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 1aef_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 0.000 176.656 176.870 -0.356 0.000 1.165 4 L CA 0.000 54.703 54.840 -0.228 0.000 0.813 4 L CB 0.000 41.924 42.059 -0.225 0.000 0.961 5 V N 2.988 122.674 119.914 -0.379 0.000 2.513 5 V HA 0.283 nan 4.120 nan 0.000 0.299 5 V C -1.064 174.724 176.094 -0.511 0.000 1.035 5 V CA -1.286 60.801 62.300 -0.355 0.000 0.889 5 V CB 1.499 33.211 31.823 -0.185 0.000 0.988 5 V HN 0.025 8.036 8.190 -0.298 0.000 0.440 6 H N 5.831 124.702 119.070 -0.331 0.000 2.860 6 H HA 0.290 nan 4.556 nan 0.000 0.312 6 H C -1.564 173.433 175.328 -0.551 0.000 0.995 6 H CA -1.061 54.585 56.048 -0.671 0.000 1.311 6 H CB 1.286 30.339 29.762 -1.181 0.000 1.478 6 H HN 0.455 8.548 8.280 -0.311 0.000 0.508 7 V N 4.278 124.079 119.914 -0.189 0.000 2.407 7 V HA 0.352 nan 4.120 nan 0.000 0.278 7 V C -0.610 175.512 176.094 0.046 0.000 1.037 7 V CA -1.499 60.743 62.300 -0.098 0.000 0.900 7 V CB 0.651 32.448 31.823 -0.043 0.000 0.983 7 V HN 0.725 8.848 8.190 -0.113 0.000 0.459 8 A N 8.211 130.982 122.820 -0.080 0.000 2.545 8 A HA 0.023 nan 4.320 nan 0.000 0.253 8 A C -1.397 176.218 177.584 0.053 0.000 1.074 8 A CA 0.648 52.667 52.037 -0.029 0.000 0.760 8 A CB -0.074 18.769 19.000 -0.262 0.000 1.005 8 A HN 0.654 8.642 8.150 -0.271 0.000 0.506 9 S N 4.641 120.391 115.700 0.084 0.000 2.669 9 S HA 0.104 nan 4.470 nan 0.000 0.315 9 S C -0.729 173.936 174.600 0.108 0.000 1.106 9 S CA -1.192 57.062 58.200 0.090 0.000 1.107 9 S CB 0.966 64.222 63.200 0.094 0.000 0.990 9 S HN 0.056 8.336 8.310 0.084 0.081 0.471 10 V N 6.050 126.039 119.914 0.126 0.000 2.617 10 V HA -0.120 nan 4.120 nan 0.000 0.304 10 V C 0.410 176.624 176.094 0.201 0.000 1.040 10 V CA 0.262 62.675 62.300 0.190 0.000 1.149 10 V CB 0.164 32.107 31.823 0.199 0.000 0.914 10 V HN 0.201 8.456 8.190 0.109 0.000 0.487 11 E N 5.653 126.025 120.200 0.286 0.000 2.608 11 E HA -0.253 nan 4.350 nan 0.000 0.259 11 E C -0.280 176.396 176.600 0.126 0.000 0.951 11 E CA 0.916 57.464 56.400 0.247 0.000 0.945 11 E CB 0.492 30.434 29.700 0.404 0.000 0.916 11 E HN 0.276 8.866 8.360 0.383 0.000 0.477 12 K N 6.290 126.735 120.400 0.075 0.000 2.437 12 K HA -0.319 nan 4.320 nan 0.000 0.277 12 K C 0.599 177.173 176.600 -0.043 0.000 1.073 12 K CA 1.427 57.729 56.287 0.024 0.000 1.105 12 K CB -0.090 32.422 32.500 0.021 0.000 0.881 12 K HN 0.531 8.839 8.250 0.096 0.000 0.475 13 G N 4.457 113.245 108.800 -0.020 0.000 2.189 13 G HA2 -0.406 nan 3.960 nan 0.000 0.267 13 G HA3 -0.406 nan 3.960 nan 0.000 0.267 13 G C 0.145 174.985 174.900 -0.099 0.000 0.975 13 G CA 0.358 45.428 45.100 -0.050 0.000 0.644 13 G HN 0.522 8.824 8.290 0.020 0.000 0.537 14 R N 0.406 120.831 120.500 -0.126 0.000 2.539 14 R HA 0.221 nan 4.340 nan 0.000 0.275 14 R C -0.486 175.841 176.300 0.045 0.000 1.077 14 R CA -0.819 55.144 56.100 -0.228 0.000 1.097 14 R CB 0.325 30.357 30.300 -0.448 0.000 1.018 14 R HN -0.357 7.798 8.270 -0.066 0.075 0.483 15 S N 3.109 118.824 115.700 0.025 0.000 2.851 15 S HA 0.321 nan 4.470 nan 0.000 0.313 15 S C -0.067 174.631 174.600 0.163 0.000 1.163 15 S CA -1.148 57.184 58.200 0.220 0.000 0.850 15 S CB 2.100 65.383 63.200 0.138 0.000 1.245 15 S HN 0.270 8.813 8.310 -0.170 -0.335 0.558 16 Y N 2.610 122.838 120.300 -0.119 0.000 2.096 16 Y HA -0.490 nan 4.550 nan 0.000 0.278 16 Y C 1.179 177.006 175.900 -0.122 0.000 1.192 16 Y CA 4.296 62.133 58.100 -0.439 0.000 1.143 16 Y CB 0.054 38.335 38.460 -0.299 0.000 0.963 16 Y HN 0.521 8.952 8.280 0.251 0.000 0.505 17 E N -3.191 116.867 120.200 -0.236 0.000 2.153 17 E HA -0.387 nan 4.350 nan 0.000 0.194 17 E C 2.554 178.998 176.600 -0.261 0.000 0.988 17 E CA 3.168 59.397 56.400 -0.285 0.000 0.811 17 E CB -0.831 28.822 29.700 -0.078 0.000 0.746 17 E HN -0.061 8.308 8.360 0.014 0.000 0.466 18 D N 0.027 120.268 120.400 -0.265 0.000 2.097 18 D HA -0.217 nan 4.640 nan 0.000 0.197 18 D C 2.384 178.528 176.300 -0.261 0.000 0.984 18 D CA 3.502 57.318 54.000 -0.308 0.000 0.826 18 D CB -0.150 40.264 40.800 -0.644 0.000 0.973 18 D HN -0.505 7.695 8.370 -0.244 0.024 0.460 19 F N -0.982 118.933 119.950 -0.058 0.000 2.259 19 F HA -0.174 nan 4.527 nan 0.000 0.298 19 F C 1.938 177.471 175.800 -0.445 0.000 1.088 19 F CA 3.132 61.065 58.000 -0.112 0.000 1.358 19 F CB -0.338 38.766 39.000 0.174 0.000 1.040 19 F HN -0.877 7.295 8.300 -0.213 0.000 0.505 20 Q N -0.329 119.307 119.800 -0.274 0.000 2.170 20 Q HA -0.340 nan 4.340 nan 0.000 0.203 20 Q C 2.025 177.869 176.000 -0.261 0.000 0.976 20 Q CA 3.167 58.755 55.803 -0.358 0.000 0.858 20 Q CB -0.639 27.818 28.738 -0.468 0.000 0.907 20 Q HN 0.264 8.364 8.270 -0.284 0.000 0.433 21 K N -0.312 119.938 120.400 -0.251 0.000 2.057 21 K HA -0.297 nan 4.320 nan 0.000 0.206 21 K C 2.392 178.733 176.600 -0.431 0.000 1.050 21 K CA 3.483 59.644 56.287 -0.209 0.000 0.935 21 K CB -0.100 32.347 32.500 -0.087 0.000 0.715 21 K HN -0.392 7.624 8.250 -0.251 0.083 0.439 22 V N 0.379 119.858 119.914 -0.726 0.000 2.295 22 V HA -0.373 nan 4.120 nan 0.000 0.246 22 V C 1.660 177.457 176.094 -0.494 0.000 1.049 22 V CA 4.467 66.239 62.300 -0.880 0.000 1.024 22 V CB -1.035 30.286 31.823 -0.836 0.000 0.648 22 V HN -0.469 7.291 8.190 -0.611 0.063 0.447 23 Y N -0.231 119.707 120.300 -0.604 0.000 2.040 23 Y HA -0.676 nan 4.550 nan 0.000 0.275 23 Y C 1.587 177.304 175.900 -0.304 0.000 1.171 23 Y CA 4.169 61.947 58.100 -0.537 0.000 1.123 23 Y CB -0.200 37.797 38.460 -0.772 0.000 0.963 23 Y HN 0.390 8.380 8.280 -0.482 0.000 0.493 24 N N -1.571 117.140 118.700 0.019 0.000 2.149 24 N HA -0.533 nan 4.740 nan 0.000 0.188 24 N C 2.072 177.545 175.510 -0.062 0.000 1.019 24 N CA 2.941 56.007 53.050 0.027 0.000 0.857 24 N CB -0.138 38.376 38.487 0.046 0.000 0.997 24 N HN -0.061 8.334 8.380 0.025 0.000 0.426 25 A N 0.779 123.545 122.820 -0.090 0.000 1.877 25 A HA -0.272 nan 4.320 nan 0.000 0.216 25 A C 1.965 179.479 177.584 -0.116 0.000 1.186 25 A CA 3.107 55.113 52.037 -0.053 0.000 0.620 25 A CB -0.670 18.363 19.000 0.055 0.000 0.822 25 A HN -0.246 7.825 8.150 -0.131 0.000 0.443 26 I N -1.366 119.096 120.570 -0.180 0.000 2.163 26 I HA -0.610 nan 4.170 nan 0.000 0.243 26 I C 1.839 177.908 176.117 -0.079 0.000 1.085 26 I CA 4.072 65.294 61.300 -0.129 0.000 1.347 26 I CB -0.288 37.591 38.000 -0.202 0.000 1.044 26 I HN -0.280 7.790 8.210 -0.234 0.000 0.408 27 A N -0.357 122.335 122.820 -0.213 0.000 1.933 27 A HA -0.262 nan 4.320 nan 0.000 0.218 27 A C 2.226 179.792 177.584 -0.031 0.000 1.175 27 A CA 3.209 55.153 52.037 -0.155 0.000 0.628 27 A CB -0.673 18.194 19.000 -0.221 0.000 0.814 27 A HN 0.171 8.118 8.150 -0.339 0.000 0.444 28 L N -1.936 119.270 121.223 -0.029 0.000 2.056 28 L HA -0.264 nan 4.340 nan 0.000 0.207 28 L C 1.884 178.756 176.870 0.004 0.000 1.078 28 L CA 2.353 57.191 54.840 -0.003 0.000 0.749 28 L CB -0.798 41.254 42.059 -0.012 0.000 0.901 28 L HN 0.182 8.377 8.230 -0.059 0.000 0.433 29 K N 0.003 120.386 120.400 -0.027 0.000 2.217 29 K HA -0.236 nan 4.320 nan 0.000 0.202 29 K C 2.498 179.203 176.600 0.176 0.000 1.051 29 K CA 3.255 59.511 56.287 -0.051 0.000 0.952 29 K CB -0.197 32.097 32.500 -0.344 0.000 0.736 29 K HN -0.417 7.798 8.250 -0.057 0.000 0.453 30 L N -1.926 119.466 121.223 0.281 0.000 2.083 30 L HA -0.364 nan 4.340 nan 0.000 0.209 30 L C 1.775 178.752 176.870 0.178 0.000 1.083 30 L CA 2.965 57.961 54.840 0.261 0.000 0.752 30 L CB -0.319 41.810 42.059 0.118 0.000 0.899 30 L HN 0.130 8.493 8.230 0.222 0.000 0.433 31 R N -2.667 117.905 120.500 0.121 0.000 2.073 31 R HA -0.213 nan 4.340 nan 0.000 0.229 31 R C 1.932 178.298 176.300 0.110 0.000 1.120 31 R CA 2.447 58.608 56.100 0.102 0.000 0.967 31 R CB 0.179 30.522 30.300 0.072 0.000 0.862 31 R HN -0.776 7.543 8.270 0.099 0.010 0.436 32 E N -1.000 119.259 120.200 0.097 0.000 2.028 32 E HA -0.190 nan 4.350 nan 0.000 0.190 32 E C 1.731 178.403 176.600 0.120 0.000 0.984 32 E CA 2.374 58.825 56.400 0.084 0.000 0.800 32 E CB 0.363 30.085 29.700 0.038 0.000 0.758 32 E HN -0.511 7.900 8.360 0.085 0.000 0.448 33 D N 0.558 121.062 120.400 0.173 0.000 2.994 33 D HA 0.137 nan 4.640 nan 0.000 0.240 33 D C 0.077 176.550 176.300 0.287 0.000 1.195 33 D CA -0.360 53.791 54.000 0.251 0.000 0.957 33 D CB -1.931 39.074 40.800 0.343 0.000 1.105 33 D HN -0.078 8.399 8.370 0.178 0.000 0.477 34 D N -1.097 119.408 120.400 0.174 0.000 2.317 34 D HA -0.245 nan 4.640 nan 0.000 0.211 34 D C 0.104 176.355 176.300 -0.082 0.000 0.966 34 D CA 2.082 56.157 54.000 0.126 0.000 0.876 34 D CB -0.175 40.732 40.800 0.179 0.000 0.927 34 D HN -0.267 8.113 8.370 0.157 0.085 0.519 35 E N -2.503 117.548 120.200 -0.248 0.000 2.285 35 E HA -0.273 nan 4.350 nan 0.000 0.194 35 E C 0.320 176.599 176.600 -0.535 0.000 0.997 35 E CA 0.052 55.960 56.400 -0.819 0.000 0.845 35 E CB -1.023 28.387 29.700 -0.482 0.000 0.782 35 E HN 0.106 8.385 8.360 -0.056 0.047 0.491 36 Y N 4.181 124.269 120.300 -0.353 0.000 2.895 36 Y HA -0.382 nan 4.550 nan 0.000 0.334 36 Y C -1.046 174.649 175.900 -0.341 0.000 1.261 36 Y CA 1.532 59.396 58.100 -0.393 0.000 1.560 36 Y CB 0.223 38.209 38.460 -0.791 0.000 1.253 36 Y HN -0.959 7.284 8.280 -0.000 0.037 0.582 37 D N 6.627 126.398 120.400 -1.048 0.000 2.737 37 D HA -0.489 nan 4.640 nan 0.000 0.238 37 D C -0.934 175.165 176.300 -0.335 0.000 1.157 37 D CA 1.054 54.604 54.000 -0.751 0.000 0.694 37 D CB -0.876 39.353 40.800 -0.951 0.000 1.021 37 D HN 0.474 8.286 8.370 -0.931 0.000 0.420 38 N N -2.606 115.955 118.700 -0.233 0.000 2.688 38 N HA -0.432 nan 4.740 nan 0.000 0.258 38 N C -0.858 174.703 175.510 0.085 0.000 1.016 38 N CA 1.349 54.374 53.050 -0.042 0.000 0.747 38 N CB -1.026 37.467 38.487 0.009 0.000 0.895 38 N HN 0.407 8.628 8.380 -0.265 0.000 0.543 39 Y N -8.820 111.444 120.300 -0.059 0.000 4.604 39 Y HA -0.490 nan 4.550 nan 0.000 0.230 39 Y C 0.231 176.120 175.900 -0.019 0.000 1.066 39 Y CA 1.521 59.609 58.100 -0.019 0.000 1.990 39 Y CB -2.004 36.456 38.460 0.000 0.000 1.619 39 Y HN -0.197 7.716 8.280 -0.464 0.089 0.649 40 I N -2.418 118.145 120.570 -0.012 0.000 2.353 40 I HA -0.316 nan 4.170 nan 0.000 0.248 40 I C 0.723 176.853 176.117 0.021 0.000 1.119 40 I CA 1.932 63.232 61.300 0.001 0.000 1.417 40 I CB 0.590 38.562 38.000 -0.047 0.000 1.078 40 I HN -0.581 7.399 8.210 -0.091 0.176 0.421 41 G N -2.972 105.823 108.800 -0.008 0.000 2.757 41 G HA2 -0.287 nan 3.960 nan 0.000 0.638 41 G HA3 -0.287 nan 3.960 nan 0.000 0.638 41 G C -0.592 174.364 174.900 0.094 0.000 1.344 41 G CA -0.577 44.564 45.100 0.068 0.000 0.855 41 G HN -0.446 7.763 8.290 -0.102 0.021 0.537 42 Y N 0.085 120.406 120.300 0.034 0.000 2.561 42 Y HA -0.169 nan 4.550 nan 0.000 0.291 42 Y C 1.547 177.290 175.900 -0.263 0.000 1.141 42 Y CA 2.224 60.174 58.100 -0.249 0.000 1.303 42 Y CB -0.232 37.722 38.460 -0.843 0.000 1.015 42 Y HN 0.515 8.952 8.280 0.263 0.000 0.547 43 G N 0.068 108.855 108.800 -0.023 0.000 2.514 43 G HA2 -0.322 nan 3.960 nan 0.000 0.217 43 G HA3 -0.322 nan 3.960 nan 0.000 0.217 43 G C -1.296 173.606 174.900 0.003 0.000 1.198 43 G CA 2.390 47.469 45.100 -0.035 0.000 0.780 43 G HN 0.623 8.877 8.290 0.021 0.049 0.565 44 P HA -0.219 nan 4.420 nan 0.000 0.215 44 P C 0.988 178.331 177.300 0.070 0.000 1.157 44 P CA 2.666 65.802 63.100 0.059 0.000 0.868 44 P CB -0.631 31.104 31.700 0.060 0.000 0.788 45 V N -3.211 116.746 119.914 0.071 0.000 2.594 45 V HA -0.314 nan 4.120 nan 0.000 0.253 45 V C 1.672 177.769 176.094 0.005 0.000 1.069 45 V CA 3.026 65.356 62.300 0.050 0.000 1.082 45 V CB -0.583 31.285 31.823 0.075 0.000 0.680 45 V HN -0.161 8.085 8.190 0.092 0.000 0.469 46 L N -1.615 119.594 121.223 -0.023 0.000 2.109 46 L HA -0.261 nan 4.340 nan 0.000 0.207 46 L C 1.896 178.806 176.870 0.067 0.000 1.086 46 L CA 3.111 57.932 54.840 -0.032 0.000 0.760 46 L CB -0.452 41.541 42.059 -0.110 0.000 0.910 46 L HN -0.468 7.643 8.230 -0.037 0.098 0.437 47 V N -1.295 118.686 119.914 0.111 0.000 2.667 47 V HA -0.349 nan 4.120 nan 0.000 0.252 47 V C 1.248 177.523 176.094 0.300 0.000 1.065 47 V CA 3.351 65.793 62.300 0.237 0.000 1.083 47 V CB -0.773 31.142 31.823 0.153 0.000 0.692 47 V HN 0.064 8.297 8.190 0.072 0.000 0.468 48 R N 0.665 121.290 120.500 0.208 0.000 2.092 48 R HA -0.297 nan 4.340 nan 0.000 0.231 48 R C 1.778 178.121 176.300 0.073 0.000 1.119 48 R CA 3.437 59.680 56.100 0.238 0.000 0.970 48 R CB -0.075 30.282 30.300 0.095 0.000 0.864 48 R HN -0.152 8.204 8.270 0.143 0.000 0.440 49 L N -0.862 120.336 121.223 -0.042 0.000 2.017 49 L HA -0.308 nan 4.340 nan 0.000 0.208 49 L C 1.161 177.983 176.870 -0.080 0.000 1.073 49 L CA 3.005 57.728 54.840 -0.195 0.000 0.745 49 L CB -0.505 41.410 42.059 -0.240 0.000 0.894 49 L HN -0.017 8.202 8.230 -0.018 0.000 0.432 50 A N -1.459 121.421 122.820 0.100 0.000 1.972 50 A HA -0.277 nan 4.320 nan 0.000 0.219 50 A C 1.994 179.720 177.584 0.237 0.000 1.169 50 A CA 2.826 54.962 52.037 0.165 0.000 0.635 50 A CB -0.797 18.347 19.000 0.240 0.000 0.810 50 A HN -0.330 7.901 8.150 0.134 0.000 0.446 51 W N -0.936 120.508 121.300 0.240 0.000 2.379 51 W HA -0.427 nan 4.660 nan 0.000 0.307 51 W C 1.342 178.024 176.519 0.272 0.000 1.200 51 W CA 3.081 60.601 57.345 0.292 0.000 1.297 51 W CB 0.053 29.737 29.460 0.373 0.000 1.140 51 W HN -0.175 8.323 8.180 0.530 0.000 0.507 52 H N -0.690 118.042 119.070 -0.564 0.000 2.423 52 H HA -0.341 nan 4.556 nan 0.000 0.297 52 H C 2.545 177.673 175.328 -0.333 0.000 1.075 52 H CA 3.257 58.911 56.048 -0.657 0.000 1.342 52 H CB 0.892 30.375 29.762 -0.466 0.000 1.395 52 H HN -0.261 7.991 8.280 -0.048 0.000 0.530 53 I N -5.326 115.182 120.570 -0.103 0.000 2.676 53 I HA -0.259 nan 4.170 nan 0.000 0.259 53 I C 0.519 176.660 176.117 0.039 0.000 1.194 53 I CA 2.316 63.608 61.300 -0.014 0.000 1.473 53 I CB -0.378 37.642 38.000 0.033 0.000 1.096 53 I HN -0.343 7.801 8.210 -0.110 0.000 0.443 54 S N -0.603 115.118 115.700 0.034 0.000 2.439 54 S HA -0.009 nan 4.470 nan 0.000 0.224 54 S C 2.547 177.213 174.600 0.109 0.000 1.029 54 S CA 2.809 61.057 58.200 0.080 0.000 0.946 54 S CB 0.776 64.041 63.200 0.108 0.000 0.797 54 S HN -0.686 7.643 8.310 0.031 0.000 0.504 55 G N 0.931 109.710 108.800 -0.034 0.000 2.625 55 G HA2 -0.185 nan 3.960 nan 0.000 0.214 55 G HA3 -0.185 nan 3.960 nan 0.000 0.214 55 G C -0.405 174.489 174.900 -0.010 0.000 1.132 55 G CA 2.144 47.190 45.100 -0.091 0.000 0.782 55 G HN 0.374 8.565 8.290 -0.165 0.000 0.538 56 T N -2.542 112.022 114.554 0.016 0.000 3.160 56 T HA -0.075 nan 4.350 nan 0.000 0.257 56 T C 0.130 174.918 174.700 0.147 0.000 1.147 56 T CA -0.609 61.530 62.100 0.065 0.000 1.064 56 T CB -0.798 68.115 68.868 0.075 0.000 0.949 56 T HN -0.498 7.688 8.240 -0.001 0.053 0.526 57 W N 2.611 123.909 121.300 -0.004 0.000 2.170 57 W HA -0.187 nan 4.660 nan 0.000 0.342 57 W C -1.921 174.577 176.519 -0.035 0.000 1.294 57 W CA 0.907 58.253 57.345 0.002 0.000 1.246 57 W CB 0.634 30.104 29.460 0.016 0.000 1.156 57 W HN -0.541 7.765 8.180 0.322 0.068 0.572 58 D N 7.229 127.244 120.400 -0.641 0.000 2.471 58 D HA 0.307 nan 4.640 nan 0.000 0.245 58 D C 0.204 175.718 176.300 -1.309 0.000 1.116 58 D CA -1.747 51.798 54.000 -0.759 0.000 0.853 58 D CB 2.208 42.809 40.800 -0.333 0.000 1.123 58 D HN 0.236 8.299 8.370 -0.512 0.000 0.540 59 K N 6.319 125.756 120.400 -1.605 0.000 2.281 59 K HA -0.339 nan 4.320 nan 0.000 0.203 59 K C 1.025 177.222 176.600 -0.672 0.000 1.046 59 K CA 2.196 57.670 56.287 -1.356 0.000 0.938 59 K CB -0.186 31.753 32.500 -0.937 0.000 0.737 59 K HN 0.198 7.590 8.250 -1.430 0.000 0.458 60 H N -0.998 117.840 119.070 -0.386 0.000 2.403 60 H HA -0.104 nan 4.556 nan 0.000 0.298 60 H C 1.039 176.269 175.328 -0.164 0.000 1.059 60 H CA 1.923 57.843 56.048 -0.214 0.000 1.363 60 H CB 0.512 30.171 29.762 -0.172 0.000 1.410 60 H HN -0.146 7.947 8.280 -0.689 -0.226 0.528 61 D N -4.944 115.410 120.400 -0.077 0.000 2.527 61 D HA -0.060 nan 4.640 nan 0.000 0.224 61 D C 0.409 176.680 176.300 -0.049 0.000 1.217 61 D CA -0.843 53.127 54.000 -0.050 0.000 0.819 61 D CB 0.027 40.809 40.800 -0.029 0.000 1.061 61 D HN -0.596 7.679 8.370 -0.158 0.000 0.515 62 N N -1.472 117.175 118.700 -0.087 0.000 2.693 62 N HA -0.483 nan 4.740 nan 0.000 0.249 62 N C -1.094 174.546 175.510 0.216 0.000 1.119 62 N CA 1.039 54.155 53.050 0.110 0.000 0.717 62 N CB -1.069 37.505 38.487 0.146 0.000 1.071 62 N HN -0.106 8.146 8.380 -0.214 0.000 0.555 63 T N -7.430 107.177 114.554 0.088 0.000 2.874 63 T HA 0.374 nan 4.350 nan 0.000 0.281 63 T C -0.007 174.822 174.700 0.215 0.000 0.994 63 T CA -1.378 60.820 62.100 0.164 0.000 1.015 63 T CB 2.111 71.027 68.868 0.080 0.000 1.028 63 T HN -0.878 7.513 8.240 -0.040 -0.175 0.523 64 G N 3.018 111.952 108.800 0.223 0.000 2.601 64 G HA2 -0.477 nan 3.960 nan 0.000 0.252 64 G HA3 -0.477 nan 3.960 nan 0.000 0.252 64 G C -0.805 174.284 174.900 0.315 0.000 1.294 64 G CA -0.286 44.955 45.100 0.235 0.000 0.912 64 G HN 0.367 8.778 8.290 0.201 0.000 0.574 65 G N -1.362 107.607 108.800 0.282 0.000 2.746 65 G HA2 -0.296 nan 3.960 nan 0.000 0.685 65 G HA3 -0.296 nan 3.960 nan 0.000 0.685 65 G C 0.667 175.640 174.900 0.123 0.000 1.350 65 G CA -0.457 44.755 45.100 0.187 0.000 0.837 65 G HN -0.147 8.250 8.290 0.240 0.037 0.564 66 S N 0.975 116.715 115.700 0.066 0.000 2.453 66 S HA -0.286 nan 4.470 nan 0.000 0.231 66 S C 1.391 176.046 174.600 0.092 0.000 1.005 66 S CA 2.750 61.007 58.200 0.095 0.000 0.949 66 S CB 0.280 63.521 63.200 0.069 0.000 0.774 66 S HN 0.524 8.836 8.310 0.002 0.000 0.510 67 Y N 4.161 124.410 120.300 -0.085 0.000 2.069 67 Y HA -0.443 nan 4.550 nan 0.000 0.278 67 Y C 0.858 176.711 175.900 -0.080 0.000 1.175 67 Y CA 3.292 61.307 58.100 -0.142 0.000 1.134 67 Y CB -0.114 38.149 38.460 -0.328 0.000 0.965 67 Y HN 0.127 8.442 8.280 0.118 0.036 0.498 68 G N -6.335 102.500 108.800 0.058 0.000 2.712 68 G HA2 -0.168 nan 3.960 nan 0.000 0.212 68 G HA3 -0.168 nan 3.960 nan 0.000 0.212 68 G C -0.327 174.629 174.900 0.094 0.000 1.142 68 G CA -0.234 44.904 45.100 0.064 0.000 0.789 68 G HN -0.056 8.319 8.290 0.143 0.000 0.535 69 G N -0.736 108.145 108.800 0.136 0.000 2.225 69 G HA2 -0.480 nan 3.960 nan 0.000 0.267 69 G HA3 -0.480 nan 3.960 nan 0.000 0.267 69 G C 0.684 175.765 174.900 0.303 0.000 1.024 69 G CA 1.082 46.322 45.100 0.233 0.000 0.784 69 G HN -0.495 7.813 8.290 0.120 0.053 0.507 70 T N -3.600 111.146 114.554 0.321 0.000 3.113 70 T HA -0.281 nan 4.350 nan 0.000 0.263 70 T C 1.049 175.949 174.700 0.333 0.000 1.143 70 T CA 1.656 63.987 62.100 0.385 0.000 1.090 70 T CB -0.938 68.193 68.868 0.439 0.000 0.922 70 T HN 0.177 8.566 8.240 0.298 0.029 0.521 71 Y N 3.983 124.412 120.300 0.214 0.000 2.403 71 Y HA -0.300 nan 4.550 nan 0.000 0.291 71 Y C 0.438 176.426 175.900 0.148 0.000 1.143 71 Y CA 1.408 59.593 58.100 0.142 0.000 1.257 71 Y CB -0.449 37.993 38.460 -0.029 0.000 0.984 71 Y HN -0.581 7.936 8.280 0.482 0.053 0.550 72 R N -1.802 118.735 120.500 0.061 0.000 2.237 72 R HA -0.236 nan 4.340 nan 0.000 0.219 72 R C 0.332 176.344 176.300 -0.479 0.000 1.080 72 R CA 1.622 57.613 56.100 -0.181 0.000 0.995 72 R CB -0.064 30.177 30.300 -0.098 0.000 0.875 72 R HN -0.704 7.688 8.270 0.248 0.026 0.462 73 F N -0.949 118.982 119.950 -0.031 0.000 2.384 73 F HA 0.165 nan 4.527 nan 0.000 0.338 73 F C 0.744 176.489 175.800 -0.092 0.000 1.103 73 F CA -1.054 56.910 58.000 -0.060 0.000 1.157 73 F CB 0.391 39.394 39.000 0.006 0.000 1.167 73 F HN -0.469 7.520 8.300 -0.246 0.164 0.529 74 K N 4.268 124.728 120.400 0.100 0.000 2.107 74 K HA -0.491 nan 4.320 nan 0.000 0.211 74 K C 1.815 178.462 176.600 0.079 0.000 1.049 74 K CA 3.912 60.220 56.287 0.036 0.000 0.927 74 K CB -0.665 31.847 32.500 0.020 0.000 0.714 74 K HN 0.811 9.147 8.250 0.143 0.000 0.452 75 K N -1.472 118.983 120.400 0.093 0.000 2.009 75 K HA -0.372 nan 4.320 nan 0.000 0.210 75 K C 1.792 178.445 176.600 0.088 0.000 1.049 75 K CA 3.430 59.764 56.287 0.078 0.000 0.929 75 K CB -0.178 32.363 32.500 0.069 0.000 0.714 75 K HN 0.000 8.315 8.250 0.108 0.000 0.440 76 E N -2.293 117.977 120.200 0.117 0.000 2.112 76 E HA -0.223 nan 4.350 nan 0.000 0.190 76 E C 2.756 179.380 176.600 0.041 0.000 0.979 76 E CA 2.247 58.717 56.400 0.117 0.000 0.814 76 E CB 0.036 29.848 29.700 0.187 0.000 0.762 76 E HN -0.656 7.797 8.360 0.156 0.000 0.460 77 F N 0.000 119.775 119.950 -0.292 0.000 2.216 77 F HA -0.287 nan 4.527 nan 0.000 0.300 77 F C 0.304 175.985 175.800 -0.199 0.000 1.085 77 F CA 3.266 60.959 58.000 -0.512 0.000 1.326 77 F CB 0.352 38.979 39.000 -0.622 0.000 1.027 77 F HN -0.094 8.227 8.300 0.035 0.000 0.497 78 N N -3.580 115.156 118.700 0.059 0.000 2.270 78 N HA 0.010 nan 4.740 nan 0.000 0.198 78 N C -1.193 174.332 175.510 0.026 0.000 1.117 78 N CA -0.143 52.931 53.050 0.040 0.000 0.845 78 N CB 0.662 39.190 38.487 0.069 0.000 0.980 78 N HN -0.400 8.012 8.380 0.093 0.024 0.486 79 D N 2.761 123.181 120.400 0.033 0.000 2.487 79 D HA 0.059 nan 4.640 nan 0.000 0.243 79 D C -0.195 176.127 176.300 0.038 0.000 1.154 79 D CA -1.182 52.845 54.000 0.044 0.000 0.876 79 D CB 0.742 41.580 40.800 0.063 0.000 1.161 79 D HN -0.638 7.580 8.370 0.036 0.174 0.478 80 P HA -0.162 nan 4.420 nan 0.000 0.218 80 P C 1.224 178.561 177.300 0.062 0.000 1.148 80 P CA 2.134 65.258 63.100 0.041 0.000 0.822 80 P CB 0.293 32.016 31.700 0.039 0.000 0.784 81 S N -2.222 113.523 115.700 0.075 0.000 2.447 81 S HA -0.256 nan 4.470 nan 0.000 0.233 81 S C 0.645 175.369 174.600 0.206 0.000 1.006 81 S CA 2.970 61.242 58.200 0.120 0.000 0.957 81 S CB -0.542 62.692 63.200 0.056 0.000 0.773 81 S HN -0.263 8.308 8.310 0.059 -0.225 0.507 82 N N -0.846 117.940 118.700 0.143 0.000 2.322 82 N HA 0.081 nan 4.740 nan 0.000 0.194 82 N C -1.351 174.153 175.510 -0.009 0.000 1.126 82 N CA -0.673 52.443 53.050 0.110 0.000 0.845 82 N CB 0.341 38.911 38.487 0.138 0.000 0.976 82 N HN -0.466 7.806 8.380 0.095 0.165 0.475 83 A N -0.785 122.039 122.820 0.007 0.000 2.566 83 A HA -0.199 nan 4.320 nan 0.000 0.245 83 A C 0.484 178.046 177.584 -0.036 0.000 1.056 83 A CA 1.829 53.853 52.037 -0.022 0.000 0.757 83 A CB -0.497 18.510 19.000 0.011 0.000 0.979 83 A HN -0.554 7.454 8.150 0.045 0.169 0.508 84 G N 3.343 112.106 108.800 -0.061 0.000 2.258 84 G HA2 -0.424 nan 3.960 nan 0.000 0.233 84 G HA3 -0.424 nan 3.960 nan 0.000 0.233 84 G C 1.131 175.989 174.900 -0.070 0.000 1.006 84 G CA 0.875 45.934 45.100 -0.069 0.000 0.620 84 G HN 0.281 8.728 8.290 -0.071 -0.200 0.511 85 L N 1.538 122.697 121.223 -0.107 0.000 2.465 85 L HA -0.308 nan 4.340 nan 0.000 0.224 85 L C 0.773 177.614 176.870 -0.049 0.000 1.145 85 L CA 1.710 56.480 54.840 -0.117 0.000 0.834 85 L CB -0.638 41.289 42.059 -0.219 0.000 0.944 85 L HN 0.069 8.153 8.230 -0.116 0.076 0.451 86 Q N -0.848 118.886 119.800 -0.109 0.000 2.181 86 Q HA -0.417 nan 4.340 nan 0.000 0.205 86 Q C 2.203 178.319 176.000 0.193 0.000 0.980 86 Q CA 3.481 59.278 55.803 -0.011 0.000 0.862 86 Q CB -1.014 27.716 28.738 -0.015 0.000 0.905 86 Q HN 0.483 8.610 8.270 -0.171 0.041 0.429 87 N N -0.526 118.250 118.700 0.126 0.000 2.244 87 N HA -0.228 nan 4.740 nan 0.000 0.183 87 N C 2.237 177.841 175.510 0.156 0.000 1.016 87 N CA 2.708 55.849 53.050 0.152 0.000 0.866 87 N CB -0.480 38.079 38.487 0.119 0.000 0.980 87 N HN -0.548 7.857 8.380 0.066 0.015 0.430 88 G N -0.024 108.843 108.800 0.111 0.000 2.394 88 G HA2 -0.215 nan 3.960 nan 0.000 0.215 88 G HA3 -0.215 nan 3.960 nan 0.000 0.215 88 G C 0.802 175.809 174.900 0.178 0.000 1.165 88 G CA 1.516 46.660 45.100 0.073 0.000 0.784 88 G HN -0.368 7.867 8.290 0.075 0.100 0.535 89 F N 2.889 122.906 119.950 0.113 0.000 2.069 89 F HA -0.414 nan 4.527 nan 0.000 0.298 89 F C 1.320 177.247 175.800 0.211 0.000 1.113 89 F CA 3.631 61.777 58.000 0.243 0.000 1.214 89 F CB 0.364 39.630 39.000 0.444 0.000 0.978 89 F HN -0.315 8.195 8.300 0.349 0.000 0.474 90 K N -3.113 117.511 120.400 0.373 0.000 2.147 90 K HA -0.406 nan 4.320 nan 0.000 0.205 90 K C 1.962 178.560 176.600 -0.002 0.000 1.049 90 K CA 2.833 59.227 56.287 0.179 0.000 0.936 90 K CB -0.272 32.362 32.500 0.224 0.000 0.722 90 K HN -0.189 8.362 8.250 0.501 0.000 0.446 91 F N -0.818 119.005 119.950 -0.212 0.000 2.102 91 F HA -0.273 nan 4.527 nan 0.000 0.298 91 F C 1.042 176.666 175.800 -0.293 0.000 1.105 91 F CA 2.779 60.528 58.000 -0.418 0.000 1.239 91 F CB 0.718 39.286 39.000 -0.720 0.000 0.991 91 F HN -0.851 7.525 8.300 0.126 0.000 0.474 92 L N -3.265 117.959 121.223 0.002 0.000 2.313 92 L HA -0.351 nan 4.340 nan 0.000 0.214 92 L C 1.612 178.355 176.870 -0.211 0.000 1.119 92 L CA 1.964 56.750 54.840 -0.090 0.000 0.809 92 L CB -0.459 41.613 42.059 0.022 0.000 0.933 92 L HN -0.214 8.084 8.230 0.112 0.000 0.449 93 E N 0.602 120.643 120.200 -0.265 0.000 2.058 93 E HA -0.247 nan 4.350 nan 0.000 0.194 93 E C -1.114 175.383 176.600 -0.172 0.000 0.997 93 E CA 5.348 61.599 56.400 -0.248 0.000 0.801 93 E CB -1.707 27.842 29.700 -0.252 0.000 0.746 93 E HN -0.206 7.967 8.360 -0.259 0.032 0.450 94 P HA -0.260 nan 4.420 nan 0.000 0.217 94 P C 1.789 178.987 177.300 -0.170 0.000 1.158 94 P CA 2.826 65.812 63.100 -0.191 0.000 0.887 94 P CB -0.590 30.964 31.700 -0.243 0.000 0.792 95 I N -3.399 117.065 120.570 -0.177 0.000 2.439 95 I HA -0.428 nan 4.170 nan 0.000 0.251 95 I C 1.762 177.876 176.117 -0.005 0.000 1.139 95 I CA 3.587 64.837 61.300 -0.083 0.000 1.438 95 I CB -0.219 37.700 38.000 -0.135 0.000 1.085 95 I HN -0.836 7.231 8.210 -0.240 0.000 0.427 96 H N 0.803 119.770 119.070 -0.172 0.000 2.428 96 H HA -0.287 nan 4.556 nan 0.000 0.296 96 H C 1.553 176.768 175.328 -0.187 0.000 1.062 96 H CA 2.582 58.513 56.048 -0.194 0.000 1.350 96 H CB 0.358 29.987 29.762 -0.221 0.000 1.403 96 H HN -0.425 7.824 8.280 -0.052 0.000 0.533 97 K N -2.627 117.727 120.400 -0.077 0.000 2.057 97 K HA -0.200 nan 4.320 nan 0.000 0.207 97 K C 1.122 177.610 176.600 -0.186 0.000 1.049 97 K CA 1.651 57.851 56.287 -0.145 0.000 0.931 97 K CB 0.018 32.436 32.500 -0.137 0.000 0.714 97 K HN -0.457 7.752 8.250 -0.068 0.000 0.440 98 E N -1.511 118.546 120.200 -0.238 0.000 2.152 98 E HA -0.198 nan 4.350 nan 0.000 0.192 98 E C 0.265 176.416 176.600 -0.748 0.000 0.983 98 E CA 2.285 58.403 56.400 -0.470 0.000 0.818 98 E CB 0.936 30.317 29.700 -0.531 0.000 0.758 98 E HN -0.639 7.611 8.360 -0.184 0.000 0.467 99 F N -2.651 117.168 119.950 -0.219 0.000 2.449 99 F HA 0.439 nan 4.527 nan 0.000 0.329 99 F C -1.896 173.593 175.800 -0.519 0.000 1.245 99 F CA -3.228 54.500 58.000 -0.454 0.000 1.193 99 F CB 0.139 38.691 39.000 -0.747 0.000 1.425 99 F HN -0.311 7.918 8.300 -0.118 0.000 0.544 100 P HA -0.089 nan 4.420 nan 0.000 0.233 100 P C 0.347 177.648 177.300 0.003 0.000 1.167 100 P CA 1.250 64.287 63.100 -0.106 0.000 0.770 100 P CB -0.132 31.511 31.700 -0.095 0.000 0.837 101 W N -4.573 116.781 121.300 0.089 0.000 2.467 101 W HA -0.112 nan 4.660 nan 0.000 0.275 101 W C -0.541 176.048 176.519 0.117 0.000 1.239 101 W CA -1.762 55.630 57.345 0.078 0.000 1.266 101 W CB -0.640 28.848 29.460 0.046 0.000 1.112 101 W HN -0.599 7.565 8.180 0.046 0.043 0.576 102 I N 2.187 122.583 120.570 -0.291 0.000 2.588 102 I HA -0.074 nan 4.170 nan 0.000 0.283 102 I C -0.762 175.378 176.117 0.038 0.000 1.119 102 I CA -0.418 60.801 61.300 -0.134 0.000 1.419 102 I CB 1.226 38.865 38.000 -0.602 0.000 1.394 102 I HN -0.740 6.966 8.210 -0.841 0.000 0.562 103 S N 7.489 123.238 115.700 0.082 0.000 2.584 103 S HA 0.006 nan 4.470 nan 0.000 0.270 103 S C 1.048 175.541 174.600 -0.180 0.000 1.346 103 S CA 0.105 58.308 58.200 0.005 0.000 1.018 103 S CB 0.544 63.735 63.200 -0.014 0.000 0.899 103 S HN -0.005 8.678 8.310 0.181 -0.265 0.542 104 S N 4.650 120.222 115.700 -0.215 0.000 2.356 104 S HA -0.325 nan 4.470 nan 0.000 0.223 104 S C 2.123 176.320 174.600 -0.672 0.000 1.032 104 S CA 4.905 62.757 58.200 -0.581 0.000 1.005 104 S CB -0.261 62.723 63.200 -0.360 0.000 0.867 104 S HN 0.113 8.757 8.310 -0.090 -0.388 0.449 105 G N -0.032 108.621 108.800 -0.246 0.000 2.469 105 G HA2 -0.375 nan 3.960 nan 0.000 0.219 105 G HA3 -0.375 nan 3.960 nan 0.000 0.219 105 G C 0.731 175.638 174.900 0.010 0.000 1.150 105 G CA 2.211 47.281 45.100 -0.050 0.000 0.763 105 G HN -0.240 7.942 8.290 -0.179 0.000 0.561 106 D N 2.442 122.847 120.400 0.008 0.000 2.117 106 D HA -0.147 nan 4.640 nan 0.000 0.198 106 D C 2.167 178.540 176.300 0.122 0.000 0.982 106 D CA 3.000 57.149 54.000 0.248 0.000 0.828 106 D CB -0.259 40.752 40.800 0.352 0.000 0.967 106 D HN -0.790 7.543 8.370 -0.062 0.000 0.464 107 L N 0.358 121.464 121.223 -0.195 0.000 2.027 107 L HA -0.294 nan 4.340 nan 0.000 0.206 107 L C 1.585 178.374 176.870 -0.136 0.000 1.074 107 L CA 3.362 58.011 54.840 -0.317 0.000 0.745 107 L CB -0.245 41.429 42.059 -0.641 0.000 0.898 107 L HN -0.155 7.894 8.230 -0.303 0.000 0.433 108 F N -2.720 117.200 119.950 -0.050 0.000 2.134 108 F HA -0.361 nan 4.527 nan 0.000 0.299 108 F C 2.316 178.120 175.800 0.007 0.000 1.097 108 F CA 1.817 59.808 58.000 -0.016 0.000 1.264 108 F CB -1.247 37.764 39.000 0.018 0.000 1.001 108 F HN 0.173 8.168 8.300 -0.509 0.000 0.479 109 S N -0.173 115.668 115.700 0.234 0.000 2.387 109 S HA -0.314 nan 4.470 nan 0.000 0.226 109 S C 2.234 176.883 174.600 0.082 0.000 1.026 109 S CA 3.050 61.373 58.200 0.206 0.000 0.972 109 S CB 0.339 63.738 63.200 0.332 0.000 0.814 109 S HN 0.078 8.528 8.310 0.235 0.000 0.477 110 L N 2.628 123.776 121.223 -0.126 0.000 2.141 110 L HA -0.155 nan 4.340 nan 0.000 0.209 110 L C 1.833 178.538 176.870 -0.276 0.000 1.094 110 L CA 2.158 56.678 54.840 -0.533 0.000 0.763 110 L CB -0.455 41.079 42.059 -0.875 0.000 0.908 110 L HN 0.034 8.262 8.230 -0.003 0.000 0.437 111 G N -1.514 107.202 108.800 -0.139 0.000 2.440 111 G HA2 -0.430 nan 3.960 nan 0.000 0.218 111 G HA3 -0.430 nan 3.960 nan 0.000 0.218 111 G C 0.953 175.841 174.900 -0.019 0.000 1.154 111 G CA 2.561 47.613 45.100 -0.079 0.000 0.767 111 G HN 0.236 8.465 8.290 -0.101 0.000 0.552 112 G N 0.750 109.600 108.800 0.083 0.000 2.418 112 G HA2 -0.286 nan 3.960 nan 0.000 0.217 112 G HA3 -0.286 nan 3.960 nan 0.000 0.217 112 G C 1.065 176.136 174.900 0.286 0.000 1.158 112 G CA 1.743 46.988 45.100 0.241 0.000 0.771 112 G HN -0.664 7.677 8.290 0.084 0.000 0.545 113 V N 2.559 122.598 119.914 0.207 0.000 2.343 113 V HA -0.456 nan 4.120 nan 0.000 0.247 113 V C 2.153 178.323 176.094 0.128 0.000 1.051 113 V CA 4.400 66.830 62.300 0.217 0.000 1.036 113 V CB -0.736 31.175 31.823 0.146 0.000 0.654 113 V HN -0.207 8.051 8.190 0.114 0.000 0.451 114 T N 0.847 115.378 114.554 -0.039 0.000 2.777 114 T HA -0.293 nan 4.350 nan 0.000 0.266 114 T C 1.432 176.038 174.700 -0.156 0.000 1.040 114 T CA 4.969 66.915 62.100 -0.256 0.000 1.141 114 T CB -0.639 67.862 68.868 -0.613 0.000 0.868 114 T HN 0.192 8.376 8.240 -0.093 0.000 0.444 115 A N 0.978 123.742 122.820 -0.094 0.000 1.883 115 A HA -0.254 nan 4.320 nan 0.000 0.217 115 A C 1.721 179.281 177.584 -0.039 0.000 1.186 115 A CA 3.333 55.335 52.037 -0.058 0.000 0.624 115 A CB -0.881 18.098 19.000 -0.035 0.000 0.822 115 A HN -0.167 7.935 8.150 -0.080 0.000 0.444 116 V N -0.890 118.993 119.914 -0.051 0.000 2.261 116 V HA -0.561 nan 4.120 nan 0.000 0.246 116 V C 2.432 178.401 176.094 -0.208 0.000 1.047 116 V CA 4.679 66.859 62.300 -0.201 0.000 1.015 116 V CB -1.021 30.622 31.823 -0.300 0.000 0.642 116 V HN -0.379 7.812 8.190 0.003 0.000 0.446 117 Q N -1.832 117.923 119.800 -0.075 0.000 2.079 117 Q HA -0.338 nan 4.340 nan 0.000 0.200 117 Q C 3.177 179.203 176.000 0.043 0.000 0.974 117 Q CA 3.238 59.040 55.803 -0.001 0.000 0.840 117 Q CB -0.220 28.616 28.738 0.164 0.000 0.898 117 Q HN -0.255 8.010 8.270 -0.008 0.000 0.430 118 E N -0.360 119.867 120.200 0.044 0.000 2.204 118 E HA -0.200 nan 4.350 nan 0.000 0.194 118 E C 1.392 178.016 176.600 0.041 0.000 0.989 118 E CA 1.901 58.328 56.400 0.045 0.000 0.824 118 E CB -0.268 29.431 29.700 -0.002 0.000 0.756 118 E HN -0.134 8.238 8.360 0.020 0.000 0.477 119 M N -1.567 118.048 119.600 0.026 0.000 2.608 119 M HA 0.114 nan 4.480 nan 0.000 0.224 119 M C -1.166 175.186 176.300 0.086 0.000 1.204 119 M CA 0.029 55.365 55.300 0.060 0.000 0.984 119 M CB -0.340 32.305 32.600 0.074 0.000 1.691 119 M HN -0.263 8.026 8.290 -0.002 0.000 0.469 120 Q N -5.712 114.125 119.800 0.063 0.000 2.457 120 Q HA -0.467 nan 4.340 nan 0.000 0.283 120 Q C -0.409 175.635 176.000 0.073 0.000 1.234 120 Q CA 0.672 56.527 55.803 0.087 0.000 0.877 120 Q CB -3.328 25.497 28.738 0.146 0.000 1.250 120 Q HN -0.199 7.972 8.270 0.050 0.129 0.481 121 G N 1.621 110.301 108.800 -0.200 0.000 2.588 121 G HA2 0.117 nan 3.960 nan 0.000 0.278 121 G HA3 0.117 nan 3.960 nan 0.000 0.278 121 G C -1.840 172.670 174.900 -0.651 0.000 1.307 121 G CA -1.401 43.216 45.100 -0.806 0.000 1.016 121 G HN -0.059 8.081 8.290 -0.179 0.043 0.503 122 P HA -0.015 nan 4.420 nan 0.000 0.274 122 P C -1.260 175.913 177.300 -0.212 0.000 1.237 122 P CA -0.554 62.313 63.100 -0.389 0.000 0.793 122 P CB 0.826 32.289 31.700 -0.396 0.000 0.977 123 K N -1.017 119.342 120.400 -0.067 0.000 2.451 123 K HA -0.049 nan 4.320 nan 0.000 0.280 123 K C -0.427 176.176 176.600 0.006 0.000 1.020 123 K CA -0.157 56.123 56.287 -0.011 0.000 1.008 123 K CB -0.048 32.455 32.500 0.006 0.000 0.917 123 K HN 0.152 8.385 8.250 -0.029 0.000 0.478 124 I N 4.738 125.350 120.570 0.071 0.000 2.330 124 I HA 0.204 nan 4.170 nan 0.000 0.286 124 I C -1.685 174.502 176.117 0.117 0.000 1.025 124 I CA -4.794 56.572 61.300 0.110 0.000 1.197 124 I CB -1.356 36.776 38.000 0.220 0.000 1.358 124 I HN -0.020 8.556 8.210 0.108 -0.302 0.467 125 P HA -0.120 nan 4.420 nan 0.000 0.260 125 P C -2.152 175.197 177.300 0.081 0.000 1.172 125 P CA 0.239 63.342 63.100 0.004 0.000 0.760 125 P CB -0.003 31.652 31.700 -0.075 0.000 0.773 126 W N 6.851 128.085 121.300 -0.110 0.000 2.819 126 W HA 0.258 nan 4.660 nan 0.000 0.337 126 W C -2.773 173.617 176.519 -0.215 0.000 1.077 126 W CA -1.363 55.942 57.345 -0.066 0.000 1.226 126 W CB 4.055 33.619 29.460 0.173 0.000 1.419 126 W HN 0.630 8.893 8.180 0.137 0.000 0.502 127 R N 3.801 123.718 120.500 -0.972 0.000 2.562 127 R HA 0.516 nan 4.340 nan 0.000 0.298 127 R C -1.488 173.957 176.300 -1.425 0.000 0.961 127 R CA -1.649 53.797 56.100 -1.091 0.000 0.881 127 R CB 3.484 33.210 30.300 -0.958 0.000 1.159 127 R HN 0.309 7.945 8.270 -1.057 0.000 0.450 128 C N -1.928 116.713 119.300 -1.099 0.000 2.403 128 C HA 0.466 nan 4.460 nan 0.000 0.361 128 C C 0.644 175.497 174.990 -0.228 0.000 1.274 128 C CA -1.998 56.556 59.018 -0.773 0.000 2.433 128 C CB 0.587 27.985 27.740 -0.570 0.000 2.323 128 C HN 0.558 8.220 8.230 -0.948 0.000 0.614 129 G N 0.368 109.130 108.800 -0.063 0.000 2.227 129 G HA2 -0.232 nan 3.960 nan 0.000 0.168 129 G HA3 -0.232 nan 3.960 nan 0.000 0.168 129 G C -1.107 173.756 174.900 -0.062 0.000 1.006 129 G CA -0.276 44.831 45.100 0.012 0.000 0.684 129 G HN 0.214 8.887 8.290 -0.004 -0.385 0.489 130 R N 0.384 120.797 120.500 -0.144 0.000 2.679 130 R HA 0.029 nan 4.340 nan 0.000 0.268 130 R C -0.819 175.211 176.300 -0.451 0.000 1.044 130 R CA 1.082 56.932 56.100 -0.417 0.000 1.105 130 R CB 0.782 30.914 30.300 -0.280 0.000 0.989 130 R HN -0.463 7.973 8.270 -0.104 -0.228 0.447 131 V N 4.088 123.492 119.914 -0.850 0.000 2.531 131 V HA 0.100 nan 4.120 nan 0.000 0.301 131 V C -1.022 174.880 176.094 -0.321 0.000 1.034 131 V CA -1.401 60.652 62.300 -0.411 0.000 0.865 131 V CB 2.714 34.416 31.823 -0.202 0.000 0.995 131 V HN -0.137 6.959 8.190 -1.822 0.000 0.424 132 D N 4.964 125.299 120.400 -0.109 0.000 2.455 132 D HA -0.019 nan 4.640 nan 0.000 0.241 132 D C -0.259 176.089 176.300 0.081 0.000 1.138 132 D CA 1.031 55.027 54.000 -0.007 0.000 0.877 132 D CB 0.369 41.190 40.800 0.036 0.000 1.187 132 D HN -0.009 8.320 8.370 -0.067 0.000 0.451 133 T N -0.520 114.130 114.554 0.161 0.000 2.942 133 T HA 0.546 nan 4.350 nan 0.000 0.289 133 T C -2.046 172.812 174.700 0.263 0.000 1.044 133 T CA -3.323 58.901 62.100 0.207 0.000 1.023 133 T CB 0.549 69.556 68.868 0.231 0.000 1.123 133 T HN -0.218 8.129 8.240 0.178 0.000 0.512 134 P HA 0.260 nan 4.420 nan 0.000 0.272 134 P C 0.799 177.959 177.300 -0.233 0.000 1.230 134 P CA -1.259 61.874 63.100 0.055 0.000 0.788 134 P CB 0.733 32.438 31.700 0.009 0.000 0.949 135 E N 1.674 121.404 120.200 -0.783 0.000 2.187 135 E HA -0.430 nan 4.350 nan 0.000 0.199 135 E C 1.685 177.947 176.600 -0.563 0.000 1.004 135 E CA 3.868 59.407 56.400 -1.435 0.000 0.813 135 E CB -0.171 28.851 29.700 -1.131 0.000 0.736 135 E HN 0.553 8.596 8.360 -0.529 0.000 0.468 136 D N -5.147 115.083 120.400 -0.284 0.000 2.310 136 D HA -0.175 nan 4.640 nan 0.000 0.212 136 D C 1.270 177.538 176.300 -0.055 0.000 0.965 136 D CA 1.925 55.846 54.000 -0.130 0.000 0.879 136 D CB -0.946 39.807 40.800 -0.077 0.000 0.921 136 D HN 0.131 8.317 8.370 -0.263 0.027 0.510 137 T N -4.419 110.119 114.554 -0.027 0.000 3.113 137 T HA 0.033 nan 4.350 nan 0.000 0.256 137 T C 0.628 175.385 174.700 0.095 0.000 1.131 137 T CA 0.209 62.348 62.100 0.065 0.000 1.074 137 T CB 0.318 69.265 68.868 0.131 0.000 0.944 137 T HN -0.328 7.712 8.240 -0.070 0.158 0.516 138 T N 7.316 121.909 114.554 0.065 0.000 2.778 138 T HA 0.049 nan 4.350 nan 0.000 0.282 138 T C -1.556 173.205 174.700 0.101 0.000 0.983 138 T CA 0.036 62.214 62.100 0.130 0.000 1.193 138 T CB -0.542 68.395 68.868 0.116 0.000 0.938 138 T HN -0.586 7.470 8.240 -0.036 0.162 0.523 139 P HA 0.013 nan 4.420 nan 0.000 0.269 139 P C -1.462 175.883 177.300 0.075 0.000 1.209 139 P CA -0.692 62.462 63.100 0.091 0.000 0.776 139 P CB 0.663 32.424 31.700 0.101 0.000 0.876 140 D N 1.199 121.632 120.400 0.055 0.000 2.382 140 D HA -0.130 nan 4.640 nan 0.000 0.240 140 D C 0.278 176.608 176.300 0.050 0.000 1.146 140 D CA 0.579 54.608 54.000 0.048 0.000 0.897 140 D CB 0.649 41.471 40.800 0.036 0.000 1.197 140 D HN 0.093 8.493 8.370 0.049 0.000 0.432 141 N N -0.453 118.276 118.700 0.048 0.000 2.283 141 N HA -0.300 nan 4.740 nan 0.000 0.236 141 N C 1.102 176.638 175.510 0.045 0.000 1.252 141 N CA 1.297 54.374 53.050 0.046 0.000 0.856 141 N CB 0.013 38.526 38.487 0.042 0.000 1.099 141 N HN 0.297 8.706 8.380 0.048 0.000 0.444 142 G N 0.328 109.155 108.800 0.045 0.000 2.134 142 G HA2 -0.265 nan 3.960 nan 0.000 0.209 142 G HA3 -0.265 nan 3.960 nan 0.000 0.209 142 G C -0.259 174.688 174.900 0.079 0.000 0.993 142 G CA 0.312 45.447 45.100 0.058 0.000 0.669 142 G HN 0.321 8.634 8.290 0.038 0.000 0.519 143 R N -1.726 118.814 120.500 0.068 0.000 2.334 143 R HA 0.074 nan 4.340 nan 0.000 0.212 143 R C -0.267 176.146 176.300 0.189 0.000 0.897 143 R CA -0.233 55.932 56.100 0.108 0.000 1.056 143 R CB 0.749 31.084 30.300 0.059 0.000 1.046 143 R HN 0.053 8.349 8.270 0.044 0.000 0.513 144 L N -0.465 120.787 121.223 0.048 0.000 2.379 144 L HA 0.234 nan 4.340 nan 0.000 0.269 144 L C -1.931 174.855 176.870 -0.140 0.000 1.084 144 L CA -2.705 52.085 54.840 -0.084 0.000 0.802 144 L CB 0.010 41.864 42.059 -0.341 0.000 1.175 144 L HN -0.344 7.840 8.230 0.015 0.055 0.448 145 P HA 0.087 nan 4.420 nan 0.000 0.278 145 P C -1.597 175.670 177.300 -0.056 0.000 1.238 145 P CA -0.828 61.987 63.100 -0.474 0.000 0.794 145 P CB 0.585 31.671 31.700 -1.024 0.000 0.955 146 D N 3.611 124.041 120.400 0.050 0.000 2.339 146 D HA 0.053 nan 4.640 nan 0.000 0.245 146 D C 0.157 176.438 176.300 -0.032 0.000 1.115 146 D CA 0.070 54.054 54.000 -0.027 0.000 0.917 146 D CB 0.813 41.518 40.800 -0.157 0.000 1.192 146 D HN 0.020 8.524 8.370 0.223 0.000 0.428 147 A N -0.544 122.277 122.820 0.002 0.000 2.147 147 A HA 0.042 nan 4.320 nan 0.000 0.211 147 A C -0.365 177.189 177.584 -0.050 0.000 1.160 147 A CA 1.622 53.631 52.037 -0.048 0.000 0.781 147 A CB 0.477 19.352 19.000 -0.208 0.000 0.842 147 A HN 0.198 8.381 8.150 0.056 0.000 0.475 148 D N -4.533 115.868 120.400 0.001 0.000 2.413 148 D HA -0.016 nan 4.640 nan 0.000 0.237 148 D C -0.873 175.406 176.300 -0.035 0.000 1.171 148 D CA -0.426 53.596 54.000 0.036 0.000 0.839 148 D CB -1.677 39.171 40.800 0.080 0.000 0.950 148 D HN 0.276 8.644 8.370 -0.003 0.000 0.499 149 K N -1.306 119.045 120.400 -0.083 0.000 2.246 149 K HA 0.259 nan 4.320 nan 0.000 0.239 149 K C -1.592 175.056 176.600 0.080 0.000 1.089 149 K CA -1.765 54.457 56.287 -0.108 0.000 0.892 149 K CB 2.134 34.314 32.500 -0.533 0.000 1.334 149 K HN -0.771 7.369 8.250 -0.050 0.080 0.507 150 D N -4.451 116.042 120.400 0.156 0.000 2.592 150 D HA 0.252 nan 4.640 nan 0.000 0.259 150 D C 0.374 176.844 176.300 0.284 0.000 1.144 150 D CA -1.476 52.651 54.000 0.211 0.000 1.080 150 D CB 1.721 42.626 40.800 0.176 0.000 1.225 150 D HN -0.217 8.239 8.370 0.143 0.000 0.619 151 A N -1.771 121.205 122.820 0.260 0.000 1.948 151 A HA -0.293 nan 4.320 nan 0.000 0.220 151 A C 1.987 179.743 177.584 0.287 0.000 1.177 151 A CA 3.608 55.840 52.037 0.325 0.000 0.636 151 A CB -0.309 18.845 19.000 0.256 0.000 0.815 151 A HN 0.173 8.454 8.150 0.218 0.000 0.449 152 G N -2.832 106.093 108.800 0.208 0.000 2.422 152 G HA2 -0.286 nan 3.960 nan 0.000 0.218 152 G HA3 -0.286 nan 3.960 nan 0.000 0.218 152 G C 0.696 175.732 174.900 0.227 0.000 1.146 152 G CA 1.583 46.786 45.100 0.171 0.000 0.769 152 G HN -0.029 8.372 8.290 0.185 0.000 0.547 153 Y N 2.809 123.211 120.300 0.171 0.000 2.114 153 Y HA -0.425 nan 4.550 nan 0.000 0.284 153 Y C 1.613 177.674 175.900 0.269 0.000 1.143 153 Y CA 3.850 62.063 58.100 0.188 0.000 1.135 153 Y CB 0.161 38.712 38.460 0.152 0.000 0.980 153 Y HN -0.748 7.937 8.280 0.378 -0.178 0.499 154 V N -0.348 119.781 119.914 0.359 0.000 2.282 154 V HA -0.582 nan 4.120 nan 0.000 0.249 154 V C 1.982 178.347 176.094 0.451 0.000 1.057 154 V CA 4.544 67.084 62.300 0.400 0.000 1.032 154 V CB -1.146 30.946 31.823 0.448 0.000 0.645 154 V HN -0.244 8.247 8.190 0.502 0.000 0.447 155 R N -2.045 118.686 120.500 0.385 0.000 2.081 155 R HA -0.395 nan 4.340 nan 0.000 0.235 155 R C 2.117 178.548 176.300 0.218 0.000 1.131 155 R CA 3.791 60.083 56.100 0.320 0.000 0.960 155 R CB -0.096 30.307 30.300 0.172 0.000 0.856 155 R HN 0.159 8.654 8.270 0.375 0.000 0.436 156 T N 1.708 116.342 114.554 0.133 0.000 2.737 156 T HA -0.249 nan 4.350 nan 0.000 0.265 156 T C 1.825 176.524 174.700 -0.001 0.000 1.038 156 T CA 4.799 66.932 62.100 0.056 0.000 1.144 156 T CB -0.480 68.409 68.868 0.036 0.000 0.866 156 T HN -0.450 7.874 8.240 0.139 0.000 0.434 157 F N 2.880 122.703 119.950 -0.213 0.000 2.091 157 F HA -0.475 nan 4.527 nan 0.000 0.299 157 F C 1.435 177.150 175.800 -0.142 0.000 1.103 157 F CA 3.404 61.230 58.000 -0.291 0.000 1.228 157 F CB 0.247 38.908 39.000 -0.566 0.000 0.984 157 F HN 0.155 8.304 8.300 -0.073 0.107 0.477 158 F N -2.538 117.413 119.950 0.003 0.000 2.604 158 F HA -0.299 nan 4.527 nan 0.000 0.298 158 F C 1.719 177.484 175.800 -0.058 0.000 1.131 158 F CA 3.368 61.359 58.000 -0.014 0.000 1.457 158 F CB -0.452 38.652 39.000 0.173 0.000 1.095 158 F HN -0.193 8.364 8.300 0.427 0.000 0.574 159 Q N -0.583 119.271 119.800 0.089 0.000 2.226 159 Q HA -0.396 nan 4.340 nan 0.000 0.204 159 Q C 2.157 178.106 176.000 -0.085 0.000 0.975 159 Q CA 3.196 59.016 55.803 0.029 0.000 0.866 159 Q CB -0.512 28.241 28.738 0.024 0.000 0.915 159 Q HN -0.275 7.929 8.270 0.098 0.125 0.440 160 R N -0.322 120.051 120.500 -0.211 0.000 2.152 160 R HA -0.226 nan 4.340 nan 0.000 0.232 160 R C 0.648 176.759 176.300 -0.315 0.000 1.117 160 R CA 2.987 58.894 56.100 -0.322 0.000 0.981 160 R CB 0.087 30.147 30.300 -0.399 0.000 0.870 160 R HN -0.497 7.600 8.270 -0.259 0.018 0.451 161 L N -3.374 117.785 121.223 -0.108 0.000 2.848 161 L HA 0.001 nan 4.340 nan 0.000 0.240 161 L C -1.190 175.885 176.870 0.343 0.000 1.232 161 L CA -1.079 53.906 54.840 0.241 0.000 1.031 161 L CB -0.992 41.257 42.059 0.316 0.000 1.338 161 L HN -0.831 7.190 8.230 -0.143 0.123 0.509 162 N N -0.472 118.330 118.700 0.169 0.000 3.054 162 N HA -0.402 nan 4.740 nan 0.000 0.305 162 N C -0.973 174.636 175.510 0.166 0.000 1.084 162 N CA 1.046 54.185 53.050 0.149 0.000 0.842 162 N CB -1.124 37.424 38.487 0.103 0.000 0.953 162 N HN -0.489 7.830 8.380 0.014 0.069 0.625 163 M N 0.235 119.947 119.600 0.187 0.000 2.336 163 M HA 0.267 nan 4.480 nan 0.000 0.342 163 M C -0.594 175.774 176.300 0.113 0.000 1.128 163 M CA -1.606 53.781 55.300 0.144 0.000 1.016 163 M CB 0.906 33.609 32.600 0.172 0.000 1.665 163 M HN -0.278 8.120 8.290 0.220 0.024 0.445 164 N N 3.227 121.973 118.700 0.077 0.000 2.566 164 N HA 0.170 nan 4.740 nan 0.000 0.299 164 N C -0.032 175.533 175.510 0.092 0.000 1.277 164 N CA -1.072 52.026 53.050 0.081 0.000 0.965 164 N CB 0.912 39.437 38.487 0.064 0.000 1.142 164 N HN 0.605 9.360 8.380 0.063 -0.337 0.596 165 D N -0.556 119.919 120.400 0.125 0.000 2.117 165 D HA -0.320 nan 4.640 nan 0.000 0.197 165 D C 2.438 178.839 176.300 0.169 0.000 0.987 165 D CA 4.575 58.717 54.000 0.236 0.000 0.829 165 D CB -0.316 40.601 40.800 0.196 0.000 0.961 165 D HN 0.401 8.828 8.370 0.095 0.000 0.460 166 R N 0.309 120.874 120.500 0.107 0.000 2.081 166 R HA -0.355 nan 4.340 nan 0.000 0.235 166 R C 2.084 178.457 176.300 0.122 0.000 1.131 166 R CA 3.237 59.400 56.100 0.104 0.000 0.960 166 R CB -0.145 30.207 30.300 0.087 0.000 0.856 166 R HN -0.483 7.913 8.270 0.091 -0.071 0.436 167 E N -0.122 120.115 120.200 0.062 0.000 2.051 167 E HA -0.366 nan 4.350 nan 0.000 0.192 167 E C 2.496 179.038 176.600 -0.096 0.000 0.991 167 E CA 3.318 59.724 56.400 0.010 0.000 0.799 167 E CB -0.077 29.623 29.700 0.001 0.000 0.748 167 E HN -0.164 8.589 8.360 0.059 -0.358 0.449 168 V N 0.657 120.448 119.914 -0.204 0.000 2.287 168 V HA -0.371 nan 4.120 nan 0.000 0.248 168 V C 2.060 177.966 176.094 -0.313 0.000 1.053 168 V CA 4.711 66.713 62.300 -0.497 0.000 1.027 168 V CB -0.892 30.648 31.823 -0.470 0.000 0.646 168 V HN 0.220 8.342 8.190 -0.114 0.000 0.447 169 V N -1.146 118.695 119.914 -0.121 0.000 2.358 169 V HA -0.420 nan 4.120 nan 0.000 0.246 169 V C 1.816 178.100 176.094 0.315 0.000 1.047 169 V CA 4.354 66.676 62.300 0.038 0.000 1.035 169 V CB -1.441 30.427 31.823 0.075 0.000 0.658 169 V HN -0.060 8.091 8.190 -0.066 0.000 0.452 170 A N 0.086 123.139 122.820 0.389 0.000 1.858 170 A HA -0.245 nan 4.320 nan 0.000 0.216 170 A C 2.297 180.137 177.584 0.427 0.000 1.190 170 A CA 3.274 55.590 52.037 0.466 0.000 0.617 170 A CB -0.744 18.433 19.000 0.294 0.000 0.827 170 A HN 0.011 8.345 8.150 0.307 0.000 0.443 171 L N -1.165 120.129 121.223 0.118 0.000 2.013 171 L HA -0.333 nan 4.340 nan 0.000 0.212 171 L C 2.443 179.256 176.870 -0.096 0.000 1.073 171 L CA 2.634 57.478 54.840 0.007 0.000 0.753 171 L CB -0.635 41.293 42.059 -0.219 0.000 0.890 171 L HN 0.206 8.444 8.230 0.013 0.000 0.432 172 M N -1.213 118.224 119.600 -0.273 0.000 2.358 172 M HA -0.257 nan 4.480 nan 0.000 0.264 172 M C 2.338 178.042 176.300 -0.993 0.000 1.064 172 M CA 2.200 57.145 55.300 -0.591 0.000 1.093 172 M CB -0.785 31.548 32.600 -0.446 0.000 1.401 172 M HN 0.127 8.283 8.290 -0.222 0.000 0.440 173 G N -1.774 106.650 108.800 -0.628 0.000 2.479 173 G HA2 -0.355 nan 3.960 nan 0.000 0.220 173 G HA3 -0.355 nan 3.960 nan 0.000 0.220 173 G C 0.479 174.975 174.900 -0.674 0.000 1.115 173 G CA 1.769 46.366 45.100 -0.838 0.000 0.757 173 G HN -0.122 8.067 8.290 -0.110 0.036 0.560 174 A N 1.848 124.400 122.820 -0.447 0.000 2.070 174 A HA -0.241 nan 4.320 nan 0.000 0.220 174 A C 1.642 179.051 177.584 -0.292 0.000 1.159 174 A CA 2.118 53.940 52.037 -0.359 0.000 0.656 174 A CB -0.653 18.270 19.000 -0.129 0.000 0.800 174 A HN -0.408 7.566 8.150 -0.246 0.029 0.453 175 H N -1.850 116.898 119.070 -0.535 0.000 2.567 175 H HA -0.246 nan 4.556 nan 0.000 0.276 175 H C 0.178 175.360 175.328 -0.244 0.000 1.016 175 H CA 0.536 56.355 56.048 -0.382 0.000 1.186 175 H CB -0.308 29.206 29.762 -0.413 0.000 1.351 175 H HN -0.109 7.560 8.280 -0.763 0.154 0.605 176 A N -2.272 120.429 122.820 -0.199 0.000 2.070 176 A HA -0.168 nan 4.320 nan 0.000 0.220 176 A C 0.150 177.659 177.584 -0.124 0.000 1.159 176 A CA 1.000 52.962 52.037 -0.126 0.000 0.656 176 A CB 0.303 19.171 19.000 -0.221 0.000 0.800 176 A HN -0.615 7.248 8.150 -0.417 0.037 0.453 177 L N -2.480 118.670 121.223 -0.121 0.000 2.371 177 L HA -0.172 nan 4.340 nan 0.000 0.272 177 L C 1.021 177.877 176.870 -0.024 0.000 1.124 177 L CA 0.177 54.980 54.840 -0.063 0.000 0.816 177 L CB 0.272 42.309 42.059 -0.038 0.000 1.129 177 L HN -0.677 7.299 8.230 -0.149 0.164 0.448 178 G N 3.752 112.544 108.800 -0.013 0.000 2.547 178 G HA2 -0.408 nan 3.960 nan 0.000 0.271 178 G HA3 -0.408 nan 3.960 nan 0.000 0.271 178 G C -2.439 172.431 174.900 -0.050 0.000 1.209 178 G CA 0.775 45.874 45.100 -0.001 0.000 0.959 178 G HN 0.825 8.987 8.290 -0.015 0.119 0.563 179 K N -2.022 118.326 120.400 -0.086 0.000 2.658 179 K HA 0.408 nan 4.320 nan 0.000 0.293 179 K C -1.916 174.493 176.600 -0.319 0.000 1.026 179 K CA -1.503 54.661 56.287 -0.206 0.000 0.871 179 K CB 2.683 35.024 32.500 -0.266 0.000 1.524 179 K HN -0.344 7.901 8.250 -0.008 0.000 0.400 180 T N -2.517 111.878 114.554 -0.265 0.000 2.909 180 T HA 0.429 nan 4.350 nan 0.000 0.286 180 T C -0.222 174.276 174.700 -0.336 0.000 1.002 180 T CA -1.349 60.642 62.100 -0.182 0.000 1.074 180 T CB 1.013 69.876 68.868 -0.009 0.000 0.984 180 T HN 0.403 8.531 8.240 -0.186 0.000 0.495 181 H N 2.959 122.053 119.070 0.039 0.000 2.646 181 H HA 0.416 nan 4.556 nan 0.000 0.328 181 H C 0.021 175.366 175.328 0.028 0.000 0.998 181 H CA -1.109 54.950 56.048 0.019 0.000 1.225 181 H CB 1.127 30.890 29.762 0.001 0.000 1.457 181 H HN 0.490 8.856 8.280 0.142 0.000 0.505 182 L N 6.375 127.647 121.223 0.082 0.000 2.043 182 L HA -0.405 nan 4.340 nan 0.000 0.212 182 L C 0.864 177.754 176.870 0.033 0.000 1.075 182 L CA 4.157 59.017 54.840 0.033 0.000 0.752 182 L CB 0.294 42.353 42.059 -0.000 0.000 0.891 182 L HN 0.245 8.846 8.230 0.053 -0.340 0.432 183 K N -2.627 117.804 120.400 0.052 0.000 2.439 183 K HA -0.246 nan 4.320 nan 0.000 0.197 183 K C 0.809 177.434 176.600 0.042 0.000 1.041 183 K CA 2.337 58.644 56.287 0.034 0.000 0.970 183 K CB -0.428 32.090 32.500 0.029 0.000 0.773 183 K HN 0.263 8.555 8.250 0.069 0.000 0.479 184 N N -2.176 116.569 118.700 0.075 0.000 2.278 184 N HA -0.010 nan 4.740 nan 0.000 0.181 184 N C 0.857 176.418 175.510 0.085 0.000 1.023 184 N CA 2.189 55.280 53.050 0.070 0.000 0.862 184 N CB 0.850 39.387 38.487 0.084 0.000 1.003 184 N HN -0.455 7.861 8.380 0.116 0.133 0.431 185 S N -4.144 111.626 115.700 0.117 0.000 2.632 185 S HA 0.153 nan 4.470 nan 0.000 0.237 185 S C 0.643 175.276 174.600 0.056 0.000 1.037 185 S CA 0.083 58.374 58.200 0.153 0.000 1.009 185 S CB 2.982 66.350 63.200 0.280 0.000 0.974 185 S HN -0.309 8.079 8.310 0.131 0.000 0.544 186 G N 1.851 110.615 108.800 -0.059 0.000 2.136 186 G HA2 -0.377 nan 3.960 nan 0.000 0.242 186 G HA3 -0.377 nan 3.960 nan 0.000 0.242 186 G C -1.717 172.836 174.900 -0.577 0.000 0.989 186 G CA 0.859 45.794 45.100 -0.274 0.000 0.682 186 G HN 0.042 8.228 8.290 -0.003 0.102 0.522 187 Y N -2.466 117.836 120.300 0.003 0.000 2.499 187 Y HA 0.254 nan 4.550 nan 0.000 0.347 187 Y C -1.734 174.153 175.900 -0.022 0.000 0.987 187 Y CA -1.827 56.266 58.100 -0.011 0.000 1.044 187 Y CB 2.771 41.224 38.460 -0.013 0.000 1.245 187 Y HN -0.863 7.395 8.280 0.062 0.060 0.461 188 E N 1.229 121.502 120.200 0.122 0.000 2.275 188 E HA 0.261 nan 4.350 nan 0.000 0.270 188 E C -1.293 175.326 176.600 0.031 0.000 0.882 188 E CA -1.513 54.910 56.400 0.039 0.000 0.758 188 E CB 3.540 33.248 29.700 0.013 0.000 1.195 188 E HN 0.093 8.833 8.360 0.157 -0.286 0.419 189 G N 3.983 112.770 108.800 -0.022 0.000 2.406 189 G HA2 -0.156 nan 3.960 nan 0.000 0.680 189 G HA3 -0.156 nan 3.960 nan 0.000 0.680 189 G C -3.290 171.599 174.900 -0.018 0.000 1.338 189 G CA -0.599 44.503 45.100 0.003 0.000 0.941 189 G HN -0.197 8.043 8.290 -0.084 0.000 0.633 190 P HA 0.542 nan 4.420 nan 0.000 0.283 190 P C -0.565 176.763 177.300 0.048 0.000 1.278 190 P CA -1.331 61.773 63.100 0.005 0.000 0.834 190 P CB 1.468 33.175 31.700 0.011 0.000 1.150 191 G N -2.576 106.201 108.800 -0.039 0.000 3.233 191 G HA2 0.069 nan 3.960 nan 0.000 0.234 191 G HA3 0.069 nan 3.960 nan 0.000 0.234 191 G C -1.580 173.104 174.900 -0.361 0.000 1.137 191 G CA -0.692 44.379 45.100 -0.049 0.000 0.763 191 G HN 0.546 8.795 8.290 -0.067 0.000 0.549 192 G N -2.561 105.869 108.800 -0.616 0.000 2.349 192 G HA2 -0.024 nan 3.960 nan 0.000 0.294 192 G HA3 -0.024 nan 3.960 nan 0.000 0.294 192 G C -1.763 172.823 174.900 -0.523 0.000 1.380 192 G CA 0.156 44.663 45.100 -0.989 0.000 0.811 192 G HN -1.007 7.012 8.290 -0.344 0.064 0.519 193 A N -1.179 121.464 122.820 -0.296 0.000 1.903 193 A HA 0.027 nan 4.320 nan 0.000 0.213 193 A C 0.695 178.264 177.584 -0.024 0.000 1.185 193 A CA 1.564 53.593 52.037 -0.013 0.000 0.628 193 A CB 0.832 19.884 19.000 0.086 0.000 0.830 193 A HN 0.081 8.227 8.150 -0.365 -0.215 0.446 194 A N -0.790 122.001 122.820 -0.048 0.000 3.004 194 A HA 0.168 nan 4.320 nan 0.000 0.286 194 A C -0.869 176.692 177.584 -0.039 0.000 1.632 194 A CA -0.833 51.191 52.037 -0.022 0.000 1.339 194 A CB -1.742 17.253 19.000 -0.009 0.000 1.136 194 A HN -0.521 7.971 8.150 -0.075 -0.387 0.577 195 N N -0.146 118.536 118.700 -0.031 0.000 2.276 195 N HA -0.052 nan 4.740 nan 0.000 0.212 195 N C -0.728 174.777 175.510 -0.009 0.000 1.127 195 N CA 0.560 53.588 53.050 -0.037 0.000 0.834 195 N CB 0.085 38.544 38.487 -0.045 0.000 1.014 195 N HN -0.293 8.024 8.380 -0.020 0.051 0.491 196 N N -3.156 115.552 118.700 0.013 0.000 2.307 196 N HA 0.083 nan 4.740 nan 0.000 0.248 196 N C -1.790 173.752 175.510 0.053 0.000 1.322 196 N CA -0.735 52.336 53.050 0.035 0.000 0.861 196 N CB -0.582 37.932 38.487 0.045 0.000 1.303 196 N HN -0.013 8.334 8.380 0.016 0.042 0.498 197 V N 0.232 120.177 119.914 0.051 0.000 2.540 197 V HA 0.283 nan 4.120 nan 0.000 0.302 197 V C -1.715 174.442 176.094 0.105 0.000 1.035 197 V CA -0.698 61.655 62.300 0.089 0.000 0.873 197 V CB 1.917 33.789 31.823 0.082 0.000 0.992 197 V HN -0.814 7.391 8.190 0.025 0.000 0.428 198 F N 9.535 129.486 119.950 0.002 0.000 2.487 198 F HA 0.022 nan 4.527 nan 0.000 0.364 198 F C -0.796 175.115 175.800 0.184 0.000 1.126 198 F CA 0.923 58.909 58.000 -0.024 0.000 1.135 198 F CB 0.260 39.133 39.000 -0.211 0.000 1.127 198 F HN 0.701 9.048 8.300 0.261 0.109 0.559 199 T N 3.033 117.589 114.554 0.003 0.000 2.804 199 T HA 0.262 nan 4.350 nan 0.000 0.290 199 T C -0.920 173.874 174.700 0.156 0.000 1.099 199 T CA -2.211 60.013 62.100 0.206 0.000 1.011 199 T CB 2.800 71.721 68.868 0.089 0.000 1.291 199 T HN -0.296 7.800 8.240 -0.239 0.000 0.523 200 N N -2.108 116.700 118.700 0.180 0.000 2.362 200 N HA -0.011 nan 4.740 nan 0.000 0.204 200 N C 0.828 176.330 175.510 -0.013 0.000 1.166 200 N CA -0.135 52.921 53.050 0.011 0.000 0.831 200 N CB -1.548 37.004 38.487 0.107 0.000 1.008 200 N HN 0.301 8.786 8.380 0.175 0.000 0.472 201 E N 1.328 121.497 120.200 -0.052 0.000 2.219 201 E HA -0.387 nan 4.350 nan 0.000 0.198 201 E C 0.922 177.460 176.600 -0.103 0.000 0.998 201 E CA 2.890 59.252 56.400 -0.063 0.000 0.818 201 E CB -0.372 29.280 29.700 -0.080 0.000 0.741 201 E HN -0.630 7.621 8.360 -0.036 0.088 0.477 202 F N -0.047 119.663 119.950 -0.399 0.000 2.126 202 F HA -0.407 nan 4.527 nan 0.000 0.299 202 F C 1.414 176.947 175.800 -0.445 0.000 1.096 202 F CA 3.441 61.149 58.000 -0.486 0.000 1.255 202 F CB -0.036 38.523 39.000 -0.735 0.000 0.997 202 F HN -0.125 8.074 8.300 -0.167 0.000 0.479 203 Y N -2.979 117.277 120.300 -0.075 0.000 2.220 203 Y HA -0.361 nan 4.550 nan 0.000 0.291 203 Y C 2.216 178.043 175.900 -0.122 0.000 1.129 203 Y CA 3.672 61.691 58.100 -0.135 0.000 1.161 203 Y CB -0.556 37.865 38.460 -0.064 0.000 0.997 203 Y HN -0.666 7.368 8.280 -0.389 0.013 0.522 204 L N -1.156 120.103 121.223 0.060 0.000 2.046 204 L HA -0.553 nan 4.340 nan 0.000 0.208 204 L C 2.125 179.012 176.870 0.029 0.000 1.077 204 L CA 3.170 58.032 54.840 0.036 0.000 0.747 204 L CB -0.611 41.467 42.059 0.030 0.000 0.896 204 L HN -0.599 7.677 8.230 0.078 0.000 0.432 205 N N -0.831 117.879 118.700 0.017 0.000 2.142 205 N HA -0.245 nan 4.740 nan 0.000 0.186 205 N C 2.443 178.144 175.510 0.318 0.000 1.023 205 N CA 2.828 55.963 53.050 0.141 0.000 0.852 205 N CB -0.558 38.018 38.487 0.148 0.000 0.998 205 N HN -0.083 8.276 8.380 -0.037 0.000 0.424 206 L N 0.247 121.503 121.223 0.056 0.000 2.012 206 L HA -0.271 nan 4.340 nan 0.000 0.210 206 L C 2.319 179.274 176.870 0.142 0.000 1.073 206 L CA 3.291 58.125 54.840 -0.010 0.000 0.748 206 L CB -0.250 41.550 42.059 -0.432 0.000 0.891 206 L HN -0.268 7.856 8.230 -0.176 0.000 0.431 207 L N -2.519 118.733 121.223 0.048 0.000 2.240 207 L HA -0.299 nan 4.340 nan 0.000 0.211 207 L C 1.435 178.337 176.870 0.053 0.000 1.106 207 L CA 2.504 57.365 54.840 0.036 0.000 0.793 207 L CB -0.154 41.909 42.059 0.007 0.000 0.927 207 L HN -0.287 7.947 8.230 0.007 0.000 0.446 208 N N -4.164 114.569 118.700 0.054 0.000 2.282 208 N HA 0.026 nan 4.740 nan 0.000 0.185 208 N C -0.138 175.331 175.510 -0.067 0.000 1.099 208 N CA 0.541 53.593 53.050 0.003 0.000 0.878 208 N CB 1.195 39.684 38.487 0.004 0.000 0.993 208 N HN -0.133 8.292 8.380 0.075 0.000 0.481 209 E N -0.159 119.958 120.200 -0.139 0.000 2.314 209 E HA 0.051 nan 4.350 nan 0.000 0.262 209 E C -0.897 175.360 176.600 -0.573 0.000 1.093 209 E CA -0.565 55.552 56.400 -0.472 0.000 0.908 209 E CB 1.155 30.275 29.700 -0.967 0.000 1.091 209 E HN -0.592 7.778 8.360 0.016 0.000 0.425 210 D N 2.247 122.323 120.400 -0.540 0.000 2.441 210 D HA 0.070 nan 4.640 nan 0.000 0.221 210 D C -1.096 175.003 176.300 -0.336 0.000 1.156 210 D CA -1.272 52.542 54.000 -0.309 0.000 0.896 210 D CB -0.456 40.233 40.800 -0.185 0.000 1.028 210 D HN 0.159 8.224 8.370 -0.508 0.000 0.509 211 W N 2.042 123.424 121.300 0.137 0.000 2.315 211 W HA 0.127 nan 4.660 nan 0.000 0.316 211 W C -0.309 176.376 176.519 0.277 0.000 1.211 211 W CA -1.032 56.443 57.345 0.217 0.000 1.201 211 W CB 1.258 30.876 29.460 0.264 0.000 1.184 211 W HN -0.465 7.738 8.180 0.038 0.000 0.544 212 K N 2.295 122.976 120.400 0.468 0.000 2.413 212 K HA 0.288 nan 4.320 nan 0.000 0.257 212 K C -1.303 175.319 176.600 0.036 0.000 0.946 212 K CA -1.371 55.061 56.287 0.243 0.000 0.823 212 K CB 3.026 35.587 32.500 0.102 0.000 1.109 212 K HN 0.704 9.143 8.250 0.499 0.111 0.427 213 L N 6.480 127.497 121.223 -0.342 0.000 2.485 213 L HA 0.055 nan 4.340 nan 0.000 0.279 213 L C -0.696 175.930 176.870 -0.407 0.000 1.124 213 L CA 0.665 54.990 54.840 -0.858 0.000 0.888 213 L CB 0.088 41.431 42.059 -1.193 0.000 1.217 213 L HN 0.424 8.547 8.230 -0.178 0.000 0.464 214 E N 7.133 127.153 120.200 -0.301 0.000 2.355 214 E HA 0.394 nan 4.350 nan 0.000 0.261 214 E C -2.123 174.385 176.600 -0.153 0.000 0.943 214 E CA -2.003 54.294 56.400 -0.172 0.000 0.806 214 E CB 3.634 33.279 29.700 -0.090 0.000 1.286 214 E HN 0.577 8.744 8.360 -0.321 0.000 0.424 215 K N 0.271 120.606 120.400 -0.108 0.000 2.206 215 K HA 0.333 nan 4.320 nan 0.000 0.264 215 K C -0.963 175.594 176.600 -0.073 0.000 0.967 215 K CA -1.035 55.196 56.287 -0.094 0.000 0.844 215 K CB 1.418 33.867 32.500 -0.085 0.000 1.099 215 K HN 0.038 8.232 8.250 -0.093 0.000 0.441 216 N N 6.667 125.322 118.700 -0.075 0.000 2.413 216 N HA 0.131 nan 4.740 nan 0.000 0.266 216 N C 0.720 176.187 175.510 -0.071 0.000 1.238 216 N CA -0.883 52.128 53.050 -0.064 0.000 0.972 216 N CB 0.818 39.267 38.487 -0.063 0.000 1.210 216 N HN 0.490 8.817 8.380 -0.088 0.000 0.547 217 D N -1.351 119.014 120.400 -0.059 0.000 2.309 217 D HA -0.228 nan 4.640 nan 0.000 0.212 217 D C 0.039 176.298 176.300 -0.067 0.000 0.968 217 D CA 3.054 57.021 54.000 -0.054 0.000 0.882 217 D CB -0.566 40.210 40.800 -0.039 0.000 0.918 217 D HN 0.563 8.904 8.370 -0.048 0.000 0.503 218 A N -2.461 120.302 122.820 -0.096 0.000 2.275 218 A HA -0.016 nan 4.320 nan 0.000 0.212 218 A C -0.218 177.293 177.584 -0.122 0.000 1.201 218 A CA -0.234 51.734 52.037 -0.114 0.000 0.843 218 A CB 0.381 19.284 19.000 -0.162 0.000 0.873 218 A HN -0.496 7.733 8.150 -0.110 -0.145 0.492 219 N N -4.209 114.425 118.700 -0.109 0.000 2.776 219 N HA -0.452 nan 4.740 nan 0.000 0.250 219 N C -1.631 173.809 175.510 -0.116 0.000 1.112 219 N CA 1.390 54.382 53.050 -0.097 0.000 0.733 219 N CB -0.985 37.457 38.487 -0.074 0.000 1.097 219 N HN 0.235 8.381 8.380 -0.100 0.173 0.558 220 N N -0.746 117.854 118.700 -0.166 0.000 2.456 220 N HA 0.200 nan 4.740 nan 0.000 0.296 220 N C -1.451 173.995 175.510 -0.107 0.000 1.102 220 N CA -0.406 52.537 53.050 -0.179 0.000 0.924 220 N CB 2.249 40.480 38.487 -0.427 0.000 1.186 220 N HN -0.342 8.188 8.380 -0.186 -0.261 0.492 221 E N 1.169 121.336 120.200 -0.055 0.000 2.313 221 E HA 0.207 nan 4.350 nan 0.000 0.276 221 E C -1.217 175.377 176.600 -0.009 0.000 1.031 221 E CA 0.682 57.029 56.400 -0.089 0.000 0.857 221 E CB 0.911 30.515 29.700 -0.159 0.000 1.040 221 E HN 0.277 8.614 8.360 -0.038 0.000 0.408 222 Q N 0.204 119.937 119.800 -0.113 0.000 2.462 222 Q HA 0.569 nan 4.340 nan 0.000 0.285 222 Q C -1.472 174.382 176.000 -0.244 0.000 1.035 222 Q CA -2.375 53.388 55.803 -0.067 0.000 0.799 222 Q CB 3.487 32.317 28.738 0.153 0.000 1.452 222 Q HN 0.457 8.621 8.270 -0.176 0.000 0.404 223 W N 0.346 121.607 121.300 -0.064 0.000 2.358 223 W HA 0.051 nan 4.660 nan 0.000 0.307 223 W C -0.702 175.938 176.519 0.202 0.000 1.203 223 W CA 0.163 57.480 57.345 -0.045 0.000 1.279 223 W CB 0.453 29.727 29.460 -0.310 0.000 1.264 223 W HN 0.465 8.757 8.180 0.187 0.000 0.474 224 D N 5.452 126.105 120.400 0.421 0.000 2.248 224 D HA 0.753 nan 4.640 nan 0.000 0.246 224 D C -0.956 175.539 176.300 0.326 0.000 1.027 224 D CA -1.073 53.152 54.000 0.375 0.000 0.853 224 D CB 3.378 44.270 40.800 0.153 0.000 1.243 224 D HN 0.695 9.123 8.370 0.273 0.105 0.462 225 S N 1.007 116.789 115.700 0.136 0.000 2.607 225 S HA 0.619 nan 4.470 nan 0.000 0.303 225 S C 1.107 175.587 174.600 -0.199 0.000 1.086 225 S CA -1.655 56.419 58.200 -0.211 0.000 0.995 225 S CB 3.200 66.003 63.200 -0.661 0.000 1.084 225 S HN 0.378 8.819 8.310 0.219 0.000 0.507 226 K N 3.731 123.993 120.400 -0.230 0.000 2.160 226 K HA -0.257 nan 4.320 nan 0.000 0.206 226 K C 1.275 177.722 176.600 -0.255 0.000 1.047 226 K CA 2.750 58.920 56.287 -0.195 0.000 0.930 226 K CB -0.559 31.837 32.500 -0.173 0.000 0.720 226 K HN 0.749 8.852 8.250 -0.244 0.000 0.450 227 S N -2.403 113.052 115.700 -0.408 0.000 2.547 227 S HA -0.068 nan 4.470 nan 0.000 0.235 227 S C 0.574 174.805 174.600 -0.614 0.000 0.980 227 S CA 0.635 58.485 58.200 -0.583 0.000 0.941 227 S CB 0.305 62.913 63.200 -0.987 0.000 0.763 227 S HN -0.409 7.607 8.310 -0.440 0.030 0.532 228 G N -1.653 106.917 108.800 -0.384 0.000 2.141 228 G HA2 -0.367 nan 3.960 nan 0.000 0.231 228 G HA3 -0.367 nan 3.960 nan 0.000 0.231 228 G C -0.831 174.091 174.900 0.036 0.000 0.984 228 G CA 0.056 45.058 45.100 -0.163 0.000 0.660 228 G HN -0.311 7.619 8.290 -0.301 0.179 0.525 229 Y N -1.219 119.122 120.300 0.069 0.000 2.432 229 Y HA 0.305 nan 4.550 nan 0.000 0.322 229 Y C -1.396 174.694 175.900 0.317 0.000 1.246 229 Y CA -3.044 55.159 58.100 0.173 0.000 1.268 229 Y CB 1.224 39.824 38.460 0.234 0.000 1.276 229 Y HN -0.875 7.174 8.280 -0.305 0.048 0.499 230 M N -2.793 117.095 119.600 0.481 0.000 2.550 230 M HA 0.819 nan 4.480 nan 0.000 0.292 230 M C -1.553 174.830 176.300 0.138 0.000 1.221 230 M CA -1.003 54.509 55.300 0.353 0.000 0.873 230 M CB 4.192 36.910 32.600 0.197 0.000 1.727 230 M HN 0.312 8.836 8.290 0.390 0.000 0.459 231 M N -0.468 119.120 119.600 -0.020 0.000 2.457 231 M HA 0.419 nan 4.480 nan 0.000 0.300 231 M C -1.507 174.781 176.300 -0.020 0.000 1.141 231 M CA -1.611 53.581 55.300 -0.179 0.000 0.901 231 M CB 4.671 36.927 32.600 -0.573 0.000 1.687 231 M HN 0.834 9.080 8.290 0.105 0.108 0.449 232 L N 1.714 122.894 121.223 -0.071 0.000 2.453 232 L HA 0.177 nan 4.340 nan 0.000 0.261 232 L C -0.969 175.946 176.870 0.074 0.000 1.179 232 L CA -1.380 53.383 54.840 -0.129 0.000 0.813 232 L CB -1.058 40.839 42.059 -0.269 0.000 1.110 232 L HN 0.055 8.516 8.230 -0.089 -0.284 0.466 233 P HA -0.263 nan 4.420 nan 0.000 0.215 233 P C 1.175 178.587 177.300 0.187 0.000 1.157 233 P CA 3.147 66.398 63.100 0.252 0.000 0.874 233 P CB 0.081 31.884 31.700 0.171 0.000 0.790 234 T N -6.449 108.172 114.554 0.111 0.000 2.881 234 T HA -0.278 nan 4.350 nan 0.000 0.270 234 T C 1.534 176.312 174.700 0.129 0.000 1.068 234 T CA 3.461 65.647 62.100 0.142 0.000 1.131 234 T CB -0.860 68.101 68.868 0.154 0.000 0.871 234 T HN -0.043 8.228 8.240 0.052 0.000 0.479 235 D N 1.668 122.135 120.400 0.111 0.000 2.103 235 D HA -0.162 nan 4.640 nan 0.000 0.199 235 D C 1.907 178.177 176.300 -0.051 0.000 0.978 235 D CA 2.816 56.885 54.000 0.115 0.000 0.829 235 D CB -0.294 40.578 40.800 0.120 0.000 0.981 235 D HN -0.548 7.735 8.370 0.085 0.139 0.464 236 Y N 1.585 121.723 120.300 -0.269 0.000 2.352 236 Y HA -0.372 nan 4.550 nan 0.000 0.292 236 Y C 1.796 177.519 175.900 -0.293 0.000 1.136 236 Y CA 3.013 60.816 58.100 -0.494 0.000 1.227 236 Y CB 0.203 38.134 38.460 -0.881 0.000 0.991 236 Y HN -0.144 8.170 8.280 0.057 0.000 0.545 237 S N 0.521 116.222 115.700 0.001 0.000 2.413 237 S HA -0.436 nan 4.470 nan 0.000 0.237 237 S C 1.275 175.895 174.600 0.033 0.000 1.044 237 S CA 4.442 62.676 58.200 0.057 0.000 1.024 237 S CB -0.507 62.793 63.200 0.166 0.000 0.829 237 S HN -0.100 8.262 8.310 0.103 0.010 0.475 238 L N -2.920 118.272 121.223 -0.053 0.000 2.275 238 L HA -0.219 nan 4.340 nan 0.000 0.215 238 L C 0.622 177.455 176.870 -0.063 0.000 1.119 238 L CA 2.233 57.056 54.840 -0.027 0.000 0.790 238 L CB -0.027 41.978 42.059 -0.090 0.000 0.919 238 L HN -0.755 7.388 8.230 -0.091 0.032 0.443 239 I N -8.528 111.882 120.570 -0.266 0.000 3.860 239 I HA -0.004 nan 4.170 nan 0.000 0.319 239 I C 1.156 177.129 176.117 -0.239 0.000 1.279 239 I CA 1.024 62.157 61.300 -0.279 0.000 1.220 239 I CB 0.294 38.033 38.000 -0.435 0.000 1.027 239 I HN -0.446 7.501 8.210 -0.415 0.014 0.428 240 Q N -0.057 119.618 119.800 -0.208 0.000 2.245 240 Q HA -0.147 nan 4.340 nan 0.000 0.201 240 Q C 0.199 176.189 176.000 -0.017 0.000 0.955 240 Q CA 1.597 57.345 55.803 -0.092 0.000 0.870 240 Q CB 0.404 29.128 28.738 -0.024 0.000 0.945 240 Q HN -0.524 7.455 8.270 -0.234 0.150 0.461 241 D N -0.539 119.875 120.400 0.023 0.000 2.198 241 D HA 0.359 nan 4.640 nan 0.000 0.245 241 D C -1.114 175.175 176.300 -0.019 0.000 1.079 241 D CA -3.094 50.907 54.000 0.001 0.000 0.854 241 D CB 2.533 43.331 40.800 -0.003 0.000 1.148 241 D HN -0.692 7.710 8.370 0.054 0.000 0.456 242 P HA -0.129 nan 4.420 nan 0.000 0.217 242 P C 1.478 178.752 177.300 -0.043 0.000 1.150 242 P CA 2.151 65.227 63.100 -0.039 0.000 0.832 242 P CB 0.584 32.261 31.700 -0.039 0.000 0.787 243 K N -0.751 119.599 120.400 -0.084 0.000 2.002 243 K HA -0.272 nan 4.320 nan 0.000 0.209 243 K C 2.927 179.536 176.600 0.015 0.000 1.048 243 K CA 3.135 59.375 56.287 -0.078 0.000 0.930 243 K CB -0.363 32.043 32.500 -0.157 0.000 0.714 243 K HN -0.640 7.622 8.250 -0.120 -0.084 0.438 244 Y N -1.457 118.823 120.300 -0.035 0.000 2.128 244 Y HA -0.306 nan 4.550 nan 0.000 0.284 244 Y C 2.308 178.171 175.900 -0.063 0.000 1.154 244 Y CA 1.048 59.126 58.100 -0.037 0.000 1.149 244 Y CB -0.578 37.874 38.460 -0.013 0.000 0.976 244 Y HN -0.526 7.971 8.280 -0.137 -0.299 0.505 245 L N -1.050 120.233 121.223 0.100 0.000 2.042 245 L HA -0.452 nan 4.340 nan 0.000 0.210 245 L C 1.511 178.361 176.870 -0.033 0.000 1.076 245 L CA 3.305 58.147 54.840 0.003 0.000 0.749 245 L CB -0.400 41.642 42.059 -0.029 0.000 0.893 245 L HN 0.237 8.532 8.230 0.109 0.000 0.432 246 S N -1.308 114.369 115.700 -0.038 0.000 2.453 246 S HA -0.256 nan 4.470 nan 0.000 0.231 246 S C 2.198 176.720 174.600 -0.131 0.000 1.005 246 S CA 3.148 61.305 58.200 -0.071 0.000 0.949 246 S CB -0.677 62.487 63.200 -0.060 0.000 0.774 246 S HN -0.355 7.942 8.310 -0.022 0.000 0.510 247 I N 1.775 122.255 120.570 -0.151 0.000 2.406 247 I HA -0.338 nan 4.170 nan 0.000 0.249 247 I C 1.143 176.971 176.117 -0.482 0.000 1.122 247 I CA 3.473 64.565 61.300 -0.346 0.000 1.431 247 I CB -0.154 37.682 38.000 -0.274 0.000 1.087 247 I HN -0.690 7.388 8.210 -0.070 0.090 0.424 248 V N 1.307 121.081 119.914 -0.233 0.000 2.282 248 V HA -0.618 nan 4.120 nan 0.000 0.249 248 V C 1.941 177.940 176.094 -0.159 0.000 1.057 248 V CA 5.228 67.452 62.300 -0.127 0.000 1.032 248 V CB -1.222 30.623 31.823 0.037 0.000 0.645 248 V HN 0.086 8.205 8.190 -0.118 0.000 0.447 249 K N -2.206 118.117 120.400 -0.129 0.000 2.097 249 K HA -0.414 nan 4.320 nan 0.000 0.206 249 K C 2.027 178.553 176.600 -0.123 0.000 1.049 249 K CA 3.708 59.936 56.287 -0.097 0.000 0.933 249 K CB -0.414 32.041 32.500 -0.075 0.000 0.717 249 K HN -0.179 8.003 8.250 -0.114 0.000 0.442 250 E N -0.081 119.994 120.200 -0.209 0.000 2.077 250 E HA -0.313 nan 4.350 nan 0.000 0.193 250 E C 2.608 179.148 176.600 -0.100 0.000 0.989 250 E CA 3.038 59.324 56.400 -0.190 0.000 0.800 250 E CB -0.006 29.511 29.700 -0.304 0.000 0.746 250 E HN -0.677 7.452 8.360 -0.252 0.080 0.452 251 Y N -2.985 117.153 120.300 -0.269 0.000 2.395 251 Y HA -0.145 nan 4.550 nan 0.000 0.293 251 Y C 2.115 177.847 175.900 -0.279 0.000 1.123 251 Y CA 0.041 57.907 58.100 -0.390 0.000 1.227 251 Y CB -0.494 37.347 38.460 -1.033 0.000 1.012 251 Y HN -0.176 7.772 8.280 -0.554 0.000 0.552 252 A N -0.997 121.798 122.820 -0.041 0.000 2.014 252 A HA -0.100 nan 4.320 nan 0.000 0.218 252 A C 1.011 178.611 177.584 0.027 0.000 1.163 252 A CA 1.998 54.062 52.037 0.044 0.000 0.652 252 A CB -0.090 18.943 19.000 0.054 0.000 0.808 252 A HN 0.010 8.097 8.150 -0.106 0.000 0.449 253 N N -3.614 115.092 118.700 0.010 0.000 2.336 253 N HA -0.037 nan 4.740 nan 0.000 0.189 253 N C -0.758 174.767 175.510 0.026 0.000 1.113 253 N CA 0.721 53.778 53.050 0.012 0.000 0.858 253 N CB 1.136 39.622 38.487 -0.003 0.000 0.970 253 N HN -0.451 7.910 8.380 -0.010 0.013 0.471 254 D N -0.134 120.299 120.400 0.054 0.000 2.337 254 D HA 0.224 nan 4.640 nan 0.000 0.238 254 D C -0.441 175.912 176.300 0.089 0.000 1.331 254 D CA -0.365 53.673 54.000 0.064 0.000 0.967 254 D CB 0.724 41.573 40.800 0.082 0.000 1.382 254 D HN -0.730 7.522 8.370 0.068 0.159 0.549 255 Q N 3.704 123.520 119.800 0.028 0.000 2.170 255 Q HA -0.384 nan 4.340 nan 0.000 0.203 255 Q C 1.248 177.185 176.000 -0.105 0.000 0.976 255 Q CA 3.155 58.952 55.803 -0.011 0.000 0.858 255 Q CB -0.047 28.605 28.738 -0.144 0.000 0.907 255 Q HN 0.280 8.552 8.270 0.003 0.000 0.433 256 D N 0.635 120.979 120.400 -0.094 0.000 2.117 256 D HA -0.280 nan 4.640 nan 0.000 0.197 256 D C 1.889 178.230 176.300 0.068 0.000 0.987 256 D CA 3.243 57.217 54.000 -0.043 0.000 0.829 256 D CB -0.084 40.702 40.800 -0.023 0.000 0.961 256 D HN 0.045 8.370 8.370 -0.075 0.000 0.460 257 K N -0.112 120.348 120.400 0.100 0.000 2.026 257 K HA -0.273 nan 4.320 nan 0.000 0.208 257 K C 1.914 178.585 176.600 0.118 0.000 1.048 257 K CA 2.347 58.722 56.287 0.146 0.000 0.929 257 K CB -0.474 32.154 32.500 0.214 0.000 0.713 257 K HN -0.773 7.802 8.250 0.088 -0.272 0.439 258 F N 1.074 120.959 119.950 -0.108 0.000 2.043 258 F HA -0.434 nan 4.527 nan 0.000 0.297 258 F C 1.776 177.617 175.800 0.070 0.000 1.118 258 F CA 2.659 60.419 58.000 -0.399 0.000 1.202 258 F CB -0.353 38.521 39.000 -0.210 0.000 0.965 258 F HN -0.548 7.891 8.300 0.231 0.000 0.482 259 F N -1.997 117.738 119.950 -0.357 0.000 2.091 259 F HA -0.520 nan 4.527 nan 0.000 0.299 259 F C 2.336 178.029 175.800 -0.179 0.000 1.103 259 F CA 2.914 60.717 58.000 -0.328 0.000 1.228 259 F CB -0.851 38.078 39.000 -0.118 0.000 0.984 259 F HN 0.116 8.614 8.300 0.330 0.000 0.477 260 K N -1.031 119.423 120.400 0.091 0.000 2.057 260 K HA -0.397 nan 4.320 nan 0.000 0.207 260 K C 2.431 179.043 176.600 0.019 0.000 1.049 260 K CA 3.712 60.028 56.287 0.050 0.000 0.931 260 K CB -0.256 32.282 32.500 0.065 0.000 0.714 260 K HN -0.188 8.143 8.250 0.135 0.000 0.440 261 D N -0.531 119.878 120.400 0.014 0.000 2.183 261 D HA -0.145 nan 4.640 nan 0.000 0.203 261 D C 2.126 178.425 176.300 -0.001 0.000 0.969 261 D CA 2.861 56.879 54.000 0.030 0.000 0.842 261 D CB -0.400 40.465 40.800 0.108 0.000 0.957 261 D HN -0.152 8.225 8.370 0.011 0.000 0.484 262 F N 1.321 121.138 119.950 -0.221 0.000 2.102 262 F HA -0.365 nan 4.527 nan 0.000 0.298 262 F C 1.263 176.992 175.800 -0.119 0.000 1.105 262 F CA 3.495 61.365 58.000 -0.217 0.000 1.239 262 F CB 0.508 39.223 39.000 -0.474 0.000 0.991 262 F HN 0.217 8.461 8.300 -0.093 0.000 0.474 263 S N -0.581 115.103 115.700 -0.028 0.000 2.359 263 S HA -0.517 nan 4.470 nan 0.000 0.223 263 S C 2.200 176.763 174.600 -0.062 0.000 1.039 263 S CA 3.984 62.163 58.200 -0.035 0.000 1.042 263 S CB -0.294 62.894 63.200 -0.020 0.000 0.915 263 S HN -0.218 8.104 8.310 0.020 0.000 0.439 264 K N 0.488 120.855 120.400 -0.056 0.000 2.057 264 K HA -0.312 nan 4.320 nan 0.000 0.207 264 K C 2.294 178.851 176.600 -0.072 0.000 1.049 264 K CA 3.055 59.310 56.287 -0.052 0.000 0.931 264 K CB -0.019 32.465 32.500 -0.027 0.000 0.714 264 K HN -0.697 7.530 8.250 -0.038 0.000 0.440 265 A N -0.965 121.792 122.820 -0.105 0.000 2.016 265 A HA -0.082 nan 4.320 nan 0.000 0.217 265 A C 2.134 179.651 177.584 -0.110 0.000 1.162 265 A CA 2.676 54.652 52.037 -0.102 0.000 0.662 265 A CB -0.677 18.260 19.000 -0.104 0.000 0.812 265 A HN -0.263 7.818 8.150 -0.115 0.000 0.450 266 F N 0.058 119.735 119.950 -0.456 0.000 2.206 266 F HA -0.275 nan 4.527 nan 0.000 0.298 266 F C 1.301 177.007 175.800 -0.156 0.000 1.090 266 F CA 2.057 59.816 58.000 -0.402 0.000 1.323 266 F CB 0.466 39.064 39.000 -0.670 0.000 1.028 266 F HN 0.462 8.574 8.300 -0.314 0.000 0.492 267 E N -0.029 120.117 120.200 -0.090 0.000 2.051 267 E HA -0.509 nan 4.350 nan 0.000 0.192 267 E C 1.863 178.385 176.600 -0.131 0.000 0.991 267 E CA 3.479 59.809 56.400 -0.117 0.000 0.799 267 E CB -0.172 29.481 29.700 -0.079 0.000 0.748 267 E HN -0.288 8.049 8.360 -0.038 0.000 0.449 268 K N -0.837 119.504 120.400 -0.099 0.000 2.063 268 K HA -0.334 nan 4.320 nan 0.000 0.208 268 K C 2.358 178.899 176.600 -0.098 0.000 1.048 268 K CA 3.053 59.288 56.287 -0.087 0.000 0.928 268 K CB -0.079 32.392 32.500 -0.049 0.000 0.713 268 K HN -0.548 7.651 8.250 -0.085 0.000 0.442 269 L N -1.124 120.060 121.223 -0.066 0.000 2.013 269 L HA -0.328 nan 4.340 nan 0.000 0.212 269 L C 1.690 178.506 176.870 -0.089 0.000 1.073 269 L CA 2.933 57.765 54.840 -0.013 0.000 0.753 269 L CB -0.129 41.979 42.059 0.081 0.000 0.890 269 L HN -0.327 7.761 8.230 -0.057 0.108 0.432 270 L N -4.931 116.186 121.223 -0.176 0.000 2.291 270 L HA -0.276 nan 4.340 nan 0.000 0.214 270 L C 2.244 179.050 176.870 -0.106 0.000 1.120 270 L CA 2.201 56.948 54.840 -0.155 0.000 0.799 270 L CB -0.038 41.897 42.059 -0.207 0.000 0.925 270 L HN -0.400 7.613 8.230 -0.234 0.077 0.446 271 E N -1.775 118.354 120.200 -0.120 0.000 2.452 271 E HA -0.067 nan 4.350 nan 0.000 0.197 271 E C 0.019 176.495 176.600 -0.207 0.000 1.022 271 E CA 0.229 56.591 56.400 -0.063 0.000 0.890 271 E CB 0.516 30.227 29.700 0.018 0.000 0.918 271 E HN -0.278 7.866 8.360 -0.136 0.134 0.496 272 D N 0.768 120.919 120.400 -0.414 0.000 2.531 272 D HA -0.235 nan 4.640 nan 0.000 0.239 272 D C 0.411 176.078 176.300 -1.055 0.000 1.144 272 D CA 2.404 55.841 54.000 -0.937 0.000 0.869 272 D CB -0.027 39.953 40.800 -1.366 0.000 1.160 272 D HN -0.613 7.562 8.370 -0.324 0.000 0.484 273 G N 1.347 109.658 108.800 -0.815 0.000 2.234 273 G HA2 -0.361 nan 3.960 nan 0.000 0.235 273 G HA3 -0.361 nan 3.960 nan 0.000 0.235 273 G C -0.659 174.151 174.900 -0.149 0.000 0.997 273 G CA 0.330 45.279 45.100 -0.251 0.000 0.623 273 G HN 0.240 8.114 8.290 -0.694 0.000 0.514 274 I N 2.132 122.544 120.570 -0.263 0.000 2.342 274 I HA 0.006 nan 4.170 nan 0.000 0.291 274 I C -0.663 175.178 176.117 -0.459 0.000 1.010 274 I CA -0.342 60.715 61.300 -0.404 0.000 1.308 274 I CB 0.260 37.935 38.000 -0.542 0.000 1.400 274 I HN -0.514 7.442 8.210 -0.291 0.079 0.488 275 T N 9.197 123.500 114.554 -0.418 0.000 2.728 275 T HA 0.305 nan 4.350 nan 0.000 0.296 275 T C -1.226 173.245 174.700 -0.381 0.000 0.940 275 T CA -0.270 61.665 62.100 -0.275 0.000 1.013 275 T CB 0.223 68.996 68.868 -0.159 0.000 0.912 275 T HN 0.870 8.884 8.240 -0.376 0.000 0.484 276 F N 6.989 126.902 119.950 -0.061 0.000 2.361 276 F HA 0.279 nan 4.527 nan 0.000 0.364 276 F C -1.413 174.354 175.800 -0.054 0.000 1.120 276 F CA -3.198 54.761 58.000 -0.068 0.000 1.102 276 F CB -0.039 38.895 39.000 -0.110 0.000 1.183 276 F HN 0.191 8.554 8.300 0.105 0.000 0.476 277 P HA -0.026 nan 4.420 nan 0.000 0.266 277 P C 0.439 177.766 177.300 0.045 0.000 1.193 277 P CA -0.531 62.599 63.100 0.050 0.000 0.770 277 P CB 0.773 32.495 31.700 0.037 0.000 0.836 278 K N 2.142 122.555 120.400 0.022 0.000 2.442 278 K HA -0.144 nan 4.320 nan 0.000 0.198 278 K C 0.160 176.760 176.600 -0.000 0.000 1.042 278 K CA 2.001 58.292 56.287 0.007 0.000 0.958 278 K CB -0.299 32.200 32.500 -0.001 0.000 0.766 278 K HN 0.448 8.709 8.250 0.018 0.000 0.474 279 D N -3.080 117.326 120.400 0.009 0.000 2.340 279 D HA -0.070 nan 4.640 nan 0.000 0.220 279 D C -0.605 175.702 176.300 0.011 0.000 1.039 279 D CA -0.449 53.556 54.000 0.008 0.000 0.866 279 D CB -0.555 40.254 40.800 0.015 0.000 0.913 279 D HN -0.351 7.992 8.370 0.015 0.037 0.523 280 A N 1.866 124.695 122.820 0.014 0.000 2.445 280 A HA 0.040 nan 4.320 nan 0.000 0.242 280 A C -1.568 175.988 177.584 -0.048 0.000 1.075 280 A CA -1.337 50.707 52.037 0.011 0.000 0.777 280 A CB -0.372 18.662 19.000 0.057 0.000 1.013 280 A HN -0.431 7.548 8.150 0.017 0.181 0.493 281 P HA 0.010 nan 4.420 nan 0.000 0.269 281 P C -0.465 176.672 177.300 -0.272 0.000 1.215 281 P CA -0.406 62.623 63.100 -0.118 0.000 0.780 281 P CB 0.698 32.374 31.700 -0.041 0.000 0.898 282 S N 0.189 115.745 115.700 -0.240 0.000 2.563 282 S HA -0.016 nan 4.470 nan 0.000 0.269 282 S C -1.272 173.017 174.600 -0.519 0.000 1.364 282 S CA -0.349 57.667 58.200 -0.308 0.000 1.010 282 S CB -0.149 62.931 63.200 -0.199 0.000 0.877 282 S HN 0.015 8.237 8.310 -0.146 0.000 0.549 283 P HA -0.012 nan 4.420 nan 0.000 0.265 283 P C -1.439 175.622 177.300 -0.398 0.000 1.193 283 P CA -0.038 62.748 63.100 -0.525 0.000 0.765 283 P CB 0.397 31.875 31.700 -0.371 0.000 0.823 284 F N 3.584 123.412 119.950 -0.204 0.000 2.399 284 F HA 0.063 nan 4.527 nan 0.000 0.342 284 F C -0.200 175.341 175.800 -0.432 0.000 1.106 284 F CA -1.002 56.810 58.000 -0.313 0.000 1.196 284 F CB 0.905 39.662 39.000 -0.405 0.000 1.163 284 F HN 0.494 8.409 8.300 -0.642 0.000 0.547 285 I N 3.126 123.572 120.570 -0.207 0.000 2.330 285 I HA 0.162 nan 4.170 nan 0.000 0.286 285 I C -1.179 174.797 176.117 -0.236 0.000 1.025 285 I CA -1.611 59.572 61.300 -0.194 0.000 1.197 285 I CB -0.332 37.604 38.000 -0.107 0.000 1.358 285 I HN 0.444 8.563 8.210 -0.151 0.000 0.467 286 F N 6.235 126.207 119.950 0.036 0.000 2.412 286 F HA 0.087 nan 4.527 nan 0.000 0.348 286 F C -0.210 175.407 175.800 -0.305 0.000 1.102 286 F CA -1.022 56.860 58.000 -0.196 0.000 1.196 286 F CB 0.402 38.993 39.000 -0.682 0.000 1.144 286 F HN 0.405 8.566 8.300 -0.231 0.000 0.541 287 K N 3.789 124.159 120.400 -0.051 0.000 2.295 287 K HA 0.102 nan 4.320 nan 0.000 0.270 287 K C 0.007 176.524 176.600 -0.139 0.000 1.011 287 K CA 0.396 56.648 56.287 -0.060 0.000 0.953 287 K CB 0.455 32.966 32.500 0.019 0.000 0.956 287 K HN 0.298 8.598 8.250 0.083 0.000 0.477 288 T N -2.949 111.617 114.554 0.019 0.000 2.828 288 T HA 0.218 nan 4.350 nan 0.000 0.290 288 T C 1.438 176.231 174.700 0.155 0.000 1.019 288 T CA -1.256 60.940 62.100 0.160 0.000 1.031 288 T CB 1.581 70.538 68.868 0.150 0.000 1.001 288 T HN -0.071 8.503 8.240 0.032 -0.315 0.531 289 L N 1.087 122.427 121.223 0.195 0.000 2.043 289 L HA -0.438 nan 4.340 nan 0.000 0.212 289 L C 1.945 178.867 176.870 0.087 0.000 1.075 289 L CA 3.847 58.762 54.840 0.125 0.000 0.752 289 L CB -0.537 41.585 42.059 0.106 0.000 0.891 289 L HN -0.091 8.507 8.230 0.269 -0.206 0.432 290 E N -0.642 119.610 120.200 0.087 0.000 2.051 290 E HA -0.369 nan 4.350 nan 0.000 0.192 290 E C 2.770 179.406 176.600 0.060 0.000 0.991 290 E CA 3.100 59.541 56.400 0.068 0.000 0.799 290 E CB -0.478 29.264 29.700 0.069 0.000 0.748 290 E HN 0.160 8.573 8.360 0.101 0.007 0.449 291 E N -1.556 118.681 120.200 0.061 0.000 2.268 291 E HA -0.231 nan 4.350 nan 0.000 0.195 291 E C 2.059 178.686 176.600 0.046 0.000 0.995 291 E CA 2.072 58.501 56.400 0.049 0.000 0.836 291 E CB -0.159 29.567 29.700 0.045 0.000 0.763 291 E HN -0.393 7.931 8.360 0.072 0.079 0.491 292 Q N -3.423 116.408 119.800 0.052 0.000 2.425 292 Q HA -0.008 nan 4.340 nan 0.000 0.204 292 Q C 0.838 176.864 176.000 0.044 0.000 0.933 292 Q CA 0.053 55.885 55.803 0.048 0.000 0.939 292 Q CB 0.819 29.590 28.738 0.054 0.000 1.044 292 Q HN -0.427 7.750 8.270 0.061 0.129 0.513 293 G N -1.232 107.594 108.800 0.044 0.000 2.179 293 G HA2 -0.403 nan 3.960 nan 0.000 0.257 293 G HA3 -0.403 nan 3.960 nan 0.000 0.257 293 G C -0.603 174.321 174.900 0.039 0.000 1.010 293 G CA 0.644 45.768 45.100 0.039 0.000 0.736 293 G HN -0.410 7.727 8.290 0.048 0.182 0.513 294 L N 0.000 121.251 121.223 0.046 0.000 2.949 294 L HA 0.000 nan 4.340 nan 0.000 0.249 294 L CA 0.000 54.867 54.840 0.044 0.000 0.813 294 L CB 0.000 42.089 42.059 0.051 0.000 0.961 294 L HN 0.000 8.235 8.230 0.053 0.027 0.502