000 1.074 289 L CA 3.902 58.805 54.840 0.105 0.000 0.760 289 L CB -0.594 41.524 42.059 0.098 0.000 0.889 289 L HN -0.070 8.511 8.230 0.257 -0.197 0.433 290 E N -1.467 118.777 120.200 0.074 0.000 2.077 290 E HA -0.334 nan 4.350 nan 0.000 0.193 290 E C 2.382 179.011 176.600 0.049 0.000 0.989 290 E CA 2.853 59.288 56.400 0.058 0.000 0.800 290 E CB -0.551 29.186 29.700 0.061 0.000 0.746 290 E HN 0.230 8.634 8.360 0.089 0.010 0.452 291 E N -1.991 118.239 120.200 0.050 0.000 2.150 291 E HA -0.180 nan 4.350 nan 0.000 0.193 291 E C 1.406 178.026 176.600 0.034 0.000 0.985 291 E CA 2.115 58.539 56.400 0.040 0.000 0.814 291 E CB 0.063 29.785 29.700 0.037 0.000 0.752 291 E HN -0.593 7.677 8.360 0.060 0.125 0.466 292 Q N -3.229 116.592 119.800 0.034 0.000 2.392 292 Q HA 0.000 nan 4.340 nan 0.000 0.203 292 Q C 0.848 176.865 176.000 0.028 0.000 0.917 292 Q CA -0.097 55.723 55.803 0.028 0.000 0.939 292 Q CB 0.952 29.704 28.738 0.023 0.000 1.063 292 Q HN -0.497 7.668 8.270 0.041 0.129 0.516 293 G N -1.697 107.122 108.800 0.032 0.000 2.176 293 G HA2 -0.389 nan 3.960 nan 0.000 0.252 293 G HA3 -0.389 nan 3.960 nan 0.000 0.252 293 G C -0.981 173.937 174.900 0.029 0.000 1.024 293 G CA 0.580 45.698 45.100 0.029 0.000 0.755 293 G HN -0.282 7.855 8.290 0.036 0.175 0.507 294 L N 0.000 121.244 121.223 0.034 0.000 2.949 294 L HA 0.000 nan 4.340 nan 0.000 0.249 294 L CA 0.000 54.860 54.840 0.034 0.000 0.813 294 L CB 0.000 42.080 42.059 0.035 0.000 0.961 294 L HN 0.000 8.125 8.230 0.040 0.129 0.502